#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ikm n HIS 71 N 0.00 1.94 -3.44 2.89 -0.00 -1.26 -5.06 115.22 110.29 3ikm n HIS 71 Ca 0.00 0.52 -0.11 0.00 0.46 0.00 0.00 57.72 58.59 3ikm n HIS 71 Cb 0.00 -2.40 -0.02 0.00 -0.12 0.00 0.00 29.99 27.45 3ikm n HIS 71 CO 0.00 0.00 0.00 -0.80 0.46 0.00 0.00 176.34 176.00 3ikm s ASN 72 N 0.07 -0.52 0.28 0.26 0.01 -1.26 -4.31 114.94 109.46 3ikm s ASN 72 Ca 0.66 0.02 -0.15 0.00 -0.71 0.00 0.00 52.86 52.68 3ikm s ASN 72 Cb -0.68 0.54 0.01 0.00 0.41 0.00 0.00 41.25 41.54 3ikm s ASN 72 CO 0.53 -0.87 0.60 -2.16 -1.51 0.00 0.00 177.10 173.68 3ikm s PRO 73 N -3.52 1.73 -0.39 -0.60 0.04 -1.26 -5.08 135.00 125.91 3ikm s PRO 73 Ca 0.02 -1.21 0.08 0.00 0.04 0.00 0.00 61.00 59.93 3ikm s PRO 73 Cb -0.01 0.54 0.25 0.00 0.04 0.00 0.00 34.50 35.32 3ikm s PRO 73 CO -0.11 -0.76 0.53 1.28 0.04 0.00 0.00 177.00 177.97 3ikm n LEU 74 N -0.44 0.12 -0.39 -3.56 7.99 -1.26 -3.91 117.00 115.55 3ikm n LEU 74 Ca -0.03 -4.67 0.09 0.00 -0.01 0.00 0.00 56.01 51.40 3ikm n LEU 74 Cb 0.61 0.64 -0.01 0.00 -0.11 0.00 0.00 43.42 44.55 3ikm n LEU 74 CO 0.21 2.07 0.25 -0.67 -1.51 0.00 0.00 177.39 177.73 3ikm n ASP 75 N 1.41 1.74 -3.80 -1.43 -0.08 -1.26 -4.85 116.55 108.28 3ikm n ASP 75 Ca 0.21 -1.37 -0.09 0.00 -1.51 0.00 0.00 54.79 52.03 3ikm n ASP 75 Cb 0.53 0.53 -0.07 0.00 2.34 0.00 0.00 41.12 44.46 3ikm n ASP 75 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 3ikm s ILE 76 N -2.26 0.12 -0.74 5.18 2.07 -1.26 -5.00 121.20 119.31 3ikm s ILE 76 Ca 0.15 -1.04 0.24 0.00 -1.41 0.00 0.00 60.65 58.60 3ikm s ILE 76 Cb 0.15 -1.31 0.25 0.00 0.13 0.00 0.00 42.46 41.68 3ikm s ILE 76 CO 0.52 -0.56 1.74 0.00 -1.91 0.00 0.00 174.94 174.73 3ikm n GLN 77 N -0.10 0.16 0.00 3.50 -0.00 -1.26 -4.79 117.38 114.88 3ikm n GLN 77 Ca -0.15 0.24 0.00 0.00 -0.00 0.00 0.00 57.00 57.09 3ikm n GLN 77 Cb 0.63 -1.73 0.00 0.00 -0.00 0.00 0.00 30.24 29.14 3ikm n GLN 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 3ikm n MET 78 N -2.02 0.00 -3.65 2.61 2.81 -1.25 -4.72 117.12 110.90 3ikm n MET 78 Ca 0.04 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.92 3ikm n MET 78 Cb 0.32 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.78 3ikm n MET 78 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3ikm s LEU 79 N 0.00 -0.01 0.34 4.03 1.02 -1.26 -1.39 118.68 121.40 3ikm s LEU 79 Ca 0.00 0.01 0.08 0.00 0.02 0.00 0.00 54.13 54.24 3ikm s LEU 79 Cb 0.00 1.02 -0.03 0.00 0.02 0.00 0.00 46.19 47.20 3ikm s LEU 79 CO 0.00 -0.01 0.28 -0.44 0.02 0.00 0.00 176.35 176.21 3ikm s SER 80 N -0.66 1.77 0.00 2.29 0.01 -1.26 -4.49 113.70 111.36 3ikm s SER 80 Ca 0.09 -1.78 0.00 0.00 1.31 0.00 0.00 55.95 55.57 3ikm s SER 80 Cb -0.02 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.77 3ikm s SER 80 CO -0.12 -1.07 0.00 -2.11 0.41 0.00 0.00 173.24 170.35 3ikm n ARG 81 N -0.64 0.00 -0.35 12.44 1.85 -1.26 0.15 116.66 128.85 3ikm n ARG 81 Ca 0.08 0.00 0.24 0.00 -1.00 0.00 0.00 57.85 57.16 3ikm n ARG 81 Cb 0.62 0.00 0.49 0.00 -1.05 0.00 0.00 32.46 32.52 3ikm n ARG 81 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 3ikm h GLY 82 N 0.00 1.61 0.29 2.89 0.00 -1.93 -1.12 103.07 104.81 3ikm h GLY 82 Ca 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 3ikm h GLY 82 CO 0.00 -0.29 -0.28 1.41 0.00 0.00 0.00 176.54 177.38 3ikm h LEU 83 N 0.38 -0.77 -0.01 3.11 -0.00 0.12 -3.21 115.31 114.93 3ikm h LEU 83 Ca 0.68 0.06 0.00 0.00 -0.00 0.00 0.00 57.88 58.62 3ikm h LEU 83 Cb 1.64 0.25 -0.00 0.00 -0.00 0.00 0.00 40.66 42.55 3ikm h LEU 83 CO -0.44 -0.37 -0.01 1.41 -0.00 0.00 0.00 178.44 179.03 3ikm n HIS 84 N -4.07 -0.00 -0.10 1.13 8.25 0.53 0.35 115.22 121.31 3ikm n HIS 84 Ca -0.07 0.02 -0.06 0.00 -0.26 0.00 0.00 57.72 57.35 3ikm n HIS 84 Cb 0.26 -0.50 0.01 0.00 1.12 0.00 0.00 29.99 30.88 3ikm n HIS 84 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 3ikm h GLU 85 N 0.00 0.28 0.00 -0.41 4.11 -1.66 -3.34 114.58 113.56 3ikm h GLU 85 Ca 0.00 -0.02 -0.03 0.00 0.07 0.00 0.00 59.36 59.39 3ikm h GLU 85 Cb 0.01 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3ikm h GLU 85 CO -0.01 0.19 -1.21 0.94 0.07 0.00 0.00 179.01 178.98 3ikm n GLN 86 N -5.00 1.55 -0.72 1.06 7.27 -0.13 -4.69 117.38 116.72 3ikm n GLN 86 Ca 0.01 -0.02 0.00 0.00 0.07 0.00 0.00 57.00 57.06 3ikm n GLN 86 Cb 0.12 -1.10 0.00 0.00 2.41 0.00 0.00 30.24 31.67 3ikm n GLN 86 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 3ikm n ILE 87 N -1.86 0.00 -4.25 1.69 5.41 1.08 -4.67 119.36 116.76 3ikm n ILE 87 Ca -0.03 0.00 -0.21 0.00 1.00 0.00 0.00 62.75 63.51 3ikm n ILE 87 Cb 0.33 0.00 -0.12 0.00 -0.71 0.00 0.00 39.64 39.14 3ikm n ILE 87 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 3ikm s PHE 88 N -1.28 1.57 0.01 1.39 0.40 -1.25 -0.35 117.98 118.47 3ikm s PHE 88 Ca 0.00 -0.46 0.07 0.00 -0.60 0.00 0.00 56.93 55.94 3ikm s PHE 88 Cb 0.00 -0.84 -0.23 0.00 0.51 0.00 0.00 43.02 42.45 3ikm s PHE 88 CO 0.00 0.17 0.88 0.78 0.70 0.00 0.00 175.22 177.75 3ikm h GLY 89 N 3.90 0.07 -0.31 4.36 0.00 -1.89 -3.38 103.07 105.83 3ikm h GLY 89 Ca -0.43 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 46.72 3ikm h GLY 89 CO 0.44 0.16 -0.15 -1.06 0.00 0.00 0.00 176.54 175.92 3ikm n GLN 90 N -3.24 0.74 0.08 4.80 6.02 -1.26 -4.59 117.38 119.93 3ikm n GLN 90 Ca -0.12 -1.15 -0.12 0.00 -0.01 0.00 0.00 57.00 55.60 3ikm n GLN 90 Cb 1.02 -0.74 -0.05 0.00 1.02 0.00 0.00 30.24 31.48 3ikm n GLN 90 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 3ikm h GLY 91 N 0.00 -0.21 -4.14 1.08 0.00 -1.82 -3.45 103.07 94.53 3ikm h GLY 91 Ca 0.00 0.16 -0.54 0.00 0.00 0.00 0.00 47.33 46.95 3ikm h GLY 91 CO 0.00 -0.14 0.15 0.61 0.00 0.00 0.00 176.54 177.17 3ikm n GLY 92 N -1.26 -0.10 3.72 4.60 0.00 -1.09 -4.78 105.19 106.28 3ikm n GLY 92 Ca -0.06 0.55 -0.41 0.00 0.00 0.00 0.00 46.02 46.09 3ikm n GLY 92 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3ikm s GLU 93 N 0.54 4.62 0.01 1.61 -1.05 -1.26 -5.05 118.70 118.12 3ikm s GLU 93 Ca 0.63 1.40 -0.01 0.00 -0.15 0.00 0.00 54.97 56.83 3ikm s GLU 93 Cb -0.88 -3.41 -0.01 0.00 -0.44 0.00 0.00 34.13 29.39 3ikm s GLU 93 CO 0.42 0.10 0.01 0.00 0.95 0.00 0.00 175.26 176.74 3ikm s MET 94 N 0.45 0.26 0.83 -4.83 0.23 -1.26 -5.09 119.30 109.89 3ikm s MET 94 Ca 0.48 -0.41 -0.12 0.00 -1.03 0.00 0.00 55.69 54.61 3ikm s MET 94 Cb -0.22 0.10 0.09 0.00 -1.53 0.00 0.00 34.83 33.27 3ikm s MET 94 CO 0.28 -0.05 1.12 -1.25 -2.03 0.00 0.00 175.02 173.10 3ikm s PRO 95 N -1.06 1.83 0.00 3.16 0.04 -1.26 -5.08 135.00 132.62 3ikm s PRO 95 Ca -0.12 0.44 0.00 0.00 0.04 0.00 0.00 61.00 61.36 3ikm s PRO 95 Cb -0.07 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.56 3ikm s PRO 95 CO -0.00 -1.75 0.00 0.41 0.04 0.00 0.00 177.00 175.69 3ikm n GLY 96 N -2.38 0.26 0.00 0.56 0.00 -1.26 -3.99 105.19 98.37 3ikm n GLY 96 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3ikm n GLY 96 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ikm n GLU 97 N 0.00 0.00 -0.02 1.61 1.02 -1.26 -1.43 120.64 120.56 3ikm n GLU 97 Ca 0.00 0.65 -0.01 0.00 -0.02 0.00 0.00 57.16 57.79 3ikm n GLU 97 Cb 0.00 -1.14 -0.01 0.00 -0.02 0.00 0.00 31.44 30.27 3ikm n GLU 97 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ikm n ALA 98 N -1.67 -0.03 0.46 0.62 0.00 -1.26 0.15 120.51 118.78 3ikm n ALA 98 Ca 0.00 0.04 -0.20 0.00 0.00 0.00 0.00 53.44 53.28 3ikm n ALA 98 Cb 0.00 0.39 -0.10 0.00 0.00 0.00 0.00 19.45 19.74 3ikm n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ikm h ALA 99 N -0.77 -1.31 -0.89 0.00 0.00 -1.82 1.16 119.26 115.63 3ikm h ALA 99 Ca 0.01 -0.27 0.13 0.00 0.00 0.00 0.00 54.91 54.79 3ikm h ALA 99 Cb 0.02 0.59 -0.14 0.00 0.00 0.00 0.00 17.79 18.26 3ikm h ALA 99 CO -0.05 -1.25 -0.40 0.28 0.00 0.00 0.00 179.25 177.83 3ikm h VAL 100 N -1.26 0.04 0.14 0.00 2.07 -1.03 -1.79 116.25 114.42 3ikm h VAL 100 Ca -0.12 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.42 3ikm h VAL 100 Cb 1.00 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 3ikm h VAL 100 CO 0.14 0.00 -0.37 0.03 0.02 0.00 0.00 177.57 177.39 3ikm h ARG 101 N -0.05 -0.60 -0.06 1.57 2.47 0.23 -0.25 114.38 117.69 3ikm h ARG 101 Ca 0.30 0.04 0.01 0.00 -1.26 0.00 0.00 59.98 59.06 3ikm h ARG 101 Cb 0.57 0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 29.01 3ikm h ARG 101 CO -0.90 -0.40 -0.11 0.00 0.56 0.00 0.00 179.97 179.12 3ikm h ARG 102 N -0.62 -0.08 -0.40 0.04 3.08 0.22 0.28 114.38 116.89 3ikm h ARG 102 Ca 0.02 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.11 3ikm h ARG 102 Cb 0.64 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.66 3ikm h ARG 102 CO -0.21 -0.06 -0.24 -1.13 -1.07 0.00 0.00 179.97 177.27 3ikm n SER 103 N -3.18 -0.42 -0.20 7.04 3.41 -0.93 -1.51 113.62 117.82 3ikm n SER 103 Ca -0.01 1.18 0.01 0.00 -0.26 0.00 0.00 58.87 59.79 3ikm n SER 103 Cb 0.07 -0.32 0.10 0.00 -0.26 0.00 0.00 64.21 63.79 3ikm n SER 103 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3ikm h VAL 104 N 0.00 0.50 -0.62 -3.33 2.07 -0.66 -2.33 116.25 111.88 3ikm h VAL 104 Ca 0.06 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.58 3ikm h VAL 104 Cb 0.16 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 3ikm h VAL 104 CO -0.38 0.02 0.37 -0.33 0.02 0.00 0.00 177.57 177.27 3ikm h GLU 105 N 0.12 0.70 -0.45 1.57 5.08 0.15 -2.10 114.58 119.65 3ikm h GLU 105 Ca 0.32 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.57 3ikm h GLU 105 Cb 0.51 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3ikm h GLU 105 CO -0.52 0.46 0.02 0.45 -1.00 0.00 0.00 179.01 178.42 3ikm h HIS 106 N 0.72 0.85 -0.66 4.33 3.86 -0.97 0.81 115.15 124.09 3ikm h HIS 106 Ca 0.25 -0.14 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 3ikm h HIS 106 Cb 0.05 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.27 3ikm h HIS 106 CO -0.06 0.82 0.36 -0.07 0.86 0.00 0.00 177.93 179.84 3ikm h LEU 107 N 0.63 0.80 -0.39 2.43 3.38 -1.27 1.10 115.31 121.99 3ikm h LEU 107 Ca 0.13 -0.06 -0.16 0.00 0.09 0.00 0.00 57.88 57.88 3ikm h LEU 107 Cb 0.46 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3ikm h LEU 107 CO 0.02 0.64 -0.40 1.56 0.09 0.00 0.00 178.44 180.35 3ikm h GLN 108 N 0.91 0.92 -0.13 1.13 4.20 -0.84 0.28 115.11 121.58 3ikm h GLN 108 Ca 0.23 -0.50 -0.01 0.00 0.06 0.00 0.00 58.65 58.44 3ikm h GLN 108 Cb 0.02 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 3ikm h GLN 108 CO -0.04 1.15 0.04 0.87 -0.67 0.00 0.00 178.83 180.18 3ikm h LYS 109 N 0.75 0.18 -0.57 1.46 1.79 0.32 -1.43 116.57 119.07 3ikm h LYS 109 Ca 0.06 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 3ikm h LYS 109 Cb 1.00 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.61 3ikm h LYS 109 CO 0.10 0.17 0.00 0.72 -1.08 0.00 0.00 179.45 179.35 3ikm n HIS 110 N -4.47 1.26 -3.91 -1.35 8.25 0.35 -5.01 115.22 110.35 3ikm n HIS 110 Ca -0.01 -0.62 -0.25 0.00 -0.26 0.00 0.00 57.72 56.58 3ikm n HIS 110 Cb 0.12 -0.21 -0.01 0.00 1.12 0.00 0.00 29.99 31.01 3ikm n HIS 110 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ikm n GLY 111 N 0.89 -0.28 0.02 -1.41 0.00 0.86 -4.91 105.19 100.37 3ikm n GLY 111 Ca 0.23 0.17 0.05 0.00 0.00 0.00 0.00 46.02 46.47 3ikm n GLY 111 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ikm n LEU 112 N -4.38 0.00 -4.65 0.99 4.32 -0.39 -5.01 117.00 107.88 3ikm n LEU 112 Ca -0.30 0.00 -0.29 0.00 -0.02 0.00 0.00 56.01 55.41 3ikm n LEU 112 Cb 0.68 0.09 0.18 0.00 -1.62 0.00 0.00 43.42 42.76 3ikm n LEU 112 CO 0.74 0.09 0.63 0.86 -1.22 0.00 0.00 177.39 178.49 3ikm s TRP 113 N -3.03 2.00 0.00 -1.77 -0.00 -1.26 -4.48 118.94 110.40 3ikm s TRP 113 Ca -0.07 1.07 0.00 0.00 -0.00 0.00 0.00 56.10 57.10 3ikm s TRP 113 Cb 0.10 -3.22 0.00 0.00 -0.00 0.00 0.00 33.47 30.34 3ikm s TRP 113 CO 0.72 -2.99 0.00 0.41 -0.00 0.00 0.00 176.95 175.09 3ikm n GLY 114 N -0.77 1.80 3.10 5.86 0.00 -1.26 -4.84 105.19 109.08 3ikm n GLY 114 Ca 0.05 -0.77 -0.37 0.00 0.00 0.00 0.00 46.02 44.94 3ikm n GLY 114 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3ikm s GLN 115 N 0.00 2.53 0.00 1.61 1.03 -1.26 -4.22 119.66 119.35 3ikm s GLN 115 Ca 0.00 -2.46 0.00 0.00 0.04 0.00 0.00 55.36 52.94 3ikm s GLN 115 Cb 0.00 -3.73 0.00 0.00 0.03 0.00 0.00 33.01 29.31 3ikm s GLN 115 CO 0.00 -1.17 0.00 -2.30 -2.54 0.00 0.00 175.29 169.28 3ikm n PRO 116 N 3.60 3.36 -2.23 9.60 -0.02 -1.26 -4.92 135.00 143.13 3ikm n PRO 116 Ca 0.07 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.19 3ikm n PRO 116 Cb 0.38 -0.26 -0.04 0.00 -0.02 0.00 0.00 33.50 33.57 3ikm n PRO 116 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ikm s ALA 117 N -0.50 2.20 -0.03 3.55 0.00 -1.26 -4.93 121.76 120.79 3ikm s ALA 117 Ca 0.00 -1.38 -0.01 0.00 0.00 0.00 0.00 51.96 50.57 3ikm s ALA 117 Cb 0.00 -4.43 -0.04 0.00 0.00 0.00 0.00 23.12 18.66 3ikm s ALA 117 CO 0.00 -4.05 0.07 0.14 0.00 0.00 0.00 175.76 171.92 3ikm s VAL 118 N 8.05 4.74 -0.16 0.00 -7.23 -1.26 -5.03 120.40 119.50 3ikm s VAL 118 Ca 0.59 -0.31 -0.01 0.00 -1.81 0.00 0.00 61.98 60.44 3ikm s VAL 118 Cb -0.07 -3.12 -0.23 0.00 0.56 0.00 0.00 36.38 33.52 3ikm s VAL 118 CO 0.06 0.43 0.19 -0.81 -0.31 0.00 0.00 175.10 174.66 3ikm n PRO 119 N 1.46 0.71 -0.26 4.82 -0.04 -1.26 -4.74 135.00 135.68 3ikm n PRO 119 Ca -0.15 0.21 0.17 0.00 -0.04 0.00 0.00 63.50 63.70 3ikm n PRO 119 Cb 0.53 -1.65 0.33 0.00 -0.04 0.00 0.00 33.50 32.68 3ikm n PRO 119 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3ikm n LEU 120 N -3.32 0.06 -4.68 1.53 7.99 -1.26 -4.78 117.00 112.54 3ikm n LEU 120 Ca -0.35 1.32 -0.51 0.00 -0.01 0.00 0.00 56.01 56.46 3ikm n LEU 120 Cb 1.04 -0.55 -0.06 0.00 -0.11 0.00 0.00 43.42 43.74 3ikm n LEU 120 CO 0.38 -1.40 1.33 -0.81 -1.51 0.00 0.00 177.39 175.38 3ikm n PRO 121 N -4.97 1.74 -3.67 3.23 -0.04 -1.26 -4.99 135.00 125.03 3ikm n PRO 121 Ca 0.23 0.63 -0.12 0.00 -0.04 0.00 0.00 63.50 64.21 3ikm n PRO 121 Cb 0.78 -2.40 -0.12 0.00 -0.04 0.00 0.00 33.50 31.72 3ikm n PRO 121 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ikm s ASP 122 N 3.05 0.09 0.06 3.54 -0.00 -1.26 -5.15 116.67 117.00 3ikm s ASP 122 Ca 0.92 0.68 -0.26 0.00 -0.00 0.00 0.00 52.55 53.88 3ikm s ASP 122 Cb -0.84 0.78 0.08 0.00 -0.00 0.00 0.00 42.92 42.94 3ikm s ASP 122 CO 0.54 -0.22 0.69 0.54 -0.00 0.00 0.00 175.17 176.71 3ikm s VAL 123 N 2.21 0.00 -0.31 -1.27 0.11 -1.26 -5.07 120.40 114.81 3ikm s VAL 123 Ca -0.02 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.01 3ikm s VAL 123 Cb -0.12 -1.00 0.10 0.00 -1.53 0.00 0.00 36.38 33.84 3ikm s VAL 123 CO -0.10 0.00 0.12 -0.70 -3.33 0.00 0.00 175.10 171.10 3ikm s GLU 124 N -2.87 0.50 -0.04 1.54 2.12 -1.26 -5.06 118.70 113.63 3ikm s GLU 124 Ca -0.01 -0.90 -0.30 0.00 0.36 0.00 0.00 54.97 54.12 3ikm s GLU 124 Cb -0.01 -1.61 -0.04 0.00 0.26 0.00 0.00 34.13 32.73 3ikm s GLU 124 CO -0.06 -1.02 1.20 -0.51 -0.54 0.00 0.00 175.26 174.33 3ikm s LEU 125 N 1.74 4.29 -0.33 2.70 2.01 -1.26 -5.02 118.68 122.81 3ikm s LEU 125 Ca 0.10 1.84 0.06 0.00 0.01 0.00 0.00 54.13 56.15 3ikm s LEU 125 Cb -0.17 -3.56 0.19 0.00 0.01 0.00 0.00 46.19 42.66 3ikm s LEU 125 CO -0.28 -0.57 0.61 -0.13 1.01 0.00 0.00 176.35 176.99 3ikm s ARG 126 N 2.10 0.64 -0.24 1.70 0.52 -1.26 -4.58 118.95 117.83 3ikm s ARG 126 Ca 0.56 0.28 -0.26 0.00 -0.52 0.00 0.00 55.73 55.79 3ikm s ARG 126 Cb -0.25 0.20 0.08 0.00 0.52 0.00 0.00 34.95 35.49 3ikm s ARG 126 CO 0.23 -1.09 0.76 -1.17 0.02 0.00 0.00 175.30 174.05 3ikm s LEU 127 N 2.51 -0.69 -0.25 2.53 0.20 -1.26 -4.90 118.68 116.83 3ikm s LEU 127 Ca 0.12 1.24 0.13 0.00 0.69 0.00 0.00 54.13 56.31 3ikm s LEU 127 Cb -0.08 2.39 0.54 0.00 -0.43 0.00 0.00 46.19 48.61 3ikm s LEU 127 CO -0.20 -0.29 1.49 -2.65 -0.29 0.00 0.00 176.35 174.41 3ikm n PRO 128 N 2.31 2.52 0.22 0.98 -0.02 -1.26 -4.65 135.00 135.10 3ikm n PRO 128 Ca -0.14 -3.00 0.09 0.00 -2.02 0.00 0.00 63.50 58.42 3ikm n PRO 128 Cb 0.55 -1.88 0.44 0.00 -0.02 0.00 0.00 33.50 32.60 3ikm n PRO 128 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3ikm h PRO 129 N 1.51 0.00 -1.68 0.52 0.11 -1.99 -3.46 132.00 127.00 3ikm h PRO 129 Ca 0.14 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.06 3ikm h PRO 129 Cb 1.66 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.81 3ikm h PRO 129 CO 0.37 0.26 -0.18 1.47 -0.21 0.00 0.00 178.00 179.71 3ikm n LEU 130 N -3.45 -0.46 0.02 2.35 -0.00 -1.26 -5.02 117.00 109.18 3ikm n LEU 130 Ca -0.00 0.30 0.00 0.00 -0.00 0.00 0.00 56.01 56.30 3ikm n LEU 130 Cb 0.44 -0.26 0.00 0.00 -0.00 0.00 0.00 43.42 43.60 3ikm n LEU 130 CO 0.34 -0.92 0.00 -1.22 -0.00 0.00 0.00 177.39 175.59 3ikm n TYR 131 N -0.07 -1.03 -2.25 1.47 0.53 -1.26 -5.08 117.16 109.47 3ikm n TYR 131 Ca 0.05 0.10 -0.39 0.00 -1.02 0.00 0.00 57.90 56.64 3ikm n TYR 131 Cb 0.08 0.64 -0.02 0.00 -1.03 0.00 0.00 39.34 39.01 3ikm n TYR 131 CO 0.00 0.00 0.00 0.20 -1.02 0.00 0.00 176.86 176.04 3ikm s GLY 132 N -4.15 2.95 0.14 2.72 0.00 -1.26 -4.97 107.32 102.75 3ikm s GLY 132 Ca 0.00 1.07 0.11 0.00 0.00 0.00 0.00 44.72 45.90 3ikm s GLY 132 CO 0.00 1.65 1.21 -1.80 0.00 0.00 0.00 173.10 174.16 3ikm h ASP 133 N 3.08 0.00 -2.36 1.64 3.58 -1.87 -3.38 116.42 117.10 3ikm h ASP 133 Ca -0.48 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 56.61 3ikm h ASP 133 Cb 1.23 0.00 -0.35 0.00 1.72 0.00 0.00 39.33 41.93 3ikm h ASP 133 CO 0.64 0.82 -0.65 0.21 -2.88 0.00 0.00 179.24 177.37 3ikm s ASN 134 N -6.47 1.88 0.32 2.28 3.84 -1.26 -4.97 114.94 110.55 3ikm s ASN 134 Ca 0.01 -0.67 0.10 0.00 0.21 0.00 0.00 52.86 52.50 3ikm s ASN 134 Cb 0.09 0.34 0.93 0.00 -0.55 0.00 0.00 41.25 42.05 3ikm s ASN 134 CO 0.80 -0.38 1.68 0.17 -2.79 0.00 0.00 177.10 176.58 3ikm h LEU 135 N 8.30 0.45 -0.06 3.21 -0.00 -1.83 2.31 115.31 127.69 3ikm h LEU 135 Ca -0.16 0.17 0.02 0.00 -0.00 0.00 0.00 57.88 57.92 3ikm h LEU 135 Cb 1.09 0.13 -0.05 0.00 -0.00 0.00 0.00 40.66 41.82 3ikm h LEU 135 CO 0.34 -0.06 -0.47 -0.78 -0.00 0.00 0.00 178.44 177.47 3ikm h ASP 136 N 0.39 -1.48 -0.94 0.17 1.82 -1.94 0.85 116.42 115.29 3ikm h ASP 136 Ca 0.66 0.17 0.26 0.00 -0.39 0.00 0.00 57.03 57.73 3ikm h ASP 136 Cb 1.38 0.57 -0.14 0.00 0.68 0.00 0.00 39.33 41.83 3ikm h ASP 136 CO -0.57 -0.44 0.44 -0.61 -1.61 0.00 0.00 179.24 176.45 3ikm h GLN 137 N -0.55 0.35 0.00 0.28 4.15 0.32 0.22 115.11 119.88 3ikm h GLN 137 Ca 0.02 -0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.35 3ikm h GLN 137 Cb 0.61 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.21 3ikm h GLN 137 CO -0.35 0.23 -0.32 0.45 -1.93 0.00 0.00 178.83 176.91 3ikm h HIS 138 N 0.36 0.00 -0.17 3.99 3.86 0.45 -2.81 115.15 120.82 3ikm h HIS 138 Ca 0.63 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.63 3ikm h HIS 138 Cb 1.29 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.77 3ikm h HIS 138 CO -0.11 0.32 -0.72 0.74 0.86 0.00 0.00 177.93 179.03 3ikm h PHE 139 N 0.00 0.99 -0.96 2.45 -1.00 0.36 0.12 116.94 118.89 3ikm h PHE 139 Ca -0.00 -0.42 0.07 0.00 2.81 0.00 0.00 57.97 60.43 3ikm h PHE 139 Cb 1.00 -0.16 -0.07 0.00 3.61 0.00 0.00 35.95 40.33 3ikm h PHE 139 CO 0.00 1.23 0.61 0.00 -1.61 0.00 0.00 178.31 178.54 3ikm h ARG 140 N 0.53 1.05 -0.01 1.51 -0.00 -1.02 0.49 114.38 116.93 3ikm h ARG 140 Ca -0.03 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.98 59.38 3ikm h ARG 140 Cb 1.33 -0.24 -0.00 0.00 0.00 0.00 0.00 29.97 31.06 3ikm h ARG 140 CO 0.15 0.69 -0.00 -0.07 0.00 0.00 0.00 179.97 180.74 3ikm h LEU 141 N 1.08 0.01 0.19 3.04 4.07 -1.22 0.47 115.31 122.94 3ikm h LEU 141 Ca 0.42 -0.33 0.01 0.00 0.08 0.00 0.00 57.88 58.06 3ikm h LEU 141 Cb 0.22 -0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.91 3ikm h LEU 141 CO -0.19 0.34 -0.52 -0.07 -1.08 0.00 0.00 178.44 176.92 3ikm h LEU 142 N -0.31 -1.53 -1.10 1.67 3.38 -0.30 0.88 115.31 118.00 3ikm h LEU 142 Ca 0.00 0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3ikm h LEU 142 Cb 0.33 0.56 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 3ikm h LEU 142 CO 0.00 -0.57 0.48 0.00 0.09 0.00 0.00 178.44 178.44 3ikm h ALA 143 N -0.63 1.33 -0.52 1.53 0.00 -0.98 -2.70 119.26 117.28 3ikm h ALA 143 Ca -0.02 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.85 3ikm h ALA 143 Cb 0.77 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 3ikm h ALA 143 CO -0.24 0.58 0.26 0.37 0.00 0.00 0.00 179.25 180.21 3ikm h GLN 144 N 1.11 0.48 -0.52 0.00 5.75 0.21 0.33 115.11 122.47 3ikm h GLN 144 Ca 0.29 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.69 3ikm h GLN 144 Cb -0.03 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.39 3ikm h GLN 144 CO -0.05 0.32 0.06 0.87 -2.65 0.00 0.00 178.83 177.38 3ikm h LYS 145 N 0.49 0.88 0.23 1.69 1.57 0.99 0.29 116.57 122.73 3ikm h LYS 145 Ca 0.24 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3ikm h LYS 145 Cb 0.16 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3ikm h LYS 145 CO -0.18 0.87 -0.11 1.96 -0.57 0.00 0.00 179.45 181.42 3ikm h GLN 146 N 0.76 -0.30 -0.77 3.15 4.20 -1.22 -3.20 115.11 117.73 3ikm h GLN 146 Ca 0.16 0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.96 3ikm h GLN 146 Cb 0.43 0.07 -0.06 0.00 0.30 0.00 0.00 27.48 28.22 3ikm h GLN 146 CO 0.01 -0.06 0.45 0.66 -0.67 0.00 0.00 178.83 179.23 3ikm h SER 147 N -0.52 0.68 0.24 1.46 4.64 -0.20 -2.87 113.55 116.98 3ikm h SER 147 Ca -0.03 0.03 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3ikm h SER 147 Cb 0.38 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 62.33 3ikm h SER 147 CO 0.05 0.42 -0.46 -0.07 -0.87 0.00 0.00 176.83 175.90 3ikm h LEU 148 N 0.81 -1.34 -0.65 5.97 3.38 -0.41 1.56 115.31 124.63 3ikm h LEU 148 Ca 0.35 0.13 0.10 0.00 0.09 0.00 0.00 57.88 58.55 3ikm h LEU 148 Cb 0.23 0.48 -0.08 0.00 0.09 0.00 0.00 40.66 41.38 3ikm h LEU 148 CO -0.20 -0.56 0.25 -0.65 0.09 0.00 0.00 178.44 177.38 3ikm h PRO 149 N -0.78 0.42 -0.08 1.13 0.11 -1.58 0.41 132.00 131.63 3ikm h PRO 149 Ca -0.01 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 66.11 3ikm h PRO 149 Cb 0.75 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.73 3ikm h PRO 149 CO -0.19 0.28 -0.17 -0.92 -0.21 0.00 0.00 178.00 176.79 3ikm h TYR 150 N 0.44 -0.43 0.32 0.65 3.20 -1.16 -3.24 116.97 116.75 3ikm h TYR 150 Ca 0.33 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.21 3ikm h TYR 150 Cb 0.42 0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.89 3ikm h TYR 150 CO -0.16 -0.24 -0.19 -0.07 -1.64 0.00 0.00 178.16 175.86 3ikm h LEU 151 N -0.23 -0.48 -0.94 2.82 3.38 0.45 -3.03 115.31 117.27 3ikm h LEU 151 Ca 0.08 0.03 0.36 0.00 0.09 0.00 0.00 57.88 58.44 3ikm h LEU 151 Cb 0.34 0.14 -0.13 0.00 0.09 0.00 0.00 40.66 41.10 3ikm h LEU 151 CO -0.22 -0.30 0.55 -0.62 0.09 0.00 0.00 178.44 177.95 3ikm n GLU 152 N -3.45 -0.04 0.08 1.13 -0.58 0.12 0.28 120.64 118.17 3ikm n GLU 152 Ca -0.06 1.09 -0.07 0.00 -0.42 0.00 0.00 57.16 57.70 3ikm n GLU 152 Cb 0.20 -2.02 0.07 0.00 -0.57 0.00 0.00 31.44 29.11 3ikm n GLU 152 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ikm h ALA 153 N 1.50 0.72 0.42 0.62 0.00 -1.57 -3.30 119.26 117.64 3ikm h ALA 153 Ca 0.70 -0.60 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3ikm h ALA 153 Cb 2.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.75 3ikm h ALA 153 CO -0.53 0.78 -0.20 0.00 0.00 0.00 0.00 179.25 179.30 3ikm h ALA 154 N 1.09 -0.56 -0.59 0.00 0.00 0.41 -3.29 119.26 116.32 3ikm h ALA 154 Ca -0.02 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.76 3ikm h ALA 154 Cb 1.25 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 19.18 3ikm h ALA 154 CO 0.11 -0.66 -0.35 0.09 0.00 0.00 0.00 179.25 178.44 3ikm n ASN 155 N -5.22 -0.62 -0.36 0.00 3.02 -0.79 -1.00 115.26 110.29 3ikm n ASN 155 Ca -0.10 1.34 -0.00 0.00 -0.03 0.00 0.00 54.58 55.78 3ikm n ASN 155 Cb 0.29 -0.28 0.04 0.00 -0.61 0.00 0.00 39.78 39.22 3ikm n ASN 155 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3ikm n LEU 156 N -4.36 -0.58 -0.15 3.41 4.77 -1.24 -0.77 117.00 118.08 3ikm n LEU 156 Ca 0.01 1.62 -0.09 0.00 -0.03 0.00 0.00 56.01 57.52 3ikm n LEU 156 Cb 0.15 -0.38 -0.01 0.00 -2.33 0.00 0.00 43.42 40.86 3ikm n LEU 156 CO -0.09 -1.46 0.87 -0.07 -1.33 0.00 0.00 177.39 175.31 3ikm h LEU 157 N 0.00 0.64 -0.18 2.23 3.38 -1.14 -3.18 115.31 117.06 3ikm h LEU 157 Ca 0.33 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3ikm h LEU 157 Cb 0.56 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3ikm h LEU 157 CO -0.92 0.70 0.05 -0.07 0.09 0.00 0.00 178.44 178.29 3ikm h LEU 158 N 0.54 0.26 -0.95 1.67 4.07 -0.03 -3.07 115.31 117.81 3ikm h LEU 158 Ca 0.13 -0.21 0.20 0.00 0.08 0.00 0.00 57.88 58.09 3ikm h LEU 158 Cb 0.31 -0.07 -0.11 0.00 1.08 0.00 0.00 40.66 41.87 3ikm h LEU 158 CO 0.00 0.40 0.52 -0.61 -1.08 0.00 0.00 178.44 177.67 3ikm h GLN 159 N 0.11 0.59 -6.73 1.13 5.75 -0.96 -3.43 115.11 111.57 3ikm h GLN 159 Ca 0.06 -0.04 -0.57 0.00 -0.15 0.00 0.00 58.65 57.95 3ikm h GLN 159 Cb 0.23 -0.13 0.11 0.00 1.07 0.00 0.00 27.48 28.76 3ikm h GLN 159 CO -0.00 0.39 0.49 0.00 -2.65 0.00 0.00 178.83 177.06 3ikm n ALA 160 N -2.38 1.21 -0.48 3.38 0.00 -1.16 -4.92 120.51 116.15 3ikm n ALA 160 Ca 0.23 0.36 0.00 0.00 0.00 0.00 0.00 53.44 54.03 3ikm n ALA 160 Cb 0.60 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.81 3ikm n ALA 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ikm n GLN 161 N 0.60 0.93 -3.47 0.00 -0.00 -1.26 -5.06 117.38 109.12 3ikm n GLN 161 Ca 0.05 -0.79 -0.43 0.00 -0.00 0.00 0.00 57.00 55.83 3ikm n GLN 161 Cb 0.36 -0.76 -0.09 0.00 -0.00 0.00 0.00 30.24 29.75 3ikm n GLN 161 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.06 176.58 3ikm s LEU 162 N -0.36 5.34 -0.31 2.61 0.05 -1.26 -5.01 118.68 119.73 3ikm s LEU 162 Ca 0.00 -1.27 -0.02 0.00 0.05 0.00 0.00 54.13 52.88 3ikm s LEU 162 Cb 0.00 -2.11 0.12 0.00 -2.05 0.00 0.00 46.19 42.14 3ikm s LEU 162 CO 0.00 -0.56 0.17 -2.16 -0.55 0.00 0.00 176.35 173.25 3ikm s PRO 163 N 1.58 0.30 0.12 1.48 0.04 -1.26 -4.85 135.00 132.41 3ikm s PRO 163 Ca 0.04 -0.69 0.27 0.00 0.04 0.00 0.00 61.00 60.65 3ikm s PRO 163 Cb -0.23 -1.13 0.94 0.00 0.04 0.00 0.00 34.50 34.13 3ikm s PRO 163 CO 0.06 -1.07 1.80 -0.35 0.04 0.00 0.00 177.00 177.48 3ikm n PRO 164 N 4.93 0.15 -0.98 0.56 -0.04 -1.26 -4.98 135.00 133.39 3ikm n PRO 164 Ca -0.01 0.12 0.09 0.00 -0.04 0.00 0.00 63.50 63.66 3ikm n PRO 164 Cb 0.41 -1.67 -0.04 0.00 -0.04 0.00 0.00 33.50 32.17 3ikm n PRO 164 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3ikm n LYS 165 N -1.93 -1.59 -4.23 0.54 4.01 -1.26 -4.86 118.16 108.84 3ikm n LYS 165 Ca 0.06 1.21 -0.23 0.00 -0.51 0.00 0.00 58.31 58.84 3ikm n LYS 165 Cb 0.39 -2.14 -0.06 0.00 -0.51 0.00 0.00 35.03 32.71 3ikm n LYS 165 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 3ikm s PRO 166 N -3.41 2.49 0.00 1.97 0.04 -1.26 -4.68 135.00 130.15 3ikm s PRO 166 Ca 0.00 -1.31 0.00 0.00 0.04 0.00 0.00 61.00 59.73 3ikm s PRO 166 Cb 0.00 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.25 3ikm s PRO 166 CO 0.00 0.37 0.00 -2.30 0.04 0.00 0.00 177.00 175.11 3ikm n PRO 167 N -0.99 0.00 -0.20 0.56 -0.02 -1.26 -4.92 135.00 128.16 3ikm n PRO 167 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 3ikm n PRO 167 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.07 3ikm n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ikm n ALA 168 N -1.56 0.00 -2.92 3.55 0.00 -1.26 -1.38 120.51 116.93 3ikm n ALA 168 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 3ikm n ALA 168 Cb 0.00 -0.31 0.02 0.00 0.00 0.00 0.00 19.45 19.16 3ikm n ALA 168 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 3ikm n TRP 169 N -0.38 -1.75 0.00 0.00 -0.00 -1.26 -4.52 117.44 109.52 3ikm n TRP 169 Ca 0.00 0.73 0.00 0.00 -0.00 0.00 0.00 57.50 58.23 3ikm n TRP 169 Cb 0.10 -1.39 0.00 0.00 -0.00 0.00 0.00 31.31 30.02 3ikm n TRP 169 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3ikm n ALA 170 N -0.62 0.00 0.00 5.87 0.00 -0.48 -4.95 120.51 120.33 3ikm n ALA 170 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3ikm n ALA 170 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 3ikm n ALA 170 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 3ikm n TRP 171 N 9.34 0.00 0.00 0.00 -0.00 -1.26 -5.08 117.44 120.44 3ikm n TRP 171 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 3ikm n TRP 171 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 3ikm n TRP 171 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3ikm n ALA 172 N -0.23 0.00 0.00 5.87 0.00 -1.26 -5.02 120.51 119.86 3ikm n ALA 172 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ikm n ALA 172 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3ikm n ALA 172 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3ikm n GLU 173 N -0.40 0.00 -1.53 0.00 4.07 -1.26 -4.87 120.64 116.64 3ikm n GLU 173 Ca 0.00 0.00 -0.25 0.00 -0.06 0.00 0.00 57.16 56.85 3ikm n GLU 173 Cb 0.00 0.00 -0.14 0.00 -0.06 0.00 0.00 31.44 31.24 3ikm n GLU 173 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3ikm n GLY 174 N -1.73 -0.30 0.00 8.31 0.00 -0.50 -4.20 105.19 106.78 3ikm n GLY 174 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.42 3ikm n GLY 174 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3ikm n TRP 175 N 11.90 0.00 -3.92 1.61 4.27 -0.79 -4.66 117.44 125.85 3ikm n TRP 175 Ca 0.57 0.00 -0.10 0.00 -3.89 0.00 0.00 57.50 54.07 3ikm n TRP 175 Cb 0.27 0.00 -0.11 0.00 -1.36 0.00 0.00 31.31 30.10 3ikm n TRP 175 CO 0.00 0.00 0.00 0.99 -2.29 0.00 0.00 177.69 176.39 3ikm s THR 176 N 0.48 0.07 0.00 -1.67 2.01 -1.26 -2.27 115.64 113.01 3ikm s THR 176 Ca 0.00 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.40 3ikm s THR 176 Cb 0.00 -0.26 0.00 0.00 0.01 0.00 0.00 72.50 72.25 3ikm s THR 176 CO 0.00 -0.33 0.68 -2.11 -0.69 0.00 0.00 174.62 172.17 3ikm n ARG 177 N 1.97 0.00 -1.55 4.92 1.85 -1.26 -1.94 116.66 120.64 3ikm n ARG 177 Ca -0.20 0.21 -0.55 0.00 -1.00 0.00 0.00 57.85 56.31 3ikm n ARG 177 Cb 0.56 -1.18 -0.08 0.00 -1.05 0.00 0.00 32.46 30.72 3ikm n ARG 177 CO 0.00 0.00 0.00 0.98 -0.01 0.00 0.00 177.63 178.60 3ikm n TYR 178 N -1.07 1.79 0.00 2.89 9.36 -1.26 -4.02 117.16 124.84 3ikm n TYR 178 Ca 0.00 0.43 0.00 0.00 3.32 0.00 0.00 57.90 61.65 3ikm n TYR 178 Cb 0.00 -2.48 0.00 0.00 -0.63 0.00 0.00 39.34 36.23 3ikm n TYR 178 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3ikm n GLY 179 N 5.52 -1.37 0.26 2.98 0.00 -1.26 -4.46 105.19 106.86 3ikm n GLY 179 Ca 0.35 0.54 0.12 0.00 0.00 0.00 0.00 46.02 47.03 3ikm n GLY 179 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ikm h PRO 180 N 0.00 0.00 -1.63 1.61 0.13 -1.84 0.85 132.00 131.12 3ikm h PRO 180 Ca 0.00 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.76 3ikm h PRO 180 Cb 0.00 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 30.86 3ikm h PRO 180 CO 0.00 0.00 -0.74 0.39 -0.23 0.00 0.00 178.00 177.42 3ikm n GLU 181 N -2.53 0.39 -3.83 0.86 4.71 -1.26 -4.99 120.64 113.99 3ikm n GLU 181 Ca -0.02 -2.60 -0.12 0.00 -0.01 0.00 0.00 57.16 54.42 3ikm n GLU 181 Cb 0.33 -1.55 -0.09 0.00 -1.01 0.00 0.00 31.44 29.12 3ikm n GLU 181 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 3ikm s GLY 182 N 0.31 -0.02 0.00 0.62 0.00 0.29 -5.04 107.32 103.48 3ikm s GLY 182 Ca 0.32 0.02 0.00 0.00 0.00 0.00 0.00 44.72 45.06 3ikm s GLY 182 CO -0.13 -0.14 0.00 -2.21 0.00 0.00 0.00 173.10 170.62 3ikm n GLU 183 N 1.42 0.00 -0.89 2.90 2.13 -0.82 -4.74 120.64 120.64 3ikm n GLU 183 Ca -0.22 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.60 3ikm n GLU 183 Cb 0.56 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.27 3ikm n GLU 183 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3ikm n ALA 184 N -0.84 -2.06 -3.73 4.31 0.00 -1.26 -4.81 120.51 112.12 3ikm n ALA 184 Ca 0.00 0.24 -0.06 0.00 0.00 0.00 0.00 53.44 53.62 3ikm n ALA 184 Cb 0.00 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.45 3ikm n ALA 184 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3ikm s VAL 185 N -2.25 0.00 0.45 0.00 -7.23 -1.26 -4.33 120.40 105.78 3ikm s VAL 185 Ca 0.00 -0.64 -0.12 0.00 -1.81 0.00 0.00 61.98 59.41 3ikm s VAL 185 Cb 0.00 -1.80 -0.07 0.00 0.56 0.00 0.00 36.38 35.08 3ikm s VAL 185 CO 0.00 0.00 0.85 -2.16 -0.31 0.00 0.00 175.10 173.48 3ikm s PRO 186 N -3.50 3.82 -0.46 4.82 0.04 -1.26 -5.01 135.00 133.45 3ikm s PRO 186 Ca 0.10 0.63 -0.21 0.00 0.04 0.00 0.00 61.00 61.56 3ikm s PRO 186 Cb -0.03 -2.30 0.03 0.00 0.04 0.00 0.00 34.50 32.25 3ikm s PRO 186 CO 0.01 -0.14 0.66 0.54 0.04 0.00 0.00 177.00 178.12 3ikm s VAL 187 N -2.49 4.80 -0.25 -0.36 0.11 -1.26 -4.92 120.40 116.03 3ikm s VAL 187 Ca 0.54 0.03 -0.18 0.00 -2.93 0.00 0.00 61.98 59.44 3ikm s VAL 187 Cb -0.10 -4.25 0.07 0.00 -1.53 0.00 0.00 36.38 30.57 3ikm s VAL 187 CO 0.33 -0.67 0.64 0.00 -3.33 0.00 0.00 175.10 172.06 3ikm s ALA 188 N 2.88 -1.66 0.37 1.54 0.00 -1.26 -5.11 121.76 118.51 3ikm s ALA 188 Ca 0.22 2.07 -0.27 0.00 0.00 0.00 0.00 51.96 53.98 3ikm s ALA 188 Cb -0.15 -1.22 -0.11 0.00 0.00 0.00 0.00 23.12 21.64 3ikm s ALA 188 CO 0.18 -0.34 1.21 1.51 0.00 0.00 0.00 175.76 178.33 3ikm n ILE 189 N 3.65 2.22 -1.15 0.00 3.06 -1.26 -4.63 119.36 121.25 3ikm n ILE 189 Ca -0.18 -0.50 -0.43 0.00 -2.50 0.00 0.00 62.75 59.15 3ikm n ILE 189 Cb 0.57 -1.45 -0.05 0.00 0.54 0.00 0.00 39.64 39.26 3ikm n ILE 189 CO 0.00 0.00 0.00 -2.65 -2.50 0.00 0.00 176.55 171.40 3ikm n PRO 190 N 0.36 0.00 0.00 9.51 -0.01 -1.26 -4.68 135.00 138.92 3ikm n PRO 190 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.55 3ikm n PRO 190 Cb 0.37 -1.00 0.00 0.00 -0.01 0.00 0.00 33.50 32.86 3ikm n PRO 190 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 175.50 173.58 3ikm n GLU 191 N 1.00 0.35 0.00 -0.52 4.07 -1.26 -4.75 120.64 119.53 3ikm n GLU 191 Ca 0.15 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.25 3ikm n GLU 191 Cb 0.12 -1.08 0.00 0.00 -0.06 0.00 0.00 31.44 30.42 3ikm n GLU 191 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 3ikm n GLU 192 N -0.11 0.00 0.00 5.31 2.13 -1.26 -4.90 120.64 121.81 3ikm n GLU 192 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3ikm n GLU 192 Cb 0.04 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.75 3ikm n GLU 192 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 3ikm n ARG 193 N 9.82 0.00 -3.65 5.31 3.00 -1.26 -3.77 116.66 126.10 3ikm n ARG 193 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.70 3ikm n ARG 193 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.38 3ikm n ARG 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3ikm s ALA 194 N 0.00 -1.36 0.33 5.13 0.00 -1.26 -3.18 121.76 121.41 3ikm s ALA 194 Ca 0.00 1.22 0.01 0.00 0.00 0.00 0.00 51.96 53.19 3ikm s ALA 194 Cb 0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 3ikm s ALA 194 CO 0.00 -0.29 0.37 -0.51 0.00 0.00 0.00 175.76 175.33 3ikm s LEU 195 N -0.51 1.30 -0.20 0.00 1.43 -1.26 -4.42 118.68 115.02 3ikm s LEU 195 Ca -0.06 -1.58 -0.09 0.00 -1.03 0.00 0.00 54.13 51.37 3ikm s LEU 195 Cb -0.03 1.04 0.08 0.00 0.03 0.00 0.00 46.19 47.31 3ikm s LEU 195 CO 0.04 -1.17 0.45 0.68 0.23 0.00 0.00 176.35 176.58 3ikm s VAL 196 N -3.30 -0.38 -0.07 -1.59 -7.23 -1.26 -2.20 120.40 104.38 3ikm s VAL 196 Ca 0.35 0.12 0.06 0.00 -1.81 0.00 0.00 61.98 60.69 3ikm s VAL 196 Cb 0.01 -0.69 -0.01 0.00 0.56 0.00 0.00 36.38 36.25 3ikm s VAL 196 CO 0.23 0.05 -0.24 -0.36 -0.31 0.00 0.00 175.10 174.46 3ikm s PHE 197 N 2.09 2.43 0.16 2.82 0.08 -1.26 -4.11 117.98 120.18 3ikm s PHE 197 Ca -0.06 -0.79 -0.06 0.00 0.12 0.00 0.00 56.93 56.14 3ikm s PHE 197 Cb -0.10 -1.60 -0.06 0.00 -0.57 0.00 0.00 43.02 40.69 3ikm s PHE 197 CO -0.14 -0.26 0.41 0.16 -0.10 0.00 0.00 175.22 175.29 3ikm s ASP 198 N -0.03 6.52 0.01 1.36 1.47 -1.26 -4.67 116.67 120.08 3ikm s ASP 198 Ca -0.07 0.67 -0.03 0.00 1.18 0.00 0.00 52.55 54.29 3ikm s ASP 198 Cb -0.15 -2.12 -0.01 0.00 -0.34 0.00 0.00 42.92 40.30 3ikm s ASP 198 CO 0.05 0.03 0.05 -0.69 0.68 0.00 0.00 175.17 175.29 3ikm s VAL 199 N -1.69 0.10 0.11 2.11 1.01 -1.26 -3.27 120.40 117.51 3ikm s VAL 199 Ca 0.42 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 3ikm s VAL 199 Cb -0.12 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 3ikm s VAL 199 CO 0.24 -0.45 0.03 -1.83 0.00 0.00 0.00 175.10 173.08 3ikm s GLU 200 N -1.47 0.83 0.06 2.72 4.04 -1.17 -4.95 118.70 118.75 3ikm s GLU 200 Ca -0.15 -1.37 -0.12 0.00 0.04 0.00 0.00 54.97 53.36 3ikm s GLU 200 Cb -0.09 0.21 0.02 0.00 0.02 0.00 0.00 34.13 34.29 3ikm s GLU 200 CO 0.00 -0.21 0.28 0.08 -1.84 0.00 0.00 175.26 173.57 3ikm s VAL 201 N -3.99 0.09 0.20 1.83 1.01 -1.26 -2.98 120.40 115.31 3ikm s VAL 201 Ca 0.19 -0.78 -0.30 0.00 0.00 0.00 0.00 61.98 61.09 3ikm s VAL 201 Cb 0.08 -1.01 -0.08 0.00 0.00 0.00 0.00 36.38 35.36 3ikm s VAL 201 CO -0.02 -0.43 1.06 0.00 0.00 0.00 0.00 175.10 175.71 3ikm h LEU 203 N 4.72 0.97 -0.22 0.00 6.46 -1.77 -3.21 115.31 122.27 3ikm h LEU 203 Ca -0.45 -0.51 0.02 0.00 -0.12 0.00 0.00 57.88 56.82 3ikm h LEU 203 Cb 1.21 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 40.84 3ikm h LEU 203 CO 0.70 1.31 -0.13 0.00 -0.62 0.00 0.00 178.44 179.70 3ikm n ALA 204 N -2.57 -0.14 0.00 1.25 0.00 -1.26 -4.81 120.51 112.98 3ikm n ALA 204 Ca -0.04 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3ikm n ALA 204 Cb 0.62 0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.11 3ikm n ALA 204 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3ikm n GLU 205 N -3.64 0.00 0.00 0.00 -0.58 -1.21 -4.98 120.64 110.23 3ikm n GLU 205 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3ikm n GLU 205 Cb 0.06 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.93 3ikm n GLU 205 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ikm n GLY 206 N -1.77 3.01 0.94 0.62 0.00 -1.26 -4.88 105.19 101.86 3ikm n GLY 206 Ca 0.00 -1.12 0.06 0.00 0.00 0.00 0.00 46.02 44.96 3ikm n GLY 206 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ikm n THR 207 N 0.64 0.88 -1.60 2.61 -2.24 -1.26 -4.46 114.28 108.85 3ikm n THR 207 Ca 0.00 -0.64 -0.44 0.00 -2.27 0.00 0.00 64.05 60.70 3ikm n THR 207 Cb 0.00 0.07 -0.01 0.00 -2.10 0.00 0.00 70.33 68.29 3ikm n THR 207 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ikm s PRO 209 N -1.62 -0.23 0.00 0.00 0.04 -1.26 -4.33 135.00 127.60 3ikm s PRO 209 Ca 0.58 0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.71 3ikm s PRO 209 Cb -0.68 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.17 3ikm s PRO 209 CO 0.60 -3.08 0.00 2.41 0.04 0.00 0.00 177.00 176.97 3ikm n THR 210 N -4.34 0.00 0.00 1.26 -1.04 -1.16 -4.66 114.28 104.34 3ikm n THR 210 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 3ikm n THR 210 Cb 0.59 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.10 3ikm n THR 210 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3ikm n LEU 211 N 0.00 0.00 0.00 -4.42 4.32 -0.98 -3.07 117.00 112.85 3ikm n LEU 211 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3ikm n LEU 211 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 3ikm n LEU 211 CO 0.00 0.00 0.00 0.00 -1.22 0.00 0.00 177.39 176.17 3ikm n ALA 212 N 0.72 0.00 0.00 -1.18 0.00 -1.20 -4.47 120.51 114.38 3ikm n ALA 212 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ikm n ALA 212 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3ikm n ALA 212 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3ikm n VAL 213 N 9.00 0.00 -2.72 0.00 3.14 -1.26 -4.41 118.33 122.08 3ikm n VAL 213 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3ikm n VAL 213 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 3ikm n VAL 213 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3ikm n ALA 214 N -1.83 0.00 -3.30 1.55 0.00 -0.69 -4.18 120.51 112.06 3ikm n ALA 214 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3ikm n ALA 214 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 3ikm n ALA 214 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ikm s ILE 215 N -2.33 -0.63 -0.58 0.00 1.01 -1.26 -4.59 121.20 112.81 3ikm s ILE 215 Ca 0.00 -0.38 -0.21 0.00 0.00 0.00 0.00 60.65 60.06 3ikm s ILE 215 Cb 0.00 -0.83 0.03 0.00 0.01 0.00 0.00 42.46 41.67 3ikm s ILE 215 CO 0.00 -0.30 0.64 -0.24 0.00 0.00 0.00 174.94 175.04 3ikm n SER 216 N 5.06 -5.97 0.13 3.58 2.88 -1.26 -4.44 113.62 113.60 3ikm n SER 216 Ca 0.04 -0.26 0.01 0.00 -1.33 0.00 0.00 58.87 57.33 3ikm n SER 216 Cb 0.49 -2.66 0.04 0.00 -0.75 0.00 0.00 64.21 61.33 3ikm n SER 216 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3ikm h PRO 217 N 1.26 0.00 0.00 -1.46 0.11 -1.77 -3.38 132.00 126.75 3ikm h PRO 217 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3ikm h PRO 217 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3ikm h PRO 217 CO 0.27 0.60 0.00 0.43 -0.21 0.00 0.00 178.00 179.09 3ikm n SER 218 N -3.31 0.00 0.00 -2.05 7.64 -1.26 -4.27 113.62 110.37 3ikm n SER 218 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 3ikm n SER 218 Cb 0.75 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.95 3ikm n SER 218 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ikm n ALA 219 N -0.47 0.00 0.00 -0.43 0.00 -0.96 -1.70 120.51 116.95 3ikm n ALA 219 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ikm n ALA 219 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3ikm n ALA 219 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 3ikm n TRP 220 N 0.93 0.00 0.00 0.00 -0.00 -1.26 -1.89 117.44 115.22 3ikm n TRP 220 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 3ikm n TRP 220 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 3ikm n TRP 220 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 177.69 178.35 3ikm n TYR 221 N -1.32 0.00 0.00 5.87 4.01 -1.26 -1.41 117.16 123.05 3ikm n TYR 221 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3ikm n TYR 221 Cb 0.00 -0.26 0.00 0.00 -0.31 0.00 0.00 39.34 38.77 3ikm n TYR 221 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3ikm n SER 222 N -2.07 0.00 -0.04 7.72 3.41 -1.26 -2.32 113.62 119.06 3ikm n SER 222 Ca 0.00 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.77 3ikm n SER 222 Cb 0.00 0.18 0.24 0.00 -0.26 0.00 0.00 64.21 64.38 3ikm n SER 222 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3ikm n TRP 223 N -1.18 0.00 0.00 7.33 8.01 -1.26 -4.26 117.44 126.07 3ikm n TRP 223 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 3ikm n TRP 223 Cb 0.00 -0.15 0.00 0.00 -2.01 0.00 0.00 31.31 29.15 3ikm n TRP 223 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3ikm n SER 225 N -2.25 -0.15 0.14 0.00 7.64 -1.26 0.35 113.62 118.09 3ikm n SER 225 Ca 0.00 0.89 0.00 0.00 1.01 0.00 0.00 58.87 60.77 3ikm n SER 225 Cb 0.00 -0.29 0.13 0.00 -1.01 0.00 0.00 64.21 63.04 3ikm n SER 225 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 3ikm h GLN 226 N 0.00 0.00 0.10 1.43 3.07 -1.90 -3.25 115.11 114.57 3ikm h GLN 226 Ca 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 59.01 3ikm h GLN 226 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.03 3ikm h GLN 226 CO -0.52 0.61 -0.05 0.00 0.09 0.00 0.00 178.83 178.96 3ikm h ARG 227 N 0.00 -0.13 0.05 0.06 -0.00 0.62 -3.34 114.38 111.64 3ikm h ARG 227 Ca -0.01 0.01 0.01 0.00 -0.50 0.00 0.00 59.98 59.49 3ikm h ARG 227 Cb 1.24 0.03 -0.03 0.00 0.00 0.00 0.00 29.97 31.22 3ikm h ARG 227 CO 0.08 0.18 -0.30 1.37 0.00 0.00 0.00 179.97 181.30 3ikm h LEU 228 N -0.99 -0.90 -0.85 3.04 -0.00 -0.75 -3.12 115.31 111.73 3ikm h LEU 228 Ca -0.01 0.10 0.18 0.00 -0.00 0.00 0.00 57.88 58.14 3ikm h LEU 228 Cb 0.37 0.33 -0.16 0.00 -0.00 0.00 0.00 40.66 41.21 3ikm h LEU 228 CO 0.02 -0.31 -0.19 -0.37 -0.00 0.00 0.00 178.44 177.60 3ikm h VAL 229 N -0.41 0.15 0.41 0.15 -1.51 -1.77 -3.22 116.25 110.05 3ikm h VAL 229 Ca -0.00 -0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.45 3ikm h VAL 229 Cb 0.42 0.14 -0.00 0.00 -2.13 0.00 0.00 31.29 29.72 3ikm h VAL 229 CO -0.17 0.00 -0.23 -0.08 -1.23 0.00 0.00 177.57 175.86 3ikm h GLU 230 N 0.01 -0.58 -7.11 5.19 4.81 -1.66 -3.45 114.58 111.79 3ikm h GLU 230 Ca 0.42 0.04 -0.48 0.00 -0.13 0.00 0.00 59.36 59.21 3ikm h GLU 230 Cb 0.66 0.13 0.04 0.00 0.63 0.00 0.00 28.75 30.21 3ikm h GLU 230 CO -0.87 -0.39 0.39 -1.21 -0.73 0.00 0.00 179.01 176.20 3ikm s GLU 231 N -6.09 3.65 -1.03 1.92 0.41 -1.22 -4.77 118.70 111.57 3ikm s GLU 231 Ca -0.16 1.32 -0.30 0.00 -0.41 0.00 0.00 54.97 55.42 3ikm s GLU 231 Cb 0.05 -2.07 0.04 0.00 -1.78 0.00 0.00 34.13 30.37 3ikm s GLU 231 CO 0.64 -0.55 0.58 -2.13 -0.49 0.00 0.00 175.26 173.30 3ikm n ARG 232 N -1.28 -0.33 0.00 1.61 0.63 -1.26 -4.51 116.66 111.51 3ikm n ARG 232 Ca 0.09 -0.02 0.00 0.00 -0.92 0.00 0.00 57.85 57.00 3ikm n ARG 232 Cb 0.53 -1.93 0.00 0.00 0.45 0.00 0.00 32.46 31.50 3ikm n ARG 232 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3ikm n TYR 233 N -4.46 0.00 0.00 -0.14 4.01 -1.26 -4.90 117.16 110.41 3ikm n TYR 233 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 3ikm n TYR 233 Cb 0.48 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.50 3ikm n TYR 233 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3ikm n SER 234 N 0.00 0.00 -4.43 7.72 2.88 -1.26 -5.15 113.62 113.37 3ikm n SER 234 Ca 0.00 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.29 3ikm n SER 234 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 3ikm n SER 234 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 3ikm s TRP 235 N -4.00 1.99 0.00 0.66 -2.14 -1.26 -5.00 118.94 109.19 3ikm s TRP 235 Ca 0.00 -1.00 0.00 0.00 2.66 0.00 0.00 56.10 57.76 3ikm s TRP 235 Cb 0.00 -1.37 0.00 0.00 -3.10 0.00 0.00 33.47 29.00 3ikm s TRP 235 CO 0.00 0.03 0.00 -2.37 -2.66 0.00 0.00 176.95 171.95 3ikm n THR 236 N -0.87 0.00 0.00 0.66 5.66 -1.26 -4.80 114.28 113.67 3ikm n THR 236 Ca -0.06 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 3ikm n THR 236 Cb 0.66 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.44 3ikm n THR 236 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 3ikm n SER 237 N -3.32 0.00 -4.81 1.09 2.88 -1.26 -4.79 113.62 103.41 3ikm n SER 237 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 3ikm n SER 237 Cb 0.00 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.54 3ikm n SER 237 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3ikm s GLN 238 N 0.00 2.40 -0.51 -1.46 -1.52 -1.26 -4.91 119.66 112.40 3ikm s GLN 238 Ca 0.00 0.79 0.02 0.00 -1.95 0.00 0.00 55.36 54.22 3ikm s GLN 238 Cb 0.00 -1.94 0.59 0.00 -0.22 0.00 0.00 33.01 31.44 3ikm s GLN 238 CO 0.00 -1.43 1.93 1.28 -0.25 0.00 0.00 175.29 176.81 3ikm n LEU 239 N -3.33 6.91 -0.27 2.90 4.77 -1.26 -4.50 117.00 122.23 3ikm n LEU 239 Ca 0.07 -3.84 -0.02 0.00 -0.03 0.00 0.00 56.01 52.19 3ikm n LEU 239 Cb 0.55 -0.87 0.10 0.00 -2.33 0.00 0.00 43.42 40.87 3ikm n LEU 239 CO 0.56 1.20 1.16 0.28 -1.33 0.00 0.00 177.39 179.26 3ikm h SER 240 N 1.32 0.75 -0.14 -1.43 0.02 -1.92 1.66 113.55 113.81 3ikm h SER 240 Ca 0.61 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.57 3ikm h SER 240 Cb 2.19 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 64.57 3ikm h SER 240 CO 1.22 0.51 0.00 -2.65 -1.14 0.00 0.00 176.83 174.77 3ikm n PRO 241 N -4.66 1.37 -1.68 3.45 -0.02 -1.26 -3.36 135.00 128.85 3ikm n PRO 241 Ca 0.09 -0.52 -0.20 0.00 -2.02 0.00 0.00 63.50 60.85 3ikm n PRO 241 Cb 0.11 -1.17 0.06 0.00 -0.02 0.00 0.00 33.50 32.49 3ikm n PRO 241 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ikm n ALA 242 N -0.06 4.96 -0.01 3.55 0.00 0.56 -3.74 120.51 125.78 3ikm n ALA 242 Ca 0.05 -3.65 -0.17 0.00 0.00 0.00 0.00 53.44 49.66 3ikm n ALA 242 Cb 0.15 -0.52 -0.14 0.00 0.00 0.00 0.00 19.45 18.94 3ikm n ALA 242 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3ikm n ASP 243 N -0.81 1.74 0.15 0.00 2.03 -1.02 -3.38 116.55 115.25 3ikm n ASP 243 Ca 0.42 0.26 0.02 0.00 0.52 0.00 0.00 54.79 56.01 3ikm n ASP 243 Cb 0.91 -0.60 0.18 0.00 -0.72 0.00 0.00 41.12 40.89 3ikm n ASP 243 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 3ikm h LEU 244 N 0.05 0.00 0.25 -2.67 8.10 -1.81 -3.34 115.31 115.89 3ikm h LEU 244 Ca -0.39 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.59 3ikm h LEU 244 Cb 2.03 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 42.25 3ikm h LEU 244 CO 0.08 0.53 -0.12 0.16 -4.11 0.00 0.00 178.44 174.99 3ikm h ILE 245 N 0.00 0.68 -2.86 0.15 3.07 -1.64 -3.44 117.51 113.47 3ikm h ILE 245 Ca -0.01 -0.88 -0.29 0.00 1.55 0.00 0.00 64.86 65.24 3ikm h ILE 245 Cb 1.15 1.08 0.15 0.00 -0.27 0.00 0.00 36.82 38.93 3ikm h ILE 245 CO 0.07 0.15 0.08 -0.81 -1.05 0.00 0.00 178.15 176.59 3ikm n PRO 246 N -5.03 -2.68 0.00 0.16 -0.05 -1.22 -4.70 135.00 121.49 3ikm n PRO 246 Ca -0.08 -1.29 0.00 0.00 -0.05 0.00 0.00 63.50 62.08 3ikm n PRO 246 Cb 0.26 -1.23 0.00 0.00 -0.05 0.00 0.00 33.50 32.48 3ikm n PRO 246 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 175.50 176.73 3ikm n LEU 247 N 0.00 0.00 0.00 1.53 4.32 -1.26 -4.86 117.00 116.73 3ikm n LEU 247 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.10 3ikm n LEU 247 Cb 0.44 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.24 3ikm n LEU 247 CO 0.30 -0.07 0.00 -0.62 -1.22 0.00 0.00 177.39 175.78 3ikm n GLU 248 N 0.00 0.00 -2.08 3.23 -0.58 -1.26 -4.06 120.64 115.88 3ikm n GLU 248 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3ikm n GLU 248 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3ikm n GLU 248 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3ikm n VAL 249 N 0.00 -3.73 0.04 2.62 0.31 -1.26 -4.32 118.33 112.00 3ikm n VAL 249 Ca 0.00 0.88 -0.08 0.00 -0.01 0.00 0.00 64.34 65.13 3ikm n VAL 249 Cb 0.00 -2.73 0.07 0.00 -0.91 0.00 0.00 33.84 30.27 3ikm n VAL 249 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3ikm h PRO 250 N 4.06 0.41 0.00 5.55 0.13 -1.99 -3.24 132.00 136.92 3ikm h PRO 250 Ca 0.00 -0.28 -0.20 0.00 -0.87 0.00 0.00 66.00 64.65 3ikm h PRO 250 Cb 0.00 0.04 0.02 0.00 0.13 0.00 0.00 31.00 31.19 3ikm h PRO 250 CO 0.00 0.90 -0.78 0.00 -0.23 0.00 0.00 178.00 177.88 3ikm h THR 251 N 0.31 1.37 -4.19 1.56 1.03 -1.92 -3.45 112.91 107.62 3ikm h THR 251 Ca -0.01 -2.16 -0.38 0.00 -0.01 0.00 0.00 66.41 63.86 3ikm h THR 251 Cb 1.14 2.53 0.06 0.00 -1.07 0.00 0.00 68.15 70.81 3ikm h THR 251 CO 0.11 0.64 -0.57 0.61 -0.01 0.00 0.00 175.52 176.30 3ikm n GLY 252 N 1.09 -0.44 0.80 2.99 0.00 -1.23 0.30 105.19 108.71 3ikm n GLY 252 Ca -0.11 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3ikm n GLY 252 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ikm n ALA 253 N -3.45 0.00 0.00 4.61 0.00 -1.26 -2.07 120.51 118.34 3ikm n ALA 253 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3ikm n ALA 253 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 3ikm n ALA 253 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ikm n SER 254 N 0.00 0.00 0.00 0.00 2.88 0.52 -4.84 113.62 112.18 3ikm n SER 254 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3ikm n SER 254 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3ikm n SER 254 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 3ikm n SER 255 N 0.00 0.00 0.07 -3.46 2.88 0.87 -4.82 113.62 109.17 3ikm n SER 255 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 3ikm n SER 255 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 3ikm n SER 255 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3ikm h PRO 256 N 0.00 0.31 -0.10 -1.46 0.11 -1.62 -3.40 132.00 125.85 3ikm h PRO 256 Ca 0.00 -0.32 -0.08 0.00 0.11 0.00 0.00 66.00 65.71 3ikm h PRO 256 Cb 0.00 0.09 -0.08 0.00 0.11 0.00 0.00 31.00 31.12 3ikm h PRO 256 CO 0.00 1.00 -0.57 2.41 -0.21 0.00 0.00 178.00 180.63 3ikm n THR 257 N -3.73 2.14 -3.39 -1.15 -1.04 -1.26 -4.92 114.28 100.92 3ikm n THR 257 Ca -0.05 -3.26 -0.17 0.00 -2.04 0.00 0.00 64.05 58.53 3ikm n THR 257 Cb 0.79 -0.28 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 3ikm n THR 257 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ikm n GLN 258 N -0.99 -1.03 0.00 -2.82 -0.00 -1.26 0.13 117.38 111.42 3ikm n GLN 258 Ca 0.21 0.48 0.00 0.00 -0.00 0.00 0.00 57.00 57.70 3ikm n GLN 258 Cb 0.75 -1.48 0.00 0.00 -0.00 0.00 0.00 30.24 29.51 3ikm n GLN 258 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 3ikm n ARG 259 N -1.98 0.00 -1.49 2.61 3.00 -1.26 -4.50 116.66 113.03 3ikm n ARG 259 Ca -0.22 0.00 -0.06 0.00 -0.00 0.00 0.00 57.85 57.57 3ikm n ARG 259 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.91 3ikm n ARG 259 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 3ikm n ASP 260 N 2.13 -3.28 -4.38 6.15 3.85 0.12 -5.04 116.55 116.11 3ikm n ASP 260 Ca 0.00 0.10 -0.33 0.00 -0.71 0.00 0.00 54.79 53.85 3ikm n ASP 260 Cb 0.00 -1.76 -0.14 0.00 -1.35 0.00 0.00 41.12 37.87 3ikm n ASP 260 CO 0.00 0.00 0.00 0.26 -1.01 0.00 0.00 177.20 176.45 3ikm s TRP 261 N -2.25 2.76 0.00 2.11 0.52 -1.26 -5.02 118.94 115.80 3ikm s TRP 261 Ca 0.00 -0.59 0.00 0.00 0.02 0.00 0.00 56.10 55.53 3ikm s TRP 261 Cb 0.00 -1.79 0.00 0.00 -1.15 0.00 0.00 33.47 30.53 3ikm s TRP 261 CO 0.00 -0.16 0.00 1.04 0.02 0.00 0.00 176.95 177.85 3ikm n GLN 262 N 3.29 0.00 -1.94 4.98 1.13 -1.26 -4.73 117.38 118.85 3ikm n GLN 262 Ca -0.18 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.46 3ikm n GLN 262 Cb 0.53 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.85 3ikm n GLN 262 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 3ikm s GLU 263 N 0.00 4.22 -0.13 -1.09 -1.05 -1.26 -4.99 118.70 114.40 3ikm s GLU 263 Ca 0.00 2.36 -0.02 0.00 -0.15 0.00 0.00 54.97 57.17 3ikm s GLU 263 Cb 0.00 -3.13 -0.02 0.00 -0.44 0.00 0.00 34.13 30.53 3ikm s GLU 263 CO 0.00 -0.56 -0.08 -0.65 0.95 0.00 0.00 175.26 174.92 3ikm s GLN 264 N 0.65 3.39 0.44 -4.83 -1.52 -1.26 -4.88 119.66 111.65 3ikm s GLN 264 Ca 0.67 -0.58 -0.23 0.00 -1.95 0.00 0.00 55.36 53.27 3ikm s GLN 264 Cb -0.44 -2.75 -0.08 0.00 -0.22 0.00 0.00 33.01 29.52 3ikm s GLN 264 CO 0.35 0.32 1.07 -1.17 -0.25 0.00 0.00 175.29 175.61 3ikm s LEU 265 N 0.13 4.03 -0.82 2.90 0.20 -1.19 -4.79 118.68 119.13 3ikm s LEU 265 Ca -0.03 2.07 -0.16 0.00 0.69 0.00 0.00 54.13 56.70 3ikm s LEU 265 Cb -0.14 -4.30 0.18 0.00 -0.43 0.00 0.00 46.19 41.50 3ikm s LEU 265 CO 0.04 -0.68 0.85 0.54 -0.29 0.00 0.00 176.35 176.80 3ikm s VAL 266 N -1.72 5.30 1.01 1.68 0.11 -1.26 -4.61 120.40 120.91 3ikm s VAL 266 Ca 0.62 -2.07 -0.17 0.00 -2.93 0.00 0.00 61.98 57.43 3ikm s VAL 266 Cb -0.22 -4.55 -0.01 0.00 -1.53 0.00 0.00 36.38 30.07 3ikm s VAL 266 CO 0.27 -1.16 -0.14 0.52 -3.33 0.00 0.00 175.10 171.26 3ikm n VAL 267 N 4.56 0.00 -3.28 2.04 0.31 -1.25 -4.83 118.33 115.88 3ikm n VAL 267 Ca 0.13 -0.26 -0.33 0.00 -0.01 0.00 0.00 64.34 63.87 3ikm n VAL 267 Cb 0.47 -0.43 -0.05 0.00 -0.91 0.00 0.00 33.84 32.92 3ikm n VAL 267 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ikm n GLY 268 N 2.24 4.93 3.79 2.92 0.00 -0.93 -4.49 105.19 113.64 3ikm n GLY 268 Ca 0.03 -2.73 -0.38 0.00 0.00 0.00 0.00 46.02 42.93 3ikm n GLY 268 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3ikm s HIS 269 N -2.56 3.82 -0.28 1.61 -3.43 -1.26 -4.68 115.29 108.52 3ikm s HIS 269 Ca 0.36 1.52 -0.25 0.00 -0.80 0.00 0.00 55.06 55.89 3ikm s HIS 269 Cb 0.10 -2.69 0.00 0.00 -1.43 0.00 0.00 32.58 28.56 3ikm s HIS 269 CO 0.03 0.47 0.85 -0.80 -2.00 0.00 0.00 174.74 173.30 3ikm s ASN 270 N -1.29 6.79 0.11 7.38 -0.87 -1.26 0.35 114.94 126.15 3ikm s ASN 270 Ca 0.37 0.89 0.00 0.00 -1.57 0.00 0.00 52.86 52.55 3ikm s ASN 270 Cb -0.21 -2.44 0.00 0.00 -0.02 0.00 0.00 41.25 38.58 3ikm s ASN 270 CO 0.24 -0.61 0.00 0.52 -2.57 0.00 0.00 177.10 174.67 3ikm n VAL 271 N 5.46 0.00 -1.36 1.60 0.31 -1.26 -3.29 118.33 119.79 3ikm n VAL 271 Ca 0.06 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.08 3ikm n VAL 271 Cb 0.48 0.00 0.08 0.00 -0.91 0.00 0.00 33.84 33.49 3ikm n VAL 271 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3ikm s SER 272 N -4.00 4.70 -0.87 4.52 0.01 -1.26 -2.24 113.70 114.56 3ikm s SER 272 Ca 0.00 1.72 0.00 0.00 1.31 0.00 0.00 55.95 58.98 3ikm s SER 272 Cb 0.00 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.76 3ikm s SER 272 CO 0.00 -1.89 0.00 0.49 0.41 0.00 0.00 173.24 172.25 3ikm n PHE 273 N -3.43 0.00 -0.01 2.43 3.72 -1.25 -4.22 117.46 114.70 3ikm n PHE 273 Ca 0.08 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.49 3ikm n PHE 273 Cb 0.53 -1.89 -0.04 0.00 -0.94 0.00 0.00 39.48 37.15 3ikm n PHE 273 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3ikm n ASP 274 N -0.18 3.89 0.46 4.37 8.00 -0.95 -3.05 116.55 129.09 3ikm n ASP 274 Ca -0.08 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.23 3ikm n ASP 274 Cb 0.37 1.00 -0.09 0.00 -0.02 0.00 0.00 41.12 42.37 3ikm n ASP 274 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3ikm h ARG 275 N 0.00 -1.17 -0.86 -1.24 2.43 -1.73 2.68 114.38 114.49 3ikm h ARG 275 Ca -0.04 0.08 0.08 0.00 -0.81 0.00 0.00 59.98 59.28 3ikm h ARG 275 Cb 0.61 0.27 -0.11 0.00 -0.42 0.00 0.00 29.97 30.32 3ikm h ARG 275 CO 0.00 -0.78 -0.56 0.00 -1.51 0.00 0.00 179.97 177.12 3ikm h ALA 276 N -1.33 -0.57 0.28 2.80 0.00 -1.84 3.17 119.26 121.77 3ikm h ALA 276 Ca -0.12 0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3ikm h ALA 276 Cb 0.95 1.32 -0.03 0.00 0.00 0.00 0.00 17.79 20.03 3ikm h ALA 276 CO 0.16 -0.95 -0.44 0.45 0.00 0.00 0.00 179.25 178.48 3ikm h HIS 277 N -0.06 -1.22 0.00 0.00 3.86 -1.40 -3.29 115.15 113.04 3ikm h HIS 277 Ca 0.14 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 3ikm h HIS 277 Cb 0.42 0.50 0.00 0.00 1.06 0.00 0.00 27.41 29.39 3ikm h HIS 277 CO -0.98 -0.56 0.00 -0.89 0.86 0.00 0.00 177.93 176.36 3ikm n ILE 278 N -5.49 0.00 -0.59 2.45 2.08 0.90 -4.30 119.36 114.40 3ikm n ILE 278 Ca -0.09 1.17 0.45 0.00 0.56 0.00 0.00 62.75 64.85 3ikm n ILE 278 Cb 0.40 -1.95 0.71 0.00 -0.75 0.00 0.00 39.64 38.05 3ikm n ILE 278 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3ikm n ARG 279 N -1.33 -0.01 0.02 0.38 5.12 1.00 -2.47 116.66 119.38 3ikm n ARG 279 Ca 0.00 1.00 0.11 0.00 -1.93 0.00 0.00 57.85 57.03 3ikm n ARG 279 Cb 0.00 -2.23 -0.13 0.00 -1.16 0.00 0.00 32.46 28.95 3ikm n ARG 279 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3ikm n GLU 280 N -3.86 0.63 0.13 5.56 1.02 -1.25 -3.85 120.64 119.02 3ikm n GLU 280 Ca 0.39 -0.12 0.12 0.00 -0.02 0.00 0.00 57.16 57.53 3ikm n GLU 280 Cb 1.73 -1.59 0.28 0.00 -0.02 0.00 0.00 31.44 31.83 3ikm n GLU 280 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 3ikm h GLN 281 N 0.00 0.00 -0.02 3.49 4.15 -1.65 -2.91 115.11 118.17 3ikm h GLN 281 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3ikm h GLN 281 Cb 0.99 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.68 3ikm h GLN 281 CO 0.00 0.00 -0.10 0.66 -1.93 0.00 0.00 178.83 177.46 3ikm n TYR 282 N -2.53 0.00 -0.04 3.99 4.02 -1.06 -3.33 117.16 118.22 3ikm n TYR 282 Ca 0.04 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.93 3ikm n TYR 282 Cb 0.47 -0.01 -0.00 0.00 -0.02 0.00 0.00 39.34 39.78 3ikm n TYR 282 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 3ikm h LEU 283 N 3.76 0.00 -0.90 7.72 7.12 -1.62 -3.30 115.31 128.10 3ikm h LEU 283 Ca 0.00 0.00 0.16 0.00 0.13 0.00 0.00 57.88 58.17 3ikm h LEU 283 Cb 0.86 0.00 -0.10 0.00 -0.53 0.00 0.00 40.66 40.89 3ikm h LEU 283 CO 0.00 0.36 0.49 0.40 -0.13 0.00 0.00 178.44 179.56 3ikm h ILE 284 N -0.63 0.73 -5.17 4.05 5.03 -1.76 -3.47 117.51 116.30 3ikm h ILE 284 Ca 0.00 -0.23 0.00 0.00 -0.12 0.00 0.00 64.86 64.51 3ikm h ILE 284 Cb 0.09 -0.01 0.00 0.00 -3.03 0.00 0.00 36.82 33.87 3ikm h ILE 284 CO 0.00 0.12 -0.59 1.67 -0.68 0.00 0.00 178.15 178.67 3ikm n GLN 285 N -4.83 -2.56 -3.88 2.37 0.00 -1.21 -5.08 117.38 102.19 3ikm n GLN 285 Ca 0.19 2.22 -0.07 0.00 -0.00 0.00 0.00 57.00 59.34 3ikm n GLN 285 Cb 0.47 -5.48 -0.02 0.00 0.00 0.00 0.00 30.24 25.21 3ikm n GLN 285 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 3ikm s GLY 286 N -2.33 0.00 0.00 1.69 0.00 -1.25 -5.05 107.32 100.38 3ikm s GLY 286 Ca 0.19 -0.39 0.00 0.00 0.00 0.00 0.00 44.72 44.51 3ikm s GLY 286 CO 0.75 -0.16 0.00 -1.14 0.00 0.00 0.00 173.10 172.55 3ikm n SER 287 N -0.48 -0.40 -1.86 1.64 3.41 -1.26 -4.78 113.62 109.88 3ikm n SER 287 Ca -0.04 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.59 3ikm n SER 287 Cb 0.59 0.47 0.35 0.00 -0.26 0.00 0.00 64.21 65.36 3ikm n SER 287 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3ikm n ARG 288 N 0.57 4.24 -2.55 4.33 3.00 -1.26 -4.98 116.66 120.00 3ikm n ARG 288 Ca 0.00 -3.12 -0.41 0.00 -0.01 0.00 0.00 57.85 54.31 3ikm n ARG 288 Cb 0.00 -2.21 -0.04 0.00 0.00 0.00 0.00 32.46 30.21 3ikm n ARG 288 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.63 179.04 3ikm s MET 289 N -2.88 4.61 -0.07 5.56 1.75 -1.26 -4.96 119.30 122.04 3ikm s MET 289 Ca 0.54 1.68 0.01 0.00 -1.25 0.00 0.00 55.69 56.67 3ikm s MET 289 Cb 0.42 -3.29 0.02 0.00 2.84 0.00 0.00 34.83 34.82 3ikm s MET 289 CO 0.14 0.09 -0.09 1.03 -0.65 0.00 0.00 175.02 175.54 3ikm s ARG 290 N -0.27 1.44 -1.14 4.11 3.00 -1.26 -5.03 118.95 119.79 3ikm s ARG 290 Ca 0.49 -0.30 -0.04 0.00 0.00 0.00 0.00 55.73 55.89 3ikm s ARG 290 Cb -0.28 -1.31 0.25 0.00 0.00 0.00 0.00 34.95 33.61 3ikm s ARG 290 CO 0.34 -0.07 1.84 1.19 0.00 0.00 0.00 175.30 178.60 3ikm n PHE 291 N 4.15 2.58 -1.53 -0.53 3.01 -1.26 -4.37 117.46 119.51 3ikm n PHE 291 Ca -0.21 -2.65 -0.30 0.00 1.01 0.00 0.00 57.45 55.30 3ikm n PHE 291 Cb 0.51 -1.46 -0.11 0.00 -0.01 0.00 0.00 39.48 38.41 3ikm n PHE 291 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3ikm n LEU 292 N 1.35 0.98 -4.55 4.37 4.32 -1.26 -4.76 117.00 117.45 3ikm n LEU 292 Ca 0.42 -0.52 -0.43 0.00 -0.02 0.00 0.00 56.01 55.46 3ikm n LEU 292 Cb 0.30 -1.23 -0.00 0.00 -1.62 0.00 0.00 43.42 40.86 3ikm n LEU 292 CO 0.67 -1.53 0.41 -0.67 -1.22 0.00 0.00 177.39 175.05 3ikm n ASP 293 N 13.18 0.58 0.24 -1.43 4.64 -1.25 -4.17 116.55 128.34 3ikm n ASP 293 Ca 0.53 1.07 -0.14 0.00 -1.38 0.00 0.00 54.79 54.87 3ikm n ASP 293 Cb 0.31 -1.24 -0.08 0.00 -1.04 0.00 0.00 41.12 39.07 3ikm n ASP 293 CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 3ikm h THR 294 N 1.51 0.41 -0.52 5.18 1.35 -0.36 0.62 112.91 121.10 3ikm h THR 294 Ca -0.40 -0.46 0.01 0.00 -0.55 0.00 0.00 66.41 65.01 3ikm h THR 294 Cb 1.36 0.58 -0.03 0.00 -1.73 0.00 0.00 68.15 68.34 3ikm h THR 294 CO 0.57 0.06 0.34 0.24 -0.25 0.00 0.00 175.52 176.49 3ikm h MET 295 N -0.94 0.68 -0.29 4.72 2.07 -1.90 0.48 114.93 119.75 3ikm h MET 295 Ca -0.06 -0.04 0.03 0.00 -2.07 0.00 0.00 59.70 57.55 3ikm h MET 295 Cb 0.59 -0.15 -0.03 0.00 -1.87 0.00 0.00 31.60 30.13 3ikm h MET 295 CO 0.11 0.45 -0.17 0.45 1.07 0.00 0.00 176.91 178.82 3ikm n SER 296 N -4.73 -0.30 -0.32 1.22 2.88 -1.06 0.28 113.62 111.58 3ikm n SER 296 Ca 0.03 1.12 -0.03 0.00 -1.33 0.00 0.00 58.87 58.66 3ikm n SER 296 Cb 0.03 -0.37 0.10 0.00 -0.75 0.00 0.00 64.21 63.21 3ikm n SER 296 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 3ikm h MET 297 N 0.00 1.11 0.30 -1.46 4.05 0.61 -3.22 114.93 116.32 3ikm h MET 297 Ca 0.05 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.38 3ikm h MET 297 Cb 0.12 -0.25 0.00 0.00 -0.80 0.00 0.00 31.60 30.67 3ikm h MET 297 CO -0.27 0.73 -0.15 0.45 0.23 0.00 0.00 176.91 177.91 3ikm h HIS 298 N 1.14 -0.38 -0.52 1.39 -0.00 0.64 -3.27 115.15 114.17 3ikm h HIS 298 Ca 0.33 -0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.74 3ikm h HIS 298 Cb -0.08 0.12 -0.05 0.00 -0.00 0.00 0.00 27.41 27.41 3ikm h HIS 298 CO -0.01 -0.23 0.25 0.52 -0.00 0.00 0.00 177.93 178.46 3ikm h MET 299 N -0.60 0.48 -0.05 2.45 2.86 0.38 -3.10 114.93 117.36 3ikm h MET 299 Ca -0.04 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.59 3ikm h MET 299 Cb 0.31 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.81 3ikm h MET 299 CO 0.07 0.32 -0.48 0.00 1.06 0.00 0.00 176.91 177.88 3ikm h ALA 300 N 1.28 -0.88 -0.80 6.32 0.00 -1.68 2.97 119.26 126.48 3ikm h ALA 300 Ca 0.23 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.16 3ikm h ALA 300 Cb 0.15 0.93 -0.07 0.00 0.00 0.00 0.00 17.79 18.80 3ikm h ALA 300 CO -0.17 -1.04 0.46 0.97 0.00 0.00 0.00 179.25 179.48 3ikm h ILE 301 N -0.57 0.93 0.14 0.00 -0.00 -1.59 -3.03 117.51 113.39 3ikm h ILE 301 Ca 0.02 -0.27 -0.35 0.00 -0.00 0.00 0.00 64.86 64.26 3ikm h ILE 301 Cb 0.63 0.07 -0.01 0.00 -0.00 0.00 0.00 36.82 37.51 3ikm h ILE 301 CO -0.35 0.14 -1.86 0.77 -0.00 0.00 0.00 178.15 176.86 3ikm h SER 302 N 0.79 0.45 0.00 2.19 4.64 -1.44 -3.40 113.55 116.78 3ikm h SER 302 Ca 0.38 -0.93 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 3ikm h SER 302 Cb 0.31 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3ikm h SER 302 CO -0.23 1.81 0.00 0.61 -0.87 0.00 0.00 176.83 178.16 3ikm n GLY 303 N 1.92 0.00 3.85 -0.77 0.00 0.99 -4.57 105.19 106.60 3ikm n GLY 303 Ca -0.30 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.51 3ikm n GLY 303 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ikm s LEU 304 N 0.00 3.77 0.48 0.99 1.43 -1.26 -4.62 118.68 119.48 3ikm s LEU 304 Ca 0.00 -0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 52.66 3ikm s LEU 304 Cb 0.00 -2.34 -0.06 0.00 0.03 0.00 0.00 46.19 43.81 3ikm s LEU 304 CO 0.00 -0.16 0.89 -0.44 0.23 0.00 0.00 176.35 176.87 3ikm s SER 305 N -3.91 6.50 0.00 2.29 0.01 -1.26 -4.73 113.70 112.59 3ikm s SER 305 Ca 0.36 1.32 0.00 0.00 1.31 0.00 0.00 55.95 58.94 3ikm s SER 305 Cb -0.07 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 63.75 3ikm s SER 305 CO 0.26 -0.55 0.54 -1.54 0.41 0.00 0.00 173.24 172.36 3ikm n SER 306 N -1.68 0.00 -0.03 2.44 3.41 -1.26 0.18 113.62 116.68 3ikm n SER 306 Ca 0.04 0.54 -0.08 0.00 -0.26 0.00 0.00 58.87 59.11 3ikm n SER 306 Cb 0.54 -0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.43 3ikm n SER 306 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 3ikm h PHE 307 N 0.00 -0.34 -0.32 7.33 -0.00 -1.94 0.45 116.94 122.12 3ikm h PHE 307 Ca 0.00 0.03 0.03 0.00 -0.00 0.00 0.00 57.97 58.02 3ikm h PHE 307 Cb 0.00 0.18 -0.04 0.00 -0.00 0.00 0.00 35.95 36.09 3ikm h PHE 307 CO -0.07 -0.20 -0.19 0.94 -0.00 0.00 0.00 178.31 178.79 3ikm n GLN 308 N -5.29 -0.14 -0.04 6.09 7.27 -0.98 0.80 117.38 125.09 3ikm n GLN 308 Ca -0.02 1.00 -0.11 0.00 0.07 0.00 0.00 57.00 57.95 3ikm n GLN 308 Cb 0.21 -1.49 -0.05 0.00 2.41 0.00 0.00 30.24 31.32 3ikm n GLN 308 CO 0.00 0.00 0.00 0.07 0.07 0.00 0.00 177.06 177.20 3ikm h ARG 309 N 0.00 0.25 -0.89 3.69 0.11 0.24 2.57 114.38 120.36 3ikm h ARG 309 Ca 0.05 -0.04 0.24 0.00 0.10 0.00 0.00 59.98 60.33 3ikm h ARG 309 Cb 0.13 -0.04 -0.15 0.00 1.11 0.00 0.00 29.97 31.02 3ikm h ARG 309 CO -0.31 0.31 0.19 0.66 0.10 0.00 0.00 179.97 180.93 3ikm h SER 310 N 0.14 -0.10 0.01 0.08 4.64 0.33 5.28 113.55 123.93 3ikm h SER 310 Ca 0.06 0.21 -0.05 0.00 -0.47 0.00 0.00 61.79 61.54 3ikm h SER 310 Cb 0.15 0.31 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3ikm h SER 310 CO -0.01 -0.20 -0.21 -0.07 -0.87 0.00 0.00 176.83 175.48 3ikm h LEU 311 N 0.16 0.17 -0.12 5.97 3.38 0.12 -3.15 115.31 121.82 3ikm h LEU 311 Ca 0.56 -0.83 0.03 0.00 0.09 0.00 0.00 57.88 57.73 3ikm h LEU 311 Cb 1.13 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.77 3ikm h LEU 311 CO -0.70 0.97 -0.50 -0.50 0.09 0.00 0.00 178.44 177.80 3ikm h TRP 312 N -0.62 -1.47 -0.59 1.13 -0.00 0.89 -2.66 115.95 112.62 3ikm h TRP 312 Ca -0.03 0.06 0.09 0.00 -0.00 0.00 0.00 58.89 59.01 3ikm h TRP 312 Cb 1.02 0.66 -0.11 0.00 -0.00 0.00 0.00 29.16 30.72 3ikm h TRP 312 CO 0.20 -0.53 -0.42 -0.84 -0.00 0.00 0.00 178.44 176.85 3ikm h ILE 313 N -0.56 0.10 -0.29 1.49 -0.00 1.03 -0.83 117.51 118.45 3ikm h ILE 313 Ca 0.05 0.00 0.03 0.00 -0.00 0.00 0.00 64.86 64.94 3ikm h ILE 313 Cb 0.67 0.10 -0.05 0.00 -0.00 0.00 0.00 36.82 37.54 3ikm h ILE 313 CO -0.42 0.00 -0.30 0.00 -0.00 0.00 0.00 178.15 177.43 3ikm h ALA 314 N 0.69 -0.49 -0.83 0.16 0.00 -1.43 -1.57 119.26 115.79 3ikm h ALA 314 Ca 0.19 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.16 3ikm h ALA 314 Cb 0.56 0.99 -0.05 0.00 0.00 0.00 0.00 17.79 19.29 3ikm h ALA 314 CO -0.70 -0.65 0.53 0.00 0.00 0.00 0.00 179.25 178.43 3ikm h ALA 315 N -0.54 1.11 0.08 0.00 0.00 -1.39 -3.26 119.26 115.26 3ikm h ALA 315 Ca 0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ikm h ALA 315 Cb 0.29 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3ikm h ALA 315 CO -0.36 0.33 -0.04 0.87 0.00 0.00 0.00 179.25 180.05 3ikm h LYS 316 N 1.01 -0.11 -0.88 0.00 1.57 -0.50 -3.31 116.57 114.35 3ikm h LYS 316 Ca 0.34 0.01 -0.43 0.00 -1.87 0.00 0.00 60.65 58.70 3ikm h LYS 316 Cb 0.06 0.02 -0.26 0.00 0.08 0.00 0.00 32.23 32.14 3ikm h LYS 316 CO -0.13 0.06 0.51 1.04 -0.57 0.00 0.00 179.45 180.36 3ikm n GLN 317 N -5.07 2.46 0.00 3.15 1.13 -0.65 -5.09 117.38 113.31 3ikm n GLN 317 Ca -0.08 -3.04 0.00 0.00 -1.94 0.00 0.00 57.00 51.94 3ikm n GLN 317 Cb 0.13 -2.15 0.00 0.00 0.11 0.00 0.00 30.24 28.34 3ikm n GLN 317 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3ikm n GLY 318 N -0.98 0.00 2.69 1.08 0.00 -1.23 -5.07 105.19 101.69 3ikm n GLY 318 Ca 0.54 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.50 3ikm n GLY 318 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3ikm n TRP 345 N 0.00 -1.50 -0.13 1.61 4.27 -1.26 -4.76 117.44 115.67 3ikm n TRP 345 Ca 0.00 -1.22 0.00 0.00 -3.89 0.00 0.00 57.50 52.39 3ikm n TRP 345 Cb 0.00 1.33 0.00 0.00 -1.36 0.00 0.00 31.31 31.28 3ikm n TRP 345 CO 0.00 0.00 0.00 -0.25 -2.29 0.00 0.00 177.69 175.15 3ikm n ASP 346 N 0.89 0.00 -3.49 -0.67 8.00 -1.26 -4.86 116.55 115.16 3ikm n ASP 346 Ca 0.01 -0.02 -0.21 0.00 0.71 0.00 0.00 54.79 55.27 3ikm n ASP 346 Cb 0.71 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.75 3ikm n ASP 346 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 3ikm n TRP 347 N -0.05 0.13 -3.74 1.24 2.14 -1.26 -5.02 117.44 110.88 3ikm n TRP 347 Ca 0.00 -2.19 -0.35 0.00 2.07 0.00 0.00 57.50 57.03 3ikm n TRP 347 Cb 0.00 -0.01 -0.10 0.00 -0.81 0.00 0.00 31.31 30.39 3ikm n TRP 347 CO 0.00 0.00 0.00 -1.17 2.07 0.00 0.00 177.69 178.59 3ikm s LEU 348 N 0.00 5.16 -0.81 5.67 1.98 -1.26 -4.93 118.68 124.48 3ikm s LEU 348 Ca 0.17 -3.12 0.02 0.00 -2.89 0.00 0.00 54.13 48.31 3ikm s LEU 348 Cb 0.01 -1.82 0.29 0.00 0.66 0.00 0.00 46.19 45.32 3ikm s LEU 348 CO 0.12 -0.29 1.12 0.47 -1.89 0.00 0.00 176.35 175.88 3ikm n ASP 349 N 3.10 5.08 -0.48 3.68 10.43 -1.26 -4.94 116.55 132.16 3ikm n ASP 349 Ca 0.11 -3.50 -0.02 0.00 2.57 0.00 0.00 54.79 53.95 3ikm n ASP 349 Cb 0.37 -0.89 -0.02 0.00 1.84 0.00 0.00 41.12 42.41 3ikm n ASP 349 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 3ikm n ILE 350 N 0.74 0.00 -1.10 0.53 -0.00 -1.26 -4.26 119.36 114.01 3ikm n ILE 350 Ca 0.31 -0.05 0.00 0.00 -0.00 0.00 0.00 62.75 63.00 3ikm n ILE 350 Cb 0.37 0.00 0.28 0.00 -0.00 0.00 0.00 39.64 40.28 3ikm n ILE 350 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 3ikm n SER 351 N 0.58 4.14 -4.27 4.38 7.64 -1.26 -3.74 113.62 121.09 3ikm n SER 351 Ca 0.06 -3.24 -0.33 0.00 1.01 0.00 0.00 58.87 56.36 3ikm n SER 351 Cb 0.03 -0.66 0.14 0.00 -1.01 0.00 0.00 64.21 62.71 3ikm n SER 351 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3ikm n SER 352 N -0.42 -2.55 -4.05 6.43 2.88 -1.26 -4.38 113.62 110.26 3ikm n SER 352 Ca 0.32 0.01 -0.30 0.00 -1.33 0.00 0.00 58.87 57.57 3ikm n SER 352 Cb 1.15 -0.96 0.20 0.00 -0.75 0.00 0.00 64.21 63.85 3ikm n SER 352 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3ikm s VAL 353 N -2.24 1.88 -1.52 2.46 -7.23 -1.26 -3.69 120.40 108.81 3ikm s VAL 353 Ca 0.53 0.00 -0.15 0.00 -1.81 0.00 0.00 61.98 60.55 3ikm s VAL 353 Cb -0.12 -2.85 0.13 0.00 0.56 0.00 0.00 36.38 34.10 3ikm s VAL 353 CO 0.67 0.00 0.68 0.59 -0.31 0.00 0.00 175.10 176.73 3ikm n ASN 354 N -4.05 -3.37 0.00 4.85 4.13 -1.26 -3.76 115.26 111.80 3ikm n ASN 354 Ca 0.14 -0.78 0.00 0.00 1.68 0.00 0.00 54.58 55.63 3ikm n ASN 354 Cb 0.59 -2.77 0.00 0.00 -1.54 0.00 0.00 39.78 36.06 3ikm n ASN 354 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3ikm n SER 355 N -2.50 -3.50 -0.01 6.41 3.41 -1.26 -4.76 113.62 111.42 3ikm n SER 355 Ca 0.05 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.65 3ikm n SER 355 Cb 0.50 -1.87 -0.02 0.00 -0.26 0.00 0.00 64.21 62.56 3ikm n SER 355 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ikm n LEU 356 N 0.00 0.00 -0.00 1.04 4.77 -1.26 -4.72 117.00 116.83 3ikm n LEU 356 Ca 0.00 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.02 3ikm n LEU 356 Cb 0.20 0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.28 3ikm n LEU 356 CO 0.00 0.06 -0.43 0.00 -1.33 0.00 0.00 177.39 175.68 3ikm n ALA 357 N -2.01 2.55 0.48 -1.18 0.00 -1.25 -3.89 120.51 115.22 3ikm n ALA 357 Ca -0.04 -0.22 0.05 0.00 0.00 0.00 0.00 53.44 53.23 3ikm n ALA 357 Cb 0.50 -0.30 0.25 0.00 0.00 0.00 0.00 19.45 19.89 3ikm n ALA 357 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3ikm n GLU 358 N -1.63 0.18 -0.02 0.00 -0.58 -1.24 -0.35 120.64 117.00 3ikm n GLU 358 Ca -0.01 0.14 -0.10 0.00 -0.42 0.00 0.00 57.16 56.77 3ikm n GLU 358 Cb 0.20 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.43 3ikm n GLU 358 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3ikm n VAL 359 N -1.20 1.63 -0.34 2.62 0.31 -1.26 -2.44 118.33 117.66 3ikm n VAL 359 Ca 0.05 -0.78 0.05 0.00 -0.01 0.00 0.00 64.34 63.65 3ikm n VAL 359 Cb 0.06 -1.13 0.13 0.00 -0.91 0.00 0.00 33.84 31.99 3ikm n VAL 359 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 3ikm h HIS 360 N 0.01 -0.50 -0.14 3.52 3.86 -0.81 0.15 115.15 121.24 3ikm h HIS 360 Ca -0.31 0.09 0.02 0.00 -1.16 0.00 0.00 60.37 59.00 3ikm h HIS 360 Cb 2.02 0.37 -0.03 0.00 1.06 0.00 0.00 27.41 30.83 3ikm h HIS 360 CO 0.01 -0.41 -0.18 -0.09 0.86 0.00 0.00 177.93 178.13 3ikm h ARG 361 N 0.00 -0.11 0.00 2.45 2.43 -1.12 -3.10 114.38 114.93 3ikm h ARG 361 Ca 0.46 0.01 -0.25 0.00 -0.81 0.00 0.00 59.98 59.38 3ikm h ARG 361 Cb 0.69 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.23 3ikm h ARG 361 CO -0.97 -0.07 -1.55 -0.07 -1.51 0.00 0.00 179.97 175.79 3ikm h LEU 362 N -0.11 0.00 0.00 3.80 4.07 -1.16 -3.44 115.31 118.47 3ikm h LEU 362 Ca 0.02 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.84 3ikm h LEU 362 Cb 0.18 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.90 3ikm h LEU 362 CO -0.19 0.89 -1.33 0.00 -1.08 0.00 0.00 178.44 176.72 3ikm n TYR 363 N -3.04 0.00 -0.53 1.13 9.36 -0.26 -5.08 117.16 118.74 3ikm n TYR 363 Ca -0.13 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.09 3ikm n TYR 363 Cb 0.99 -0.37 0.00 0.00 -0.63 0.00 0.00 39.34 39.33 3ikm n TYR 363 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 3ikm n VAL 364 N -3.63 0.00 -3.74 2.97 0.31 0.35 -5.03 118.33 109.57 3ikm n VAL 364 Ca -0.19 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.01 3ikm n VAL 364 Cb 0.55 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 33.34 3ikm n VAL 364 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3ikm s GLY 365 N -1.57 -0.06 0.00 2.92 0.00 -1.26 -4.91 107.32 102.44 3ikm s GLY 365 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 44.72 45.49 3ikm s GLY 365 CO 0.00 1.06 0.00 0.61 0.00 0.00 0.00 173.10 174.77 3ikm n GLY 366 N 4.20 0.33 0.14 0.20 0.00 -1.26 -4.96 105.19 103.84 3ikm n GLY 366 Ca -0.26 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.75 3ikm n GLY 366 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ikm h PRO 367 N 0.67 0.00 -4.27 1.61 0.13 -1.91 -3.40 132.00 124.83 3ikm h PRO 367 Ca 0.00 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.78 3ikm h PRO 367 Cb 0.34 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.17 3ikm h PRO 367 CO 0.00 0.60 -0.76 -1.25 -0.23 0.00 0.00 178.00 176.36 3ikm s PRO 368 N -3.59 0.55 -0.40 1.56 0.04 -1.26 -4.26 135.00 127.64 3ikm s PRO 368 Ca -0.01 -0.17 0.03 0.00 0.04 0.00 0.00 61.00 60.89 3ikm s PRO 368 Cb 0.12 -0.55 0.11 0.00 0.04 0.00 0.00 34.50 34.22 3ikm s PRO 368 CO 0.76 0.07 0.13 -0.51 0.04 0.00 0.00 177.00 177.49 3ikm s LEU 369 N 0.17 4.17 -0.31 -3.56 1.43 -1.26 -5.09 118.68 114.23 3ikm s LEU 369 Ca -0.02 -2.39 -0.29 0.00 -1.03 0.00 0.00 54.13 50.40 3ikm s LEU 369 Cb -0.06 -1.50 -0.07 0.00 0.03 0.00 0.00 46.19 44.60 3ikm s LEU 369 CO -0.00 -0.33 2.27 -0.62 0.23 0.00 0.00 176.35 177.90 3ikm n GLU 370 N 3.92 1.61 0.00 1.70 1.02 -1.26 -4.11 120.64 123.52 3ikm n GLU 370 Ca 0.04 0.38 0.00 0.00 -0.02 0.00 0.00 57.16 57.56 3ikm n GLU 370 Cb 0.38 -3.14 0.00 0.00 -0.02 0.00 0.00 31.44 28.67 3ikm n GLU 370 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3ikm n LYS 371 N 8.73 0.00 0.00 3.49 0.00 -1.26 -4.36 118.16 124.76 3ikm n LYS 371 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.65 3ikm n LYS 371 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.46 3ikm n LYS 371 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3ikm n GLU 372 N 0.00 0.00 0.00 1.64 -0.58 -1.26 -4.68 120.64 115.76 3ikm n GLU 372 Ca 0.00 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.86 3ikm n GLU 372 Cb 0.00 0.00 0.16 0.00 -0.57 0.00 0.00 31.44 31.03 3ikm n GLU 372 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 3ikm n PRO 373 N 0.00 1.14 0.00 3.49 -0.02 -1.26 -3.79 135.00 134.56 3ikm n PRO 373 Ca 0.00 -0.85 0.00 0.00 -2.02 0.00 0.00 63.50 60.63 3ikm n PRO 373 Cb 0.00 -1.48 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 3ikm n PRO 373 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3ikm n ARG 374 N -0.19 0.00 -0.16 -0.52 1.74 -1.26 -3.75 116.66 112.52 3ikm n ARG 374 Ca 0.11 0.06 -0.02 0.00 -0.77 0.00 0.00 57.85 57.22 3ikm n ARG 374 Cb 0.43 -0.37 0.06 0.00 -1.02 0.00 0.00 32.46 31.56 3ikm n ARG 374 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 3ikm h GLU 375 N 0.00 0.11 -0.40 5.56 4.57 -1.80 2.17 114.58 124.78 3ikm h GLU 375 Ca 0.00 -0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.26 3ikm h GLU 375 Cb 0.00 -0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 28.47 3ikm h GLU 375 CO 0.00 0.07 -0.28 1.25 -1.18 0.00 0.00 179.01 178.88 3ikm h LEU 376 N 0.11 -0.92 -0.18 1.64 5.85 -1.82 20.70 115.31 140.70 3ikm h LEU 376 Ca 0.26 0.18 0.00 0.00 0.84 0.00 0.00 57.88 59.15 3ikm h LEU 376 Cb 0.39 0.45 0.00 0.00 0.37 0.00 0.00 40.66 41.87 3ikm h LEU 376 CO -0.43 -0.29 0.00 0.33 -0.34 0.00 0.00 178.44 177.71 3ikm n PHE 377 N -5.41 0.00 -1.62 1.25 7.35 0.85 -3.84 117.46 116.04 3ikm n PHE 377 Ca 0.02 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.69 3ikm n PHE 377 Cb 0.32 -0.02 -0.02 0.00 0.35 0.00 0.00 39.48 40.12 3ikm n PHE 377 CO 0.00 0.00 0.00 1.33 -0.76 0.00 0.00 176.76 177.33 3ikm n VAL 378 N -0.40 0.00 -3.52 -2.13 0.24 1.09 -4.93 118.33 108.68 3ikm n VAL 378 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.89 3ikm n VAL 378 Cb 0.04 0.13 -0.10 0.00 -1.47 0.00 0.00 33.84 32.44 3ikm n VAL 378 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 3ikm s LYS 379 N 0.00 3.44 0.00 7.34 0.00 6.10 -4.57 119.74 132.04 3ikm s LYS 379 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 55.97 55.29 3ikm s LYS 379 Cb 0.00 -3.83 0.00 0.00 0.00 0.00 0.00 37.83 34.00 3ikm s LYS 379 CO 0.00 -0.48 0.00 0.41 0.00 0.00 0.00 175.35 175.28 3ikm n GLY 380 N 5.11 0.25 7.00 0.59 0.00 -1.26 -3.69 105.19 113.19 3ikm n GLY 380 Ca -0.12 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.23 3ikm n GLY 380 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3ikm n THR 381 N 0.76 0.00 0.00 2.61 5.66 -1.26 -4.41 114.28 117.63 3ikm n THR 381 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3ikm n THR 381 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 3ikm n THR 381 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 3ikm n MET 382 N -0.80 0.00 -0.11 1.09 2.81 -1.26 -4.58 117.12 114.27 3ikm n MET 382 Ca 0.00 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.81 3ikm n MET 382 Cb 0.00 0.00 -0.00 0.00 -0.71 0.00 0.00 33.22 32.51 3ikm n MET 382 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3ikm h LYS 383 N 0.00 0.43 0.00 0.03 1.79 -1.94 -3.20 116.57 113.68 3ikm h LYS 383 Ca 0.00 -0.03 -0.21 0.00 -2.18 0.00 0.00 60.65 58.23 3ikm h LYS 383 Cb 0.00 -0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 30.52 3ikm h LYS 383 CO 0.00 0.28 -1.38 0.38 -1.08 0.00 0.00 179.45 177.65 3ikm h ASP 384 N 0.44 0.00 -0.96 0.86 2.03 -1.97 -3.29 116.42 113.53 3ikm h ASP 384 Ca 0.14 0.00 0.20 0.00 -0.73 0.00 0.00 57.03 56.64 3ikm h ASP 384 Cb -0.01 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 38.40 3ikm h ASP 384 CO -0.06 0.76 0.61 -0.29 -1.03 0.00 0.00 179.24 179.24 3ikm h ILE 385 N 0.00 0.68 0.79 4.15 2.10 -1.88 -1.22 117.51 122.14 3ikm h ILE 385 Ca -0.17 -0.19 -0.04 0.00 1.08 0.00 0.00 64.86 65.53 3ikm h ILE 385 Cb 1.74 0.07 0.01 0.00 -1.09 0.00 0.00 36.82 37.54 3ikm h ILE 385 CO 0.07 0.10 -0.41 0.08 -1.08 0.00 0.00 178.15 176.91 3ikm h ARG 386 N 0.57 -1.06 -0.25 2.19 0.11 -1.62 0.88 114.38 115.20 3ikm h ARG 386 Ca 0.52 0.07 0.07 0.00 0.10 0.00 0.00 59.98 60.75 3ikm h ARG 386 Cb 1.07 0.24 -0.01 0.00 1.11 0.00 0.00 29.97 32.38 3ikm h ARG 386 CO -0.27 -0.71 0.20 1.49 0.10 0.00 0.00 179.97 180.79 3ikm h GLU 387 N -1.10 0.00 0.00 0.08 4.57 -1.65 1.46 114.58 117.93 3ikm h GLU 387 Ca -0.11 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 3ikm h GLU 387 Cb 0.85 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.44 3ikm h GLU 387 CO 0.16 0.00 0.00 -0.91 -1.18 0.00 0.00 179.01 177.08 3ikm h ASN 388 N 0.00 0.00 0.63 1.04 4.21 -0.07 -3.04 115.58 118.35 3ikm h ASN 388 Ca 0.12 0.00 -0.17 0.00 1.21 0.00 0.00 56.30 57.46 3ikm h ASN 388 Cb 0.53 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.71 3ikm h ASN 388 CO -0.00 0.00 -0.77 2.19 -1.29 0.00 0.00 177.43 177.55 3ikm h PHE 389 N 0.00 0.16 0.00 1.19 -5.15 0.94 -3.23 116.94 110.85 3ikm h PHE 389 Ca 0.00 -0.08 -0.00 0.00 -0.20 0.00 0.00 57.97 57.69 3ikm h PHE 389 Cb 0.47 -0.02 -0.00 0.00 0.22 0.00 0.00 35.95 36.62 3ikm h PHE 389 CO 0.00 0.84 -0.01 -0.56 -2.00 0.00 0.00 178.31 176.58 3ikm h GLN 390 N 0.07 0.00 0.00 6.09 3.07 -1.46 -3.34 115.11 119.53 3ikm h GLN 390 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.72 3ikm h GLN 390 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.92 3ikm h GLN 390 CO 0.11 0.01 0.00 -0.25 0.09 0.00 0.00 178.83 178.79 3ikm n ASP 391 N -3.14 0.00 -0.27 0.06 9.92 -1.23 -4.71 116.55 117.19 3ikm n ASP 391 Ca -0.01 0.00 0.21 0.00 -0.53 0.00 0.00 54.79 54.46 3ikm n ASP 391 Cb 0.20 0.00 0.35 0.00 -0.64 0.00 0.00 41.12 41.02 3ikm n ASP 391 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 3ikm n LEU 392 N 0.00 0.06 -0.08 0.64 0.00 -1.22 -0.71 117.00 115.69 3ikm n LEU 392 Ca 0.00 0.59 -0.14 0.00 0.00 0.00 0.00 56.01 56.46 3ikm n LEU 392 Cb 0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 43.42 43.08 3ikm n LEU 392 CO 0.00 -0.63 0.54 0.24 0.00 0.00 0.00 177.39 177.54 3ikm h MET 393 N 0.00 0.64 -0.72 1.96 0.00 -1.69 -2.12 114.93 113.00 3ikm h MET 393 Ca 0.43 -0.36 0.16 0.00 0.00 0.00 0.00 59.70 59.93 3ikm h MET 393 Cb 1.51 0.02 -0.04 0.00 0.00 0.00 0.00 31.60 33.09 3ikm h MET 393 CO -0.14 0.97 0.49 0.37 0.00 0.00 0.00 176.91 178.60 3ikm h GLN 394 N 0.35 0.27 0.30 1.72 4.15 -1.13 0.71 115.11 121.49 3ikm h GLN 394 Ca 0.03 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 3ikm h GLN 394 Cb 0.89 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.51 3ikm h GLN 394 CO 0.07 0.18 -0.21 1.88 -1.93 0.00 0.00 178.83 178.83 3ikm h TYR 395 N 0.28 -0.56 0.00 3.99 -1.99 -1.44 0.99 116.97 118.24 3ikm h TYR 395 Ca 0.35 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.08 3ikm h TYR 395 Cb 0.98 0.20 0.00 0.00 2.00 0.00 0.00 36.73 39.91 3ikm h TYR 395 CO -0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 178.16 177.86 3ikm h ALA 397 N -1.11 -0.13 0.13 0.00 0.00 -0.96 -0.07 119.26 117.12 3ikm h ALA 397 Ca 0.00 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3ikm h ALA 397 Cb 0.00 1.06 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3ikm h ALA 397 CO 0.00 -0.75 -0.06 0.37 0.00 0.00 0.00 179.25 178.81 3ikm h GLN 398 N -0.07 -0.17 -0.83 0.00 4.15 0.03 -2.87 115.11 115.36 3ikm h GLN 398 Ca 0.26 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.66 3ikm h GLN 398 Cb 0.55 0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.24 3ikm h GLN 398 CO -0.89 -0.07 0.41 0.22 -1.93 0.00 0.00 178.83 176.57 3ikm h ASP 399 N -0.23 1.08 -0.49 -0.69 3.58 -0.64 -2.40 116.42 116.62 3ikm h ASP 399 Ca -0.02 -0.13 0.14 0.00 0.42 0.00 0.00 57.03 57.45 3ikm h ASP 399 Cb 0.18 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 40.93 3ikm h ASP 399 CO 0.03 0.90 0.64 0.58 -2.88 0.00 0.00 179.24 178.51 3ikm h VAL 400 N 1.17 0.22 0.00 2.25 2.07 -0.79 0.27 116.25 121.44 3ikm h VAL 400 Ca 0.29 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.46 3ikm h VAL 400 Cb 0.10 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 30.28 3ikm h VAL 400 CO -0.04 0.00 -2.13 0.79 0.02 0.00 0.00 177.57 176.21 3ikm n TRP 401 N -3.44 0.40 -0.06 1.57 8.01 -0.92 -3.29 117.44 119.70 3ikm n TRP 401 Ca 0.10 0.14 -0.07 0.00 -1.31 0.00 0.00 57.50 56.36 3ikm n TRP 401 Cb 0.83 -1.07 -0.01 0.00 -2.01 0.00 0.00 31.31 29.04 3ikm n TRP 401 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3ikm h ALA 402 N 0.96 0.06 -0.91 6.99 0.00 -0.33 0.64 119.26 126.66 3ikm h ALA 402 Ca -0.45 0.10 0.15 0.00 0.00 0.00 0.00 54.91 54.71 3ikm h ALA 402 Cb 2.15 0.35 -0.09 0.00 0.00 0.00 0.00 17.79 20.19 3ikm h ALA 402 CO 0.05 -0.55 0.51 0.00 0.00 0.00 0.00 179.25 179.25 3ikm h THR 403 N -0.12 0.76 0.38 0.00 1.03 -1.24 0.82 112.91 114.55 3ikm h THR 403 Ca 0.14 -0.25 -0.01 0.00 -0.01 0.00 0.00 66.41 66.29 3ikm h THR 403 Cb 0.34 -0.03 -0.02 0.00 -1.07 0.00 0.00 68.15 67.37 3ikm h THR 403 CO -0.34 0.13 -0.34 0.45 -0.01 0.00 0.00 175.52 175.41 3ikm h HIS 404 N 0.72 -0.93 0.00 0.00 -0.00 0.18 0.31 115.15 115.43 3ikm h HIS 404 Ca 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.87 3ikm h HIS 404 Cb 0.67 0.36 0.00 0.00 -0.00 0.00 0.00 27.41 28.44 3ikm h HIS 404 CO -0.06 -0.49 0.00 0.39 -0.00 0.00 0.00 177.93 177.77 3ikm n GLU 405 N -5.46 0.00 -0.28 2.45 -0.58 0.12 0.41 120.64 117.31 3ikm n GLU 405 Ca -0.10 0.50 -0.07 0.00 -0.42 0.00 0.00 57.16 57.07 3ikm n GLU 405 Cb 0.36 -1.33 -0.07 0.00 -0.57 0.00 0.00 31.44 29.84 3ikm n GLU 405 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 3ikm n VAL 406 N -1.76 -0.45 0.05 2.62 0.24 0.22 0.46 118.33 119.70 3ikm n VAL 406 Ca 0.00 1.62 -0.02 0.00 -2.04 0.00 0.00 64.34 63.90 3ikm n VAL 406 Cb 0.00 -2.01 -0.01 0.00 -1.47 0.00 0.00 33.84 30.35 3ikm n VAL 406 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 3ikm h PHE 407 N 0.00 -0.12 0.00 6.34 3.57 -0.25 -2.76 116.94 123.71 3ikm h PHE 407 Ca 0.11 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3ikm h PHE 407 Cb 0.27 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.05 3ikm h PHE 407 CO -0.69 -0.08 0.00 0.94 -2.23 0.00 0.00 178.31 176.25 3ikm n GLN 408 N -2.40 0.00 -0.35 1.11 7.27 1.39 -0.59 117.38 123.80 3ikm n GLN 408 Ca -0.02 0.75 0.09 0.00 0.07 0.00 0.00 57.00 57.90 3ikm n GLN 408 Cb 0.05 -1.47 0.27 0.00 2.41 0.00 0.00 30.24 31.50 3ikm n GLN 408 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 3ikm h GLN 409 N 0.00 0.85 0.61 3.69 4.20 -0.20 -2.03 115.11 122.22 3ikm h GLN 409 Ca 0.00 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 3ikm h GLN 409 Cb 0.00 -0.19 0.01 0.00 0.30 0.00 0.00 27.48 27.59 3ikm h GLN 409 CO 0.00 0.56 -0.29 1.96 -0.67 0.00 0.00 178.83 180.39 3ikm h GLN 410 N 0.87 -0.79 0.00 1.46 1.08 -1.20 -3.34 115.11 113.20 3ikm h GLN 410 Ca 0.52 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.78 3ikm h GLN 410 Cb 0.65 0.18 0.00 0.00 -0.05 0.00 0.00 27.48 28.26 3ikm h GLN 410 CO -0.32 -0.52 0.00 1.47 -0.95 0.00 0.00 178.83 178.51 3ikm n LEU 411 N -5.25 0.00 -0.09 1.46 -0.00 0.24 -3.85 117.00 109.51 3ikm n LEU 411 Ca -0.10 0.17 -0.11 0.00 -0.00 0.00 0.00 56.01 55.97 3ikm n LEU 411 Cb 0.32 -0.17 -0.04 0.00 -0.00 0.00 0.00 43.42 43.53 3ikm n LEU 411 CO 0.24 -0.10 0.74 1.55 -0.00 0.00 0.00 177.39 179.82 3ikm h PRO 412 N 0.00 0.47 -0.09 1.47 0.13 -1.49 -0.25 132.00 132.23 3ikm h PRO 412 Ca 0.00 -0.16 -0.06 0.00 -0.87 0.00 0.00 66.00 64.91 3ikm h PRO 412 Cb 0.07 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.17 3ikm h PRO 412 CO 0.00 0.66 -0.17 -0.07 -0.23 0.00 0.00 178.00 178.19 3ikm h LEU 413 N 0.23 0.30 -1.88 1.56 3.38 -1.82 0.35 115.31 117.42 3ikm h LEU 413 Ca 0.07 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3ikm h LEU 413 Cb 0.47 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3ikm h LEU 413 CO 0.02 0.80 0.00 -0.26 0.09 0.00 0.00 178.44 179.09 3ikm h PHE 414 N -0.20 0.00 0.00 1.13 0.04 -1.70 -0.90 116.94 115.32 3ikm h PHE 414 Ca 0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 3ikm h PHE 414 Cb 0.75 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.90 3ikm h PHE 414 CO 0.11 0.00 -0.00 1.25 -0.60 0.00 0.00 178.31 179.07 3ikm h LEU 415 N 0.00 -0.01 -0.88 1.54 5.85 -0.39 -2.94 115.31 118.49 3ikm h LEU 415 Ca 0.00 -0.81 0.00 0.00 0.84 0.00 0.00 57.88 57.91 3ikm h LEU 415 Cb 0.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.29 3ikm h LEU 415 CO 0.00 0.89 0.00 -0.62 -0.34 0.00 0.00 178.44 178.37 3ikm n GLU 416 N -4.65 0.83 -0.16 1.25 1.02 0.12 -2.21 120.64 116.83 3ikm n GLU 416 Ca -0.08 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.07 3ikm n GLU 416 Cb 0.39 -1.36 0.08 0.00 -0.02 0.00 0.00 31.44 30.53 3ikm n GLU 416 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3ikm n ARG 417 N 0.02 1.72 -2.70 3.49 3.00 -0.37 -3.35 116.66 118.47 3ikm n ARG 417 Ca 0.00 -0.60 -0.06 0.00 -0.00 0.00 0.00 57.85 57.19 3ikm n ARG 417 Cb 0.18 -1.60 0.09 0.00 0.00 0.00 0.00 32.46 31.14 3ikm n ARG 417 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3ikm n PRO 419 N -0.59 0.00 -3.96 0.00 -0.02 -1.21 -4.23 135.00 124.98 3ikm n PRO 419 Ca -0.01 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.38 3ikm n PRO 419 Cb 0.84 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 34.22 3ikm n PRO 419 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3ikm s HIS 420 N 0.00 0.26 -0.24 6.00 3.76 -1.26 -4.93 115.29 118.89 3ikm s HIS 420 Ca 0.00 -0.60 -0.02 0.00 -0.15 0.00 0.00 55.06 54.30 3ikm s HIS 420 Cb 0.00 -0.19 -0.14 0.00 1.11 0.00 0.00 32.58 33.36 3ikm s HIS 420 CO 0.00 -0.34 -0.23 -0.35 -0.85 0.00 0.00 174.74 172.97 3ikm n PRO 421 N 0.80 0.57 -0.11 8.40 -0.04 -1.26 -4.17 135.00 139.18 3ikm n PRO 421 Ca -0.19 0.16 -0.11 0.00 -0.04 0.00 0.00 63.50 63.32 3ikm n PRO 421 Cb 0.58 -1.45 -0.03 0.00 -0.04 0.00 0.00 33.50 32.57 3ikm n PRO 421 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3ikm h VAL 422 N -0.21 1.27 0.43 0.52 2.07 -1.89 0.04 116.25 118.48 3ikm h VAL 422 Ca -0.55 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 65.89 3ikm h VAL 422 Cb 1.75 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 3ikm h VAL 422 CO -0.15 0.35 -0.21 0.74 0.02 0.00 0.00 177.57 178.32 3ikm h THR 423 N 0.42 0.00 0.02 2.57 2.02 -1.95 0.17 112.91 116.15 3ikm h THR 423 Ca 0.09 -0.31 0.01 0.00 0.77 0.00 0.00 66.41 66.97 3ikm h THR 423 Cb 0.52 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 3ikm h THR 423 CO 0.03 0.00 -0.10 -0.07 0.37 0.00 0.00 175.52 175.75 3ikm h LEU 424 N -0.89 -0.28 -1.60 2.58 3.38 -1.73 0.13 115.31 116.91 3ikm h LEU 424 Ca -0.06 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3ikm h LEU 424 Cb 0.44 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3ikm h LEU 424 CO 0.10 -0.14 -0.21 0.00 0.09 0.00 0.00 178.44 178.27 3ikm h ALA 425 N 0.78 1.34 0.09 1.53 0.00 -1.10 -3.00 119.26 118.90 3ikm h ALA 425 Ca 0.03 -0.19 -0.26 0.00 0.00 0.00 0.00 54.91 54.49 3ikm h ALA 425 Cb 0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3ikm h ALA 425 CO -0.09 0.26 -1.19 0.78 0.00 0.00 0.00 179.25 179.02 3ikm h GLY 426 N 1.03 0.22 1.04 0.00 0.00 0.17 -3.37 103.07 102.15 3ikm h GLY 426 Ca -0.00 -0.56 -0.05 0.00 0.00 0.00 0.00 47.33 46.71 3ikm h GLY 426 CO 0.03 0.49 0.25 0.00 0.00 0.00 0.00 176.54 177.31 3ikm h MET 427 N 0.05 1.10 -0.66 4.80 -0.00 -0.61 -2.67 114.93 116.93 3ikm h MET 427 Ca -0.10 -0.22 0.19 0.00 -0.00 0.00 0.00 59.70 59.57 3ikm h MET 427 Cb 1.92 -0.17 -0.03 0.00 -0.00 0.00 0.00 31.60 33.33 3ikm h MET 427 CO 0.18 0.93 0.62 -0.07 -0.00 0.00 0.00 176.91 178.56 3ikm h LEU 428 N 1.04 0.00 0.11 -0.10 4.07 -1.72 0.27 115.31 118.98 3ikm h LEU 428 Ca 0.23 0.00 -0.28 0.00 0.08 0.00 0.00 57.88 57.91 3ikm h LEU 428 Cb 0.27 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.00 3ikm h LEU 428 CO -0.01 0.00 -1.35 -0.33 -1.08 0.00 0.00 178.44 175.67 3ikm h GLU 429 N 0.00 0.23 0.00 1.13 3.07 -1.70 -2.73 114.58 114.58 3ikm h GLU 429 Ca 0.31 -0.39 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 3ikm h GLU 429 Cb 1.55 0.15 0.00 0.00 -0.84 0.00 0.00 28.75 29.60 3ikm h GLU 429 CO -0.00 1.13 0.00 -0.12 -1.40 0.00 0.00 179.01 178.62 3ikm n MET 430 N -3.47 0.24 -0.05 2.33 1.56 0.92 -0.81 117.12 117.84 3ikm n MET 430 Ca -0.11 0.11 -0.04 0.00 -0.27 0.00 0.00 57.70 57.39 3ikm n MET 430 Cb 1.03 -1.50 -0.10 0.00 2.15 0.00 0.00 33.22 34.80 3ikm n MET 430 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3ikm n GLY 431 N -0.31 -0.61 0.28 -5.12 0.00 -1.10 -4.52 105.19 93.82 3ikm n GLY 431 Ca 0.07 -0.22 0.05 0.00 0.00 0.00 0.00 46.02 45.91 3ikm n GLY 431 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ikm h VAL 432 N 0.00 1.09 0.00 1.61 2.07 -0.65 -3.43 116.25 116.94 3ikm h VAL 432 Ca -0.28 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.98 3ikm h VAL 432 Cb 1.57 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 3ikm h VAL 432 CO 0.02 0.10 0.00 -0.24 0.02 0.00 0.00 177.57 177.47 3ikm n SER 433 N -4.45 0.00 -1.93 0.57 2.88 -1.10 -4.88 113.62 104.71 3ikm n SER 433 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 3ikm n SER 433 Cb 0.11 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 3ikm n SER 433 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ikm n TYR 434 N 0.00 -0.02 0.00 0.66 9.36 -0.85 -4.76 117.16 121.55 3ikm n TYR 434 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 3ikm n TYR 434 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 3ikm n TYR 434 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3ikm n LEU 435 N 0.00 0.00 -4.55 2.98 4.77 -1.26 -4.25 117.00 114.70 3ikm n LEU 435 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.62 3ikm n LEU 435 Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 3ikm n LEU 435 CO 0.00 0.00 -0.24 -2.16 -1.33 0.00 0.00 177.39 173.66 3ikm s PRO 436 N 0.00 3.84 0.34 3.23 0.04 -1.26 -3.65 135.00 137.53 3ikm s PRO 436 Ca 0.00 -0.39 0.01 0.00 0.04 0.00 0.00 61.00 60.66 3ikm s PRO 436 Cb 0.00 -3.36 -0.03 0.00 0.04 0.00 0.00 34.50 31.14 3ikm s PRO 436 CO 0.00 -0.02 0.53 0.08 0.04 0.00 0.00 177.00 177.63 3ikm s VAL 437 N 1.21 5.12 0.18 -0.36 1.01 -0.80 -0.71 120.40 126.04 3ikm s VAL 437 Ca 0.05 -0.52 -0.12 0.00 0.00 0.00 0.00 61.98 61.39 3ikm s VAL 437 Cb -0.14 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.38 3ikm s VAL 437 CO 0.04 -0.53 0.37 0.20 0.00 0.00 0.00 175.10 175.18 3ikm s ASN 438 N -4.03 -0.06 0.20 3.32 -0.87 -1.25 -4.09 114.94 108.15 3ikm s ASN 438 Ca 0.39 -0.74 -0.11 0.00 -1.57 0.00 0.00 52.86 50.84 3ikm s ASN 438 Cb -0.10 0.49 0.25 0.00 -0.02 0.00 0.00 41.25 41.87 3ikm s ASN 438 CO 0.35 -0.95 1.73 1.56 -2.57 0.00 0.00 177.10 177.22 3ikm h GLN 439 N 2.42 0.31 -1.16 -0.60 7.50 -1.83 0.69 115.11 122.44 3ikm h GLN 439 Ca -0.31 -0.02 0.33 0.00 0.50 0.00 0.00 58.65 59.15 3ikm h GLN 439 Cb 1.24 -0.07 -0.08 0.00 0.05 0.00 0.00 27.48 28.62 3ikm h GLN 439 CO 0.44 0.21 0.78 -0.91 -1.50 0.00 0.00 178.83 177.85 3ikm h ASN 440 N 0.32 0.24 0.11 1.46 2.35 -1.91 0.46 115.58 118.61 3ikm h ASN 440 Ca 0.29 0.06 -0.18 0.00 -0.55 0.00 0.00 56.30 55.92 3ikm h ASN 440 Cb 0.38 0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.77 3ikm h ASN 440 CO -0.33 0.02 -0.65 -0.50 -1.65 0.00 0.00 177.43 174.32 3ikm h TRP 441 N 0.19 0.66 -0.31 1.19 -0.00 0.13 -3.31 115.95 114.51 3ikm h TRP 441 Ca 0.62 -0.26 -0.17 0.00 -0.00 0.00 0.00 58.89 59.08 3ikm h TRP 441 Cb 2.00 -0.11 -0.00 0.00 -0.00 0.00 0.00 29.16 31.04 3ikm h TRP 441 CO -0.00 1.01 -0.47 1.49 -0.00 0.00 0.00 178.44 180.47 3ikm h GLU 442 N 0.37 0.83 -0.37 0.49 4.57 0.88 -3.03 114.58 118.33 3ikm h GLU 442 Ca -0.01 -0.48 -0.03 0.00 -1.18 0.00 0.00 59.36 57.65 3ikm h GLU 442 Cb 1.21 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.82 3ikm h GLU 442 CO 0.12 1.12 0.10 -0.09 -1.18 0.00 0.00 179.01 179.07 3ikm h ARG 443 N 0.66 0.59 -0.98 1.92 9.65 -1.65 -2.79 114.38 121.77 3ikm h ARG 443 Ca 0.04 -0.14 0.05 0.00 -1.10 0.00 0.00 59.98 58.82 3ikm h ARG 443 Cb 1.06 -0.08 -0.06 0.00 -1.39 0.00 0.00 29.97 29.50 3ikm h ARG 443 CO 0.11 0.62 0.64 1.88 2.80 0.00 0.00 179.97 186.01 3ikm h TYR 444 N 0.45 1.19 -0.55 2.20 0.05 -1.65 2.28 116.97 120.95 3ikm h TYR 444 Ca 0.12 0.03 0.16 0.00 0.05 0.00 0.00 58.73 59.09 3ikm h TYR 444 Cb 0.29 -0.40 -0.02 0.00 1.01 0.00 0.00 36.73 37.61 3ikm h TYR 444 CO 0.01 0.67 0.40 1.25 -1.05 0.00 0.00 178.16 179.44 3ikm h LEU 445 N 1.21 0.00 0.04 3.88 6.46 -1.37 -2.60 115.31 122.93 3ikm h LEU 445 Ca 0.40 0.00 -0.35 0.00 -0.12 0.00 0.00 57.88 57.81 3ikm h LEU 445 Cb 0.06 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 39.94 3ikm h LEU 445 CO -0.13 0.00 -1.97 0.00 -0.62 0.00 0.00 178.44 175.71 3ikm n ALA 446 N -2.63 1.02 -0.06 1.25 0.00 0.34 -4.44 120.51 115.98 3ikm n ALA 446 Ca 0.10 -0.75 0.19 0.00 0.00 0.00 0.00 53.44 52.98 3ikm n ALA 446 Cb 0.63 -0.38 0.64 0.00 0.00 0.00 0.00 19.45 20.34 3ikm n ALA 446 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3ikm h GLU 447 N -0.47 0.12 0.00 0.00 4.11 0.36 -0.44 114.58 118.26 3ikm h GLU 447 Ca -0.49 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 58.91 3ikm h GLU 447 Cb 1.71 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.93 3ikm h GLU 447 CO -0.14 0.08 -0.11 0.00 0.07 0.00 0.00 179.01 178.92 3ikm h ALA 448 N 1.69 1.17 0.21 1.06 0.00 -1.70 -2.93 119.26 118.77 3ikm h ALA 448 Ca 0.30 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3ikm h ALA 448 Cb 1.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3ikm h ALA 448 CO -0.04 0.13 -0.10 1.96 0.00 0.00 0.00 179.25 181.20 3ikm h GLN 449 N 0.00 -0.27 -1.02 0.00 4.20 -1.30 -3.27 115.11 113.46 3ikm h GLN 449 Ca -0.00 0.02 0.33 0.00 0.06 0.00 0.00 58.65 59.06 3ikm h GLN 449 Cb 0.39 0.06 -0.15 0.00 0.30 0.00 0.00 27.48 28.08 3ikm h GLN 449 CO 0.01 0.09 0.58 0.78 -0.67 0.00 0.00 178.83 179.63 3ikm h GLY 450 N -0.92 2.04 0.27 3.46 0.00 -1.54 -2.94 103.07 103.44 3ikm h GLY 450 Ca -0.03 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 3ikm h GLY 450 CO 0.05 -0.51 -0.01 -0.84 0.00 0.00 0.00 176.54 175.23 3ikm h THR 451 N 0.29 1.43 -0.76 4.70 2.02 -1.64 -2.37 112.91 116.58 3ikm h THR 451 Ca 0.75 -1.62 0.16 0.00 0.77 0.00 0.00 66.41 66.46 3ikm h THR 451 Cb 1.76 2.48 -0.05 0.00 -1.74 0.00 0.00 68.15 70.60 3ikm h THR 451 CO -0.60 0.40 0.51 0.10 0.37 0.00 0.00 175.52 176.30 3ikm h TYR 452 N -0.77 0.42 0.67 3.16 -0.00 -1.56 0.95 116.97 119.83 3ikm h TYR 452 Ca -0.00 0.01 -0.03 0.00 0.00 0.00 0.00 58.73 58.71 3ikm h TYR 452 Cb 0.69 -0.13 0.01 0.00 0.00 0.00 0.00 36.73 37.29 3ikm h TYR 452 CO 0.17 0.15 -0.32 0.93 -0.00 0.00 0.00 178.16 179.09 3ikm h GLU 453 N 0.36 -0.86 -0.71 0.10 5.08 -1.56 1.65 114.58 118.64 3ikm h GLU 453 Ca 0.37 0.06 0.16 0.00 -1.00 0.00 0.00 59.36 58.95 3ikm h GLU 453 Cb 0.94 0.20 -0.13 0.00 0.50 0.00 0.00 28.75 30.25 3ikm h GLU 453 CO -0.11 -0.57 -0.11 0.39 -1.00 0.00 0.00 179.01 177.60 3ikm n GLU 454 N -4.49 -0.06 -0.18 2.33 1.02 0.29 0.37 120.64 119.92 3ikm n GLU 454 Ca -0.11 1.09 -0.10 0.00 -0.02 0.00 0.00 57.16 58.02 3ikm n GLU 454 Cb 0.35 -1.67 0.01 0.00 -0.02 0.00 0.00 31.44 30.12 3ikm n GLU 454 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3ikm h LEU 455 N 0.00 0.95 -0.15 -4.62 3.38 0.33 0.18 115.31 115.39 3ikm h LEU 455 Ca 0.37 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3ikm h LEU 455 Cb 0.64 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3ikm h LEU 455 CO -0.71 1.05 0.00 0.00 0.09 0.00 0.00 178.44 178.87 3ikm n GLN 456 N -4.24 0.07 -0.00 1.13 6.02 1.19 -2.11 117.38 119.44 3ikm n GLN 456 Ca 0.01 0.23 0.08 0.00 -0.01 0.00 0.00 57.00 57.31 3ikm n GLN 456 Cb 0.36 -1.61 -0.11 0.00 1.02 0.00 0.00 30.24 29.90 3ikm n GLN 456 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3ikm n ARG 457 N -1.73 1.16 -0.08 -1.09 1.74 0.61 -4.34 116.66 112.93 3ikm n ARG 457 Ca 0.04 -0.08 -0.21 0.00 -0.77 0.00 0.00 57.85 56.84 3ikm n ARG 457 Cb 0.24 -1.31 -0.12 0.00 -1.02 0.00 0.00 32.46 30.25 3ikm n ARG 457 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3ikm n GLU 458 N -1.73 0.68 -0.29 5.56 1.02 0.52 -4.21 120.64 122.19 3ikm n GLU 458 Ca -0.00 0.24 -0.09 0.00 -0.02 0.00 0.00 57.16 57.28 3ikm n GLU 458 Cb 0.33 -1.61 -0.06 0.00 -0.02 0.00 0.00 31.44 30.09 3ikm n GLU 458 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 3ikm h MET 459 N -0.15 -0.14 -0.07 3.49 4.05 -1.65 -1.30 114.93 119.17 3ikm h MET 459 Ca -0.52 0.01 0.03 0.00 -0.28 0.00 0.00 59.70 58.94 3ikm h MET 459 Cb 1.88 0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 32.68 3ikm h MET 459 CO -0.07 -0.09 -0.12 1.57 0.23 0.00 0.00 176.91 178.43 3ikm h LYS 460 N -0.15 -0.17 -0.50 0.39 -0.00 -1.78 0.37 116.57 114.73 3ikm h LYS 460 Ca 0.18 0.01 0.10 0.00 -0.00 0.00 0.00 60.65 60.94 3ikm h LYS 460 Cb 0.52 0.04 -0.10 0.00 -0.00 0.00 0.00 32.23 32.69 3ikm h LYS 460 CO -0.81 -0.11 -0.23 1.57 -0.00 0.00 0.00 179.45 179.87 3ikm h LYS 461 N -0.17 -0.12 -0.74 0.07 -0.00 -1.44 2.63 116.57 116.80 3ikm h LYS 461 Ca 0.07 0.01 0.14 0.00 -0.00 0.00 0.00 60.65 60.87 3ikm h LYS 461 Cb 0.27 0.03 -0.10 0.00 -0.00 0.00 0.00 32.23 32.43 3ikm h LYS 461 CO -0.17 -0.08 0.28 0.66 -0.00 0.00 0.00 179.45 180.14 3ikm h SER 462 N -0.12 0.23 0.12 7.07 4.64 -0.47 0.18 113.55 125.20 3ikm h SER 462 Ca 0.23 0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.66 3ikm h SER 462 Cb 0.48 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3ikm h SER 462 CO -0.57 0.08 -0.06 0.25 -0.87 0.00 0.00 176.83 175.66 3ikm h LEU 463 N 0.41 -0.14 -0.87 5.97 6.46 0.55 -1.87 115.31 125.83 3ikm h LEU 463 Ca 0.41 -0.29 0.21 0.00 -0.12 0.00 0.00 57.88 58.09 3ikm h LEU 463 Cb 0.62 0.03 -0.12 0.00 -0.73 0.00 0.00 40.66 40.46 3ikm h LEU 463 CO -0.41 0.23 0.35 0.24 -0.62 0.00 0.00 178.44 178.22 3ikm h MET 464 N -0.51 0.37 -0.30 1.25 2.86 0.56 -1.43 114.93 117.71 3ikm h MET 464 Ca -0.02 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.54 3ikm h MET 464 Cb 0.41 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 3ikm h MET 464 CO 0.03 0.24 -0.07 -0.44 1.06 0.00 0.00 176.91 177.73 3ikm h ASP 465 N 0.38 0.59 -0.07 1.22 3.32 -0.54 1.06 116.42 122.38 3ikm h ASP 465 Ca 0.53 -0.36 0.02 0.00 0.02 0.00 0.00 57.03 57.24 3ikm h ASP 465 Cb 0.99 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.38 3ikm h ASP 465 CO -0.53 0.81 0.05 -0.07 -1.72 0.00 0.00 179.24 177.79 3ikm h LEU 466 N 0.35 0.00 0.00 1.55 -0.00 -0.50 0.19 115.31 116.91 3ikm h LEU 466 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.96 3ikm h LEU 466 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.22 3ikm h LEU 466 CO 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.47 3ikm n ALA 467 N -2.53 -0.15 -0.17 1.53 0.00 -0.62 -2.02 120.51 116.55 3ikm n ALA 467 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.40 3ikm n ALA 467 Cb 0.16 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.68 3ikm n ALA 467 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3ikm h ASN 468 N 0.00 0.16 0.00 0.00 4.21 0.12 -2.74 115.58 117.32 3ikm h ASN 468 Ca 0.00 0.07 0.00 0.00 1.21 0.00 0.00 56.30 57.58 3ikm h ASN 468 Cb 0.00 0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.26 3ikm h ASN 468 CO 0.00 0.11 0.00 0.47 -1.29 0.00 0.00 177.43 176.72 3ikm n ASP 469 N -5.02 0.00 0.00 5.81 9.92 0.67 -2.89 116.55 125.04 3ikm n ASP 469 Ca 0.06 0.50 0.00 0.00 -0.53 0.00 0.00 54.79 54.82 3ikm n ASP 469 Cb 0.22 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.70 3ikm n ASP 469 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3ikm n ALA 470 N -0.82 -0.01 -0.38 2.24 0.00 -0.86 -1.74 120.51 118.95 3ikm n ALA 470 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 3ikm n ALA 470 Cb 0.00 0.25 -0.02 0.00 0.00 0.00 0.00 19.45 19.68 3ikm n ALA 470 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ikm h GLN 472 N 0.00 -0.58 -0.63 0.00 1.08 -1.48 -3.29 115.11 110.21 3ikm h GLN 472 Ca 0.25 0.04 0.22 0.00 -1.45 0.00 0.00 58.65 57.71 3ikm h GLN 472 Cb 0.49 0.13 -0.12 0.00 -0.05 0.00 0.00 27.48 27.94 3ikm h GLN 472 CO -0.92 -0.39 0.19 1.28 -0.95 0.00 0.00 178.83 178.04 3ikm n LEU 473 N -4.15 0.08 -4.77 1.46 4.77 -0.71 -4.16 117.00 109.52 3ikm n LEU 473 Ca -0.07 1.06 -0.37 0.00 -0.03 0.00 0.00 56.01 56.60 3ikm n LEU 473 Cb 0.24 -0.46 -0.01 0.00 -2.33 0.00 0.00 43.42 40.86 3ikm n LEU 473 CO 0.18 -1.14 0.81 -0.76 -1.33 0.00 0.00 177.39 175.15 3ikm s LEU 474 N -9.24 3.98 -0.03 2.23 1.02 -1.24 -5.02 118.68 110.38 3ikm s LEU 474 Ca -0.07 2.25 0.02 0.00 0.02 0.00 0.00 54.13 56.36 3ikm s LEU 474 Cb 0.20 -4.29 0.01 0.00 0.02 0.00 0.00 46.19 42.13 3ikm s LEU 474 CO 0.49 -0.91 -0.09 -0.94 0.02 0.00 0.00 176.35 174.92 3ikm s SER 475 N -1.45 1.29 -0.10 2.29 1.04 -1.26 -4.70 113.70 110.81 3ikm s SER 475 Ca 0.64 -0.20 -0.32 0.00 0.48 0.00 0.00 55.95 56.55 3ikm s SER 475 Cb -0.27 -0.42 0.12 0.00 0.10 0.00 0.00 66.02 65.55 3ikm s SER 475 CO 0.32 0.05 1.14 -0.83 0.98 0.00 0.00 173.24 174.90 3ikm s GLY 476 N 0.35 -0.34 0.00 7.32 0.00 -1.20 -4.03 107.32 109.41 3ikm s GLY 476 Ca -0.06 1.23 0.00 0.00 0.00 0.00 0.00 44.72 45.89 3ikm s GLY 476 CO 0.01 0.39 0.00 -2.21 0.00 0.00 0.00 173.10 171.29 3ikm n GLU 477 N -0.22 0.00 -5.06 2.90 2.13 -1.26 -4.81 120.64 114.33 3ikm n GLU 477 Ca -0.03 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.50 3ikm n GLU 477 Cb 0.60 0.00 -0.16 0.00 0.27 0.00 0.00 31.44 32.15 3ikm n GLU 477 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 3ikm s ARG 478 N 0.00 1.95 0.70 5.31 3.52 -1.26 -5.14 118.95 124.03 3ikm s ARG 478 Ca 0.00 -0.77 -0.15 0.00 -0.13 0.00 0.00 55.73 54.68 3ikm s ARG 478 Cb 0.00 -1.77 0.02 0.00 -1.56 0.00 0.00 34.95 31.64 3ikm s ARG 478 CO 0.00 0.39 1.19 1.52 -0.81 0.00 0.00 175.30 177.59 3ikm s TYR 479 N -0.30 2.20 0.00 5.12 -0.85 -1.26 -3.09 117.35 119.17 3ikm s TYR 479 Ca 0.03 1.58 0.00 0.00 -0.52 0.00 0.00 57.07 58.16 3ikm s TYR 479 Cb -0.10 -3.41 0.00 0.00 0.38 0.00 0.00 41.96 38.83 3ikm s TYR 479 CO 0.01 -2.38 0.00 1.63 -1.52 0.00 0.00 175.55 173.29 3ikm n LYS 480 N -2.55 0.00 -4.68 -3.49 5.02 -1.26 -4.90 118.16 106.30 3ikm n LYS 480 Ca 0.13 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.12 3ikm n LYS 480 Cb 0.51 -1.55 -0.10 0.00 -0.02 0.00 0.00 35.03 33.87 3ikm n LYS 480 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3ikm s GLU 481 N 0.00 2.05 0.72 1.97 2.02 -1.18 -4.37 118.70 119.91 3ikm s GLU 481 Ca 0.00 -2.22 0.00 0.00 0.02 0.00 0.00 54.97 52.77 3ikm s GLU 481 Cb 0.00 -1.60 0.00 0.00 0.10 0.00 0.00 34.13 32.63 3ikm s GLU 481 CO 0.00 -0.17 0.00 -0.40 0.02 0.00 0.00 175.26 174.71 3ikm n ASP 482 N -1.08 0.00 0.12 -0.19 5.75 -1.26 -4.31 116.55 115.58 3ikm n ASP 482 Ca -0.11 0.00 0.16 0.00 -0.01 0.00 0.00 54.79 54.84 3ikm n ASP 482 Cb 0.67 0.00 0.71 0.00 -1.03 0.00 0.00 41.12 41.47 3ikm n ASP 482 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 3ikm h PRO 483 N 0.00 0.00 -0.99 0.11 0.13 -1.95 -1.04 132.00 128.27 3ikm h PRO 483 Ca 0.00 0.00 0.29 0.00 -0.87 0.00 0.00 66.00 65.42 3ikm h PRO 483 Cb 0.00 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 30.99 3ikm h PRO 483 CO 0.00 0.00 0.54 2.35 -0.23 0.00 0.00 178.00 180.66 3ikm h TRP 484 N 0.00 0.90 -1.07 1.56 2.91 -1.92 4.88 115.95 123.20 3ikm h TRP 484 Ca 0.14 0.04 0.29 0.00 1.13 0.00 0.00 58.89 60.49 3ikm h TRP 484 Cb 0.61 -0.24 -0.08 0.00 -0.51 0.00 0.00 29.16 28.95 3ikm h TRP 484 CO 0.00 -0.11 0.72 1.37 -1.03 0.00 0.00 178.44 179.39 3ikm h LEU 485 N 0.39 0.28 0.83 0.65 8.10 -1.38 0.42 115.31 124.60 3ikm h LEU 485 Ca 0.69 0.05 -0.04 0.00 0.11 0.00 0.00 57.88 58.69 3ikm h LEU 485 Cb 1.49 0.01 0.01 0.00 -0.44 0.00 0.00 40.66 41.73 3ikm h LEU 485 CO -0.57 0.05 -0.40 -0.50 -4.11 0.00 0.00 178.44 172.91 3ikm h TRP 486 N 0.24 -1.04 -0.68 0.17 -0.00 0.96 0.16 115.95 115.76 3ikm h TRP 486 Ca 0.57 -0.02 0.14 0.00 -0.00 0.00 0.00 58.89 59.58 3ikm h TRP 486 Cb 1.74 0.34 -0.13 0.00 -0.00 0.00 0.00 29.16 31.12 3ikm h TRP 486 CO -0.00 -0.65 -0.13 0.22 -0.00 0.00 0.00 178.44 177.88 3ikm h ASP 487 N -1.16 -0.56 0.21 -3.49 1.82 0.01 -2.51 116.42 110.75 3ikm h ASP 487 Ca -0.11 0.20 -0.01 0.00 -0.39 0.00 0.00 57.03 56.71 3ikm h ASP 487 Cb 0.86 0.40 0.00 0.00 0.68 0.00 0.00 39.33 41.27 3ikm h ASP 487 CO 0.19 -0.21 -0.10 -0.07 -1.61 0.00 0.00 179.24 177.44 3ikm h LEU 488 N 0.02 -0.24 -0.93 2.28 3.38 -0.45 -1.26 115.31 118.11 3ikm h LEU 488 Ca 0.34 -0.08 0.19 0.00 0.09 0.00 0.00 57.88 58.41 3ikm h LEU 488 Cb 0.53 0.06 -0.11 0.00 0.09 0.00 0.00 40.66 41.24 3ikm h LEU 488 CO -0.68 -0.07 0.51 -0.33 0.09 0.00 0.00 178.44 177.97 3ikm h GLU 489 N -0.40 0.60 -0.01 1.13 5.08 -0.54 -1.91 114.58 118.53 3ikm h GLU 489 Ca -0.03 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3ikm h GLU 489 Cb 0.31 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 3ikm h GLU 489 CO 0.05 0.40 -0.01 -1.49 -1.00 0.00 0.00 179.01 176.96 3ikm h TRP 490 N 0.62 0.02 0.00 4.33 4.06 -1.37 -3.35 115.95 120.27 3ikm h TRP 490 Ca 0.55 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.49 3ikm h TRP 490 Cb 0.89 -0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.05 3ikm h TRP 490 CO -0.06 0.48 0.00 -0.25 -3.56 0.00 0.00 178.44 175.05 3ikm n ASP 491 N -4.85 0.53 0.00 -3.49 9.92 -0.49 -3.89 116.55 114.29 3ikm n ASP 491 Ca -0.08 0.60 0.00 0.00 -0.53 0.00 0.00 54.79 54.78 3ikm n ASP 491 Cb 0.25 -0.73 0.00 0.00 -0.64 0.00 0.00 41.12 40.00 3ikm n ASP 491 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3ikm n LEU 492 N -2.06 0.00 -3.61 0.64 4.77 -0.99 -4.71 117.00 111.04 3ikm n LEU 492 Ca 0.03 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.97 3ikm n LEU 492 Cb 0.27 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.33 3ikm n LEU 492 CO 0.22 0.00 1.02 -1.58 -1.33 0.00 0.00 177.39 175.71 3ikm s GLN 493 N 0.00 0.28 -1.57 3.23 0.74 -1.26 -4.91 119.66 116.17 3ikm s GLN 493 Ca 0.00 -0.05 0.00 0.00 0.05 0.00 0.00 55.36 55.36 3ikm s GLN 493 Cb 0.00 0.13 0.00 0.00 1.10 0.00 0.00 33.01 34.24 3ikm s GLN 493 CO 0.00 -0.11 0.00 -0.85 -0.55 0.00 0.00 175.29 173.78 3ikm n GLU 494 N 0.17 -1.37 -2.19 1.67 0.28 -1.26 -4.84 120.64 113.10 3ikm n GLU 494 Ca -0.01 0.90 -0.26 0.00 -0.16 0.00 0.00 57.16 57.63 3ikm n GLU 494 Cb 0.58 -5.33 0.08 0.00 1.43 0.00 0.00 31.44 28.19 3ikm n GLU 494 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 3ikm s PHE 495 N -2.84 2.82 0.00 -1.84 0.40 -1.26 -4.61 117.98 110.66 3ikm s PHE 495 Ca 0.00 0.43 0.00 0.00 -0.60 0.00 0.00 56.93 56.76 3ikm s PHE 495 Cb 0.00 -3.24 0.00 0.00 0.51 0.00 0.00 43.02 40.29 3ikm s PHE 495 CO 0.00 -1.49 0.13 1.63 0.70 0.00 0.00 175.22 176.19 3ikm n LYS 496 N -2.97 0.00 0.18 0.44 4.01 -1.26 -4.43 118.16 114.13 3ikm n LYS 496 Ca 0.08 -0.13 0.10 0.00 -0.51 0.00 0.00 58.31 57.86 3ikm n LYS 496 Cb 0.60 -0.21 0.56 0.00 -0.51 0.00 0.00 35.03 35.48 3ikm n LYS 496 CO 0.00 0.00 0.00 0.37 -1.11 0.00 0.00 177.40 176.66 3ikm h GLN 497 N 0.00 0.00 0.00 1.97 5.75 -1.96 -3.31 115.11 117.57 3ikm h GLN 497 Ca 0.00 0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.52 3ikm h GLN 497 Cb 0.81 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.35 3ikm h GLN 497 CO 0.00 0.00 -0.03 1.17 -2.65 0.00 0.00 178.83 177.32 3ikm n LYS 498 N -2.27 -0.16 -2.46 1.69 4.81 -1.26 -3.44 118.16 115.08 3ikm n LYS 498 Ca -0.01 0.11 -0.02 0.00 -0.87 0.00 0.00 58.31 57.52 3ikm n LYS 498 Cb 0.15 -0.20 0.08 0.00 0.02 0.00 0.00 35.03 35.09 3ikm n LYS 498 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 3ikm n LYS 499 N -0.75 1.23 -0.03 1.64 -0.00 -1.26 -5.05 118.16 113.95 3ikm n LYS 499 Ca 0.00 -1.83 -0.01 0.00 -0.00 0.00 0.00 58.31 56.47 3ikm n LYS 499 Cb 0.04 -0.12 -0.00 0.00 -0.00 0.00 0.00 35.03 34.95 3ikm n LYS 499 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3ikm n ALA 500 N -1.01 -0.01 0.02 0.58 0.00 -1.26 -4.89 120.51 113.92 3ikm n ALA 500 Ca -0.11 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3ikm n ALA 500 Cb 0.85 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 20.27 3ikm n ALA 500 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3ikm n LYS 501 N 0.08 0.00 -2.05 0.00 0.00 -1.26 -4.57 118.16 110.36 3ikm n LYS 501 Ca 0.01 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.91 3ikm n LYS 501 Cb -0.00 -0.38 -0.02 0.00 -0.00 0.00 0.00 35.03 34.63 3ikm n LYS 501 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 3ikm s LYS 502 N -2.00 4.30 0.32 -1.58 2.47 -1.26 -5.00 119.74 116.99 3ikm s LYS 502 Ca 0.00 2.28 0.06 0.00 -1.56 0.00 0.00 55.97 56.75 3ikm s LYS 502 Cb 0.00 -3.06 -0.01 0.00 -1.46 0.00 0.00 37.83 33.29 3ikm s LYS 502 CO 0.00 -0.28 0.46 0.14 0.16 0.00 0.00 175.35 175.83 3ikm s VAL 503 N -0.93 4.31 0.00 4.02 -7.23 -1.26 -4.38 120.40 114.94 3ikm s VAL 503 Ca 0.51 -0.96 0.00 0.00 -1.81 0.00 0.00 61.98 59.72 3ikm s VAL 503 Cb -0.41 -3.51 0.00 0.00 0.56 0.00 0.00 36.38 33.02 3ikm s VAL 503 CO 0.53 -0.20 0.00 1.17 -0.31 0.00 0.00 175.10 176.28 3ikm n LYS 504 N -1.62 0.00 -3.68 4.82 4.81 -1.26 -3.82 118.16 117.42 3ikm n LYS 504 Ca -0.02 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.26 3ikm n LYS 504 Cb 0.58 -0.26 -0.16 0.00 0.02 0.00 0.00 35.03 35.21 3ikm n LYS 504 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3ikm s LYS 505 N 0.00 0.03 -0.28 1.64 2.20 -1.26 -4.91 119.74 117.17 3ikm s LYS 505 Ca 0.00 0.53 -0.27 0.00 -0.36 0.00 0.00 55.97 55.87 3ikm s LYS 505 Cb 0.00 -0.28 0.17 0.00 -1.51 0.00 0.00 37.83 36.22 3ikm s LYS 505 CO 0.00 -0.29 1.30 -1.83 -0.36 0.00 0.00 175.35 174.17 3ikm s GLU 506 N 2.15 0.20 0.80 4.03 -1.05 -1.25 -4.90 118.70 118.68 3ikm s GLU 506 Ca 0.02 0.15 -0.16 0.00 -0.15 0.00 0.00 54.97 54.83 3ikm s GLU 506 Cb -0.12 0.10 -0.05 0.00 -0.44 0.00 0.00 34.13 33.62 3ikm s GLU 506 CO -0.06 -0.04 0.23 -2.30 0.95 0.00 0.00 175.26 174.05 3ikm n PRO 507 N 1.30 0.08 -1.92 -4.83 -0.02 -1.26 -4.72 135.00 123.62 3ikm n PRO 507 Ca -0.08 0.06 -0.42 0.00 -2.02 0.00 0.00 63.50 61.04 3ikm n PRO 507 Cb 0.57 -1.63 -0.03 0.00 -0.02 0.00 0.00 33.50 32.39 3ikm n PRO 507 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ikm s ALA 508 N -2.06 3.40 0.86 3.55 0.00 -1.26 -4.94 121.76 121.32 3ikm s ALA 508 Ca 0.59 0.86 -0.12 0.00 0.00 0.00 0.00 51.96 53.28 3ikm s ALA 508 Cb -0.30 -3.84 0.09 0.00 0.00 0.00 0.00 23.12 19.07 3ikm s ALA 508 CO 0.65 -1.77 1.00 0.25 0.00 0.00 0.00 175.76 175.89 3ikm n THR 509 N 6.06 0.99 0.00 0.00 -2.24 -1.26 -4.96 114.28 112.85 3ikm n THR 509 Ca 0.20 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 3ikm n THR 509 Cb 0.43 -1.00 0.00 0.00 -2.10 0.00 0.00 70.33 67.66 3ikm n THR 509 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ikm n ALA 510 N -3.61 0.00 -0.51 6.98 0.00 -1.26 -4.33 120.51 117.77 3ikm n ALA 510 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.20 3ikm n ALA 510 Cb 0.51 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.87 3ikm n ALA 510 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3ikm n SER 511 N 0.00 0.67 -3.83 0.00 3.41 -1.26 -4.74 113.62 107.87 3ikm n SER 511 Ca 0.00 -2.20 -0.20 0.00 -0.26 0.00 0.00 58.87 56.21 3ikm n SER 511 Cb 0.00 -0.44 -0.17 0.00 -0.26 0.00 0.00 64.21 63.35 3ikm n SER 511 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3ikm s LYS 512 N 6.29 0.58 -0.32 4.33 2.36 -1.26 -4.64 119.74 127.08 3ikm s LYS 512 Ca 0.54 0.02 0.01 0.00 -2.55 0.00 0.00 55.97 54.00 3ikm s LYS 512 Cb 0.12 -0.75 0.15 0.00 -1.05 0.00 0.00 37.83 36.29 3ikm s LYS 512 CO 0.27 -0.16 0.35 -0.51 1.55 0.00 0.00 175.35 176.85 3ikm s LEU 513 N 1.26 -0.31 0.00 5.43 1.43 -1.26 -4.60 118.68 120.63 3ikm s LEU 513 Ca -0.06 -0.93 -0.21 0.00 -1.03 0.00 0.00 54.13 51.90 3ikm s LEU 513 Cb -0.13 0.66 0.32 0.00 0.03 0.00 0.00 46.19 47.06 3ikm s LEU 513 CO -0.02 -0.34 0.89 -0.81 0.23 0.00 0.00 176.35 176.30 3ikm n PRO 514 N 4.99 -3.91 0.00 1.29 -0.04 -1.26 0.29 135.00 136.36 3ikm n PRO 514 Ca 0.03 -1.46 0.00 0.00 -0.04 0.00 0.00 63.50 62.03 3ikm n PRO 514 Cb 0.47 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 3ikm n PRO 514 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3ikm n ILE 515 N -5.19 0.00 -0.07 0.52 5.41 -1.26 -3.88 119.36 114.89 3ikm n ILE 515 Ca 0.13 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.85 3ikm n ILE 515 Cb 0.55 -0.35 -0.15 0.00 -0.71 0.00 0.00 39.64 38.98 3ikm n ILE 515 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3ikm n GLU 516 N -2.07 0.85 0.00 0.38 1.02 -1.26 -4.80 120.64 114.77 3ikm n GLU 516 Ca 0.00 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 3ikm n GLU 516 Cb 0.20 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 3ikm n GLU 516 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ikm n GLY 517 N 1.70 0.00 0.00 0.62 0.00 -1.22 -4.84 105.19 101.45 3ikm n GLY 517 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3ikm n GLY 517 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ikm n ALA 518 N -0.73 0.02 -0.87 4.61 0.00 -1.26 -4.95 120.51 117.33 3ikm n ALA 518 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ikm n ALA 518 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3ikm n ALA 518 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ikm n GLY 519 N 0.00 -2.01 0.69 0.00 0.00 -1.26 -3.66 105.19 98.95 3ikm n GLY 519 Ca 0.00 0.43 0.04 0.00 0.00 0.00 0.00 46.02 46.49 3ikm n GLY 519 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ikm n ALA 520 N -1.57 2.65 -0.48 4.61 0.00 -1.26 -4.52 120.51 119.93 3ikm n ALA 520 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.87 3ikm n ALA 520 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3ikm n ALA 520 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3ikm n PRO 521 N 0.30 -0.16 -0.35 0.00 -0.04 -1.24 -3.99 135.00 129.52 3ikm n PRO 521 Ca 0.10 -0.39 0.09 0.00 -0.04 0.00 0.00 63.50 63.26 3ikm n PRO 521 Cb 0.36 -0.76 0.23 0.00 -0.04 0.00 0.00 33.50 33.29 3ikm n PRO 521 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ikm n GLY 522 N -0.04 4.26 3.58 0.55 0.00 -1.25 -4.69 105.19 107.59 3ikm n GLY 522 Ca 0.00 -1.07 -0.43 0.00 0.00 0.00 0.00 46.02 44.52 3ikm n GLY 522 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ikm s ASP 523 N -2.18 6.77 0.46 1.61 -0.00 -1.26 -4.86 116.67 117.22 3ikm s ASP 523 Ca 0.40 -2.29 0.00 0.00 -0.00 0.00 0.00 52.55 50.66 3ikm s ASP 523 Cb 0.33 -2.58 0.00 0.00 -0.00 0.00 0.00 42.92 40.67 3ikm s ASP 523 CO 0.07 -1.24 0.00 -0.81 -0.00 0.00 0.00 175.17 173.20 3ikm n PRO 524 N 8.48 0.57 0.00 8.23 -0.04 -1.26 -4.05 135.00 146.92 3ikm n PRO 524 Ca 0.46 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 3ikm n PRO 524 Cb 0.47 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.93 3ikm n PRO 524 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ikm n MET 525 N -0.97 0.00 0.00 0.54 0.00 -1.26 -5.07 117.12 110.35 3ikm n MET 525 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 3ikm n MET 525 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 3ikm n MET 525 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 3ikm n ASP 526 N 0.00 0.00 0.00 3.17 5.75 -1.26 -4.99 116.55 119.22 3ikm n ASP 526 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 3ikm n ASP 526 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 3ikm n ASP 526 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 3ikm n GLN 527 N 14.00 0.00 -4.26 0.11 -0.06 -1.26 -5.03 117.38 120.88 3ikm n GLN 527 Ca 0.00 0.00 -0.30 0.00 -2.00 0.00 0.00 57.00 54.70 3ikm n GLN 527 Cb 0.00 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.15 3ikm n GLN 527 CO 0.00 0.00 0.00 -1.83 -0.20 0.00 0.00 177.06 175.03 3ikm s GLU 528 N 0.00 2.23 0.00 3.69 -1.05 -1.26 -5.12 118.70 117.19 3ikm s GLU 528 Ca 0.00 -2.22 0.00 0.00 -0.15 0.00 0.00 54.97 52.60 3ikm s GLU 528 Cb 0.00 -1.85 0.00 0.00 -0.44 0.00 0.00 34.13 31.84 3ikm s GLU 528 CO 0.00 -0.57 0.00 -0.25 0.95 0.00 0.00 175.26 175.39 3ikm n ASP 529 N -1.61 0.00 0.00 0.83 10.43 -1.26 -5.01 116.55 119.93 3ikm n ASP 529 Ca -0.10 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.26 3ikm n ASP 529 Cb 0.65 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.61 3ikm n ASP 529 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3ikm n LEU 530 N 0.00 0.00 -4.42 0.64 -0.00 -1.26 -5.17 117.00 106.78 3ikm n LEU 530 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 56.01 55.78 3ikm n LEU 530 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.32 3ikm n LEU 530 CO 0.00 0.00 -0.48 -0.83 -0.00 0.00 0.00 177.39 176.08 3ikm s GLY 531 N 0.00 1.72 0.26 1.47 0.00 -1.26 -5.15 107.32 104.37 3ikm s GLY 531 Ca 0.00 -1.77 -0.29 0.00 0.00 0.00 0.00 44.72 42.65 3ikm s GLY 531 CO 0.00 -1.86 1.23 -4.14 0.00 0.00 0.00 173.10 168.34 3ikm s PRO 532 N -3.41 4.47 0.00 2.90 0.02 -1.26 -5.00 135.00 132.72 3ikm s PRO 532 Ca 0.26 2.01 0.00 0.00 0.02 0.00 0.00 61.00 63.29 3ikm s PRO 532 Cb -0.04 -3.16 0.00 0.00 0.02 0.00 0.00 34.50 31.32 3ikm s PRO 532 CO 0.12 -0.07 0.00 0.00 -0.33 0.00 0.00 177.00 176.72 3ikm n SER 534 N -1.30 0.00 -3.61 0.00 2.88 -1.26 -4.63 113.62 105.70 3ikm n SER 534 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 3ikm n SER 534 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 3ikm n SER 534 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 3ikm s GLU 535 N 0.00 0.91 0.30 -1.46 2.12 -1.26 -5.19 118.70 114.12 3ikm s GLU 535 Ca 0.00 0.09 0.10 0.00 0.36 0.00 0.00 54.97 55.52 3ikm s GLU 535 Cb 0.00 0.42 -0.05 0.00 0.26 0.00 0.00 34.13 34.76 3ikm s GLU 535 CO 0.00 -0.27 -0.02 -1.83 -0.54 0.00 0.00 175.26 172.60 3ikm s GLU 536 N -1.23 2.13 0.23 4.30 -1.05 -1.26 -5.09 118.70 116.73 3ikm s GLU 536 Ca -0.12 -1.60 -0.14 0.00 -0.15 0.00 0.00 54.97 52.96 3ikm s GLU 536 Cb -0.02 -2.02 0.29 0.00 -0.44 0.00 0.00 34.13 31.94 3ikm s GLU 536 CO 0.08 0.26 1.58 0.93 0.95 0.00 0.00 175.26 179.06 3ikm h GLU 537 N 1.89 -0.03 -4.51 -4.83 4.39 -2.01 -3.46 114.58 106.01 3ikm h GLU 537 Ca -0.43 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.07 3ikm h GLU 537 Cb 1.25 0.01 -0.16 0.00 -0.10 0.00 0.00 28.75 29.75 3ikm h GLU 537 CO 0.63 -0.02 -0.70 -2.00 -1.16 0.00 0.00 179.01 175.76 3ikm s GLU 538 N -6.14 0.71 -0.14 2.33 2.12 -1.26 -5.07 118.70 111.25 3ikm s GLU 538 Ca -0.14 -1.20 0.01 0.00 0.36 0.00 0.00 54.97 53.99 3ikm s GLU 538 Cb 0.21 -0.10 -0.01 0.00 0.26 0.00 0.00 34.13 34.50 3ikm s GLU 538 CO 0.74 -0.03 -0.15 -0.59 -0.54 0.00 0.00 175.26 174.68 3ikm s PHE 539 N -3.30 2.77 -2.50 5.30 -0.71 -1.26 -4.17 117.98 114.11 3ikm s PHE 539 Ca 0.06 -0.84 0.00 0.00 -1.04 0.00 0.00 56.93 55.11 3ikm s PHE 539 Cb 0.03 -1.84 0.00 0.00 -1.21 0.00 0.00 43.02 40.00 3ikm s PHE 539 CO -0.05 -0.34 0.00 1.04 -1.34 0.00 0.00 175.22 174.53 3ikm n GLN 540 N 3.73 0.00 0.20 1.99 1.13 -1.26 -4.83 117.38 118.34 3ikm n GLN 540 Ca -0.19 0.00 0.06 0.00 -1.94 0.00 0.00 57.00 54.94 3ikm n GLN 540 Cb 0.52 0.00 0.41 0.00 0.11 0.00 0.00 30.24 31.29 3ikm n GLN 540 CO 0.00 0.00 0.00 -0.56 -1.44 0.00 0.00 177.06 175.06 3ikm h GLN 541 N 0.00 0.00 0.08 -1.09 3.07 -2.00 -3.28 115.11 111.89 3ikm h GLN 541 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 58.65 58.76 3ikm h GLN 541 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.52 3ikm h GLN 541 CO 0.00 0.33 -0.27 -0.44 0.09 0.00 0.00 178.83 178.54 3ikm h ASP 542 N 0.00 -0.78 -0.89 0.06 5.19 -1.91 1.89 116.42 119.98 3ikm h ASP 542 Ca -0.00 0.10 0.05 0.00 -0.62 0.00 0.00 57.03 56.55 3ikm h ASP 542 Cb 0.75 0.30 -0.05 0.00 0.18 0.00 0.00 39.33 40.51 3ikm h ASP 542 CO 0.04 -0.35 0.58 1.62 -3.12 0.00 0.00 179.24 178.01 3ikm h VAL 543 N -0.46 1.11 0.55 -1.35 3.04 -1.72 7.30 116.25 124.72 3ikm h VAL 543 Ca 0.04 -0.36 -0.03 0.00 -1.01 0.00 0.00 66.70 65.34 3ikm h VAL 543 Cb 0.50 -0.04 0.01 0.00 -2.01 0.00 0.00 31.29 29.75 3ikm h VAL 543 CO -0.18 0.19 -0.27 -0.03 -1.01 0.00 0.00 177.57 176.27 3ikm h MET 544 N 1.06 -0.72 -0.03 4.17 1.85 -1.44 1.09 114.93 120.91 3ikm h MET 544 Ca 0.37 0.05 0.04 0.00 -0.61 0.00 0.00 59.70 59.54 3ikm h MET 544 Cb 0.11 0.16 -0.05 0.00 0.43 0.00 0.00 31.60 32.25 3ikm h MET 544 CO -0.12 -0.48 -0.32 0.00 -0.40 0.00 0.00 176.91 175.59 3ikm h ALA 545 N -1.22 -0.43 0.00 0.39 0.00 0.33 1.30 119.26 119.63 3ikm h ALA 545 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3ikm h ALA 545 Cb 0.57 0.57 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3ikm h ALA 545 CO 0.12 -0.82 0.00 0.00 0.00 0.00 0.00 179.25 178.56 3ikm h ARG 546 N -0.45 0.00 -0.34 0.00 3.08 1.54 0.30 114.38 118.50 3ikm h ARG 546 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3ikm h ARG 546 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3ikm h ARG 546 CO -0.28 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.62 3ikm n ALA 547 N -2.01 2.69 -0.01 0.04 0.00 0.38 -3.87 120.51 117.73 3ikm n ALA 547 Ca 0.00 -1.75 0.01 0.00 0.00 0.00 0.00 53.44 51.70 3ikm n ALA 547 Cb 0.23 -0.64 -0.05 0.00 0.00 0.00 0.00 19.45 18.99 3ikm n ALA 547 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ikm h LEU 549 N 0.00 -0.08 -1.20 0.00 3.38 -0.67 -1.48 115.31 115.26 3ikm h LEU 549 Ca -0.06 0.00 0.32 0.00 0.09 0.00 0.00 57.88 58.24 3ikm h LEU 549 Cb 0.68 0.02 -0.12 0.00 0.09 0.00 0.00 40.66 41.33 3ikm h LEU 549 CO 0.00 0.25 0.67 1.56 0.09 0.00 0.00 178.44 181.01 3ikm h GLN 550 N -0.72 0.31 0.02 1.13 4.20 -1.84 2.54 115.11 120.75 3ikm h GLN 550 Ca -0.01 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 3ikm h GLN 550 Cb 0.08 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3ikm h GLN 550 CO 0.02 0.21 -0.01 0.87 -0.67 0.00 0.00 178.83 179.25 3ikm h LYS 551 N 0.32 -0.02 -0.70 1.46 6.56 -1.81 2.18 116.57 124.56 3ikm h LYS 551 Ca 0.70 0.00 0.09 0.00 -1.06 0.00 0.00 60.65 60.39 3ikm h LYS 551 Cb 1.77 0.00 -0.07 0.00 -0.57 0.00 0.00 32.23 33.37 3ikm h LYS 551 CO -0.46 0.42 0.34 -0.07 -2.06 0.00 0.00 179.45 177.62 3ikm h LEU 552 N -0.46 0.44 -0.08 2.94 3.38 0.30 -0.40 115.31 121.43 3ikm h LEU 552 Ca -0.00 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3ikm h LEU 552 Cb 0.45 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 3ikm h LEU 552 CO 0.00 0.25 -0.12 0.11 0.09 0.00 0.00 178.44 178.77 3ikm h LYS 553 N 0.58 0.22 -0.36 1.13 1.57 0.40 -3.15 116.57 116.96 3ikm h LYS 553 Ca 0.35 -0.13 0.08 0.00 -1.87 0.00 0.00 60.65 59.07 3ikm h LYS 553 Cb 0.37 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.61 3ikm h LYS 553 CO -0.27 0.70 -0.16 0.78 -0.57 0.00 0.00 179.45 179.93 3ikm h GLY 554 N -0.24 0.13 -0.30 3.86 0.00 0.42 0.15 103.07 107.09 3ikm h GLY 554 Ca 0.01 0.21 0.28 0.00 0.00 0.00 0.00 47.33 47.82 3ikm h GLY 554 CO 0.03 -0.18 0.59 -0.84 0.00 0.00 0.00 176.54 176.14 3ikm h THR 555 N -0.10 0.44 -0.13 4.70 2.02 -1.12 0.26 112.91 118.99 3ikm h THR 555 Ca 0.18 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 3ikm h THR 555 Cb 0.37 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 3ikm h THR 555 CO -0.43 0.09 0.05 0.74 0.37 0.00 0.00 175.52 176.34 3ikm h THR 556 N 0.48 1.16 -0.44 3.16 2.02 -0.69 0.41 112.91 119.00 3ikm h THR 556 Ca 0.68 -0.49 0.08 0.00 0.77 0.00 0.00 66.41 67.45 3ikm h THR 556 Cb 1.42 1.24 -0.06 0.00 -1.74 0.00 0.00 68.15 69.01 3ikm h THR 556 CO -0.53 0.15 0.07 -0.33 0.37 0.00 0.00 175.52 175.25 3ikm h GLU 557 N 0.04 0.19 -1.00 6.66 5.08 0.30 0.36 114.58 126.21 3ikm h GLU 557 Ca 0.04 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.48 3ikm h GLU 557 Cb 0.19 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.32 3ikm h GLU 557 CO -0.00 0.12 0.64 1.25 -1.00 0.00 0.00 179.01 180.02 3ikm h LEU 558 N 0.19 0.99 0.00 1.33 5.85 -0.78 -3.39 115.31 119.50 3ikm h LEU 558 Ca 0.22 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.97 3ikm h LEU 558 Cb 0.29 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.14 3ikm h LEU 558 CO -0.31 0.59 0.00 -0.11 -0.34 0.00 0.00 178.44 178.27 3ikm n LEU 559 N -4.56 0.00 -2.48 2.25 7.94 0.13 -4.24 117.00 116.04 3ikm n LEU 559 Ca 0.17 0.00 -0.23 0.00 -1.11 0.00 0.00 56.01 54.84 3ikm n LEU 559 Cb 0.25 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.21 3ikm n LEU 559 CO 0.30 -0.55 -0.35 -2.65 -1.11 0.00 0.00 177.39 173.03 3ikm n PRO 560 N -0.09 0.00 -0.97 1.96 -0.02 -1.25 -3.24 135.00 131.39 3ikm n PRO 560 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3ikm n PRO 560 Cb 0.00 -0.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.90 3ikm n PRO 560 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3ikm n LYS 561 N 0.86 -0.25 0.00 -0.52 5.02 -1.26 -4.88 118.16 117.13 3ikm n LYS 561 Ca 0.05 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 3ikm n LYS 561 Cb 0.27 -3.21 0.00 0.00 -0.02 0.00 0.00 35.03 32.07 3ikm n LYS 561 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3ikm n ARG 562 N -2.15 0.00 -0.02 1.97 1.74 -1.20 -4.71 116.66 112.29 3ikm n ARG 562 Ca 0.00 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.15 3ikm n ARG 562 Cb 0.06 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.34 3ikm n ARG 562 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3ikm n PRO 563 N 0.15 0.66 -0.00 5.56 -0.02 -1.26 -4.42 135.00 135.67 3ikm n PRO 563 Ca 0.00 -0.16 0.01 0.00 -2.02 0.00 0.00 63.50 61.33 3ikm n PRO 563 Cb 0.00 -1.48 -0.01 0.00 -0.02 0.00 0.00 33.50 31.99 3ikm n PRO 563 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ikm n GLN 564 N -2.28 0.75 -0.15 -0.52 -0.00 -1.26 -3.35 117.38 110.56 3ikm n GLN 564 Ca -0.08 -0.01 -0.03 0.00 -0.00 0.00 0.00 57.00 56.88 3ikm n GLN 564 Cb 0.62 -0.98 0.05 0.00 -0.00 0.00 0.00 30.24 29.93 3ikm n GLN 564 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 3ikm h HIS 565 N 0.00 -0.08 -2.96 2.61 2.76 -1.86 -3.26 115.15 112.35 3ikm h HIS 565 Ca 0.00 0.04 -0.61 0.00 -2.20 0.00 0.00 60.37 57.59 3ikm h HIS 565 Cb 0.05 0.11 -0.04 0.00 1.55 0.00 0.00 27.41 29.08 3ikm h HIS 565 CO 0.00 -0.13 -0.44 -0.51 -1.30 0.00 0.00 177.93 175.55 3ikm s LEU 566 N -10.60 4.34 0.00 0.26 1.02 -1.26 -2.31 118.68 110.13 3ikm s LEU 566 Ca -0.14 0.40 0.03 0.00 0.02 0.00 0.00 54.13 54.45 3ikm s LEU 566 Cb 0.16 -2.97 0.19 0.00 0.02 0.00 0.00 46.19 43.59 3ikm s LEU 566 CO 0.72 0.16 0.57 -0.81 0.02 0.00 0.00 176.35 177.02 3ikm n PRO 567 N 0.43 0.37 -1.53 1.29 -0.04 -1.21 -4.44 135.00 129.87 3ikm n PRO 567 Ca -0.06 0.00 -0.47 0.00 -0.04 0.00 0.00 63.50 62.93 3ikm n PRO 567 Cb 0.52 -1.13 -0.05 0.00 -0.04 0.00 0.00 33.50 32.79 3ikm n PRO 567 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ikm n GLY 568 N -0.17 0.81 0.00 0.55 0.00 -0.98 -4.55 105.19 100.85 3ikm n GLY 568 Ca 0.02 0.85 0.00 0.00 0.00 0.00 0.00 46.02 46.90 3ikm n GLY 568 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3ikm n HIS 569 N 10.61 0.00 -1.52 1.61 -0.00 0.14 -4.56 115.22 121.51 3ikm n HIS 569 Ca 0.35 0.00 -0.37 0.00 0.46 0.00 0.00 57.72 58.16 3ikm n HIS 569 Cb 0.34 0.00 0.06 0.00 -0.12 0.00 0.00 29.99 30.27 3ikm n HIS 569 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 3ikm n PRO 570 N -2.22 0.71 -2.49 1.57 -0.04 -1.23 -4.90 135.00 126.40 3ikm n PRO 570 Ca 0.00 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 3ikm n PRO 570 Cb 0.48 -2.13 0.00 0.00 -0.04 0.00 0.00 33.50 31.81 3ikm n PRO 570 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ikm n GLY 571 N 1.31 -0.57 0.45 0.55 0.00 -1.26 -4.57 105.19 101.09 3ikm n GLY 571 Ca 0.13 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.42 3ikm n GLY 571 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3ikm n TRP 572 N 3.95 0.00 -2.33 1.61 8.01 -1.26 -5.00 117.44 122.42 3ikm n TRP 572 Ca 0.00 0.00 -0.43 0.00 -1.31 0.00 0.00 57.50 55.76 3ikm n TRP 572 Cb 0.00 -1.60 -0.02 0.00 -2.01 0.00 0.00 31.31 27.67 3ikm n TRP 572 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 3ikm s TYR 573 N 0.00 2.65 0.44 -5.99 4.12 -1.26 -4.83 117.35 112.47 3ikm s TYR 573 Ca 0.00 0.82 0.23 0.00 0.02 0.00 0.00 57.07 58.14 3ikm s TYR 573 Cb 0.00 -3.60 1.22 0.00 -1.52 0.00 0.00 41.96 38.05 3ikm s TYR 573 CO 0.00 -2.19 1.80 0.00 0.02 0.00 0.00 175.55 175.18 3ikm h ARG 574 N 8.53 0.28 -6.97 -0.62 3.08 -1.98 -3.37 114.38 113.33 3ikm h ARG 574 Ca -0.29 -0.02 -0.56 0.00 0.07 0.00 0.00 59.98 59.18 3ikm h ARG 574 Cb 1.12 -0.06 0.15 0.00 0.08 0.00 0.00 29.97 31.25 3ikm h ARG 574 CO 0.97 0.19 0.47 1.17 -1.07 0.00 0.00 179.97 181.69 3ikm n LYS 575 N -4.50 1.45 0.00 0.04 3.00 -1.26 -4.95 118.16 111.94 3ikm n LYS 575 Ca 0.24 0.54 0.00 0.00 -0.00 0.00 0.00 58.31 59.09 3ikm n LYS 575 Cb 0.92 -2.45 0.00 0.00 0.00 0.00 0.00 35.03 33.51 3ikm n LYS 575 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 3ikm n LEU 576 N -0.92 0.00 0.00 3.14 7.94 -1.26 -4.91 117.00 120.98 3ikm n LEU 576 Ca 0.12 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.02 3ikm n LEU 576 Cb 0.45 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.40 3ikm n LEU 576 CO 0.52 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.80 3ikm n PRO 578 N 2.35 0.00 -1.52 0.00 -0.04 -1.26 -4.34 135.00 130.18 3ikm n PRO 578 Ca 0.00 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 3ikm n PRO 578 Cb 0.00 -1.03 -0.11 0.00 -0.04 0.00 0.00 33.50 32.32 3ikm n PRO 578 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3ikm n ARG 579 N 0.60 0.38 0.00 0.54 1.74 -1.24 -4.29 116.66 114.40 3ikm n ARG 579 Ca 0.00 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 3ikm n ARG 579 Cb 0.00 -2.22 0.00 0.00 -1.02 0.00 0.00 32.46 29.22 3ikm n ARG 579 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 3ikm n LEU 580 N 12.46 0.29 -4.12 0.55 -0.00 -1.25 -4.52 117.00 120.41 3ikm n LEU 580 Ca 0.55 -0.15 -0.34 0.00 -0.00 0.00 0.00 56.01 56.08 3ikm n LEU 580 Cb 0.22 -0.15 -0.14 0.00 -0.00 0.00 0.00 43.42 43.35 3ikm n LEU 580 CO 0.86 0.07 -0.40 -1.81 -0.00 0.00 0.00 177.39 176.11 3ikm s ASP 581 N -0.90 4.69 -0.34 1.45 1.01 -1.26 -4.65 116.67 116.67 3ikm s ASP 581 Ca 0.00 -1.34 0.02 0.00 0.71 0.00 0.00 52.55 51.94 3ikm s ASP 581 Cb 0.00 -1.64 0.09 0.00 1.01 0.00 0.00 42.92 42.38 3ikm s ASP 581 CO 0.00 -0.23 0.06 -0.62 0.21 0.00 0.00 175.17 174.59 3ikm s ASP 582 N 1.18 4.85 -0.02 0.27 2.15 -1.26 -4.90 116.67 118.95 3ikm s ASP 582 Ca -0.07 -1.93 -0.30 0.00 0.43 0.00 0.00 52.55 50.68 3ikm s ASP 582 Cb -0.20 -1.67 -0.04 0.00 -0.30 0.00 0.00 42.92 40.71 3ikm s ASP 582 CO -0.03 -0.38 1.22 -2.16 -0.17 0.00 0.00 175.17 173.65 3ikm s PRO 583 N 1.02 4.37 0.21 4.34 0.04 -1.26 -4.96 135.00 138.75 3ikm s PRO 583 Ca 0.06 1.73 0.09 0.00 0.04 0.00 0.00 61.00 62.92 3ikm s PRO 583 Cb -0.20 -3.50 0.10 0.00 0.04 0.00 0.00 34.50 30.94 3ikm s PRO 583 CO -0.06 -0.41 1.46 0.00 0.04 0.00 0.00 177.00 178.03 3ikm h ALA 584 N 7.33 0.69 -2.68 8.56 0.00 -2.03 -3.46 119.26 127.66 3ikm h ALA 584 Ca -0.37 -0.71 -0.63 0.00 0.00 0.00 0.00 54.91 53.20 3ikm h ALA 584 Cb 1.18 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 3ikm h ALA 584 CO 0.86 0.98 -0.36 -1.58 0.00 0.00 0.00 179.25 179.15 3ikm s TRP 585 N -3.19 3.62 -0.51 0.00 0.23 -1.26 -5.00 118.94 112.84 3ikm s TRP 585 Ca -0.00 0.67 0.23 0.00 -2.03 0.00 0.00 56.10 54.97 3ikm s TRP 585 Cb 0.11 -2.05 -0.01 0.00 0.03 0.00 0.00 33.47 31.55 3ikm s TRP 585 CO 0.79 0.66 0.96 2.41 0.96 0.00 0.00 176.95 182.73 3ikm n THR 586 N 1.56 0.20 -1.68 2.01 -1.04 -1.26 -4.97 114.28 109.11 3ikm n THR 586 Ca -0.15 -0.31 -0.45 0.00 -2.04 0.00 0.00 64.05 61.10 3ikm n THR 586 Cb 0.53 0.13 -0.04 0.00 -1.82 0.00 0.00 70.33 69.14 3ikm n THR 586 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3ikm n PRO 587 N -2.08 2.20 -0.93 -2.82 -0.02 -1.26 -4.95 135.00 125.14 3ikm n PRO 587 Ca 0.01 0.79 -0.37 0.00 -2.02 0.00 0.00 63.50 61.91 3ikm n PRO 587 Cb 0.46 -2.55 0.06 0.00 -0.02 0.00 0.00 33.50 31.46 3ikm n PRO 587 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ikm n GLY 588 N 3.19 -3.02 3.28 -1.23 0.00 -1.26 -4.44 105.19 101.71 3ikm n GLY 588 Ca 0.16 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 3ikm n GLY 588 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ikm n PRO 589 N 1.56 -0.60 -4.46 1.61 -0.02 -1.26 -5.00 135.00 126.83 3ikm n PRO 589 Ca -0.01 -0.02 -0.21 0.00 -2.02 0.00 0.00 63.50 61.23 3ikm n PRO 589 Cb 0.71 -0.40 -0.14 0.00 -0.02 0.00 0.00 33.50 33.66 3ikm n PRO 589 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3ikm s SER 590 N -3.24 1.73 -0.40 2.55 1.04 -1.26 -5.00 113.70 109.12 3ikm s SER 590 Ca 0.06 -0.41 0.05 0.00 0.48 0.00 0.00 55.95 56.13 3ikm s SER 590 Cb -0.03 -0.14 0.17 0.00 0.10 0.00 0.00 66.02 66.12 3ikm s SER 590 CO 0.27 0.08 0.46 -1.48 0.98 0.00 0.00 173.24 173.56 3ikm s LEU 591 N -0.92 -0.38 0.42 2.42 0.05 -1.26 -5.05 118.68 113.96 3ikm s LEU 591 Ca 0.03 -1.56 0.21 0.00 0.05 0.00 0.00 54.13 52.86 3ikm s LEU 591 Cb -0.07 0.90 0.87 0.00 -2.05 0.00 0.00 46.19 45.85 3ikm s LEU 591 CO 0.01 -0.21 1.82 -0.07 -0.55 0.00 0.00 176.35 177.35 3ikm h LEU 592 N 6.72 0.00 -0.80 1.48 4.07 -1.99 -3.14 115.31 121.65 3ikm h LEU 592 Ca 0.07 0.00 0.14 0.00 0.08 0.00 0.00 57.88 58.17 3ikm h LEU 592 Cb 1.07 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 42.72 3ikm h LEU 592 CO 0.17 0.29 0.37 -1.28 -1.08 0.00 0.00 178.44 176.91 3ikm h SER 593 N 0.00 0.40 0.18 -0.43 0.87 -1.92 2.76 113.55 115.40 3ikm h SER 593 Ca -0.00 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 3ikm h SER 593 Cb 0.74 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 3ikm h SER 593 CO 0.04 0.16 0.00 0.18 -0.53 0.00 0.00 176.83 176.68 3ikm n LEU 594 N -4.94 0.00 -0.10 2.23 7.99 -1.18 -2.09 117.00 118.91 3ikm n LEU 594 Ca 0.16 0.42 -0.21 0.00 -0.01 0.00 0.00 56.01 56.36 3ikm n LEU 594 Cb 0.42 -0.42 -0.07 0.00 -0.11 0.00 0.00 43.42 43.24 3ikm n LEU 594 CO 0.20 -0.33 -1.19 0.00 -1.51 0.00 0.00 177.39 174.56 3ikm n GLN 595 N -1.42 0.43 -1.15 3.23 1.13 0.80 -4.86 117.38 115.54 3ikm n GLN 595 Ca 0.02 0.18 -0.53 0.00 -1.94 0.00 0.00 57.00 54.73 3ikm n GLN 595 Cb 0.06 -1.23 -0.11 0.00 0.11 0.00 0.00 30.24 29.08 3ikm n GLN 595 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 3ikm n MET 596 N -3.84 0.00 0.00 -1.09 2.81 0.52 -4.67 117.12 110.85 3ikm n MET 596 Ca -0.39 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.50 3ikm n MET 596 Cb 0.79 -1.36 0.00 0.00 -0.71 0.00 0.00 33.22 31.94 3ikm n MET 596 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3ikm n ARG 597 N 6.88 0.00 0.00 0.03 1.74 -1.26 -2.66 116.66 121.38 3ikm n ARG 597 Ca 0.51 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.59 3ikm n ARG 597 Cb -0.03 -0.18 0.00 0.00 -1.02 0.00 0.00 32.46 31.22 3ikm n ARG 597 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3ikm n VAL 598 N -0.03 0.00 0.00 1.55 0.31 -1.26 -3.33 118.33 115.57 3ikm n VAL 598 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3ikm n VAL 598 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3ikm n VAL 598 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3ikm n THR 599 N -1.18 0.00 0.30 2.52 -1.04 -1.09 0.23 114.28 114.02 3ikm n THR 599 Ca 0.00 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.11 3ikm n THR 599 Cb 0.00 0.00 0.17 0.00 -1.82 0.00 0.00 70.33 68.68 3ikm n THR 599 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3ikm n PRO 600 N -1.34 2.24 0.14 -2.82 -0.04 -1.21 -2.21 135.00 129.76 3ikm n PRO 600 Ca 0.00 -2.07 0.12 0.00 -0.04 0.00 0.00 63.50 61.51 3ikm n PRO 600 Cb 0.00 -1.43 0.06 0.00 -0.04 0.00 0.00 33.50 32.09 3ikm n PRO 600 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3ikm h LYS 601 N 3.80 0.00 0.00 0.54 6.56 0.26 -3.31 116.57 124.42 3ikm h LYS 601 Ca 0.00 0.00 -0.19 0.00 -1.06 0.00 0.00 60.65 59.40 3ikm h LYS 601 Cb 0.87 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.50 3ikm h LYS 601 CO 0.00 0.00 -1.14 1.28 -2.06 0.00 0.00 179.45 177.53 3ikm n LEU 602 N -2.82 1.85 -4.57 2.94 4.77 -1.23 -4.53 117.00 113.42 3ikm n LEU 602 Ca 0.01 0.47 -0.23 0.00 -0.03 0.00 0.00 56.01 56.23 3ikm n LEU 602 Cb 0.54 -0.94 -0.07 0.00 -2.33 0.00 0.00 43.42 40.62 3ikm n LEU 602 CO 0.38 0.12 1.33 -0.04 -1.33 0.00 0.00 177.39 177.85 3ikm s MET 603 N -2.34 2.13 -0.62 3.23 -1.94 -0.94 -4.80 119.30 114.02 3ikm s MET 603 Ca -0.26 -0.51 -0.34 0.00 -1.71 0.00 0.00 55.69 52.87 3ikm s MET 603 Cb 0.05 -5.07 -0.16 0.00 2.01 0.00 0.00 34.83 31.67 3ikm s MET 603 CO 0.51 -4.15 2.39 0.00 -0.01 0.00 0.00 175.02 173.75 3ikm n ALA 604 N 15.91 0.59 0.37 3.03 0.00 -1.26 -4.69 120.51 134.46 3ikm n ALA 604 Ca 0.43 -0.23 0.05 0.00 0.00 0.00 0.00 53.44 53.70 3ikm n ALA 604 Cb 0.46 -2.47 -0.07 0.00 0.00 0.00 0.00 19.45 17.37 3ikm n ALA 604 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ikm n LEU 605 N 10.60 0.37 -4.68 0.00 4.77 -1.26 0.21 117.00 127.02 3ikm n LEU 605 Ca 0.52 -0.35 -0.26 0.00 -0.03 0.00 0.00 56.01 55.88 3ikm n LEU 605 Cb 0.16 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.16 3ikm n LEU 605 CO 0.84 0.09 -0.23 0.28 -1.33 0.00 0.00 177.39 177.04 3ikm s THR 606 N -2.27 2.18 0.00 -5.08 -1.32 -1.26 -0.27 115.64 107.62 3ikm s THR 606 Ca 0.02 -1.86 -0.00 0.00 -1.21 0.00 0.00 61.69 58.64 3ikm s THR 606 Cb 0.08 -2.99 -0.00 0.00 -1.51 0.00 0.00 72.50 68.09 3ikm s THR 606 CO 0.47 -0.01 -0.00 0.79 -2.21 0.00 0.00 174.62 173.65 3ikm n TRP 607 N -1.09 0.00 -2.90 9.09 5.03 -1.23 -4.75 117.44 121.59 3ikm n TRP 607 Ca -0.03 0.00 0.10 0.00 3.03 0.00 0.00 57.50 60.59 3ikm n TRP 607 Cb 0.66 -0.00 -0.02 0.00 -1.03 0.00 0.00 31.31 30.91 3ikm n TRP 607 CO 0.00 0.00 0.00 -0.40 -0.03 0.00 0.00 177.69 177.26 3ikm n ASP 608 N -2.57 -6.81 0.00 -0.99 5.68 -1.25 0.14 116.55 110.75 3ikm n ASP 608 Ca -0.00 0.76 0.00 0.00 -0.50 0.00 0.00 54.79 55.04 3ikm n ASP 608 Cb 0.00 -2.15 0.00 0.00 -1.14 0.00 0.00 41.12 37.84 3ikm n ASP 608 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ikm n GLY 609 N -2.08 0.00 0.00 6.12 0.00 -1.26 -3.36 105.19 104.62 3ikm n GLY 609 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3ikm n GLY 609 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ikm n PHE 610 N -0.35 0.00 0.00 1.61 0.99 -1.22 -5.09 117.46 113.40 3ikm n PHE 610 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3ikm n PHE 610 Cb 0.00 0.06 0.00 0.00 -1.00 0.00 0.00 39.48 38.54 3ikm n PHE 610 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 3ikm n PRO 611 N 0.00 0.00 0.00 -1.08 -0.02 0.37 -4.88 135.00 129.39 3ikm n PRO 611 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3ikm n PRO 611 Cb 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.79 3ikm n PRO 611 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3ikm n LEU 612 N 0.00 0.00 -4.73 2.45 4.32 -1.25 -3.57 117.00 114.21 3ikm n LEU 612 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.58 3ikm n LEU 612 Cb 0.00 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.77 3ikm n LEU 612 CO 0.00 0.00 0.92 -2.28 -1.22 0.00 0.00 177.39 174.81 3ikm s HIS 613 N 0.00 3.39 0.00 -1.77 2.46 -1.26 -4.42 115.29 113.69 3ikm s HIS 613 Ca 0.00 1.32 0.00 0.00 0.47 0.00 0.00 55.06 56.85 3ikm s HIS 613 Cb 0.00 -3.48 0.00 0.00 -0.13 0.00 0.00 32.58 28.97 3ikm s HIS 613 CO 0.00 -1.44 0.00 0.66 -2.47 0.00 0.00 174.74 171.49 3ikm n TYR 614 N 2.95 0.00 -3.64 3.88 0.53 -1.26 -3.70 117.16 115.92 3ikm n TYR 614 Ca 0.06 0.00 -0.07 0.00 -1.02 0.00 0.00 57.90 56.87 3ikm n TYR 614 Cb 0.44 0.00 -0.07 0.00 -1.03 0.00 0.00 39.34 38.69 3ikm n TYR 614 CO 0.00 0.00 0.00 -1.12 -1.02 0.00 0.00 176.86 174.72 3ikm s SER 615 N -2.43 -0.42 -0.15 7.72 0.01 -1.00 -4.63 113.70 112.82 3ikm s SER 615 Ca 0.00 0.77 -0.37 0.00 1.31 0.00 0.00 55.95 57.66 3ikm s SER 615 Cb 0.00 0.86 -0.14 0.00 0.21 0.00 0.00 66.02 66.95 3ikm s SER 615 CO 0.00 -0.13 1.76 -1.84 0.41 0.00 0.00 173.24 173.44 3ikm n GLU 616 N 2.43 1.64 -3.47 12.44 0.28 -1.22 -3.79 120.64 128.95 3ikm n GLU 616 Ca -0.13 0.60 -0.24 0.00 -0.16 0.00 0.00 57.16 57.23 3ikm n GLU 616 Cb 0.56 -2.35 0.07 0.00 1.43 0.00 0.00 31.44 31.15 3ikm n GLU 616 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3ikm n ARG 617 N 5.55 -7.23 0.00 3.44 1.74 -1.26 -2.30 116.66 116.59 3ikm n ARG 617 Ca 0.24 0.85 0.00 0.00 -0.77 0.00 0.00 57.85 58.16 3ikm n ARG 617 Cb 0.21 -5.86 0.00 0.00 -1.02 0.00 0.00 32.46 25.79 3ikm n ARG 617 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 3ikm n HIS 618 N -4.90 -0.10 -4.18 -1.55 -0.00 -1.25 -2.01 115.22 101.23 3ikm n HIS 618 Ca -0.02 0.00 -0.17 0.00 0.46 0.00 0.00 57.72 57.99 3ikm n HIS 618 Cb 0.57 0.03 -0.06 0.00 -0.12 0.00 0.00 29.99 30.41 3ikm n HIS 618 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 3ikm s GLY 619 N -0.74 1.87 0.07 1.57 0.00 -1.26 -3.01 107.32 105.83 3ikm s GLY 619 Ca 0.00 -1.78 0.09 0.00 0.00 0.00 0.00 44.72 43.03 3ikm s GLY 619 CO 0.00 -1.24 -0.24 0.66 0.00 0.00 0.00 173.10 172.28 3ikm s TRP 620 N -3.31 2.08 -0.33 1.90 -2.14 -1.23 -2.37 118.94 113.54 3ikm s TRP 620 Ca 0.36 -0.39 -0.07 0.00 2.66 0.00 0.00 56.10 58.65 3ikm s TRP 620 Cb 0.01 -1.20 0.03 0.00 -3.10 0.00 0.00 33.47 29.22 3ikm s TRP 620 CO 0.23 0.18 0.12 0.20 -2.66 0.00 0.00 176.95 175.02 3ikm s GLY 621 N -1.53 1.84 1.13 3.67 0.00 -1.24 -3.12 107.32 108.07 3ikm s GLY 621 Ca 0.10 -1.66 -0.15 0.00 0.00 0.00 0.00 44.72 43.01 3ikm s GLY 621 CO 0.03 0.75 1.07 -0.19 0.00 0.00 0.00 173.10 174.77 3ikm s TYR 622 N 1.46 1.28 -0.20 1.90 1.51 1.58 -4.64 117.35 120.23 3ikm s TYR 622 Ca 0.00 0.82 -0.00 0.00 -1.01 0.00 0.00 57.07 56.88 3ikm s TYR 622 Cb -0.19 -3.27 0.18 0.00 -0.11 0.00 0.00 41.96 38.57 3ikm s TYR 622 CO 0.03 -3.54 1.79 1.47 -1.11 0.00 0.00 175.55 174.19 3ikm n LEU 623 N -4.60 5.54 -4.54 -1.29 -0.00 -1.26 -1.68 117.00 109.16 3ikm n LEU 623 Ca 0.08 -2.78 -0.43 0.00 -0.00 0.00 0.00 56.01 52.88 3ikm n LEU 623 Cb 0.58 -0.93 -0.00 0.00 -0.00 0.00 0.00 43.42 43.07 3ikm n LEU 623 CO 0.53 1.01 1.74 -0.69 -0.00 0.00 0.00 177.39 179.98 3ikm s VAL 624 N -1.47 4.42 0.00 1.47 1.01 -0.96 -4.75 120.40 120.13 3ikm s VAL 624 Ca 0.21 -2.09 0.00 0.00 0.00 0.00 0.00 61.98 60.11 3ikm s VAL 624 Cb 0.17 -5.09 0.00 0.00 0.00 0.00 0.00 36.38 31.46 3ikm s VAL 624 CO 0.01 -1.88 0.17 -0.81 0.00 0.00 0.00 175.10 172.59 3ikm n PRO 625 N 7.49 0.00 0.00 2.72 -0.04 0.92 -3.85 135.00 142.23 3ikm n PRO 625 Ca 0.44 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.90 3ikm n PRO 625 Cb 0.45 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 3ikm n PRO 625 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ikm n GLY 626 N 2.14 1.86 1.29 0.55 0.00 -1.21 -4.71 105.19 105.12 3ikm n GLY 626 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.56 3ikm n GLY 626 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3ikm n ARG 627 N 2.15 0.00 0.00 1.61 3.00 -1.26 -4.91 116.66 117.26 3ikm n ARG 627 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3ikm n ARG 627 Cb 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 32.46 30.89 3ikm n ARG 627 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 3ikm n ARG 628 N -1.29 0.00 0.00 -0.14 1.85 -1.26 -4.98 116.66 110.84 3ikm n ARG 628 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3ikm n ARG 628 Cb 0.46 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.87 3ikm n ARG 628 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 3ikm n ASP 629 N 0.00 0.00 -4.20 2.89 4.64 -1.26 -4.64 116.55 113.97 3ikm n ASP 629 Ca 0.00 0.00 -0.36 0.00 -1.38 0.00 0.00 54.79 53.05 3ikm n ASP 629 Cb 0.00 0.00 -0.13 0.00 -1.04 0.00 0.00 41.12 39.95 3ikm n ASP 629 CO 0.00 0.00 0.00 0.21 -0.82 0.00 0.00 177.20 176.59 3ikm s ASN 630 N 0.00 5.03 -0.67 1.67 3.04 -0.09 -3.47 114.94 120.45 3ikm s ASN 630 Ca 0.00 -1.25 0.05 0.00 0.04 0.00 0.00 52.86 51.70 3ikm s ASN 630 Cb 0.00 -1.76 0.28 0.00 -1.54 0.00 0.00 41.25 38.23 3ikm s ASN 630 CO 0.00 -0.29 0.90 0.18 -3.04 0.00 0.00 177.10 174.85 3ikm n LEU 631 N 4.68 4.30 -4.58 3.21 4.77 -1.26 -4.57 117.00 123.55 3ikm n LEU 631 Ca -0.13 -5.50 -0.20 0.00 -0.03 0.00 0.00 56.01 50.16 3ikm n LEU 631 Cb 0.44 -0.70 -0.09 0.00 -2.33 0.00 0.00 43.42 40.74 3ikm n LEU 631 CO 0.28 2.12 1.25 0.00 -1.33 0.00 0.00 177.39 179.71 3ikm s ALA 632 N -2.86 0.98 0.21 -1.18 0.00 -1.26 -4.79 121.76 112.86 3ikm s ALA 632 Ca 0.42 -1.62 -0.18 0.00 0.00 0.00 0.00 51.96 50.58 3ikm s ALA 632 Cb 0.18 -4.67 -0.12 0.00 0.00 0.00 0.00 23.12 18.51 3ikm s ALA 632 CO -0.04 -6.16 0.23 1.63 0.00 0.00 0.00 175.76 171.41 3ikm n LYS 633 N 8.32 0.00 -0.64 0.00 5.02 -1.26 -4.90 118.16 124.70 3ikm n LYS 633 Ca 0.43 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.47 3ikm n LYS 633 Cb 0.46 -0.72 -0.03 0.00 -0.02 0.00 0.00 35.03 34.72 3ikm n LYS 633 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3ikm n LEU 634 N 1.56 -0.03 -4.21 -0.35 -0.00 -1.26 -4.27 117.00 108.45 3ikm n LEU 634 Ca 0.11 0.50 -0.27 0.00 -0.00 0.00 0.00 56.01 56.34 3ikm n LEU 634 Cb 0.23 -0.40 0.26 0.00 -0.00 0.00 0.00 43.42 43.51 3ikm n LEU 634 CO 0.40 -0.84 0.27 -2.65 -0.00 0.00 0.00 177.39 174.57 3ikm n PRO 635 N 0.64 -3.92 0.00 1.96 -0.02 -1.26 0.15 135.00 132.55 3ikm n PRO 635 Ca 0.09 -1.16 0.00 0.00 -2.02 0.00 0.00 63.50 60.41 3ikm n PRO 635 Cb 0.04 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 3ikm n PRO 635 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3ikm n THR 636 N -5.38 0.00 0.02 3.45 -1.04 -1.26 -3.21 114.28 106.85 3ikm n THR 636 Ca 0.10 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.99 3ikm n THR 636 Cb 0.54 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 69.00 3ikm n THR 636 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 3ikm h GLY 637 N 0.00 -0.58 0.18 3.41 0.00 -1.97 -0.11 103.07 104.00 3ikm h GLY 637 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.78 3ikm h GLY 637 CO 0.00 -0.23 -0.16 2.41 0.00 0.00 0.00 176.54 178.56 3ikm n THR 638 N -5.43 0.00 0.04 4.70 -1.04 0.12 -2.35 114.28 110.33 3ikm n THR 638 Ca -0.04 -0.15 -0.09 0.00 -2.04 0.00 0.00 64.05 61.74 3ikm n THR 638 Cb 0.35 0.33 -0.13 0.00 -1.82 0.00 0.00 70.33 69.05 3ikm n THR 638 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 3ikm h THR 639 N 1.37 1.46 -0.27 12.58 2.02 -0.76 -2.89 112.91 126.42 3ikm h THR 639 Ca 0.00 -3.19 -0.17 0.00 0.77 0.00 0.00 66.41 63.82 3ikm h THR 639 Cb 0.47 2.74 -0.00 0.00 -1.74 0.00 0.00 68.15 69.62 3ikm h THR 639 CO 0.00 0.84 -0.50 -0.07 0.37 0.00 0.00 175.52 176.16 3ikm h LEU 640 N 0.01 0.84 -0.25 2.58 3.38 -0.93 -0.47 115.31 120.48 3ikm h LEU 640 Ca -0.10 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.44 3ikm h LEU 640 Cb 1.86 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.37 3ikm h LEU 640 CO 0.12 1.20 0.00 -0.62 0.09 0.00 0.00 178.44 179.23 3ikm n GLU 641 N -4.00 0.06 -0.05 1.13 1.02 -0.99 -1.70 120.64 116.10 3ikm n GLU 641 Ca -0.03 0.35 0.02 0.00 -0.02 0.00 0.00 57.16 57.47 3ikm n GLU 641 Cb 0.60 -1.62 0.05 0.00 -0.02 0.00 0.00 31.44 30.44 3ikm n GLU 641 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3ikm n SER 642 N -1.72 2.24 0.00 1.62 3.41 -0.74 -4.78 113.62 113.64 3ikm n SER 642 Ca 0.02 -1.96 0.00 0.00 -0.26 0.00 0.00 58.87 56.67 3ikm n SER 642 Cb 0.16 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 3ikm n SER 642 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ikm n ALA 643 N -0.17 0.00 -0.00 7.33 0.00 -0.26 -4.39 120.51 123.02 3ikm n ALA 643 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.37 3ikm n ALA 643 Cb 0.29 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.61 3ikm n ALA 643 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3ikm h GLY 644 N 0.00 0.06 -7.08 0.00 0.00 -1.91 -3.49 103.07 90.65 3ikm h GLY 644 Ca 0.00 -0.15 -0.42 0.00 0.00 0.00 0.00 47.33 46.76 3ikm h GLY 644 CO 0.00 0.13 -0.71 -0.62 0.00 0.00 0.00 176.54 175.34 3ikm n VAL 645 N -3.16 -1.82 -1.31 4.60 0.31 -1.26 -4.83 118.33 110.86 3ikm n VAL 645 Ca -0.17 -0.39 0.15 0.00 -0.01 0.00 0.00 64.34 63.92 3ikm n VAL 645 Cb 1.04 -1.56 -0.08 0.00 -0.91 0.00 0.00 33.84 32.33 3ikm n VAL 645 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3ikm n VAL 646 N -3.73 -0.76 0.00 2.52 0.31 -1.26 -4.12 118.33 111.28 3ikm n VAL 646 Ca -0.08 0.79 0.00 0.00 -0.01 0.00 0.00 64.34 65.04 3ikm n VAL 646 Cb 0.39 -1.20 0.00 0.00 -0.91 0.00 0.00 33.84 32.12 3ikm n VAL 646 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ikm n PRO 648 N -0.08 0.65 0.21 0.00 -0.04 -1.26 -4.25 135.00 130.22 3ikm n PRO 648 Ca 0.00 -0.20 0.10 0.00 -0.04 0.00 0.00 63.50 63.36 3ikm n PRO 648 Cb 0.00 -1.51 0.22 0.00 -0.04 0.00 0.00 33.50 32.17 3ikm n PRO 648 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3ikm h TYR 649 N 0.00 0.00 0.00 0.54 0.99 -1.95 0.22 116.97 116.78 3ikm h TYR 649 Ca -0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.72 3ikm h TYR 649 Cb 1.01 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.74 3ikm h TYR 649 CO 0.00 0.16 -1.69 -2.13 -0.00 0.00 0.00 178.16 174.50 3ikm n ARG 650 N -3.16 0.62 0.19 4.88 0.63 -1.16 0.24 116.66 118.90 3ikm n ARG 650 Ca 0.03 -0.11 0.12 0.00 -0.92 0.00 0.00 57.85 56.97 3ikm n ARG 650 Cb 0.55 -1.60 0.16 0.00 0.45 0.00 0.00 32.46 32.01 3ikm n ARG 650 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3ikm h ALA 651 N 2.04 0.92 0.13 5.13 0.00 -1.57 -2.92 119.26 122.98 3ikm h ALA 651 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 3ikm h ALA 651 Cb 0.98 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.78 3ikm h ALA 651 CO 0.00 0.00 -1.19 0.82 0.00 0.00 0.00 179.25 178.88 3ikm h ILE 652 N 0.00 1.21 -0.69 0.00 2.04 -0.09 0.34 117.51 120.33 3ikm h ILE 652 Ca 0.00 -2.45 0.15 0.00 1.00 0.00 0.00 64.86 63.55 3ikm h ILE 652 Cb 0.98 2.90 -0.11 0.00 -0.74 0.00 0.00 36.82 39.85 3ikm h ILE 652 CO 0.00 0.70 0.08 -0.08 0.00 0.00 0.00 178.15 178.85 3ikm h GLU 653 N -0.33 0.18 -0.89 2.37 4.22 0.31 3.00 114.58 123.43 3ikm h GLU 653 Ca -0.24 -0.01 0.03 0.00 0.08 0.00 0.00 59.36 59.22 3ikm h GLU 653 Cb 1.72 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.87 3ikm h GLU 653 CO 0.09 0.12 0.58 1.03 -2.18 0.00 0.00 179.01 178.65 3ikm h SER 654 N 0.18 0.97 0.00 1.04 0.87 -1.51 -2.49 113.55 112.62 3ikm h SER 654 Ca 0.38 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 3ikm h SER 654 Cb 0.63 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 3ikm h SER 654 CO -0.54 0.67 0.00 0.18 -0.53 0.00 0.00 176.83 176.61 3ikm n LEU 655 N -4.51 0.00 0.00 2.23 4.77 0.94 -1.16 117.00 119.27 3ikm n LEU 655 Ca 0.11 0.73 0.00 0.00 -0.03 0.00 0.00 56.01 56.82 3ikm n LEU 655 Cb 0.08 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 3ikm n LEU 655 CO 0.34 -0.23 0.00 -1.22 -1.33 0.00 0.00 177.39 174.96 3ikm n TYR 656 N -1.55 0.00 0.06 -1.77 4.01 0.24 -1.37 117.16 116.78 3ikm n TYR 656 Ca 0.00 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.53 3ikm n TYR 656 Cb 0.00 -0.46 -0.12 0.00 -0.31 0.00 0.00 39.34 38.45 3ikm n TYR 656 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3ikm h ARG 657 N 0.00 0.58 0.53 -0.72 3.08 -0.76 -3.10 114.38 113.99 3ikm h ARG 657 Ca 0.00 -0.72 -0.02 0.00 0.07 0.00 0.00 59.98 59.31 3ikm h ARG 657 Cb 0.00 0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 3ikm h ARG 657 CO 0.00 1.31 -0.42 0.87 -1.07 0.00 0.00 179.97 180.66 3ikm h LYS 658 N 0.18 -0.90 0.00 0.04 1.57 0.06 -1.69 116.57 115.84 3ikm h LYS 658 Ca -0.15 0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3ikm h LYS 658 Cb 1.73 0.20 -0.00 0.00 0.08 0.00 0.00 32.23 34.25 3ikm h LYS 658 CO 0.20 -0.60 -0.07 1.12 -0.57 0.00 0.00 179.45 179.54 3ikm h HIS 659 N -0.93 0.00 -0.72 -1.35 2.07 -1.76 -3.04 115.15 109.42 3ikm h HIS 659 Ca -0.06 0.00 0.06 0.00 -2.85 0.00 0.00 60.37 57.53 3ikm h HIS 659 Cb 0.79 0.00 -0.09 0.00 2.57 0.00 0.00 27.41 30.68 3ikm h HIS 659 CO -0.17 0.07 -0.42 0.00 -3.07 0.00 0.00 177.93 174.33 3ikm h LEU 661 N 0.00 -0.82 -0.78 0.00 7.12 -1.46 -3.29 115.31 116.07 3ikm h LEU 661 Ca 0.12 0.03 0.07 0.00 0.13 0.00 0.00 57.88 58.23 3ikm h LEU 661 Cb 0.30 0.21 -0.10 0.00 -0.53 0.00 0.00 40.66 40.54 3ikm h LEU 661 CO -0.68 -0.59 -0.49 -0.33 -0.13 0.00 0.00 178.44 176.23 3ikm h GLU 662 N -0.97 -0.03 -0.98 1.25 4.39 -1.31 -1.35 114.58 115.58 3ikm h GLU 662 Ca -0.10 0.00 0.25 0.00 0.34 0.00 0.00 59.36 59.86 3ikm h GLU 662 Cb 0.75 0.01 -0.13 0.00 -0.10 0.00 0.00 28.75 29.27 3ikm h GLU 662 CO 0.16 -0.02 0.54 1.96 -1.16 0.00 0.00 179.01 180.49 3ikm h GLN 663 N -0.03 0.48 -1.01 2.33 4.20 -1.04 0.16 115.11 120.20 3ikm h GLN 663 Ca 0.13 -0.03 0.23 0.00 0.06 0.00 0.00 58.65 59.03 3ikm h GLN 663 Cb 0.36 -0.11 -0.10 0.00 0.30 0.00 0.00 27.48 27.93 3ikm h GLN 663 CO -0.75 0.31 0.62 0.78 -0.67 0.00 0.00 178.83 179.12 3ikm h GLY 664 N 0.49 1.58 0.90 3.46 0.00 -1.33 0.86 103.07 109.02 3ikm h GLY 664 Ca 0.64 -0.29 -0.05 0.00 0.00 0.00 0.00 47.33 47.63 3ikm h GLY 664 CO -0.51 -0.13 0.00 0.50 0.00 0.00 0.00 176.54 176.40 3ikm h LYS 665 N 0.58 0.58 0.00 4.80 1.57 -1.02 -2.26 116.57 120.82 3ikm h LYS 665 Ca 0.59 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 3ikm h LYS 665 Cb 1.18 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.44 3ikm h LYS 665 CO -0.36 0.71 0.04 1.04 -0.57 0.00 0.00 179.45 180.30 3ikm n GLN 666 N -4.53 0.08 -0.00 3.15 1.13 0.28 0.30 117.38 117.79 3ikm n GLN 666 Ca -0.02 0.57 -0.00 0.00 -1.94 0.00 0.00 57.00 55.60 3ikm n GLN 666 Cb 0.27 -1.81 -0.00 0.00 0.11 0.00 0.00 30.24 28.81 3ikm n GLN 666 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 3ikm h GLN 667 N 0.00 0.00 -0.93 -1.09 4.20 -0.53 -2.30 115.11 114.46 3ikm h GLN 667 Ca 0.00 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.80 3ikm h GLN 667 Cb 0.08 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 27.74 3ikm h GLN 667 CO 0.00 0.00 -0.56 -0.07 -0.67 0.00 0.00 178.83 177.53 3ikm h LEU 668 N -0.02 -2.04 -9.38 1.46 -0.00 -1.08 0.79 115.31 105.05 3ikm h LEU 668 Ca 0.00 0.32 -0.61 0.00 -0.00 0.00 0.00 57.88 57.59 3ikm h LEU 668 Cb 0.00 0.91 -0.10 0.00 -0.00 0.00 0.00 40.66 41.48 3ikm h LEU 668 CO 0.00 -0.26 -0.39 0.00 -0.00 0.00 0.00 178.44 177.79 3ikm s MET 669 N -5.58 4.06 0.20 1.13 0.23 0.89 0.78 119.30 121.02 3ikm s MET 669 Ca -0.13 -0.02 0.14 0.00 -1.03 0.00 0.00 55.69 54.66 3ikm s MET 669 Cb 0.12 -3.37 -0.03 0.00 -1.53 0.00 0.00 34.83 30.02 3ikm s MET 669 CO 0.63 0.39 1.27 -1.00 -2.03 0.00 0.00 175.02 174.29 3ikm h PRO 670 N 6.22 0.00 -6.22 3.16 0.13 -1.21 -2.60 132.00 131.48 3ikm h PRO 670 Ca -0.44 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.25 3ikm h PRO 670 Cb 1.18 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.11 3ikm h PRO 670 CO 0.72 0.54 -0.65 1.04 -0.23 0.00 0.00 178.00 179.41 3ikm n GLN 671 N -3.17 -0.89 -2.68 0.86 1.13 0.23 -4.61 117.38 108.25 3ikm n GLN 671 Ca -0.01 0.08 -0.04 0.00 -1.94 0.00 0.00 57.00 55.09 3ikm n GLN 671 Cb 0.80 -2.82 0.05 0.00 0.11 0.00 0.00 30.24 28.38 3ikm n GLN 671 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 3ikm n GLU 672 N -3.26 0.18 0.00 -1.09 2.13 -1.26 -5.01 120.64 112.33 3ikm n GLU 672 Ca -0.09 -0.92 0.00 0.00 0.66 0.00 0.00 57.16 56.81 3ikm n GLU 672 Cb 0.41 -0.20 0.00 0.00 0.27 0.00 0.00 31.44 31.92 3ikm n GLU 672 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3ikm n ALA 673 N 2.24 0.00 1.91 4.31 0.00 -1.26 -5.04 120.51 122.66 3ikm n ALA 673 Ca 0.09 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.57 3ikm n ALA 673 Cb 0.66 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.34 3ikm n ALA 673 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ikm n ARG 709 N 0.00 0.95 -1.16 0.00 1.74 -1.26 -4.96 116.66 111.98 3ikm n ARG 709 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3ikm n ARG 709 Cb 0.00 -1.13 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 3ikm n ARG 709 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ikm n ALA 710 N -0.63 -1.05 -2.77 7.54 0.00 -1.26 -4.98 120.51 117.36 3ikm n ALA 710 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.09 3ikm n ALA 710 Cb 0.03 -0.18 0.01 0.00 0.00 0.00 0.00 19.45 19.31 3ikm n ALA 710 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ikm n ALA 711 N 1.45 5.72 0.00 0.00 0.00 -1.26 -4.67 120.51 121.75 3ikm n ALA 711 Ca 0.00 -4.67 0.00 0.00 0.00 0.00 0.00 53.44 48.77 3ikm n ALA 711 Cb 0.02 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.34 3ikm n ALA 711 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3ikm n VAL 712 N 0.33 0.00 -2.68 0.00 0.31 -1.26 -3.21 118.33 111.83 3ikm n VAL 712 Ca 0.40 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.48 3ikm n VAL 712 Cb 0.29 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.21 3ikm n VAL 712 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3ikm n PRO 713 N -2.00 3.00 0.00 5.55 -0.04 -1.26 -4.71 135.00 135.53 3ikm n PRO 713 Ca 0.00 -4.42 0.00 0.00 -0.04 0.00 0.00 63.50 59.04 3ikm n PRO 713 Cb 0.00 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.35 3ikm n PRO 713 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ikm n GLY 714 N -0.32 0.00 3.56 0.55 0.00 -1.26 -4.51 105.19 103.20 3ikm n GLY 714 Ca 0.33 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.03 3ikm n GLY 714 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ikm s GLN 715 N -1.86 2.77 0.12 1.61 0.74 -1.26 -4.83 119.66 116.95 3ikm s GLN 715 Ca 0.00 -0.30 -0.05 0.00 0.05 0.00 0.00 55.36 55.07 3ikm s GLN 715 Cb 0.00 -4.98 0.18 0.00 1.10 0.00 0.00 33.01 29.31 3ikm s GLN 715 CO 0.00 -3.03 0.70 -2.30 -0.55 0.00 0.00 175.29 170.10 3ikm n PRO 716 N 8.93 -0.06 -0.42 1.67 -0.02 -1.26 0.30 135.00 144.15 3ikm n PRO 716 Ca 0.35 0.69 0.36 0.00 -2.02 0.00 0.00 63.50 62.87 3ikm n PRO 716 Cb 0.48 -1.03 0.68 0.00 -0.02 0.00 0.00 33.50 33.61 3ikm n PRO 716 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3ikm h LEU 717 N 0.00 0.18 -1.26 2.45 3.38 -1.88 1.15 115.31 119.33 3ikm h LEU 717 Ca 0.20 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.15 3ikm h LEU 717 Cb 0.31 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3ikm h LEU 717 CO -0.46 -0.03 -0.36 0.00 0.09 0.00 0.00 178.44 177.68 3ikm h ALA 718 N 1.45 1.30 -1.92 1.53 0.00 0.43 -2.70 119.26 119.34 3ikm h ALA 718 Ca 0.70 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3ikm h ALA 718 Cb 2.41 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 20.14 3ikm h ALA 718 CO -0.20 0.45 0.00 1.47 0.00 0.00 0.00 179.25 180.97 3ikm n LEU 719 N -3.95 0.00 -2.72 0.00 -0.00 0.40 -3.74 117.00 106.98 3ikm n LEU 719 Ca -0.02 0.68 -0.27 0.00 -0.00 0.00 0.00 56.01 56.41 3ikm n LEU 719 Cb 0.41 -0.18 -0.02 0.00 -0.00 0.00 0.00 43.42 43.63 3ikm n LEU 719 CO 0.38 -0.18 0.16 0.41 -0.00 0.00 0.00 177.39 178.16 3ikm n THR 720 N -1.35 2.70 -2.79 1.47 -1.04 -1.26 -4.76 114.28 107.26 3ikm n THR 720 Ca 0.00 -5.25 -0.17 0.00 -2.04 0.00 0.00 64.05 56.59 3ikm n THR 720 Cb 0.00 -1.31 0.07 0.00 -1.82 0.00 0.00 70.33 67.27 3ikm n THR 720 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ikm n ALA 721 N -0.35 0.58 -1.02 2.41 0.00 -1.02 -2.80 120.51 118.32 3ikm n ALA 721 Ca 0.35 -1.61 -0.01 0.00 0.00 0.00 0.00 53.44 52.17 3ikm n ALA 721 Cb 0.52 0.36 -0.00 0.00 0.00 0.00 0.00 19.45 20.33 3ikm n ALA 721 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ikm n ARG 722 N -2.23 -0.40 0.00 0.00 3.00 -1.26 -4.53 116.66 111.24 3ikm n ARG 722 Ca 0.13 0.18 0.00 0.00 -0.01 0.00 0.00 57.85 58.15 3ikm n ARG 722 Cb 0.47 -3.54 0.00 0.00 0.00 0.00 0.00 32.46 29.39 3ikm n ARG 722 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3ikm n GLY 723 N -2.22 -0.10 3.69 -0.13 0.00 -1.26 -5.14 105.19 100.03 3ikm n GLY 723 Ca -0.01 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 3ikm n GLY 723 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ikm s GLY 724 N 0.00 2.06 -0.09 -0.02 0.00 -1.12 -3.54 107.32 104.61 3ikm s GLY 724 Ca 0.00 -0.69 0.13 0.00 0.00 0.00 0.00 44.72 44.16 3ikm s GLY 724 CO 0.00 0.46 1.09 -1.05 0.00 0.00 0.00 173.10 173.60 3ikm n PRO 725 N 4.08 1.29 -0.16 2.90 -0.02 -0.97 -3.45 135.00 138.67 3ikm n PRO 725 Ca -0.13 -2.13 0.00 0.00 -2.02 0.00 0.00 63.50 59.22 3ikm n PRO 725 Cb 0.52 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.74 3ikm n PRO 725 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3ikm n LYS 726 N -1.05 0.00 0.00 -0.52 4.76 -1.23 -4.89 118.16 115.22 3ikm n LYS 726 Ca 0.11 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 3ikm n LYS 726 Cb 0.59 -0.74 0.00 0.00 -1.84 0.00 0.00 35.03 33.04 3ikm n LYS 726 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3ikm n ASP 727 N 0.00 0.00 0.00 4.39 3.85 -1.26 -5.11 116.55 118.42 3ikm n ASP 727 Ca 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.08 3ikm n ASP 727 Cb 0.00 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 3ikm n ASP 727 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.20 176.60 3ikm n THR 728 N -0.13 0.00 -4.34 2.12 -1.04 -1.26 -5.07 114.28 104.56 3ikm n THR 728 Ca 0.00 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.84 3ikm n THR 728 Cb 0.00 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.41 3ikm n THR 728 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3ikm s GLN 729 N 0.00 1.46 -0.11 -2.82 1.11 -1.26 -4.85 119.66 113.20 3ikm s GLN 729 Ca 0.00 -1.80 0.15 0.00 0.01 0.00 0.00 55.36 53.72 3ikm s GLN 729 Cb 0.00 -0.35 0.31 0.00 -1.01 0.00 0.00 33.01 31.96 3ikm s GLN 729 CO 0.00 -0.29 1.20 -0.35 0.01 0.00 0.00 175.29 175.86 3ikm n PRO 730 N -0.51 2.12 -0.00 2.91 -0.04 -1.26 -4.66 135.00 133.55 3ikm n PRO 730 Ca -0.00 -2.43 0.00 0.00 -0.04 0.00 0.00 63.50 61.03 3ikm n PRO 730 Cb 0.66 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 3ikm n PRO 730 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3ikm n SER 731 N -0.89 0.82 -2.93 3.54 7.64 -1.26 -4.47 113.62 116.07 3ikm n SER 731 Ca 0.14 -0.55 -0.13 0.00 1.01 0.00 0.00 58.87 59.34 3ikm n SER 731 Cb 0.62 -0.14 0.07 0.00 -1.01 0.00 0.00 64.21 63.76 3ikm n SER 731 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3ikm n TYR 732 N 0.88 -1.81 -3.02 1.43 0.53 -1.26 -4.92 117.16 108.99 3ikm n TYR 732 Ca 0.00 0.74 -0.44 0.00 -1.02 0.00 0.00 57.90 57.18 3ikm n TYR 732 Cb 0.14 -4.31 -0.05 0.00 -1.03 0.00 0.00 39.34 34.09 3ikm n TYR 732 CO 0.00 0.00 0.00 -1.58 -1.02 0.00 0.00 176.86 174.26 3ikm s HIS 733 N -3.29 2.92 -0.29 -0.72 2.46 -1.26 -5.01 115.29 110.09 3ikm s HIS 733 Ca 0.09 -0.47 -0.15 0.00 0.47 0.00 0.00 55.06 55.01 3ikm s HIS 733 Cb -0.01 -3.85 -0.03 0.00 -0.13 0.00 0.00 32.58 28.55 3ikm s HIS 733 CO 0.59 -1.24 0.35 -1.01 -2.47 0.00 0.00 174.74 170.96 3ikm s HIS 734 N 3.19 3.23 0.00 3.88 3.76 -1.26 -3.59 115.29 124.50 3ikm s HIS 734 Ca 0.19 0.26 0.00 0.00 -0.15 0.00 0.00 55.06 55.37 3ikm s HIS 734 Cb -0.18 -2.58 0.00 0.00 1.11 0.00 0.00 32.58 30.93 3ikm s HIS 734 CO 0.13 -0.28 0.00 0.41 -0.85 0.00 0.00 174.74 174.15 3ikm n GLY 735 N 4.80 0.00 1.90 -2.22 0.00 -1.16 -4.75 105.19 103.76 3ikm n GLY 735 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3ikm n GLY 735 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ikm n ASN 736 N 0.00 -7.97 -4.03 1.61 2.04 -1.17 -4.71 115.26 101.04 3ikm n ASN 736 Ca 0.00 1.34 -0.31 0.00 -0.44 0.00 0.00 54.58 55.17 3ikm n ASN 736 Cb 0.00 -4.63 -0.15 0.00 -2.53 0.00 0.00 39.78 32.47 3ikm n ASN 736 CO 0.00 0.00 0.00 -0.83 -0.44 0.00 0.00 177.26 175.99 3ikm s GLY 737 N -1.55 1.89 0.66 4.83 0.00 -1.26 -5.01 107.32 106.87 3ikm s GLY 737 Ca 0.00 -2.40 -0.11 0.00 0.00 0.00 0.00 44.72 42.20 3ikm s GLY 737 CO 0.00 0.89 1.05 2.56 0.00 0.00 0.00 173.10 177.59 3ikm s PRO 738 N 0.94 3.24 2.31 2.90 0.04 -1.26 -4.29 135.00 138.87 3ikm s PRO 738 Ca 0.08 0.89 0.00 0.00 0.04 0.00 0.00 61.00 62.01 3ikm s PRO 738 Cb -0.19 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.32 3ikm s PRO 738 CO -0.08 -0.86 0.00 0.98 0.04 0.00 0.00 177.00 177.08 3ikm n TYR 739 N -2.87 -0.94 0.00 0.56 9.36 -1.26 -4.49 117.16 117.51 3ikm n TYR 739 Ca 0.07 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.29 3ikm n TYR 739 Cb 0.54 0.17 0.00 0.00 -0.63 0.00 0.00 39.34 39.42 3ikm n TYR 739 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 3ikm n ASN 740 N -3.19 0.00 -4.69 2.98 3.02 -1.26 -3.75 115.26 108.36 3ikm n ASN 740 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.14 3ikm n ASN 740 Cb 0.00 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 3ikm n ASN 740 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 3ikm s ASP 741 N -4.00 7.00 0.00 6.41 1.47 -1.26 -4.90 116.67 121.38 3ikm s ASP 741 Ca 0.00 1.21 0.00 0.00 1.18 0.00 0.00 52.55 54.94 3ikm s ASP 741 Cb 0.00 -2.44 0.00 0.00 -0.34 0.00 0.00 42.92 40.14 3ikm s ASP 741 CO 0.00 -0.27 0.00 0.52 0.68 0.00 0.00 175.17 176.10 3ikm n VAL 742 N 4.29 0.00 -3.27 2.11 0.31 -1.25 -4.40 118.33 116.12 3ikm n VAL 742 Ca 0.02 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.32 3ikm n VAL 742 Cb 0.50 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.44 3ikm n VAL 742 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3ikm n ASP 743 N 0.00 -0.74 0.00 4.52 8.00 -1.26 -4.39 116.55 122.68 3ikm n ASP 743 Ca 0.00 -1.51 0.00 0.00 0.71 0.00 0.00 54.79 53.99 3ikm n ASP 743 Cb 0.00 1.23 0.00 0.00 -0.02 0.00 0.00 41.12 42.33 3ikm n ASP 743 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3ikm n ILE 744 N -0.18 0.00 1.12 0.53 -0.00 -1.23 -3.70 119.36 115.91 3ikm n ILE 744 Ca -0.03 0.00 0.12 0.00 -0.00 0.00 0.00 62.75 62.85 3ikm n ILE 744 Cb 0.19 0.00 0.19 0.00 -0.00 0.00 0.00 39.64 40.02 3ikm n ILE 744 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 3ikm n PRO 745 N 14.00 1.88 -4.46 6.28 -0.04 -1.26 -0.92 135.00 150.48 3ikm n PRO 745 Ca 0.00 -1.46 -0.21 0.00 -0.04 0.00 0.00 63.50 61.79 3ikm n PRO 745 Cb 0.00 -1.47 -0.15 0.00 -0.04 0.00 0.00 33.50 31.84 3ikm n PRO 745 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3ikm s GLY 746 N -2.12 0.56 0.30 0.55 0.00 -1.22 -0.06 107.32 105.33 3ikm s GLY 746 Ca 0.28 -0.42 -0.04 0.00 0.00 0.00 0.00 44.72 44.54 3ikm s GLY 746 CO 0.37 -0.24 0.56 0.00 0.00 0.00 0.00 173.10 173.79 3ikm s TRP 748 N -2.13 -0.02 -0.18 0.00 -0.00 -1.26 0.45 118.94 115.80 3ikm s TRP 748 Ca 0.43 0.06 -0.21 0.00 -0.00 0.00 0.00 56.10 56.38 3ikm s TRP 748 Cb -0.11 -0.01 -0.03 0.00 -0.00 0.00 0.00 33.47 33.33 3ikm s TRP 748 CO 0.31 -0.06 0.63 -0.06 -0.00 0.00 0.00 176.95 177.77 3ikm s PHE 749 N -0.22 3.40 -0.65 1.66 0.08 -1.18 -3.02 117.98 118.04 3ikm s PHE 749 Ca -0.03 0.96 -0.27 0.00 0.12 0.00 0.00 56.93 57.71 3ikm s PHE 749 Cb -0.02 -2.79 0.01 0.00 -0.57 0.00 0.00 43.02 39.65 3ikm s PHE 749 CO 0.00 -0.14 1.54 -0.06 -0.10 0.00 0.00 175.22 176.47 3ikm s PHE 750 N 1.76 2.02 0.36 0.36 0.40 -1.26 -3.50 117.98 118.13 3ikm s PHE 750 Ca 0.29 0.39 -0.27 0.00 -0.60 0.00 0.00 56.93 56.74 3ikm s PHE 750 Cb -0.16 -4.36 -0.12 0.00 0.51 0.00 0.00 43.02 38.89 3ikm s PHE 750 CO 0.11 -2.17 1.19 1.17 0.70 0.00 0.00 175.22 176.22 3ikm n LYS 751 N 9.16 1.81 -2.01 0.44 4.81 -1.16 -2.99 118.16 128.22 3ikm n LYS 751 Ca 0.12 0.64 -0.28 0.00 -0.87 0.00 0.00 58.31 57.92 3ikm n LYS 751 Cb 0.50 -2.20 0.08 0.00 0.02 0.00 0.00 35.03 33.43 3ikm n LYS 751 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3ikm s LEU 752 N -0.79 2.68 0.03 3.14 1.43 -1.24 -4.86 118.68 119.08 3ikm s LEU 752 Ca 0.58 0.72 0.01 0.00 -1.03 0.00 0.00 54.13 54.42 3ikm s LEU 752 Cb -0.58 -3.32 -0.02 0.00 0.03 0.00 0.00 46.19 42.30 3ikm s LEU 752 CO 0.60 -1.70 -0.06 -2.16 0.23 0.00 0.00 176.35 173.26 3ikm s PRO 753 N -5.42 0.42 0.00 1.29 0.04 -1.26 -4.96 135.00 125.11 3ikm s PRO 753 Ca 0.61 -0.67 0.02 0.00 0.04 0.00 0.00 61.00 60.99 3ikm s PRO 753 Cb -0.11 -0.12 0.03 0.00 0.04 0.00 0.00 34.50 34.35 3ikm s PRO 753 CO 0.48 0.01 0.87 1.58 0.04 0.00 0.00 177.00 179.97 3ikm n HIS 754 N 1.58 0.04 -0.11 0.56 -0.00 -1.26 -4.57 115.22 111.46 3ikm n HIS 754 Ca -0.23 -0.33 -0.06 0.00 0.46 0.00 0.00 57.72 57.56 3ikm n HIS 754 Cb 0.55 -0.03 0.00 0.00 -0.12 0.00 0.00 29.99 30.39 3ikm n HIS 754 CO 0.00 0.00 0.00 0.87 0.46 0.00 0.00 176.34 177.67 3ikm h LYS 755 N 0.29 -0.17 -0.15 1.57 1.57 -1.91 6.56 116.57 124.33 3ikm h LYS 755 Ca 0.00 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.84 3ikm h LYS 755 Cb 0.37 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3ikm h LYS 755 CO 0.00 -0.12 0.15 -0.44 -0.57 0.00 0.00 179.45 178.47 3ikm h ASP 756 N -0.18 0.00 0.00 0.86 5.19 -1.97 -2.67 116.42 117.65 3ikm h ASP 756 Ca 0.18 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 3ikm h ASP 756 Cb 0.47 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.98 3ikm h ASP 756 CO -0.48 0.00 -0.47 0.61 -3.12 0.00 0.00 179.24 175.77 3ikm n GLY 757 N -1.42 -0.90 0.00 2.75 0.00 0.26 -5.01 105.19 100.87 3ikm n GLY 757 Ca 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3ikm n GLY 757 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ikm n ASN 758 N -4.37 0.00 0.00 1.61 4.05 2.05 -5.01 115.26 113.59 3ikm n ASN 758 Ca -0.07 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.96 3ikm n ASN 758 Cb 0.25 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.26 3ikm n ASN 758 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 3ikm n SER 759 N 0.00 0.00 -4.71 1.20 2.88 -1.26 -4.93 113.62 106.80 3ikm n SER 759 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 3ikm n SER 759 Cb 0.00 0.01 -0.07 0.00 -0.75 0.00 0.00 64.21 63.40 3ikm n SER 759 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ikm n ASN 761 N 0.12 0.45 0.00 0.00 4.13 -1.26 -4.25 115.26 114.45 3ikm n ASN 761 Ca -0.10 0.55 0.00 0.00 1.68 0.00 0.00 54.58 56.71 3ikm n ASN 761 Cb 0.54 -0.41 0.00 0.00 -1.54 0.00 0.00 39.78 38.36 3ikm n ASN 761 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 3ikm n VAL 762 N 1.62 0.00 0.00 2.41 0.24 -1.26 -4.63 118.33 116.70 3ikm n VAL 762 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.43 3ikm n VAL 762 Cb -0.01 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.36 3ikm n VAL 762 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ikm n GLY 763 N -0.29 0.82 2.92 7.63 0.00 -0.85 -4.88 105.19 110.54 3ikm n GLY 763 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 3ikm n GLY 763 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ikm s SER 764 N 0.00 0.53 0.08 1.61 1.04 -1.26 -4.72 113.70 110.98 3ikm s SER 764 Ca 0.00 -0.07 0.04 0.00 0.48 0.00 0.00 55.95 56.39 3ikm s SER 764 Cb 0.00 -0.12 -0.24 0.00 0.10 0.00 0.00 66.02 65.76 3ikm s SER 764 CO 0.00 0.02 1.14 1.55 0.98 0.00 0.00 173.24 176.93 3ikm h PRO 765 N 6.35 0.10 -2.93 4.02 0.13 -1.90 -3.28 132.00 134.49 3ikm h PRO 765 Ca -0.31 -0.16 -0.81 0.00 -0.87 0.00 0.00 66.00 63.85 3ikm h PRO 765 Cb 1.18 0.06 -0.28 0.00 0.13 0.00 0.00 31.00 32.09 3ikm h PRO 765 CO 0.50 1.02 0.77 1.19 -0.23 0.00 0.00 178.00 181.25 3ikm n PHE 766 N -3.38 2.32 0.52 1.56 3.01 -1.26 -4.76 117.46 115.47 3ikm n PHE 766 Ca -0.05 -2.61 0.12 0.00 1.01 0.00 0.00 57.45 55.91 3ikm n PHE 766 Cb 0.98 -1.26 0.23 0.00 -0.01 0.00 0.00 39.48 39.43 3ikm n PHE 766 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3ikm h ALA 767 N 5.45 0.75 -2.01 4.37 0.00 -1.93 -3.50 119.26 122.39 3ikm h ALA 767 Ca 0.20 0.00 0.23 0.00 0.00 0.00 0.00 54.91 55.34 3ikm h ALA 767 Cb 0.62 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 3ikm h ALA 767 CO 1.33 0.00 -0.30 1.17 0.00 0.00 0.00 179.25 181.44 3ikm n LYS 768 N -2.30 -1.70 0.00 0.00 0.00 -1.26 -4.91 118.16 107.99 3ikm n LYS 768 Ca 0.04 1.12 0.00 0.00 0.00 0.00 0.00 58.31 59.47 3ikm n LYS 768 Cb 0.45 -2.07 0.00 0.00 0.00 0.00 0.00 35.03 33.41 3ikm n LYS 768 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 3ikm n ASP 769 N -2.95 -0.30 -0.32 3.14 -0.08 -1.26 -3.20 116.55 111.58 3ikm n ASP 769 Ca 0.01 0.00 0.15 0.00 -1.51 0.00 0.00 54.79 53.44 3ikm n ASP 769 Cb 0.38 0.00 0.35 0.00 2.34 0.00 0.00 41.12 44.19 3ikm n ASP 769 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 3ikm h PHE 770 N 0.00 0.82 0.45 -0.67 3.57 -1.91 -2.79 116.94 116.41 3ikm h PHE 770 Ca 0.00 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 3ikm h PHE 770 Cb 0.00 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 3ikm h PHE 770 CO 0.00 -0.00 -0.43 -0.07 -2.23 0.00 0.00 178.31 175.58 3ikm h LEU 771 N 0.48 -1.16 -0.73 0.59 4.07 -1.89 0.11 115.31 116.78 3ikm h LEU 771 Ca 0.60 0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.66 3ikm h LEU 771 Cb 1.15 0.38 0.00 0.00 1.08 0.00 0.00 40.66 43.28 3ikm h LEU 771 CO -0.51 -0.59 0.00 1.55 -1.08 0.00 0.00 178.44 177.81 3ikm h PRO 772 N -0.89 0.00 -0.05 1.13 0.13 -1.60 1.82 132.00 132.55 3ikm h PRO 772 Ca -0.05 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.99 3ikm h PRO 772 Cb 0.78 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 3ikm h PRO 772 CO -0.05 0.00 -0.40 0.87 -0.23 0.00 0.00 178.00 178.19 3ikm h LYS 773 N 0.00 0.10 0.06 0.86 1.79 -1.12 -0.33 116.57 117.93 3ikm h LYS 773 Ca 0.00 -0.04 -0.26 0.00 -2.18 0.00 0.00 60.65 58.17 3ikm h LYS 773 Cb 0.44 -0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.10 3ikm h LYS 773 CO 0.00 0.49 -1.09 0.52 -1.08 0.00 0.00 179.45 178.29 3ikm h MET 774 N 0.08 0.46 -6.35 3.15 2.86 0.20 -3.35 114.93 111.99 3ikm h MET 774 Ca 0.01 -0.57 -0.57 0.00 -2.06 0.00 0.00 59.70 56.50 3ikm h MET 774 Cb 0.75 0.18 -0.04 0.00 0.06 0.00 0.00 31.60 32.55 3ikm h MET 774 CO 0.06 1.22 1.09 -1.21 1.06 0.00 0.00 176.91 179.12 3ikm s GLU 775 N -3.08 3.73 0.00 1.72 2.02 0.57 -3.89 118.70 119.76 3ikm s GLU 775 Ca -0.07 1.38 0.00 0.00 0.02 0.00 0.00 54.97 56.30 3ikm s GLU 775 Cb 0.07 -4.01 0.00 0.00 0.10 0.00 0.00 34.13 30.29 3ikm s GLU 775 CO 0.89 -1.37 0.00 -3.47 0.02 0.00 0.00 175.26 171.34 3ikm n ASP 776 N 8.51 0.00 0.00 -0.19 -0.08 -1.26 -4.67 116.55 118.87 3ikm n ASP 776 Ca 0.18 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.46 3ikm n ASP 776 Cb 0.46 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.92 3ikm n ASP 776 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3ikm n GLY 777 N -0.07 0.51 0.09 0.27 0.00 -1.26 -3.84 105.19 100.89 3ikm n GLY 777 Ca 0.00 -0.83 0.01 0.00 0.00 0.00 0.00 46.02 45.20 3ikm n GLY 777 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ikm n THR 778 N 0.00 1.04 -4.12 2.61 -2.24 -1.26 -4.93 114.28 105.38 3ikm n THR 778 Ca 0.00 -0.68 -0.35 0.00 -2.27 0.00 0.00 64.05 60.76 3ikm n THR 778 Cb 0.00 -0.60 -0.12 0.00 -2.10 0.00 0.00 70.33 67.51 3ikm n THR 778 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3ikm s LEU 779 N -5.58 3.32 0.00 3.22 1.98 -1.25 -5.07 118.68 115.30 3ikm s LEU 779 Ca -0.04 -0.16 0.00 0.00 -2.89 0.00 0.00 54.13 51.04 3ikm s LEU 779 Cb 0.09 -1.84 0.00 0.00 0.66 0.00 0.00 46.19 45.10 3ikm s LEU 779 CO 0.82 0.09 0.00 0.00 -1.89 0.00 0.00 176.35 175.37 3ikm n GLN 780 N 4.05 0.00 0.00 1.98 1.13 -1.26 -3.58 117.38 119.71 3ikm n GLN 780 Ca -0.17 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.89 3ikm n GLN 780 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.87 3ikm n GLN 780 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3ikm n ALA 781 N -0.37 -1.05 0.00 -1.58 0.00 0.62 -4.78 120.51 113.35 3ikm n ALA 781 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ikm n ALA 781 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3ikm n ALA 781 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ikm n GLY 782 N 0.00 3.19 0.00 0.00 0.00 0.56 -4.08 105.19 104.86 3ikm n GLY 782 Ca 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.10 3ikm n GLY 782 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ikm n PRO 783 N -1.35 0.00 -2.43 1.61 -0.04 -1.25 -4.25 135.00 127.28 3ikm n PRO 783 Ca 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 3ikm n PRO 783 Cb 0.00 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.49 3ikm n PRO 783 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ikm n GLY 784 N 3.15 4.16 2.46 0.55 0.00 -1.26 -5.07 105.19 109.18 3ikm n GLY 784 Ca 0.00 -1.93 -0.21 0.00 0.00 0.00 0.00 46.02 43.88 3ikm n GLY 784 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ikm n GLY 785 N -0.59 3.51 2.67 -0.02 0.00 -1.26 -5.08 105.19 104.41 3ikm n GLY 785 Ca 0.26 -2.30 -0.21 0.00 0.00 0.00 0.00 46.02 43.78 3ikm n GLY 785 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ikm s ALA 786 N -2.57 0.23 0.00 4.61 0.00 -1.26 -4.88 121.76 117.90 3ikm s ALA 786 Ca 0.06 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.17 3ikm s ALA 786 Cb -0.00 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.44 3ikm s ALA 786 CO 0.04 -0.57 0.00 -1.13 0.00 0.00 0.00 175.76 174.10 3ikm n SER 787 N 5.30 0.00 0.00 0.00 3.41 -1.26 -5.01 113.62 116.06 3ikm n SER 787 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 3ikm n SER 787 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 3ikm n SER 787 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ikm n GLY 788 N 0.00 1.11 0.27 5.00 0.00 -1.26 -3.25 105.19 107.07 3ikm n GLY 788 Ca 0.00 0.51 0.12 0.00 0.00 0.00 0.00 46.02 46.65 3ikm n GLY 788 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ikm n PRO 789 N 0.00 -0.06 0.09 1.61 -0.04 -1.26 0.48 135.00 135.81 3ikm n PRO 789 Ca 0.00 1.19 -0.04 0.00 -0.04 0.00 0.00 63.50 64.61 3ikm n PRO 789 Cb 0.00 -1.89 0.16 0.00 -0.04 0.00 0.00 33.50 31.73 3ikm n PRO 789 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ikm h ARG 790 N 0.00 0.25 0.00 0.54 3.08 -1.95 1.66 114.38 117.96 3ikm h ARG 790 Ca 0.49 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.40 3ikm h ARG 790 Cb 1.03 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.09 3ikm h ARG 790 CO -0.74 0.71 0.00 0.00 -1.07 0.00 0.00 179.97 178.86 3ikm n ALA 791 N -2.47 2.06 0.03 0.04 0.00 1.73 -2.74 120.51 119.15 3ikm n ALA 791 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3ikm n ALA 791 Cb 0.55 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.82 3ikm n ALA 791 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ikm n LEU 792 N -0.86 0.62 -0.57 0.00 4.32 0.87 -4.48 117.00 116.90 3ikm n LEU 792 Ca 0.08 0.09 0.45 0.00 -0.02 0.00 0.00 56.01 56.61 3ikm n LEU 792 Cb 0.04 -0.18 0.71 0.00 -1.62 0.00 0.00 43.42 42.37 3ikm n LEU 792 CO 0.06 -0.65 1.29 -0.62 -1.22 0.00 0.00 177.39 176.25 3ikm n GLU 793 N -3.08 -0.02 0.08 3.23 -0.58 0.53 0.32 120.64 121.13 3ikm n GLU 793 Ca 0.00 1.10 -0.03 0.00 -0.42 0.00 0.00 57.16 57.81 3ikm n GLU 793 Cb 0.00 -2.34 -0.06 0.00 -0.57 0.00 0.00 31.44 28.46 3ikm n GLU 793 CO 0.00 0.00 0.00 -0.84 -0.48 0.00 0.00 177.13 175.81 3ikm h ILE 794 N 0.00 1.17 -0.11 -3.67 3.07 -1.73 -2.60 117.51 113.63 3ikm h ILE 794 Ca 0.86 -2.73 -0.01 0.00 1.55 0.00 0.00 64.86 64.54 3ikm h ILE 794 Cb 3.16 2.55 -0.00 0.00 -0.27 0.00 0.00 36.82 42.25 3ikm h ILE 794 CO -0.21 0.66 0.04 0.78 -1.05 0.00 0.00 178.15 178.37 3ikm h ASN 795 N 0.00 0.17 -0.36 2.16 -0.26 0.49 0.89 115.58 118.67 3ikm h ASN 795 Ca -0.05 -0.20 0.08 0.00 -0.56 0.00 0.00 56.30 55.56 3ikm h ASN 795 Cb 1.62 -0.04 -0.09 0.00 -1.06 0.00 0.00 38.32 38.75 3ikm h ASN 795 CO 0.09 0.33 -0.28 0.11 -1.06 0.00 0.00 177.43 176.61 3ikm h LYS 796 N -0.00 -0.23 -0.79 0.81 1.57 -0.94 0.13 116.57 117.12 3ikm h LYS 796 Ca 0.04 0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 3ikm h LYS 796 Cb 0.22 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.55 3ikm h LYS 796 CO -0.00 -0.15 0.34 0.52 -0.57 0.00 0.00 179.45 179.58 3ikm h MET 797 N -0.24 1.17 -0.69 3.15 0.00 -1.15 -2.98 114.93 114.20 3ikm h MET 797 Ca 0.17 -0.20 0.03 0.00 0.00 0.00 0.00 59.70 59.70 3ikm h MET 797 Cb 0.51 -0.20 -0.04 0.00 0.00 0.00 0.00 31.60 31.86 3ikm h MET 797 CO -0.49 0.94 0.43 -0.84 0.00 0.00 0.00 176.91 176.95 3ikm h ILE 798 N 1.15 1.09 0.11 -1.22 3.07 0.17 -3.15 117.51 118.73 3ikm h ILE 798 Ca 0.27 -0.29 -0.00 0.00 1.55 0.00 0.00 64.86 66.39 3ikm h ILE 798 Cb 0.19 0.17 -0.01 0.00 -0.27 0.00 0.00 36.82 36.90 3ikm h ILE 798 CO -0.03 0.15 -0.16 0.28 -1.05 0.00 0.00 178.15 177.35 3ikm h SER 799 N 0.84 -0.45 -0.96 2.16 0.02 -0.91 0.32 113.55 114.58 3ikm h SER 799 Ca 0.28 0.04 0.30 0.00 -0.84 0.00 0.00 61.79 61.57 3ikm h SER 799 Cb 0.03 0.15 -0.18 0.00 0.14 0.00 0.00 62.40 62.54 3ikm h SER 799 CO -0.11 -0.19 0.16 0.49 -1.14 0.00 0.00 176.83 176.04 3ikm n PHE 800 N -3.29 0.76 0.00 3.45 3.72 -1.23 -2.65 117.46 118.22 3ikm n PHE 800 Ca -0.03 1.15 0.00 0.00 -0.05 0.00 0.00 57.45 58.52 3ikm n PHE 800 Cb 0.14 -1.31 0.00 0.00 -0.94 0.00 0.00 39.48 37.36 3ikm n PHE 800 CO 0.00 0.00 0.00 1.87 -0.05 0.00 0.00 176.76 178.58 3ikm n TRP 801 N -5.35 0.00 0.00 1.38 -0.00 -0.76 -3.89 117.44 108.82 3ikm n TRP 801 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.77 3ikm n TRP 801 Cb 0.88 -0.20 0.00 0.00 -0.00 0.00 0.00 31.31 31.99 3ikm n TRP 801 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 177.69 180.58 3ikm n ARG 802 N -1.10 0.00 -0.10 5.87 1.85 0.11 0.33 116.66 123.61 3ikm n ARG 802 Ca 0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.72 3ikm n ARG 802 Cb 0.00 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.37 3ikm n ARG 802 CO 0.00 0.00 0.00 -0.91 -0.01 0.00 0.00 177.63 176.71 3ikm h ASN 803 N 0.00 0.81 -0.59 2.89 4.21 -1.74 -3.22 115.58 117.94 3ikm h ASN 803 Ca 0.00 -0.46 0.12 0.00 1.21 0.00 0.00 56.30 57.17 3ikm h ASN 803 Cb 0.00 -0.23 -0.11 0.00 -1.12 0.00 0.00 38.32 36.86 3ikm h ASN 803 CO 0.00 1.10 -0.17 0.00 -1.29 0.00 0.00 177.43 177.07 3ikm h ALA 804 N 0.73 0.33 -0.15 -0.83 0.00 0.53 -3.10 119.26 116.77 3ikm h ALA 804 Ca 0.05 0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.21 3ikm h ALA 804 Cb 0.86 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 3ikm h ALA 804 CO 0.07 -0.46 -0.24 1.25 0.00 0.00 0.00 179.25 179.87 3ikm h HIS 805 N -0.03 -0.74 -0.85 0.00 6.17 -1.54 0.39 115.15 118.56 3ikm h HIS 805 Ca 0.28 0.03 0.12 0.00 0.71 0.00 0.00 60.37 61.51 3ikm h HIS 805 Cb 0.46 0.34 -0.13 0.00 2.52 0.00 0.00 27.41 30.60 3ikm h HIS 805 CO -0.51 -0.22 -0.43 0.87 0.71 0.00 0.00 177.93 178.35 3ikm h LYS 806 N -0.19 -0.07 0.77 5.26 1.57 -1.69 6.58 116.57 128.80 3ikm h LYS 806 Ca 0.03 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3ikm h LYS 806 Cb 0.27 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 3ikm h LYS 806 CO -0.25 -0.05 -0.47 0.00 -0.57 0.00 0.00 179.45 178.11 3ikm h ARG 807 N -0.08 -1.12 -1.01 3.15 3.08 -1.50 -1.66 114.38 115.24 3ikm h ARG 807 Ca 0.26 0.08 0.27 0.00 0.07 0.00 0.00 59.98 60.65 3ikm h ARG 807 Cb 0.55 0.26 -0.13 0.00 0.08 0.00 0.00 29.97 30.73 3ikm h ARG 807 CO -0.87 -0.75 0.59 0.82 -1.07 0.00 0.00 179.97 178.69 3ikm h ILE 808 N -1.17 0.48 -3.60 2.04 2.04 0.39 -3.07 117.51 114.63 3ikm h ILE 808 Ca -0.10 -0.18 -0.73 0.00 1.00 0.00 0.00 64.86 64.85 3ikm h ILE 808 Cb 0.93 -0.08 -0.32 0.00 -0.74 0.00 0.00 36.82 36.61 3ikm h ILE 808 CO 0.11 0.09 -0.22 -0.94 0.00 0.00 0.00 178.15 177.19 3ikm s SER 809 N -5.13 5.79 0.00 1.72 1.04 2.09 -3.10 113.70 116.11 3ikm s SER 809 Ca -0.10 -2.67 0.00 0.00 0.48 0.00 0.00 55.95 53.66 3ikm s SER 809 Cb 0.28 -1.99 0.00 0.00 0.10 0.00 0.00 66.02 64.41 3ikm s SER 809 CO 0.80 -0.48 0.00 -1.54 0.98 0.00 0.00 173.24 172.99 3ikm n SER 810 N 3.85 0.00 -2.17 7.02 3.41 -1.22 -4.64 113.62 119.88 3ikm n SER 810 Ca 0.07 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.63 3ikm n SER 810 Cb 0.41 0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 3ikm n SER 810 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3ikm n GLN 811 N -1.06 -0.28 -2.05 4.33 7.27 -1.16 -4.79 117.38 119.63 3ikm n GLN 811 Ca 0.00 0.17 -0.37 0.00 0.07 0.00 0.00 57.00 56.86 3ikm n GLN 811 Cb 0.00 -0.35 0.01 0.00 2.41 0.00 0.00 30.24 32.32 3ikm n GLN 811 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3ikm s MET 812 N -1.61 3.43 -0.13 3.69 0.23 -1.26 -4.99 119.30 118.66 3ikm s MET 812 Ca 0.03 1.95 -0.07 0.00 -1.03 0.00 0.00 55.69 56.56 3ikm s MET 812 Cb -0.00 -2.29 0.05 0.00 -1.53 0.00 0.00 34.83 31.06 3ikm s MET 812 CO 0.15 -0.87 0.32 0.54 -2.03 0.00 0.00 175.02 173.13 3ikm s VAL 813 N -1.46 -0.03 0.58 5.16 0.11 -1.26 -4.18 120.40 119.31 3ikm s VAL 813 Ca 0.68 0.11 -0.03 0.00 -2.93 0.00 0.00 61.98 59.82 3ikm s VAL 813 Cb -0.33 -0.48 0.03 0.00 -1.53 0.00 0.00 36.38 34.06 3ikm s VAL 813 CO 0.39 0.05 0.84 0.68 -3.33 0.00 0.00 175.10 173.73 3ikm s VAL 814 N 1.23 3.09 0.08 2.04 -7.23 -0.74 -4.53 120.40 114.33 3ikm s VAL 814 Ca -0.09 -0.37 0.01 0.00 -1.81 0.00 0.00 61.98 59.73 3ikm s VAL 814 Cb -0.09 -3.21 -0.04 0.00 0.56 0.00 0.00 36.38 33.60 3ikm s VAL 814 CO -0.10 -0.18 -0.06 0.26 -0.31 0.00 0.00 175.10 174.71 3ikm s TRP 815 N -2.90 0.75 -0.47 2.82 0.52 -1.26 0.69 118.94 119.09 3ikm s TRP 815 Ca 0.55 -0.90 0.00 0.00 0.02 0.00 0.00 56.10 55.78 3ikm s TRP 815 Cb -0.10 -0.46 0.13 0.00 -1.15 0.00 0.00 33.47 31.88 3ikm s TRP 815 CO 0.42 -0.20 0.24 -0.51 0.02 0.00 0.00 176.95 176.91 3ikm s LEU 816 N -2.81 4.91 0.03 2.99 1.43 -1.26 -4.57 118.68 119.40 3ikm s LEU 816 Ca 0.07 -2.50 -0.21 0.00 -1.03 0.00 0.00 54.13 50.46 3ikm s LEU 816 Cb 0.04 -1.74 -0.11 0.00 0.03 0.00 0.00 46.19 44.40 3ikm s LEU 816 CO -0.05 -0.39 1.19 1.55 0.23 0.00 0.00 176.35 178.88 3ikm h PRO 817 N 7.32 -0.72 0.00 1.29 0.13 -1.97 -3.41 132.00 134.64 3ikm h PRO 817 Ca -0.07 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 3ikm h PRO 817 Cb 0.98 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3ikm h PRO 817 CO 0.66 -0.48 -0.27 -2.13 -0.23 0.00 0.00 178.00 175.55 3ikm n ARG 818 N -4.21 0.58 -1.14 0.86 3.00 -1.26 -4.87 116.66 109.61 3ikm n ARG 818 Ca -0.09 0.00 -0.18 0.00 -0.00 0.00 0.00 57.85 57.58 3ikm n ARG 818 Cb 0.29 -0.63 -0.13 0.00 0.00 0.00 0.00 32.46 31.99 3ikm n ARG 818 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3ikm n SER 819 N -1.30 5.82 -4.17 6.15 3.41 -1.26 -4.76 113.62 117.50 3ikm n SER 819 Ca 0.00 -2.64 -0.40 0.00 -0.26 0.00 0.00 58.87 55.57 3ikm n SER 819 Cb 0.13 -1.39 -0.07 0.00 -0.26 0.00 0.00 64.21 62.63 3ikm n SER 819 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ikm s ALA 820 N 0.52 3.88 0.71 7.33 0.00 -1.26 -5.07 121.76 127.87 3ikm s ALA 820 Ca 0.65 -3.40 -0.13 0.00 0.00 0.00 0.00 51.96 49.08 3ikm s ALA 820 Cb 0.32 -2.97 0.03 0.00 0.00 0.00 0.00 23.12 20.49 3ikm s ALA 820 CO -0.05 -2.17 1.11 -0.51 0.00 0.00 0.00 175.76 174.14 3ikm s LEU 821 N -0.26 3.24 0.51 0.00 2.01 -1.26 -4.59 118.68 118.34 3ikm s LEU 821 Ca 0.19 1.97 0.09 0.00 0.01 0.00 0.00 54.13 56.39 3ikm s LEU 821 Cb -0.15 -4.54 0.06 0.00 0.01 0.00 0.00 46.19 41.56 3ikm s LEU 821 CO -0.06 -1.87 0.70 -2.84 1.01 0.00 0.00 176.35 173.29 3ikm s PRO 822 N -4.38 2.50 0.10 1.29 0.02 -1.26 -4.84 135.00 128.43 3ikm s PRO 822 Ca 0.65 -1.50 -0.26 0.00 0.02 0.00 0.00 61.00 59.91 3ikm s PRO 822 Cb -0.20 -2.68 -0.11 0.00 0.02 0.00 0.00 34.50 31.53 3ikm s PRO 822 CO 0.47 -0.63 1.67 0.07 -0.33 0.00 0.00 177.00 178.25 3ikm h ARG 823 N 0.37 -0.38 0.00 5.54 -0.00 -1.98 0.31 114.38 118.24 3ikm h ARG 823 Ca -0.34 0.03 -0.02 0.00 -0.00 0.00 0.00 59.98 59.65 3ikm h ARG 823 Cb 1.29 0.09 -0.00 0.00 -0.00 0.00 0.00 29.97 31.34 3ikm h ARG 823 CO 0.43 -0.26 -0.08 0.00 -0.00 0.00 0.00 179.97 180.07 3ikm h ALA 824 N 0.38 1.11 0.36 0.08 0.00 -1.96 7.23 119.26 126.45 3ikm h ALA 824 Ca 0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3ikm h ALA 824 Cb 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3ikm h ALA 824 CO -0.06 0.10 -0.17 0.28 0.00 0.00 0.00 179.25 179.40 3ikm h VAL 825 N 0.00 0.60 0.10 0.00 2.07 -1.57 1.93 116.25 119.38 3ikm h VAL 825 Ca -0.00 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 3ikm h VAL 825 Cb 0.39 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3ikm h VAL 825 CO 0.01 0.10 -0.05 0.16 0.02 0.00 0.00 177.57 177.81 3ikm h ILE 826 N -0.82 1.12 -0.28 4.57 -2.65 0.12 -3.32 117.51 116.25 3ikm h ILE 826 Ca -0.05 -0.88 0.02 0.00 1.03 0.00 0.00 64.86 64.98 3ikm h ILE 826 Cb 0.53 1.67 -0.03 0.00 -2.05 0.00 0.00 36.82 36.94 3ikm h ILE 826 CO 0.08 0.21 -0.16 -2.11 0.03 0.00 0.00 178.15 176.20 3ikm n ARG 827 N -4.96 -0.12 -2.72 0.16 -4.01 2.31 -3.09 116.66 104.23 3ikm n ARG 827 Ca -0.09 1.02 -0.42 0.00 -1.04 0.00 0.00 57.85 57.32 3ikm n ARG 827 Cb 0.23 -1.52 -0.03 0.00 -3.04 0.00 0.00 32.46 28.10 3ikm n ARG 827 CO 0.00 0.00 0.00 -1.58 -3.04 0.00 0.00 177.63 173.01 3ikm s HIS 828 N -3.77 2.67 0.00 2.89 2.46 0.65 -4.90 115.29 115.30 3ikm s HIS 828 Ca -0.03 0.12 0.00 0.00 0.47 0.00 0.00 55.06 55.61 3ikm s HIS 828 Cb 0.03 -4.30 0.00 0.00 -0.13 0.00 0.00 32.58 28.18 3ikm s HIS 828 CO 0.17 -1.52 0.00 -0.35 -2.47 0.00 0.00 174.74 170.57 3ikm n PRO 829 N 8.02 0.00 -2.74 2.88 -0.04 -1.18 -4.71 135.00 137.23 3ikm n PRO 829 Ca 0.04 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.41 3ikm n PRO 829 Cb 0.48 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.03 3ikm n PRO 829 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3ikm n ASP 830 N -1.06 -1.20 -4.64 3.54 10.43 -1.26 -5.06 116.55 117.31 3ikm n ASP 830 Ca 0.00 -2.85 -0.35 0.00 2.57 0.00 0.00 54.79 54.17 3ikm n ASP 830 Cb 0.00 0.83 -0.10 0.00 1.84 0.00 0.00 41.12 43.69 3ikm n ASP 830 CO 0.00 0.00 0.00 -0.72 -1.07 0.00 0.00 177.20 175.41 3ikm s TYR 831 N -0.58 3.18 0.27 1.24 -0.85 -1.26 -5.02 117.35 114.32 3ikm s TYR 831 Ca 0.24 0.06 0.04 0.00 -0.52 0.00 0.00 57.07 56.90 3ikm s TYR 831 Cb 0.38 -1.92 0.37 0.00 0.38 0.00 0.00 41.96 41.17 3ikm s TYR 831 CO -0.06 0.28 1.66 -0.44 -1.52 0.00 0.00 175.55 175.47 3ikm h ASP 832 N 5.96 0.36 0.00 -0.18 3.32 -2.00 -3.46 116.42 120.42 3ikm h ASP 832 Ca -0.42 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.47 3ikm h ASP 832 Cb 1.19 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.64 3ikm h ASP 832 CO 0.61 0.73 0.00 -0.62 -1.72 0.00 0.00 179.24 178.25 3ikm n GLU 833 N -4.02 -0.18 -0.04 3.56 -0.58 -1.26 -4.65 120.64 113.47 3ikm n GLU 833 Ca -0.02 0.05 0.01 0.00 -0.42 0.00 0.00 57.16 56.78 3ikm n GLU 833 Cb 0.49 -3.19 0.03 0.00 -0.57 0.00 0.00 31.44 28.21 3ikm n GLU 833 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3ikm n GLU 834 N -1.99 2.58 -3.26 3.49 1.02 -1.26 -5.02 120.64 116.19 3ikm n GLU 834 Ca 0.00 -1.52 -0.20 0.00 -0.02 0.00 0.00 57.16 55.42 3ikm n GLU 834 Cb 0.05 -1.06 0.02 0.00 -0.02 0.00 0.00 31.44 30.43 3ikm n GLU 834 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3ikm s GLY 835 N -0.91 1.96 -0.10 0.62 0.00 -1.26 -5.09 107.32 102.54 3ikm s GLY 835 Ca 0.05 -1.84 0.03 0.00 0.00 0.00 0.00 44.72 42.96 3ikm s GLY 835 CO 0.04 -1.68 -0.19 1.08 0.00 0.00 0.00 173.10 172.35 3ikm s LEU 836 N -4.44 2.42 -0.08 0.66 1.43 -1.26 -4.98 118.68 112.43 3ikm s LEU 836 Ca 0.53 -0.41 0.12 0.00 -1.03 0.00 0.00 54.13 53.35 3ikm s LEU 836 Cb -0.06 -1.50 0.18 0.00 0.03 0.00 0.00 46.19 44.85 3ikm s LEU 836 CO 0.33 0.21 1.07 -1.22 0.23 0.00 0.00 176.35 176.97 3ikm n TYR 837 N 3.23 0.00 -1.66 0.29 0.53 -1.26 -2.26 117.16 116.03 3ikm n TYR 837 Ca -0.18 -0.70 -0.19 0.00 -1.02 0.00 0.00 57.90 55.81 3ikm n TYR 837 Cb 0.53 -0.11 0.13 0.00 -1.03 0.00 0.00 39.34 38.85 3ikm n TYR 837 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3ikm n GLY 838 N -0.98 -1.22 3.41 2.72 0.00 -1.24 -4.46 105.19 103.42 3ikm n GLY 838 Ca 0.10 -1.72 -0.10 0.00 0.00 0.00 0.00 46.02 44.30 3ikm n GLY 838 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ikm s ALA 839 N -3.91 -0.98 0.23 4.61 0.00 0.22 -1.91 121.76 120.00 3ikm s ALA 839 Ca 0.48 -0.08 -0.05 0.00 0.00 0.00 0.00 51.96 52.30 3ikm s ALA 839 Cb -0.01 0.79 -0.06 0.00 0.00 0.00 0.00 23.12 23.84 3ikm s ALA 839 CO 0.33 -0.73 0.48 0.42 0.00 0.00 0.00 175.76 176.27 3ikm s ILE 840 N -3.83 5.07 -0.11 0.00 1.01 -1.24 -1.80 121.20 120.29 3ikm s ILE 840 Ca 0.06 0.07 -0.04 0.00 0.00 0.00 0.00 60.65 60.75 3ikm s ILE 840 Cb 0.00 -3.68 0.06 0.00 0.01 0.00 0.00 42.46 38.85 3ikm s ILE 840 CO -0.08 -0.16 0.16 -0.76 0.00 0.00 0.00 174.94 174.10 3ikm s LEU 841 N -3.14 -0.02 -0.29 2.97 2.01 -1.26 -4.03 118.68 114.92 3ikm s LEU 841 Ca 0.43 0.10 -0.21 0.00 0.01 0.00 0.00 54.13 54.46 3ikm s LEU 841 Cb -0.11 0.20 -0.01 0.00 0.01 0.00 0.00 46.19 46.28 3ikm s LEU 841 CO 0.27 -0.27 0.68 -2.84 1.01 0.00 0.00 176.35 175.19 3ikm s PRO 842 N 2.27 4.00 -0.31 1.29 0.02 -1.26 -4.66 135.00 136.35 3ikm s PRO 842 Ca 0.04 0.48 -0.38 0.00 0.02 0.00 0.00 61.00 61.16 3ikm s PRO 842 Cb -0.13 -3.70 -0.14 0.00 0.02 0.00 0.00 34.50 30.55 3ikm s PRO 842 CO -0.07 -0.54 1.95 0.00 -0.33 0.00 0.00 177.00 178.01 3ikm n GLN 843 N 5.91 1.12 -3.82 5.54 10.64 -1.26 -4.86 117.38 130.65 3ikm n GLN 843 Ca 0.01 0.37 -0.36 0.00 -1.83 0.00 0.00 57.00 55.19 3ikm n GLN 843 Cb 0.49 -2.23 -0.13 0.00 -0.86 0.00 0.00 30.24 27.50 3ikm n GLN 843 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 3ikm s VAL 844 N 5.17 3.48 -0.11 -0.39 1.01 -1.26 -4.32 120.40 123.97 3ikm s VAL 844 Ca 1.04 -1.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.62 3ikm s VAL 844 Cb -1.00 -2.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 3ikm s VAL 844 CO 0.59 -0.06 1.16 -0.69 0.00 0.00 0.00 175.10 176.09 3ikm s VAL 845 N 1.37 4.42 0.85 2.92 1.01 -1.24 -4.37 120.40 125.36 3ikm s VAL 845 Ca -0.02 1.72 -0.11 0.00 0.00 0.00 0.00 61.98 63.58 3ikm s VAL 845 Cb -0.19 -4.11 0.10 0.00 0.00 0.00 0.00 36.38 32.19 3ikm s VAL 845 CO 0.01 -0.05 1.10 0.42 0.00 0.00 0.00 175.10 176.57 3ikm s THR 846 N 2.58 2.85 0.00 3.92 -4.23 -1.26 -3.96 115.64 115.54 3ikm s THR 846 Ca 0.53 0.28 0.00 0.00 -1.18 0.00 0.00 61.69 61.31 3ikm s THR 846 Cb -0.22 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 70.97 3ikm s THR 846 CO 0.18 -0.36 0.00 0.00 -0.54 0.00 0.00 174.62 173.89 3ikm n ALA 847 N -3.82 0.00 -3.66 3.99 0.00 -0.99 -4.43 120.51 111.60 3ikm n ALA 847 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.28 3ikm n ALA 847 Cb 0.53 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.05 3ikm n ALA 847 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ikm n GLY 848 N 0.00 -0.51 3.58 0.00 0.00 -1.26 -3.88 105.19 103.11 3ikm n GLY 848 Ca 0.00 0.23 -0.05 0.00 0.00 0.00 0.00 46.02 46.20 3ikm n GLY 848 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ikm s THR 849 N -3.33 0.00 0.35 2.61 2.01 -1.26 -4.56 115.64 111.46 3ikm s THR 849 Ca 0.54 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.59 3ikm s THR 849 Cb -0.25 -1.00 0.19 0.00 0.01 0.00 0.00 72.50 71.45 3ikm s THR 849 CO 0.76 0.00 1.92 0.16 -0.69 0.00 0.00 174.62 176.77 3ikm h ILE 850 N 2.03 1.18 0.00 1.82 -2.65 -1.91 -2.43 117.51 115.54 3ikm h ILE 850 Ca -0.11 -0.62 0.00 0.00 1.03 0.00 0.00 64.86 65.15 3ikm h ILE 850 Cb 1.18 0.77 0.00 0.00 -2.05 0.00 0.00 36.82 36.72 3ikm h ILE 850 CO 0.24 0.23 -0.58 0.74 0.03 0.00 0.00 178.15 178.81 3ikm h THR 851 N 0.57 0.00 0.00 0.16 2.02 -1.92 -3.44 112.91 110.29 3ikm h THR 851 Ca 0.13 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.78 3ikm h THR 851 Cb 0.21 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 3ikm h THR 851 CO -0.00 0.00 0.00 0.54 0.37 0.00 0.00 175.52 176.43 3ikm n ARG 852 N -2.18 0.00 0.00 6.66 1.74 -0.91 -4.72 116.66 117.24 3ikm n ARG 852 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 3ikm n ARG 852 Cb 0.45 -2.61 0.00 0.00 -1.02 0.00 0.00 32.46 29.28 3ikm n ARG 852 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3ikm n ARG 853 N -2.00 0.00 -3.74 5.56 3.00 -1.25 -2.33 116.66 115.90 3ikm n ARG 853 Ca 0.00 0.65 -0.03 0.00 -0.00 0.00 0.00 57.85 58.48 3ikm n ARG 853 Cb 0.00 -1.04 -0.01 0.00 0.00 0.00 0.00 32.46 31.41 3ikm n ARG 853 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3ikm s ALA 854 N -3.31 -1.75 -0.50 5.13 0.00 -1.26 -4.84 121.76 115.24 3ikm s ALA 854 Ca 0.00 0.20 0.06 0.00 0.00 0.00 0.00 51.96 52.22 3ikm s ALA 854 Cb 0.00 0.60 0.22 0.00 0.00 0.00 0.00 23.12 23.94 3ikm s ALA 854 CO 0.00 -1.05 0.83 0.28 0.00 0.00 0.00 175.76 175.82 3ikm n VAL 855 N -0.48 -0.01 -3.56 0.00 0.31 -1.25 -4.72 118.33 108.61 3ikm n VAL 855 Ca -0.06 -1.36 -0.26 0.00 -0.01 0.00 0.00 64.34 62.65 3ikm n VAL 855 Cb 0.61 1.28 -0.15 0.00 -0.91 0.00 0.00 33.84 34.67 3ikm n VAL 855 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3ikm s GLU 856 N 0.74 0.14 0.17 5.55 2.02 -1.26 -3.70 118.70 122.36 3ikm s GLU 856 Ca 0.31 -0.21 -0.14 0.00 0.02 0.00 0.00 54.97 54.95 3ikm s GLU 856 Cb 0.15 -1.45 0.11 0.00 0.10 0.00 0.00 34.13 33.04 3ikm s GLU 856 CO -0.18 -0.81 1.76 -1.35 0.02 0.00 0.00 175.26 174.70 3ikm h PRO 857 N 8.39 0.36 0.05 0.39 0.11 -1.95 -2.53 132.00 136.83 3ikm h PRO 857 Ca -0.17 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.92 3ikm h PRO 857 Cb 1.10 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3ikm h PRO 857 CO 0.34 0.24 -0.03 1.15 -0.21 0.00 0.00 178.00 179.50 3ikm h THR 858 N 0.38 1.29 0.00 -1.15 2.02 -1.95 -3.36 112.91 110.13 3ikm h THR 858 Ca 0.20 -1.49 -0.27 0.00 0.77 0.00 0.00 66.41 65.62 3ikm h THR 858 Cb 0.16 2.21 -0.05 0.00 -1.74 0.00 0.00 68.15 68.74 3ikm h THR 858 CO -0.18 0.35 -1.94 0.79 0.37 0.00 0.00 175.52 174.92 3ikm n TRP 859 N -4.80 0.53 0.50 3.16 7.02 -1.21 -4.23 117.44 118.41 3ikm n TRP 859 Ca -0.08 0.19 0.12 0.00 -1.02 0.00 0.00 57.50 56.71 3ikm n TRP 859 Cb 0.31 -1.04 0.27 0.00 -2.42 0.00 0.00 31.31 28.43 3ikm n TRP 859 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 3ikm h LEU 860 N 0.00 0.00 -7.78 -0.99 3.38 -1.69 -3.34 115.31 104.88 3ikm h LEU 860 Ca -0.34 -0.06 -0.77 0.00 0.09 0.00 0.00 57.88 56.79 3ikm h LEU 860 Cb 1.94 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 42.41 3ikm h LEU 860 CO 0.05 0.03 0.00 -0.89 0.09 0.00 0.00 178.44 177.72 3ikm s THR 861 N -3.16 5.22 0.38 0.22 2.01 -1.19 -4.00 115.64 115.12 3ikm s THR 861 Ca 0.08 -2.57 0.04 0.00 0.31 0.00 0.00 61.69 59.55 3ikm s THR 861 Cb 0.11 -4.25 -0.06 0.00 0.01 0.00 0.00 72.50 68.31 3ikm s THR 861 CO 0.66 -1.00 0.05 0.00 -0.69 0.00 0.00 174.62 173.64 3ikm s ALA 862 N 0.12 2.81 0.28 7.40 0.00 -1.26 -4.77 121.76 126.35 3ikm s ALA 862 Ca 0.18 -1.88 -0.21 0.00 0.00 0.00 0.00 51.96 50.05 3ikm s ALA 862 Cb -0.12 0.48 0.04 0.00 0.00 0.00 0.00 23.12 23.51 3ikm s ALA 862 CO -0.08 -0.23 0.78 -1.12 0.00 0.00 0.00 175.76 175.11 3ikm s SER 863 N -3.60 -0.18 0.00 0.00 0.01 -1.26 -5.04 113.70 103.62 3ikm s SER 863 Ca 0.32 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.89 3ikm s SER 863 Cb 0.08 0.71 0.00 0.00 0.21 0.00 0.00 66.02 67.02 3ikm s SER 863 CO 0.15 -1.34 0.00 0.59 0.41 0.00 0.00 173.24 173.05 3ikm n ASN 864 N -0.69 0.00 -2.66 2.44 4.13 -1.26 -4.54 115.26 112.68 3ikm n ASN 864 Ca -0.05 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 55.85 3ikm n ASN 864 Cb 0.59 0.00 0.04 0.00 -1.54 0.00 0.00 39.78 38.88 3ikm n ASN 864 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ikm n ALA 865 N -3.00 6.17 -0.49 5.41 0.00 0.00 -4.39 120.51 124.22 3ikm n ALA 865 Ca 0.00 -3.98 0.00 0.00 0.00 0.00 0.00 53.44 49.46 3ikm n ALA 865 Cb 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 17.83 3ikm n ALA 865 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3ikm n ARG 866 N -0.63 0.00 0.27 0.00 0.00 -1.26 -3.80 116.66 111.24 3ikm n ARG 866 Ca 0.53 0.31 0.10 0.00 -0.00 0.00 0.00 57.85 58.80 3ikm n ARG 866 Cb 0.44 -1.25 0.73 0.00 0.00 0.00 0.00 32.46 32.37 3ikm n ARG 866 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 3ikm h PRO 867 N 0.00 0.00 0.00 -0.14 0.11 -1.97 -3.49 132.00 126.51 3ikm h PRO 867 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3ikm h PRO 867 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3ikm h PRO 867 CO 0.00 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.54 3ikm n ASP 868 N -4.32 0.00 0.00 -2.05 8.00 -1.25 -4.73 116.55 112.21 3ikm n ASP 868 Ca -0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.47 3ikm n ASP 868 Cb 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 3ikm n ASP 868 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3ikm n ARG 869 N 1.86 0.00 0.09 -1.24 1.74 -1.26 -4.59 116.66 113.26 3ikm n ARG 869 Ca 0.00 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.94 3ikm n ARG 869 Cb 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.33 3ikm n ARG 869 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 3ikm h VAL 870 N 0.00 1.52 0.00 1.55 3.04 -1.91 -3.33 116.25 117.12 3ikm h VAL 870 Ca 0.00 -3.00 -0.16 0.00 -1.01 0.00 0.00 66.70 62.53 3ikm h VAL 870 Cb 0.00 2.82 -0.02 0.00 -2.01 0.00 0.00 31.29 32.08 3ikm h VAL 870 CO 0.00 0.87 -0.77 1.23 -1.01 0.00 0.00 177.57 177.89 3ikm h GLY 871 N 1.77 0.00 0.02 3.17 0.00 -1.92 -1.50 103.07 104.61 3ikm h GLY 871 Ca -0.10 0.00 0.21 0.00 0.00 0.00 0.00 47.33 47.44 3ikm h GLY 871 CO 0.18 0.00 0.59 1.48 0.00 0.00 0.00 176.54 178.79 3ikm h SER 872 N 0.00 0.72 0.63 0.19 4.64 -1.77 -2.76 113.55 115.20 3ikm h SER 872 Ca -0.01 0.11 -0.24 0.00 -0.47 0.00 0.00 61.79 61.19 3ikm h SER 872 Cb 1.43 -0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 63.47 3ikm h SER 872 CO 0.10 0.20 -1.52 1.05 -0.87 0.00 0.00 176.83 175.79 3ikm h GLU 873 N 0.68 0.00 -0.68 4.77 4.11 -1.65 0.05 114.58 121.86 3ikm h GLU 873 Ca 0.60 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.03 3ikm h GLU 873 Cb 1.02 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 3ikm h GLU 873 CO -0.42 0.46 0.43 -0.07 0.07 0.00 0.00 179.01 179.48 3ikm h LEU 874 N 0.00 0.80 -0.18 3.06 4.07 -0.96 -2.43 115.31 119.66 3ikm h LEU 874 Ca -0.22 -0.04 0.05 0.00 0.08 0.00 0.00 57.88 57.75 3ikm h LEU 874 Cb 1.84 -0.20 -0.07 0.00 1.08 0.00 0.00 40.66 43.30 3ikm h LEU 874 CO 0.07 0.60 -0.38 0.07 -1.08 0.00 0.00 178.44 177.72 3ikm h LYS 875 N 0.92 -0.41 0.00 1.13 2.10 -1.80 0.28 116.57 118.80 3ikm h LYS 875 Ca 0.25 0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.92 3ikm h LYS 875 Cb -0.07 0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 3ikm h LYS 875 CO -0.05 -0.27 0.00 0.00 -2.00 0.00 0.00 179.45 177.13 3ikm n ALA 876 N -2.92 -0.06 0.21 0.07 0.00 -0.54 -3.01 120.51 114.25 3ikm n ALA 876 Ca -0.03 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.46 3ikm n ALA 876 Cb 0.35 0.05 0.08 0.00 0.00 0.00 0.00 19.45 19.92 3ikm n ALA 876 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3ikm n MET 877 N -0.79 0.02 0.23 0.00 2.81 -0.92 0.58 117.12 119.05 3ikm n MET 877 Ca 0.00 0.88 0.12 0.00 -1.81 0.00 0.00 57.70 56.90 3ikm n MET 877 Cb 0.00 -2.35 0.23 0.00 -0.71 0.00 0.00 33.22 30.39 3ikm n MET 877 CO 0.00 0.00 0.00 -0.39 1.51 0.00 0.00 175.97 177.09 3ikm h VAL 878 N 0.00 0.02 -2.06 2.03 -1.51 -0.35 -3.40 116.25 110.99 3ikm h VAL 878 Ca 0.09 -0.96 0.17 0.00 -1.23 0.00 0.00 66.70 64.76 3ikm h VAL 878 Cb 2.00 1.95 -0.15 0.00 -2.13 0.00 0.00 31.29 32.96 3ikm h VAL 878 CO -0.00 0.01 0.59 0.00 -1.23 0.00 0.00 177.57 176.93 3ikm s GLN 879 N -3.26 0.73 0.00 5.19 1.03 0.20 -4.42 119.66 119.12 3ikm s GLN 879 Ca 0.06 -0.31 0.00 0.00 0.04 0.00 0.00 55.36 55.16 3ikm s GLN 879 Cb 0.06 0.31 0.00 0.00 0.03 0.00 0.00 33.01 33.41 3ikm s GLN 879 CO 0.66 -0.32 0.00 0.00 -2.54 0.00 0.00 175.29 173.08 3ikm n ALA 880 N -0.26 0.00 -2.76 2.60 0.00 0.11 -4.31 120.51 115.89 3ikm n ALA 880 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.99 3ikm n ALA 880 Cb 0.61 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.95 3ikm n ALA 880 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ikm s PRO 881 N 0.00 3.55 -0.13 0.00 0.04 -1.26 -4.55 135.00 132.65 3ikm s PRO 881 Ca 0.00 -0.58 -0.16 0.00 0.04 0.00 0.00 61.00 60.30 3ikm s PRO 881 Cb 0.00 -3.61 -0.07 0.00 0.04 0.00 0.00 34.50 30.86 3ikm s PRO 881 CO 0.00 -0.34 0.52 -0.35 0.04 0.00 0.00 177.00 176.87 3ikm n PRO 882 N 5.02 0.00 -0.98 0.56 -0.04 -1.26 -1.89 135.00 136.41 3ikm n PRO 882 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 3ikm n PRO 882 Cb 0.50 -0.53 0.00 0.00 -0.04 0.00 0.00 33.50 33.44 3ikm n PRO 882 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ikm n GLY 883 N 1.19 0.66 3.04 0.55 0.00 -1.26 -4.95 105.19 104.41 3ikm n GLY 883 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 3ikm n GLY 883 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ikm s TYR 884 N -2.74 1.98 0.47 1.61 1.51 -0.79 -1.34 117.35 118.04 3ikm s TYR 884 Ca 0.00 -0.98 0.06 0.00 -1.01 0.00 0.00 57.07 55.14 3ikm s TYR 884 Cb 0.00 -1.45 -0.01 0.00 -0.11 0.00 0.00 41.96 40.40 3ikm s TYR 884 CO 0.00 -0.52 0.32 0.99 -1.11 0.00 0.00 175.55 175.22 3ikm s THR 885 N 1.15 2.11 -0.23 -0.71 2.01 -0.86 -4.43 115.64 114.68 3ikm s THR 885 Ca -0.03 -1.52 0.00 0.00 0.31 0.00 0.00 61.69 60.45 3ikm s THR 885 Cb -0.14 -2.64 0.06 0.00 0.01 0.00 0.00 72.50 69.79 3ikm s THR 885 CO -0.04 0.00 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.09 3ikm s LEU 886 N -4.12 2.38 -0.28 4.42 1.43 0.73 -1.70 118.68 121.55 3ikm s LEU 886 Ca 0.39 -1.14 -0.21 0.00 -1.03 0.00 0.00 54.13 52.15 3ikm s LEU 886 Cb -0.01 -1.10 -0.01 0.00 0.03 0.00 0.00 46.19 45.11 3ikm s LEU 886 CO 0.23 -0.25 0.66 -0.69 0.23 0.00 0.00 176.35 176.53 3ikm s VAL 887 N 1.46 4.94 0.13 -1.59 1.01 0.55 -2.48 120.40 124.41 3ikm s VAL 887 Ca -0.05 1.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.95 3ikm s VAL 887 Cb -0.19 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.21 3ikm s VAL 887 CO -0.07 -0.08 0.21 0.61 0.00 0.00 0.00 175.10 175.78 3ikm n GLY 888 N 4.25 2.34 3.64 4.51 0.00 -0.39 0.62 105.19 120.16 3ikm n GLY 888 Ca -0.00 -1.32 -0.02 0.00 0.00 0.00 0.00 46.02 44.68 3ikm n GLY 888 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ikm s ALA 889 N -1.74 -2.16 0.80 4.61 0.00 -0.98 -1.91 121.76 120.38 3ikm s ALA 889 Ca 0.08 1.89 -0.08 0.00 0.00 0.00 0.00 51.96 53.85 3ikm s ALA 889 Cb -0.01 -0.80 0.12 0.00 0.00 0.00 0.00 23.12 22.43 3ikm s ALA 889 CO 0.06 -0.43 0.28 -0.25 0.00 0.00 0.00 175.76 175.41 3ikm n ASP 890 N 0.18 -2.55 0.00 0.00 8.00 -1.26 -4.05 116.55 116.87 3ikm n ASP 890 Ca 0.03 -0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.25 3ikm n ASP 890 Cb 0.57 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 3ikm n ASP 890 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3ikm n VAL 891 N -3.83 0.00 -0.00 2.53 3.14 -1.25 -4.87 118.33 114.04 3ikm n VAL 891 Ca 0.04 0.00 -0.18 0.00 -2.96 0.00 0.00 64.34 61.24 3ikm n VAL 891 Cb 0.19 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 32.89 3ikm n VAL 891 CO 0.00 0.00 0.00 -2.24 -6.46 0.00 0.00 176.83 168.13 3ikm h ASP 892 N 0.00 0.93 -0.11 6.55 -0.00 -1.93 -2.02 116.42 119.84 3ikm h ASP 892 Ca 0.00 -0.65 0.04 0.00 -0.00 0.00 0.00 57.03 56.42 3ikm h ASP 892 Cb 0.08 -0.28 -0.05 0.00 -0.00 0.00 0.00 39.33 39.09 3ikm h ASP 892 CO 0.00 1.45 -0.17 0.77 -0.00 0.00 0.00 179.24 181.29 3ikm h SER 893 N 0.49 -0.52 0.74 4.15 4.64 -1.99 0.24 113.55 121.30 3ikm h SER 893 Ca -0.08 0.09 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 3ikm h SER 893 Cb 1.50 0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 63.82 3ikm h SER 893 CO 0.17 -0.22 -0.49 0.06 -0.87 0.00 0.00 176.83 175.48 3ikm h GLN 894 N -0.22 -1.12 -0.98 4.77 -0.00 -1.92 -0.82 115.11 114.82 3ikm h GLN 894 Ca 0.09 0.08 0.32 0.00 -0.00 0.00 0.00 58.65 59.14 3ikm h GLN 894 Cb 0.35 0.26 -0.16 0.00 -0.00 0.00 0.00 27.48 27.93 3ikm h GLN 894 CO -0.24 -0.75 0.46 1.49 -0.00 0.00 0.00 178.83 179.79 3ikm h GLU 895 N -1.17 0.21 -0.23 0.06 4.22 -0.93 0.76 114.58 117.51 3ikm h GLU 895 Ca -0.10 -0.01 -0.15 0.00 0.08 0.00 0.00 59.36 59.18 3ikm h GLU 895 Cb 0.95 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.15 3ikm h GLU 895 CO 0.07 0.14 -0.43 -0.07 -2.18 0.00 0.00 179.01 176.54 3ikm h LEU 896 N 0.22 0.77 -2.57 1.64 -0.00 -0.54 -3.00 115.31 111.83 3ikm h LEU 896 Ca 0.71 -0.54 -0.00 0.00 -0.00 0.00 0.00 57.88 58.05 3ikm h LEU 896 Cb 1.65 -0.22 -0.00 0.00 -0.00 0.00 0.00 40.66 42.09 3ikm h LEU 896 CO -0.67 1.17 -0.00 -0.25 -0.00 0.00 0.00 178.44 178.69 3ikm h TRP 897 N 0.40 0.00 0.39 1.13 7.01 0.60 -2.57 115.95 122.92 3ikm h TRP 897 Ca 0.01 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 60.99 3ikm h TRP 897 Cb 1.04 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.10 3ikm h TRP 897 CO 0.08 0.00 -0.19 -0.84 -2.79 0.00 0.00 178.44 174.71 3ikm h ILE 898 N 0.00 0.52 -0.79 2.65 3.07 -1.23 -0.92 117.51 120.81 3ikm h ILE 898 Ca -0.00 -0.54 0.11 0.00 1.55 0.00 0.00 64.86 65.98 3ikm h ILE 898 Cb 0.01 0.75 -0.08 0.00 -0.27 0.00 0.00 36.82 37.23 3ikm h ILE 898 CO 0.00 0.09 0.42 0.00 -1.05 0.00 0.00 178.15 177.60 3ikm h ALA 899 N -0.47 1.13 0.09 0.16 0.00 -1.57 0.88 119.26 119.48 3ikm h ALA 899 Ca -0.05 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ikm h ALA 899 Cb 0.55 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3ikm h ALA 899 CO 0.09 -0.01 -0.07 0.00 0.00 0.00 0.00 179.25 179.26 3ikm h ALA 900 N 1.48 -0.87 -0.89 0.00 0.00 -1.41 -3.11 119.26 114.46 3ikm h ALA 900 Ca 0.40 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.41 3ikm h ALA 900 Cb 0.45 0.26 -0.09 0.00 0.00 0.00 0.00 17.79 18.41 3ikm h ALA 900 CO -0.29 -0.87 0.50 -0.39 0.00 0.00 0.00 179.25 178.20 3ikm h VAL 901 N -0.15 0.82 0.00 0.00 -1.51 -0.86 -2.50 116.25 112.04 3ikm h VAL 901 Ca -0.01 -0.26 0.00 0.00 -1.23 0.00 0.00 66.70 65.20 3ikm h VAL 901 Cb 0.13 -0.01 0.00 0.00 -2.13 0.00 0.00 31.29 29.28 3ikm h VAL 901 CO 0.00 0.14 0.00 -0.11 -1.23 0.00 0.00 177.57 176.37 3ikm n LEU 902 N -4.78 0.00 0.00 4.19 7.94 0.28 0.78 117.00 125.41 3ikm n LEU 902 Ca 0.17 0.68 0.00 0.00 -1.11 0.00 0.00 56.01 55.75 3ikm n LEU 902 Cb 0.39 -0.30 0.00 0.00 0.53 0.00 0.00 43.42 44.03 3ikm n LEU 902 CO 0.24 -0.30 0.35 0.61 -1.11 0.00 0.00 177.39 177.18 3ikm n GLY 903 N -0.98 -3.05 0.26 -3.96 0.00 -0.95 -2.31 105.19 94.20 3ikm n GLY 903 Ca 0.00 0.30 0.26 0.00 0.00 0.00 0.00 46.02 46.57 3ikm n GLY 903 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ikm n ASP 904 N -1.42 0.26 -0.20 1.61 8.00 -1.10 0.29 116.55 123.98 3ikm n ASP 904 Ca 0.00 1.25 0.00 0.00 0.71 0.00 0.00 54.79 56.76 3ikm n ASP 904 Cb 0.00 -0.61 0.09 0.00 -0.02 0.00 0.00 41.12 40.58 3ikm n ASP 904 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ikm h ALA 905 N 1.50 0.55 0.00 2.24 0.00 0.78 -2.49 119.26 121.84 3ikm h ALA 905 Ca 0.66 0.21 -0.13 0.00 0.00 0.00 0.00 54.91 55.65 3ikm h ALA 905 Cb 1.80 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 19.94 3ikm h ALA 905 CO -0.56 -0.41 -0.60 1.25 0.00 0.00 0.00 179.25 178.92 3ikm h HIS 906 N 0.08 0.00 -3.64 0.00 2.76 0.43 -3.42 115.15 111.36 3ikm h HIS 906 Ca 0.32 0.00 -0.70 0.00 -2.20 0.00 0.00 60.37 57.79 3ikm h HIS 906 Cb 0.51 0.00 -0.31 0.00 1.55 0.00 0.00 27.41 29.16 3ikm h HIS 906 CO -0.41 0.60 -0.60 -0.59 -1.30 0.00 0.00 177.93 175.64 3ikm s PHE 907 N -3.37 3.33 0.00 5.26 -0.71 -0.94 -5.02 117.98 116.53 3ikm s PHE 907 Ca 0.00 -1.73 0.00 0.00 -1.04 0.00 0.00 56.93 54.16 3ikm s PHE 907 Cb 0.11 -2.50 0.00 0.00 -1.21 0.00 0.00 43.02 39.42 3ikm s PHE 907 CO 0.75 -0.81 0.00 0.00 -1.34 0.00 0.00 175.22 173.82 3ikm n ALA 908 N 4.74 0.00 -1.76 1.99 0.00 -1.26 -4.74 120.51 119.47 3ikm n ALA 908 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.92 3ikm n ALA 908 Cb 0.43 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.87 3ikm n ALA 908 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3ikm s GLY 909 N -0.59 1.95 0.46 0.00 0.00 -1.26 -4.78 107.32 103.10 3ikm s GLY 909 Ca 0.00 1.57 0.14 0.00 0.00 0.00 0.00 44.72 46.43 3ikm s GLY 909 CO 0.00 2.61 2.03 1.98 0.00 0.00 0.00 173.10 179.72 3ikm h MET 910 N 5.23 0.31 -0.71 2.90 4.05 -1.84 1.61 114.93 126.48 3ikm h MET 910 Ca -0.46 -0.02 0.04 0.00 -0.28 0.00 0.00 59.70 58.98 3ikm h MET 910 Cb 1.22 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.91 3ikm h MET 910 CO 0.82 0.21 0.47 0.45 0.23 0.00 0.00 176.91 179.09 3ikm h HIS 911 N 0.32 0.81 0.00 1.39 3.86 -1.91 -3.38 115.15 116.24 3ikm h HIS 911 Ca 0.20 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.43 3ikm h HIS 911 Cb 0.36 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.56 3ikm h HIS 911 CO -0.00 0.47 0.00 0.41 0.86 0.00 0.00 177.93 179.66 3ikm n GLY 912 N -1.44 2.37 0.00 2.45 0.00 0.55 -1.75 105.19 107.37 3ikm n GLY 912 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3ikm n GLY 912 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ikm h THR 914 N 0.00 1.03 0.00 0.00 2.02 -1.87 1.20 112.91 115.29 3ikm h THR 914 Ca 0.00 -2.61 0.00 0.00 0.77 0.00 0.00 66.41 64.57 3ikm h THR 914 Cb 0.00 2.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.87 3ikm h THR 914 CO 0.00 0.58 0.00 0.00 0.37 0.00 0.00 175.52 176.47 3ikm n ALA 915 N -2.36 -0.08 0.04 6.16 0.00 -1.26 -1.84 120.51 121.16 3ikm n ALA 915 Ca -0.05 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.33 3ikm n ALA 915 Cb 0.88 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 20.22 3ikm n ALA 915 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3ikm h PHE 916 N 0.00 0.00 -0.64 0.00 3.04 -1.75 0.44 116.94 118.04 3ikm h PHE 916 Ca 0.00 0.00 -0.08 0.00 3.98 0.00 0.00 57.97 61.87 3ikm h PHE 916 Cb 0.00 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.48 3ikm h PHE 916 CO 0.04 0.92 0.10 0.78 -2.02 0.00 0.00 178.31 178.13 3ikm h GLY 917 N 3.27 1.13 0.53 2.40 0.00 -0.08 8.78 103.07 119.09 3ikm h GLY 917 Ca -0.11 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 46.47 3ikm h GLY 917 CO 0.10 0.69 -0.01 -0.25 0.00 0.00 0.00 176.54 177.06 3ikm h TRP 918 N 0.98 0.04 0.00 5.60 -0.00 0.21 0.45 115.95 123.24 3ikm h TRP 918 Ca 0.20 -0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.07 3ikm h TRP 918 Cb 0.43 -0.01 0.00 0.00 -0.00 0.00 0.00 29.16 29.58 3ikm h TRP 918 CO 0.03 0.52 0.00 0.52 -0.00 0.00 0.00 178.44 179.51 3ikm h MET 919 N -0.45 0.00 0.00 2.65 2.86 0.25 -3.45 114.93 116.79 3ikm h MET 919 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3ikm h MET 919 Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 3ikm h MET 919 CO 0.00 0.00 0.00 -2.37 1.06 0.00 0.00 176.91 175.60 3ikm n THR 920 N -2.65 0.00 0.11 2.22 5.66 2.79 -3.00 114.28 119.42 3ikm n THR 920 Ca -0.02 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.87 3ikm n THR 920 Cb 0.09 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 68.79 3ikm n THR 920 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 3ikm h LEU 921 N 0.00 -0.29 -5.53 1.09 4.07 -1.78 -3.42 115.31 109.45 3ikm h LEU 921 Ca 0.00 -0.24 -0.40 0.00 0.08 0.00 0.00 57.88 57.31 3ikm h LEU 921 Cb 0.00 0.07 0.08 0.00 1.08 0.00 0.00 40.66 41.89 3ikm h LEU 921 CO 0.00 0.17 -0.40 1.67 -1.08 0.00 0.00 178.44 178.80 3ikm n GLN 922 N -5.04 0.00 0.00 1.13 0.00 -1.16 -5.00 117.38 107.31 3ikm n GLN 922 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.91 3ikm n GLN 922 Cb 0.26 -0.61 0.00 0.00 0.00 0.00 0.00 30.24 29.89 3ikm n GLN 922 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3ikm n GLY 923 N 1.29 0.00 3.45 1.69 0.00 -1.26 -4.76 105.19 105.60 3ikm n GLY 923 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 3ikm n GLY 923 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ikm n ARG 924 N -2.00 -1.90 0.00 1.61 1.74 -1.26 -3.32 116.66 111.53 3ikm n ARG 924 Ca 0.00 1.40 0.00 0.00 -0.77 0.00 0.00 57.85 58.48 3ikm n ARG 924 Cb 0.12 -2.77 0.00 0.00 -1.02 0.00 0.00 32.46 28.79 3ikm n ARG 924 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 3ikm n LYS 925 N -0.74 0.00 -2.34 5.56 2.85 -1.26 -4.32 118.16 117.92 3ikm n LYS 925 Ca -0.10 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.02 3ikm n LYS 925 Cb 0.65 -1.65 0.03 0.00 -0.65 0.00 0.00 35.03 33.41 3ikm n LYS 925 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 3ikm n SER 926 N 0.00 3.53 -0.12 -5.58 7.64 -1.25 -5.09 113.62 112.74 3ikm n SER 926 Ca 0.00 -3.04 0.00 0.00 1.01 0.00 0.00 58.87 56.84 3ikm n SER 926 Cb 0.00 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 3ikm n SER 926 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3ikm n ARG 927 N -0.66 0.00 0.00 1.43 0.63 -1.21 -0.52 116.66 116.33 3ikm n ARG 927 Ca 0.29 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.35 3ikm n ARG 927 Cb 0.90 0.00 0.48 0.00 0.45 0.00 0.00 32.46 34.29 3ikm n ARG 927 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3ikm n GLY 928 N 0.00 -1.30 0.20 5.14 0.00 -1.25 -2.95 105.19 105.03 3ikm n GLY 928 Ca 0.00 -0.22 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 3ikm n GLY 928 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ikm h THR 929 N 0.11 1.34 0.00 2.61 1.03 -1.87 -1.74 112.91 114.40 3ikm h THR 929 Ca 0.00 -1.96 -0.02 0.00 -0.01 0.00 0.00 66.41 64.41 3ikm h THR 929 Cb 0.47 1.94 -0.00 0.00 -1.07 0.00 0.00 68.15 69.49 3ikm h THR 929 CO 0.00 0.60 -0.11 -0.78 -0.01 0.00 0.00 175.52 175.22 3ikm h ASP 930 N 0.36 0.00 0.66 0.00 -0.00 -0.69 0.04 116.42 116.79 3ikm h ASP 930 Ca -0.01 0.00 -0.13 0.00 -0.00 0.00 0.00 57.03 56.88 3ikm h ASP 930 Cb 1.21 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 40.51 3ikm h ASP 930 CO 0.12 0.11 -1.44 0.18 -0.00 0.00 0.00 179.24 178.21 3ikm n LEU 931 N -3.91 0.74 0.09 2.28 4.77 -0.97 -0.51 117.00 119.50 3ikm n LEU 931 Ca -0.02 0.31 -0.22 0.00 -0.03 0.00 0.00 56.01 56.05 3ikm n LEU 931 Cb 0.21 0.07 -0.13 0.00 -2.33 0.00 0.00 43.42 41.23 3ikm n LEU 931 CO 0.32 0.09 -0.07 1.12 -1.33 0.00 0.00 177.39 177.51 3ikm h HIS 932 N 0.00 0.98 -0.66 -1.77 2.07 -1.14 -3.14 115.15 111.48 3ikm h HIS 932 Ca -0.14 -0.63 0.10 0.00 -2.85 0.00 0.00 60.37 56.85 3ikm h HIS 932 Cb 1.46 -0.07 -0.08 0.00 2.57 0.00 0.00 27.41 31.30 3ikm h HIS 932 CO 0.00 1.47 0.28 1.03 -3.07 0.00 0.00 177.93 177.63 3ikm h SER 933 N 0.21 0.30 -0.36 3.10 0.87 -1.05 1.02 113.55 117.64 3ikm h SER 933 Ca -0.19 0.08 0.10 0.00 -1.23 0.00 0.00 61.79 60.55 3ikm h SER 933 Cb 1.91 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.89 3ikm h SER 933 CO 0.23 0.17 0.77 0.07 -0.53 0.00 0.00 176.83 177.54 3ikm h LYS 934 N 0.47 0.00 -0.00 2.24 2.10 -0.74 1.22 116.57 121.85 3ikm h LYS 934 Ca 0.34 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.99 3ikm h LYS 934 Cb 0.41 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.74 3ikm h LYS 934 CO -0.31 0.00 -0.70 -2.37 -2.00 0.00 0.00 179.45 174.07 3ikm n THR 935 N -3.06 0.00 0.05 0.07 5.66 0.35 -3.16 114.28 114.19 3ikm n THR 935 Ca 0.07 -0.05 -0.16 0.00 -3.05 0.00 0.00 64.05 60.86 3ikm n THR 935 Cb 0.90 0.76 -0.14 0.00 -1.55 0.00 0.00 70.33 70.30 3ikm n THR 935 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3ikm h ALA 936 N 3.20 0.36 -0.46 1.79 0.00 0.16 -3.23 119.26 121.09 3ikm h ALA 936 Ca 0.00 -1.18 0.04 0.00 0.00 0.00 0.00 54.91 53.77 3ikm h ALA 936 Cb 0.54 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 3ikm h ALA 936 CO 0.00 1.22 0.22 1.15 0.00 0.00 0.00 179.25 181.85 3ikm h THR 937 N 0.06 0.95 -2.73 0.00 2.02 -1.41 -2.22 112.91 109.59 3ikm h THR 937 Ca -0.26 -0.15 -0.57 0.00 0.77 0.00 0.00 66.41 66.20 3ikm h THR 937 Cb 2.01 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.86 3ikm h THR 937 CO 0.14 0.08 1.15 0.42 0.37 0.00 0.00 175.52 177.69 3ikm s THR 938 N -6.14 3.64 0.00 3.16 -4.23 -1.19 0.25 115.64 111.12 3ikm s THR 938 Ca -0.13 0.71 0.00 0.00 -1.18 0.00 0.00 61.69 61.09 3ikm s THR 938 Cb 0.13 -3.66 0.00 0.00 1.34 0.00 0.00 72.50 70.31 3ikm s THR 938 CO 0.73 -0.29 0.00 0.52 -0.54 0.00 0.00 174.62 175.04 3ikm n VAL 939 N 6.51 0.00 0.00 2.29 0.31 -1.20 -4.77 118.33 121.47 3ikm n VAL 939 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.52 3ikm n VAL 939 Cb 0.45 -0.08 0.00 0.00 -0.91 0.00 0.00 33.84 33.30 3ikm n VAL 939 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ikm n GLY 940 N -1.63 0.00 3.87 2.92 0.00 0.68 -4.86 105.19 106.17 3ikm n GLY 940 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 3ikm n GLY 940 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3ikm s ILE 941 N 0.00 0.00 0.77 -0.61 2.07 -1.10 -4.98 121.20 117.34 3ikm s ILE 941 Ca 0.00 -0.24 -0.16 0.00 -1.41 0.00 0.00 60.65 58.84 3ikm s ILE 941 Cb 0.00 -2.66 -0.04 0.00 0.13 0.00 0.00 42.46 39.89 3ikm s ILE 941 CO 0.00 0.00 0.41 -0.24 -1.91 0.00 0.00 174.94 173.20 3ikm n SER 942 N -0.91 -1.71 -0.11 4.50 2.88 -1.26 -4.44 113.62 112.56 3ikm n SER 942 Ca -0.01 0.53 -0.22 0.00 -1.33 0.00 0.00 58.87 57.84 3ikm n SER 942 Cb 0.60 -1.17 -0.07 0.00 -0.75 0.00 0.00 64.21 62.81 3ikm n SER 942 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3ikm n ARG 943 N -0.62 0.52 -0.10 -1.46 1.74 -1.26 -4.34 116.66 111.14 3ikm n ARG 943 Ca 0.09 0.23 -0.08 0.00 -0.77 0.00 0.00 57.85 57.31 3ikm n ARG 943 Cb 0.51 -1.39 -0.02 0.00 -1.02 0.00 0.00 32.46 30.54 3ikm n ARG 943 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3ikm h GLU 944 N -0.91 -0.27 -1.33 5.56 5.08 -1.94 1.54 114.58 122.31 3ikm h GLU 944 Ca -0.48 0.02 0.39 0.00 -1.00 0.00 0.00 59.36 58.29 3ikm h GLU 944 Cb 1.40 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 30.63 3ikm h GLU 944 CO -0.29 -0.18 0.93 1.25 -1.00 0.00 0.00 179.01 179.72 3ikm h HIS 945 N -0.28 0.19 0.37 4.33 2.76 -1.90 -1.81 115.15 118.82 3ikm h HIS 945 Ca 0.16 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.32 3ikm h HIS 945 Cb 0.54 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.46 3ikm h HIS 945 CO -0.53 -0.02 -0.18 0.00 -1.30 0.00 0.00 177.93 175.90 3ikm h ALA 946 N 1.40 -0.50 -0.81 5.26 0.00 0.20 -3.21 119.26 121.59 3ikm h ALA 946 Ca 0.68 -0.17 0.19 0.00 0.00 0.00 0.00 54.91 55.61 3ikm h ALA 946 Cb 2.48 0.19 -0.12 0.00 0.00 0.00 0.00 17.79 20.34 3ikm h ALA 946 CO -0.12 -0.52 0.23 0.87 0.00 0.00 0.00 179.25 179.71 3ikm h LYS 947 N -1.02 0.27 -0.28 0.00 1.57 -0.34 -1.88 116.57 114.89 3ikm h LYS 947 Ca -0.05 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3ikm h LYS 947 Cb 0.51 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 3ikm h LYS 947 CO 0.08 0.18 0.13 -0.84 -0.57 0.00 0.00 179.45 178.43 3ikm h ILE 948 N 0.27 1.16 0.00 1.86 3.07 -1.65 -1.91 117.51 120.30 3ikm h ILE 948 Ca 0.48 -0.46 -0.06 0.00 1.55 0.00 0.00 64.86 66.38 3ikm h ILE 948 Cb 0.89 0.95 -0.01 0.00 -0.27 0.00 0.00 36.82 38.38 3ikm h ILE 948 CO -0.56 0.16 -0.26 2.19 -1.05 0.00 0.00 178.15 178.62 3ikm h PHE 949 N 0.31 0.00 -0.70 0.16 -5.15 -1.36 0.13 116.94 110.33 3ikm h PHE 949 Ca 0.09 0.00 -0.07 0.00 -0.20 0.00 0.00 57.97 57.79 3ikm h PHE 949 Cb 0.14 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 36.28 3ikm h PHE 949 CO -0.02 0.26 0.15 -0.91 -2.00 0.00 0.00 178.31 175.80 3ikm h ASN 950 N 0.00 1.07 -0.52 -0.68 2.35 -1.06 4.60 115.58 121.35 3ikm h ASN 950 Ca -0.00 -0.24 0.09 0.00 -0.55 0.00 0.00 56.30 55.60 3ikm h ASN 950 Cb 0.49 -0.28 -0.08 0.00 0.05 0.00 0.00 38.32 38.50 3ikm h ASN 950 CO 0.03 1.03 0.08 1.88 -1.65 0.00 0.00 177.43 178.81 3ikm h TYR 951 N 1.06 0.12 -0.78 1.19 -1.99 -0.33 2.01 116.97 118.25 3ikm h TYR 951 Ca 0.22 0.03 0.03 0.00 2.00 0.00 0.00 58.73 61.01 3ikm h TYR 951 Cb 0.39 0.02 -0.05 0.00 2.00 0.00 0.00 36.73 39.10 3ikm h TYR 951 CO 0.03 -0.04 0.49 0.78 -0.00 0.00 0.00 178.16 179.43 3ikm h GLY 952 N 0.21 1.13 0.29 3.88 0.00 0.35 0.34 103.07 109.27 3ikm h GLY 952 Ca 0.26 -0.37 0.10 0.00 0.00 0.00 0.00 47.33 47.32 3ikm h GLY 952 CO -0.36 0.31 0.15 3.21 0.00 0.00 0.00 176.54 179.85 3ikm h ARG 953 N 0.96 0.28 -7.29 4.80 3.08 1.81 -3.28 114.38 114.75 3ikm h ARG 953 Ca 0.31 -0.02 -0.51 0.00 0.07 0.00 0.00 59.98 59.83 3ikm h ARG 953 Cb 0.02 -0.06 0.17 0.00 0.08 0.00 0.00 29.97 30.17 3ikm h ARG 953 CO -0.11 0.19 0.26 0.42 -1.07 0.00 0.00 179.97 179.66 3ikm s ILE 954 N -6.11 2.64 0.00 2.04 1.01 0.58 -4.45 121.20 116.90 3ikm s ILE 954 Ca -0.13 0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.73 3ikm s ILE 954 Cb 0.17 -2.45 0.00 0.00 0.01 0.00 0.00 42.46 40.19 3ikm s ILE 954 CO 0.74 -0.27 0.00 -1.22 0.00 0.00 0.00 174.94 174.18 3ikm n TYR 955 N -3.93 0.00 -0.55 3.97 4.02 -1.25 -4.79 117.16 114.63 3ikm n TYR 955 Ca 0.10 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.79 3ikm n TYR 955 Cb 0.53 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.87 3ikm n TYR 955 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ikm n GLY 956 N 0.00 -2.19 3.81 2.72 0.00 -1.24 -4.75 105.19 103.54 3ikm n GLY 956 Ca 0.00 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 3ikm n GLY 956 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ikm s ALA 957 N -1.09 3.04 0.00 4.61 0.00 -1.26 -4.61 121.76 122.45 3ikm s ALA 957 Ca 0.21 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.64 3ikm s ALA 957 Cb -0.04 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.91 3ikm s ALA 957 CO 0.42 0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.64 3ikm n GLY 958 N -0.34 0.63 7.00 0.00 0.00 -1.26 -4.26 105.19 106.96 3ikm n GLY 958 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3ikm n GLY 958 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ikm n GLN 959 N 0.00 0.00 0.20 1.61 6.02 -1.21 -2.13 117.38 121.87 3ikm n GLN 959 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.84 3ikm n GLN 959 Cb 0.00 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.19 3ikm n GLN 959 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3ikm h PRO 960 N 0.00 -0.56 -0.97 -1.09 0.13 -1.90 0.24 132.00 127.85 3ikm h PRO 960 Ca 0.00 0.04 0.18 0.00 -0.87 0.00 0.00 66.00 65.35 3ikm h PRO 960 Cb 0.00 0.13 -0.09 0.00 0.13 0.00 0.00 31.00 31.17 3ikm h PRO 960 CO 0.00 -0.37 0.61 0.74 -0.23 0.00 0.00 178.00 178.75 3ikm h PHE 961 N -0.58 0.91 0.53 1.56 -1.00 -1.61 0.21 116.94 116.97 3ikm h PHE 961 Ca -0.02 0.03 -0.03 0.00 2.81 0.00 0.00 57.97 60.76 3ikm h PHE 961 Cb 0.51 -0.28 0.01 0.00 3.61 0.00 0.00 35.95 39.80 3ikm h PHE 961 CO -0.14 0.25 -0.26 0.00 -1.61 0.00 0.00 178.31 176.56 3ikm h ALA 962 N 1.61 -0.72 -0.65 2.45 0.00 -1.48 -2.23 119.26 118.26 3ikm h ALA 962 Ca 0.52 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.28 3ikm h ALA 962 Cb 0.89 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 3ikm h ALA 962 CO -0.29 -0.83 0.39 1.05 0.00 0.00 0.00 179.25 179.58 3ikm h GLU 963 N -0.87 0.74 0.18 0.00 4.11 0.91 -1.16 114.58 118.48 3ikm h GLU 963 Ca -0.07 -0.04 0.01 0.00 0.07 0.00 0.00 59.36 59.32 3ikm h GLU 963 Cb 0.61 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 3ikm h GLU 963 CO 0.12 0.49 -0.24 0.00 0.07 0.00 0.00 179.01 179.45 3ikm h ARG 964 N 0.76 -0.46 -0.22 1.06 3.08 -0.62 0.38 114.38 118.36 3ikm h ARG 964 Ca 0.27 0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.40 3ikm h ARG 964 Cb 0.05 0.10 -0.06 0.00 0.08 0.00 0.00 29.97 30.15 3ikm h ARG 964 CO -0.12 -0.31 -0.19 -0.07 -1.07 0.00 0.00 179.97 178.22 3ikm h LEU 965 N -0.48 -0.61 -0.01 3.04 3.38 -1.16 0.40 115.31 119.88 3ikm h LEU 965 Ca 0.01 0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.11 3ikm h LEU 965 Cb 0.47 0.30 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 3ikm h LEU 965 CO -0.09 -0.23 -0.18 -0.07 0.09 0.00 0.00 178.44 177.95 3ikm h LEU 966 N -0.19 -0.57 -0.79 1.67 3.38 -0.84 -2.12 115.31 115.84 3ikm h LEU 966 Ca 0.13 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.24 3ikm h LEU 966 Cb 0.39 0.22 -0.10 0.00 0.09 0.00 0.00 40.66 41.26 3ikm h LEU 966 CO -0.34 -0.18 -0.46 0.80 0.09 0.00 0.00 178.44 178.35 3ikm n MET 967 N -3.51 -0.34 -0.07 1.13 1.56 0.13 0.24 117.12 116.26 3ikm n MET 967 Ca -0.02 1.20 -0.11 0.00 -0.27 0.00 0.00 57.70 58.49 3ikm n MET 967 Cb 0.13 -1.77 -0.08 0.00 2.15 0.00 0.00 33.22 33.66 3ikm n MET 967 CO 0.00 0.00 0.00 1.96 -0.73 0.00 0.00 175.97 177.20 3ikm h GLN 968 N 0.00 -0.36 -0.07 2.12 1.08 -0.72 -2.98 115.11 114.18 3ikm h GLN 968 Ca 0.13 0.02 -0.18 0.00 -1.45 0.00 0.00 58.65 57.18 3ikm h GLN 968 Cb 0.33 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.84 3ikm h GLN 968 CO -0.75 -0.24 -0.71 0.74 -0.95 0.00 0.00 178.83 176.92 3ikm h PHE 969 N -0.37 0.47 -3.31 2.96 -1.00 0.13 -3.45 116.94 112.37 3ikm h PHE 969 Ca 0.04 -0.20 -0.30 0.00 2.81 0.00 0.00 57.97 60.32 3ikm h PHE 969 Cb 0.49 -0.07 0.12 0.00 3.61 0.00 0.00 35.95 40.10 3ikm h PHE 969 CO -0.64 0.94 0.29 0.09 -1.61 0.00 0.00 178.31 177.38 3ikm n ASN 970 N -3.83 0.08 0.00 2.17 3.02 0.66 -5.09 115.26 112.28 3ikm n ASN 970 Ca -0.04 -1.34 0.00 0.00 -0.03 0.00 0.00 54.58 53.17 3ikm n ASN 970 Cb 0.69 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 3ikm n ASN 970 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3ikm n HIS 971 N -3.26 0.00 0.86 3.10 8.25 -1.26 -4.76 115.22 118.15 3ikm n HIS 971 Ca 0.12 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.69 3ikm n HIS 971 Cb 0.40 0.00 0.21 0.00 1.12 0.00 0.00 29.99 31.72 3ikm n HIS 971 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3ikm n ARG 972 N 0.00 0.09 0.30 -0.41 1.74 -1.26 -3.42 116.66 113.70 3ikm n ARG 972 Ca 0.00 0.02 0.18 0.00 -0.77 0.00 0.00 57.85 57.28 3ikm n ARG 972 Cb 0.00 -1.55 0.92 0.00 -1.02 0.00 0.00 32.46 30.82 3ikm n ARG 972 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3ikm h LEU 973 N 0.00 0.00 0.00 0.55 3.38 -1.99 -3.46 115.31 113.79 3ikm h LEU 973 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3ikm h LEU 973 Cb 0.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3ikm h LEU 973 CO 0.00 0.00 -0.04 0.35 0.09 0.00 0.00 178.44 178.84 3ikm n THR 974 N -3.12 0.00 -0.32 0.22 -2.24 -1.22 -1.11 114.28 106.48 3ikm n THR 974 Ca -0.01 0.00 0.20 0.00 -2.27 0.00 0.00 64.05 61.97 3ikm n THR 974 Cb 0.31 -0.04 0.40 0.00 -2.10 0.00 0.00 70.33 68.89 3ikm n THR 974 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3ikm h GLN 975 N 0.00 0.22 0.07 -0.78 4.15 -1.90 0.50 115.11 117.37 3ikm h GLN 975 Ca 0.00 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.43 3ikm h GLN 975 Cb 0.11 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.71 3ikm h GLN 975 CO 0.00 0.15 -0.33 0.37 -1.93 0.00 0.00 178.83 177.09 3ikm h GLN 976 N 0.23 -0.50 0.00 1.69 4.15 -1.94 0.71 115.11 119.44 3ikm h GLN 976 Ca 0.66 0.03 -0.16 0.00 0.77 0.00 0.00 58.65 59.96 3ikm h GLN 976 Cb 1.48 0.11 -0.02 0.00 0.21 0.00 0.00 27.48 29.26 3ikm h GLN 976 CO -0.66 -0.34 -0.75 0.93 -1.93 0.00 0.00 178.83 176.08 3ikm h GLU 977 N -0.52 0.00 -0.85 1.69 5.08 0.64 -2.22 114.58 118.40 3ikm h GLU 977 Ca 0.04 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3ikm h GLU 977 Cb 0.58 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 3ikm h GLU 977 CO -0.22 0.75 0.45 0.00 -1.00 0.00 0.00 179.01 178.98 3ikm h ALA 978 N 1.25 1.09 0.50 3.43 0.00 0.49 0.70 119.26 126.71 3ikm h ALA 978 Ca -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3ikm h ALA 978 Cb 1.37 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3ikm h ALA 978 CO 0.10 0.62 -0.24 0.00 0.00 0.00 0.00 179.25 179.73 3ikm h ALA 979 N 1.24 -0.67 -0.40 0.00 0.00 0.62 -1.94 119.26 118.11 3ikm h ALA 979 Ca 0.30 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.14 3ikm h ALA 979 Cb 0.06 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 3ikm h ALA 979 CO -0.04 -0.87 -0.16 0.93 0.00 0.00 0.00 179.25 179.11 3ikm h GLU 980 N -0.67 -0.07 0.33 0.00 5.08 -0.75 -2.42 114.58 116.08 3ikm h GLU 980 Ca -0.07 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3ikm h GLU 980 Cb 0.51 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3ikm h GLU 980 CO 0.11 -0.05 -0.16 0.87 -1.00 0.00 0.00 179.01 178.79 3ikm h LYS 981 N -0.07 -0.42 -1.00 2.33 1.79 -0.82 -1.11 116.57 117.25 3ikm h LYS 981 Ca 0.20 0.03 0.09 0.00 -2.18 0.00 0.00 60.65 58.79 3ikm h LYS 981 Cb 0.37 0.10 -0.08 0.00 -1.58 0.00 0.00 32.23 31.04 3ikm h LYS 981 CO -0.45 -0.14 0.64 0.00 -1.08 0.00 0.00 179.45 178.42 3ikm h ALA 982 N -0.12 1.46 0.19 3.86 0.00 -1.36 0.83 119.26 124.12 3ikm h ALA 982 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3ikm h ALA 982 Cb 0.48 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3ikm h ALA 982 CO 0.07 0.33 -0.09 1.96 0.00 0.00 0.00 179.25 181.52 3ikm h GLN 983 N 1.08 -0.25 -0.85 0.00 1.08 -1.43 0.65 115.11 115.40 3ikm h GLN 983 Ca 0.47 0.02 0.15 0.00 -1.45 0.00 0.00 58.65 57.83 3ikm h GLN 983 Cb 0.34 0.06 -0.09 0.00 -0.05 0.00 0.00 27.48 27.73 3ikm h GLN 983 CO -0.22 -0.09 0.43 1.96 -0.95 0.00 0.00 178.83 179.96 3ikm h GLN 984 N -0.36 0.60 0.49 1.46 4.20 0.73 0.82 115.11 123.06 3ikm h GLN 984 Ca -0.03 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 3ikm h GLN 984 Cb 0.27 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.92 3ikm h GLN 984 CO 0.04 0.40 -0.24 0.52 -0.67 0.00 0.00 178.83 178.89 3ikm h MET 985 N 0.62 -0.64 -1.02 1.46 2.86 0.70 1.67 114.93 120.59 3ikm h MET 985 Ca 0.46 0.04 0.25 0.00 -2.06 0.00 0.00 59.70 58.40 3ikm h MET 985 Cb 0.65 0.14 -0.11 0.00 0.06 0.00 0.00 31.60 32.34 3ikm h MET 985 CO -0.36 -0.39 0.63 -0.92 1.06 0.00 0.00 176.91 176.93 3ikm h TYR 986 N -1.14 0.87 0.33 -0.22 3.20 -0.53 -1.68 116.97 117.79 3ikm h TYR 986 Ca -0.07 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 3ikm h TYR 986 Cb 0.54 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.56 3ikm h TYR 986 CO 0.01 0.07 -0.16 0.00 -1.64 0.00 0.00 178.16 176.43 3ikm h ALA 987 N 1.68 -0.45 -0.16 1.82 0.00 0.94 0.37 119.26 123.47 3ikm h ALA 987 Ca 0.63 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.36 3ikm h ALA 987 Cb 1.34 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 3ikm h ALA 987 CO -0.40 -0.51 -0.09 0.00 0.00 0.00 0.00 179.25 178.25 3ikm n ALA 988 N -2.58 -0.10 1.85 0.00 0.00 0.57 0.69 120.51 120.94 3ikm n ALA 988 Ca -0.09 0.13 0.13 0.00 0.00 0.00 0.00 53.44 53.62 3ikm n ALA 988 Cb 0.27 0.35 0.78 0.00 0.00 0.00 0.00 19.45 20.85 3ikm n ALA 988 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3ikm n THR 989 N -3.28 0.00 -2.46 0.00 -2.24 -1.11 -3.70 114.28 101.49 3ikm n THR 989 Ca 0.00 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.75 3ikm n THR 989 Cb 0.04 -0.48 0.05 0.00 -2.10 0.00 0.00 70.33 67.84 3ikm n THR 989 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3ikm n LYS 990 N -0.95 0.88 0.13 -0.78 5.02 0.12 -0.80 118.16 121.79 3ikm n LYS 990 Ca 0.20 -1.37 -0.13 0.00 -2.02 0.00 0.00 58.31 54.99 3ikm n LYS 990 Cb 0.09 0.27 -0.08 0.00 -0.02 0.00 0.00 35.03 35.29 3ikm n LYS 990 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3ikm h GLY 991 N 0.80 -0.36 0.00 0.72 0.00 2.30 -3.40 103.07 103.12 3ikm h GLY 991 Ca -0.45 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.01 3ikm h GLY 991 CO -0.18 -0.13 0.00 -0.10 0.00 0.00 0.00 176.54 176.13 3ikm n LEU 992 N -5.11 0.00 -4.69 3.11 -0.00 -1.13 -4.89 117.00 104.29 3ikm n LEU 992 Ca -0.09 0.00 -0.36 0.00 -0.00 0.00 0.00 56.01 55.55 3ikm n LEU 992 Cb 0.25 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.58 3ikm n LEU 992 CO 0.31 -0.90 -0.08 -0.60 -0.00 0.00 0.00 177.39 176.12 3ikm s ARG 993 N -0.72 4.16 -0.39 1.96 3.00 -1.26 -4.64 118.95 121.06 3ikm s ARG 993 Ca 0.00 -0.07 -0.02 0.00 -1.00 0.00 0.00 55.73 54.64 3ikm s ARG 993 Cb 0.00 -3.49 0.00 0.00 0.00 0.00 0.00 34.95 31.47 3ikm s ARG 993 CO 0.00 0.14 0.34 1.87 0.00 0.00 0.00 175.30 177.64 3ikm n TRP 994 N 3.99 -0.81 -1.37 5.12 -0.00 -1.26 -4.19 117.44 118.92 3ikm n TRP 994 Ca -0.13 0.29 0.00 0.00 -0.00 0.00 0.00 57.50 57.66 3ikm n TRP 994 Cb 0.52 -2.30 0.00 0.00 -0.00 0.00 0.00 31.31 29.52 3ikm n TRP 994 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 177.69 178.67 3ikm n TYR 995 N -3.01 0.00 -4.31 5.87 9.36 -1.26 -5.07 117.16 118.74 3ikm n TYR 995 Ca -0.01 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.04 3ikm n TYR 995 Cb 0.52 -0.66 -0.10 0.00 -0.63 0.00 0.00 39.34 38.47 3ikm n TYR 995 CO 0.00 0.00 0.00 -0.98 0.22 0.00 0.00 176.86 176.10 3ikm s ARG 996 N -3.03 1.24 0.35 2.98 3.03 -1.26 -4.89 118.95 117.38 3ikm s ARG 996 Ca 0.00 -1.58 0.00 0.00 2.03 0.00 0.00 55.73 56.18 3ikm s ARG 996 Cb 0.00 -0.73 0.00 0.00 -1.03 0.00 0.00 34.95 33.19 3ikm s ARG 996 CO 0.00 0.02 0.00 1.28 -1.13 0.00 0.00 175.30 175.47 3ikm n LEU 997 N -0.34 -0.70 0.00 -1.89 4.77 -1.26 -2.83 117.00 114.74 3ikm n LEU 997 Ca -0.08 1.56 0.00 0.00 -0.03 0.00 0.00 56.01 57.47 3ikm n LEU 997 Cb 0.62 -4.19 0.00 0.00 -2.33 0.00 0.00 43.42 37.52 3ikm n LEU 997 CO 0.35 -3.52 0.00 -0.24 -1.33 0.00 0.00 177.39 172.65 3ikm n SER 998 N -4.10 0.00 -0.07 -1.43 2.88 -1.26 -4.25 113.62 105.38 3ikm n SER 998 Ca -0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 3ikm n SER 998 Cb 0.63 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.04 3ikm n SER 998 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3ikm n ASP 999 N -0.32 1.59 0.00 -3.46 8.00 0.02 -4.43 116.55 117.95 3ikm n ASP 999 Ca 0.00 0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.77 3ikm n ASP 999 Cb 0.00 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 40.48 3ikm n ASP 999 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ikm n GLU 1000N -4.08 0.00 -0.53 -1.24 1.02 -0.55 -2.38 120.64 112.89 3ikm n GLU 1000Ca -0.23 0.00 0.44 0.00 -0.02 0.00 0.00 57.16 57.34 3ikm n GLU 1000Cb 0.56 -1.48 0.75 0.00 -0.02 0.00 0.00 31.44 31.25 3ikm n GLU 1000CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3ikm h GLY 1001N 0.00 0.36 0.67 0.62 0.00 -1.77 4.03 103.07 106.97 3ikm h GLY 1001Ca 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 47.33 47.23 3ikm h GLY 1001CO 0.00 -0.10 -0.18 1.05 0.00 0.00 0.00 176.54 177.30 3ikm h GLU 1002N 0.04 0.29 -0.94 4.80 4.11 -1.83 -1.92 114.58 119.13 3ikm h GLU 1002Ca 0.80 -0.19 0.23 0.00 0.07 0.00 0.00 59.36 60.27 3ikm h GLU 1002Cb 3.00 0.02 -0.12 0.00 0.50 0.00 0.00 28.75 32.15 3ikm h GLU 1002CO -0.12 0.78 0.48 2.35 0.07 0.00 0.00 179.01 182.57 3ikm h TRP 1003N -0.16 0.82 -0.66 2.06 2.91 0.69 2.93 115.95 124.54 3ikm h TRP 1003Ca 0.00 0.04 0.16 0.00 1.13 0.00 0.00 58.89 60.22 3ikm h TRP 1003Cb 0.77 -0.21 -0.04 0.00 -0.51 0.00 0.00 29.16 29.17 3ikm h TRP 1003CO 0.11 0.02 0.46 -0.07 -1.03 0.00 0.00 178.44 177.92 3ikm h LEU 1004N 0.49 0.17 -0.00 0.65 4.07 0.22 1.15 115.31 122.06 3ikm h LEU 1004Ca 0.59 0.01 -0.17 0.00 0.08 0.00 0.00 57.88 58.39 3ikm h LEU 1004Cb 1.11 -0.02 0.01 0.00 1.08 0.00 0.00 40.66 42.84 3ikm h LEU 1004CO -0.50 0.09 -0.66 -0.37 -1.08 0.00 0.00 178.44 175.93 3ikm h VAL 1005N 0.18 1.41 0.20 1.22 -1.51 0.55 0.29 116.25 118.59 3ikm h VAL 1005Ca 0.32 -2.09 0.01 0.00 -1.23 0.00 0.00 66.70 63.70 3ikm h VAL 1005Cb 1.00 2.56 -0.04 0.00 -2.13 0.00 0.00 31.29 32.67 3ikm h VAL 1005CO -0.05 0.62 -0.52 -0.09 -1.23 0.00 0.00 177.57 176.29 3ikm h ARG 1006N -0.03 -0.78 -0.96 5.19 9.65 0.21 6.27 114.38 133.93 3ikm h ARG 1006Ca -0.08 0.05 0.28 0.00 -1.10 0.00 0.00 59.98 59.13 3ikm h ARG 1006Cb 1.36 0.18 -0.04 0.00 -1.39 0.00 0.00 29.97 30.08 3ikm h ARG 1006CO 0.13 -0.52 0.69 1.49 2.80 0.00 0.00 179.97 184.56 3ikm h GLU 1007N -0.81 0.02 0.00 0.20 4.81 0.13 0.19 114.58 119.12 3ikm h GLU 1007Ca -0.02 -0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.07 3ikm h GLU 1007Cb 0.79 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.14 3ikm h GLU 1007CO -0.24 0.01 -2.02 1.47 -0.73 0.00 0.00 179.01 177.50 3ikm n LEU 1008N -4.26 0.13 0.12 1.64 -0.00 0.10 -3.20 117.00 111.53 3ikm n LEU 1008Ca 0.20 0.05 0.13 0.00 -0.00 0.00 0.00 56.01 56.39 3ikm n LEU 1008Cb 1.02 0.17 0.45 0.00 -0.00 0.00 0.00 43.42 45.06 3ikm n LEU 1008CO 0.39 0.17 0.88 0.59 -0.00 0.00 0.00 177.39 179.41 3ikm n ASN 1009N -2.51 0.78 -0.00 1.45 4.13 2.00 -3.71 115.26 117.39 3ikm n ASN 1009Ca -0.14 0.62 0.03 0.00 1.68 0.00 0.00 54.58 56.78 3ikm n ASN 1009Cb 0.79 -0.81 -0.05 0.00 -1.54 0.00 0.00 39.78 38.17 3ikm n ASN 1009CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3ikm n LEU 1010N -2.28 0.05 0.00 3.41 4.77 -0.19 -4.26 117.00 118.50 3ikm n LEU 1010Ca 0.04 -0.08 0.10 0.00 -0.03 0.00 0.00 56.01 56.04 3ikm n LEU 1010Cb 0.34 0.00 0.53 0.00 -2.33 0.00 0.00 43.42 41.96 3ikm n LEU 1010CO 0.26 0.01 0.80 -0.81 -1.33 0.00 0.00 177.39 176.31 3ikm n PRO 1011N -1.64 0.41 -4.21 3.23 -0.04 -1.19 -4.37 135.00 127.18 3ikm n PRO 1011Ca -0.01 0.06 -0.20 0.00 -0.04 0.00 0.00 63.50 63.32 3ikm n PRO 1011Cb 0.16 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 31.96 3ikm n PRO 1011CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3ikm s VAL 1012N -2.35 0.57 -1.38 0.52 -7.23 -1.25 -4.95 120.40 104.32 3ikm s VAL 1012Ca 0.23 -0.18 -0.05 0.00 -1.81 0.00 0.00 61.98 60.17 3ikm s VAL 1012Cb 0.13 -0.57 0.03 0.00 0.56 0.00 0.00 36.38 36.54 3ikm s VAL 1012CO 0.27 0.22 0.83 -0.67 -0.31 0.00 0.00 175.10 175.44 3ikm n ASP 1013N 3.80 -2.66 -3.59 4.85 -0.08 -1.26 -4.45 116.55 113.15 3ikm n ASP 1013Ca -0.23 -0.79 -0.21 0.00 -1.51 0.00 0.00 54.79 52.05 3ikm n ASP 1013Cb 0.52 -4.07 0.01 0.00 2.34 0.00 0.00 41.12 39.92 3ikm n ASP 1013CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 3ikm n ARG 1014N -4.45 -1.32 0.00 -0.67 0.00 -1.26 -4.86 116.66 104.11 3ikm n ARG 1014Ca -0.17 0.84 0.00 0.00 -0.00 0.00 0.00 57.85 58.52 3ikm n ARG 1014Cb 0.62 -3.64 0.00 0.00 0.00 0.00 0.00 32.46 29.44 3ikm n ARG 1014CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 3ikm n THR 1015N -2.93 0.00 0.00 5.15 -2.24 -1.26 -4.86 114.28 108.14 3ikm n THR 1015Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3ikm n THR 1015Cb 0.61 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 3ikm n THR 1015CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ikm n GLU 1016N 0.00 0.00 -1.32 -0.78 1.02 -1.26 -4.43 120.64 113.87 3ikm n GLU 1016Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 3ikm n GLU 1016Cb 0.00 -0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.37 3ikm n GLU 1016CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ikm n GLY 1017N 0.00 1.12 0.00 0.62 0.00 -1.26 -0.83 105.19 104.83 3ikm n GLY 1017Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3ikm n GLY 1017CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ikm n GLY 1018N -0.31 3.06 3.46 -0.02 0.00 -1.26 -4.99 105.19 105.12 3ikm n GLY 1018Ca -0.11 -0.86 -0.44 0.00 0.00 0.00 0.00 46.02 44.61 3ikm n GLY 1018CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3ikm s TRP 1019N -0.52 3.08 0.36 1.61 -0.11 -0.01 -5.00 118.94 118.35 3ikm s TRP 1019Ca 0.00 -0.48 -0.14 0.00 1.22 0.00 0.00 56.10 56.70 3ikm s TRP 1019Cb 0.00 -3.39 -0.11 0.00 -1.50 0.00 0.00 33.47 28.46 3ikm s TRP 1019CO 0.00 -0.95 -0.04 1.51 -4.62 0.00 0.00 176.95 172.85 3ikm n ILE 1020N 5.59 0.15 0.00 5.86 0.00 -1.26 -4.69 119.36 125.02 3ikm n ILE 1020Ca -0.06 -0.38 0.00 0.00 0.00 0.00 0.00 62.75 62.31 3ikm n ILE 1020Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 39.64 40.10 3ikm n ILE 1020CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 3ikm n SER 1021N 1.85 0.00 -4.40 9.51 7.64 -1.26 -5.01 113.62 121.95 3ikm n SER 1021Ca 0.07 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.59 3ikm n SER 1021Cb 0.34 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.41 3ikm n SER 1021CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3ikm s LEU 1022N 0.00 3.20 0.11 -3.43 1.02 -1.26 -4.61 118.68 113.70 3ikm s LEU 1022Ca 0.00 -0.26 -0.31 0.00 0.02 0.00 0.00 54.13 53.58 3ikm s LEU 1022Cb 0.00 -1.83 -0.10 0.00 0.02 0.00 0.00 46.19 44.28 3ikm s LEU 1022CO 0.00 0.01 1.86 0.00 0.02 0.00 0.00 176.35 178.24 3ikm n GLN 1023N 4.63 2.81 -1.57 1.70 6.02 -1.26 -4.84 117.38 124.87 3ikm n GLN 1023Ca -0.17 1.02 -0.37 0.00 -0.01 0.00 0.00 57.00 57.48 3ikm n GLN 1023Cb 0.51 -2.93 0.07 0.00 1.02 0.00 0.00 30.24 28.92 3ikm n GLN 1023CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3ikm n ASP 1024N 5.92 1.17 0.00 1.08 2.03 -1.26 -1.68 116.55 123.80 3ikm n ASP 1024Ca 0.18 0.76 0.00 0.00 0.52 0.00 0.00 54.79 56.26 3ikm n ASP 1024Cb 0.38 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.32 3ikm n ASP 1024CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 3ikm n LEU 1025N -1.56 0.38 -0.06 -2.67 0.00 -1.26 -4.62 117.00 107.21 3ikm n LEU 1025Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 56.15 3ikm n LEU 1025Cb 0.48 -1.20 -0.00 0.00 0.00 0.00 0.00 43.42 42.70 3ikm n LEU 1025CO 0.48 -0.36 0.02 -2.11 0.00 0.00 0.00 177.39 175.42 3ikm n ARG 1026N 0.34 0.00 0.00 1.96 0.00 -0.68 -4.51 116.66 113.77 3ikm n ARG 1026Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3ikm n ARG 1026Cb 0.17 -0.02 0.00 0.00 -0.00 0.00 0.00 32.46 32.61 3ikm n ARG 1026CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3ikm n LYS 1027N 0.10 0.00 -0.09 2.89 4.76 -1.26 -2.49 118.16 122.07 3ikm n LYS 1027Ca 0.01 0.00 0.06 0.00 -2.87 0.00 0.00 58.31 55.51 3ikm n LYS 1027Cb -0.00 -0.98 0.10 0.00 -1.84 0.00 0.00 35.03 32.31 3ikm n LYS 1027CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3ikm n VAL 1028N -0.24 0.46 0.02 -0.18 0.31 -1.26 -4.00 118.33 113.44 3ikm n VAL 1028Ca 0.00 -0.73 -0.01 0.00 -0.01 0.00 0.00 64.34 63.59 3ikm n VAL 1028Cb 0.00 0.91 -0.00 0.00 -0.91 0.00 0.00 33.84 33.83 3ikm n VAL 1028CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 3ikm h GLN 1029N 2.28 -0.04 0.00 5.55 4.15 -1.74 -3.32 115.11 122.00 3ikm h GLN 1029Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3ikm h GLN 1029Cb 0.62 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.31 3ikm h GLN 1029CO 0.00 -0.03 -0.71 0.00 -1.93 0.00 0.00 178.83 176.16 3ikm h ARG 1030N -0.05 0.00 -1.73 1.69 2.47 -1.81 -3.16 114.38 111.79 3ikm h ARG 1030Ca -0.00 0.00 -0.42 0.00 -1.26 0.00 0.00 59.98 58.29 3ikm h ARG 1030Cb 0.03 0.00 -0.16 0.00 -1.65 0.00 0.00 29.97 28.19 3ikm h ARG 1030CO 0.01 0.00 0.42 -0.85 0.56 0.00 0.00 179.97 180.11 3ikm n GLU 1031N -2.31 2.14 -1.76 0.04 0.28 -1.26 -4.80 120.64 112.97 3ikm n GLU 1031Ca 0.02 -2.02 -0.37 0.00 -0.16 0.00 0.00 57.16 54.63 3ikm n GLU 1031Cb 0.47 -1.90 -0.03 0.00 1.43 0.00 0.00 31.44 31.41 3ikm n GLU 1031CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 3ikm s THR 1032N -2.38 3.16 0.28 3.84 -1.32 -1.20 -4.87 115.64 113.15 3ikm s THR 1032Ca 0.46 0.09 -0.30 0.00 -1.21 0.00 0.00 61.69 60.74 3ikm s THR 1032Cb 0.32 -3.41 -0.11 0.00 -1.51 0.00 0.00 72.50 67.80 3ikm s THR 1032CO -0.11 -0.39 1.50 0.00 -2.21 0.00 0.00 174.62 173.41 3ikm s ALA 1033N 10.82 3.67 0.00 11.08 0.00 -1.26 -4.66 121.76 141.41 3ikm s ALA 1033Ca 0.85 1.44 0.00 0.00 0.00 0.00 0.00 51.96 54.25 3ikm s ALA 1033Cb -0.15 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.37 3ikm s ALA 1033CO 0.24 -0.86 0.00 -2.13 0.00 0.00 0.00 175.76 173.01 3ikm n ARG 1034N 2.08 0.00 -1.97 0.00 3.00 -1.26 -5.05 116.66 113.45 3ikm n ARG 1034Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.92 3ikm n ARG 1034Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.85 3ikm n ARG 1034CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3ikm n LYS 1035N 0.00 0.00 -3.34 -0.14 4.76 -1.26 -5.08 118.16 113.10 3ikm n LYS 1035Ca 0.00 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.06 3ikm n LYS 1035Cb 0.00 -2.02 -0.06 0.00 -1.84 0.00 0.00 35.03 31.11 3ikm n LYS 1035CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3ikm s SER 1036N -2.78 6.90 0.00 4.39 0.15 -1.26 -5.03 113.70 116.06 3ikm s SER 1036Ca 0.00 1.07 0.00 0.00 0.70 0.00 0.00 55.95 57.72 3ikm s SER 1036Cb 0.00 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 62.00 3ikm s SER 1036CO 0.00 0.21 0.13 0.00 1.20 0.00 0.00 173.24 174.78 3ikm n GLN 1037N 2.31 0.00 0.00 5.44 1.13 -1.26 -4.82 117.38 120.18 3ikm n GLN 1037Ca -0.10 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.96 3ikm n GLN 1037Cb 0.51 -1.14 0.00 0.00 0.11 0.00 0.00 30.24 29.73 3ikm n GLN 1037CO 0.00 0.00 0.00 1.87 -1.44 0.00 0.00 177.06 177.49 3ikm n TRP 1038N -0.60 0.00 -1.22 1.08 -0.00 -1.26 -5.16 117.44 110.28 3ikm n TRP 1038Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.50 57.63 3ikm n TRP 1038Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 31.31 31.24 3ikm n TRP 1038CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 3ikm n LYS 1039N -0.86 -2.88 -1.64 5.87 5.02 -1.26 -4.38 118.16 118.03 3ikm n LYS 1039Ca 0.00 2.35 -0.15 0.00 -2.02 0.00 0.00 58.31 58.49 3ikm n LYS 1039Cb 0.12 -3.28 -0.07 0.00 -0.02 0.00 0.00 35.03 31.78 3ikm n LYS 1039CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3ikm s LYS 1040N -4.25 1.68 0.00 1.97 -0.14 -1.26 -3.69 119.74 114.06 3ikm s LYS 1040Ca 0.00 0.27 0.00 0.00 -1.36 0.00 0.00 55.97 54.88 3ikm s LYS 1040Cb 0.00 -4.85 0.00 0.00 -1.68 0.00 0.00 37.83 31.30 3ikm s LYS 1040CO 0.00 -4.43 0.00 1.87 -0.76 0.00 0.00 175.35 172.03 3ikm n TRP 1041N 18.17 0.00 0.00 3.18 -0.00 -1.26 -3.27 117.44 134.26 3ikm n TRP 1041Ca 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.95 3ikm n TRP 1041Cb 0.44 -0.90 0.00 0.00 -0.00 0.00 0.00 31.31 30.85 3ikm n TRP 1041CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 177.69 178.08 3ikm n GLU 1042N -2.00 0.00 0.00 5.87 1.02 -1.24 -4.10 120.64 120.19 3ikm n GLU 1042Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3ikm n GLU 1042Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3ikm n GLU 1042CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 3ikm n VAL 1043N 0.00 1.67 -0.11 2.62 0.24 -1.26 -0.33 118.33 121.16 3ikm n VAL 1043Ca 0.00 0.44 -0.13 0.00 -2.04 0.00 0.00 64.34 62.61 3ikm n VAL 1043Cb 0.00 -1.44 -0.03 0.00 -1.47 0.00 0.00 33.84 30.90 3ikm n VAL 1043CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 3ikm h VAL 1044N 0.00 1.29 -0.69 3.34 2.07 -1.80 -2.81 116.25 117.64 3ikm h VAL 1044Ca 0.00 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 66.07 3ikm h VAL 1044Cb 0.04 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 3ikm h VAL 1044CO 0.00 0.48 0.44 0.00 0.02 0.00 0.00 177.57 178.51 3ikm h ALA 1045N 0.76 0.88 -0.29 1.67 0.00 -0.66 0.86 119.26 122.48 3ikm h ALA 1045Ca 0.06 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.00 3ikm h ALA 1045Cb 0.86 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3ikm h ALA 1045CO 0.08 0.33 0.33 1.49 0.00 0.00 0.00 179.25 181.47 3ikm h GLU 1046N 0.94 0.00 0.01 0.00 4.81 -1.58 -2.53 114.58 116.23 3ikm h GLU 1046Ca 0.25 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.48 3ikm h GLU 1046Cb -0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.30 3ikm h GLU 1046CO -0.05 0.00 -0.00 0.07 -0.73 0.00 0.00 179.01 178.30 3ikm h ARG 1047N 0.00 -0.01 -1.78 1.92 -0.00 0.10 -3.18 114.38 111.44 3ikm h ARG 1047Ca 0.14 0.00 0.54 0.00 -0.00 0.00 0.00 59.98 60.66 3ikm h ARG 1047Cb 0.80 0.00 -0.09 0.00 -0.00 0.00 0.00 29.97 30.68 3ikm h ARG 1047CO -0.00 0.39 1.25 0.00 -0.00 0.00 0.00 179.97 181.61 3ikm h ALA 1048N 0.58 3.55 0.00 0.08 0.00 -1.20 5.36 119.26 127.64 3ikm h ALA 1048Ca -0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3ikm h ALA 1048Cb 0.40 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3ikm h ALA 1048CO 0.00 -2.14 -0.46 0.11 0.00 0.00 0.00 179.25 176.76 3ikm h TRP 1049N 0.01 0.00 0.00 0.00 5.08 -1.70 4.20 115.95 123.54 3ikm h TRP 1049Ca 0.91 0.00 -0.11 0.00 1.08 0.00 0.00 58.89 60.77 3ikm h TRP 1049Cb 3.45 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 29.59 3ikm h TRP 1049CO -0.00 0.36 -0.52 -0.22 -1.28 0.00 0.00 178.44 176.77 3ikm h LYS 1050N 0.00 0.00 -0.01 0.12 3.64 0.96 0.21 116.57 121.49 3ikm h LYS 1050Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3ikm h LYS 1050Cb 1.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 3ikm h LYS 1050CO 0.04 0.52 -0.22 0.41 -2.27 0.00 0.00 179.45 177.94 3ikm n GLY 1051N 0.96 -0.31 0.11 5.01 0.00 0.72 -2.62 105.19 109.05 3ikm n GLY 1051Ca 0.01 -0.46 -0.05 0.00 0.00 0.00 0.00 46.02 45.52 3ikm n GLY 1051CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ikm h GLY 1052N 4.89 0.07 0.83 -0.02 0.00 1.13 1.91 103.07 111.89 3ikm h GLY 1052Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 3ikm h GLY 1052CO 0.00 0.11 -0.27 -0.84 0.00 0.00 0.00 176.54 175.54 3ikm h THR 1053N 0.04 0.43 -0.61 4.70 2.02 -1.05 2.50 112.91 120.94 3ikm h THR 1053Ca -0.02 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.22 3ikm h THR 1053Cb 1.42 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 68.23 3ikm h THR 1053CO 0.11 0.00 0.40 -0.33 0.37 0.00 0.00 175.52 176.08 3ikm h GLU 1054N -0.66 0.60 -0.22 6.66 5.08 -1.48 -1.88 114.58 122.69 3ikm h GLU 1054Ca -0.04 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.10 3ikm h GLU 1054Cb 0.55 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 3ikm h GLU 1054CO 0.02 0.40 -0.60 0.66 -1.00 0.00 0.00 179.01 178.50 3ikm h SER 1055N 0.62 0.80 -0.12 1.42 4.64 0.53 2.15 113.55 123.60 3ikm h SER 1055Ca 0.26 -0.45 0.03 0.00 -0.47 0.00 0.00 61.79 61.16 3ikm h SER 1055Cb 0.23 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3ikm h SER 1055CO -0.08 1.22 0.14 -0.33 -0.87 0.00 0.00 176.83 176.91 3ikm h GLU 1056N 0.53 0.00 0.00 4.77 3.07 0.50 1.14 114.58 124.60 3ikm h GLU 1056Ca -0.00 0.00 -0.37 0.00 -0.50 0.00 0.00 59.36 58.49 3ikm h GLU 1056Cb 1.18 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 29.03 3ikm h GLU 1056CO 0.12 0.00 -2.34 -1.33 -1.40 0.00 0.00 179.01 174.06 3ikm n MET 1057N -3.74 0.68 -0.30 2.33 2.81 -1.05 -4.05 117.12 113.80 3ikm n MET 1057Ca -0.00 0.06 0.13 0.00 -1.81 0.00 0.00 57.70 56.08 3ikm n MET 1057Cb 0.25 -1.55 0.30 0.00 -0.71 0.00 0.00 33.22 31.51 3ikm n MET 1057CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 3ikm h PHE 1058N 0.00 0.60 -2.58 2.03 -5.15 0.92 -3.38 116.94 109.39 3ikm h PHE 1058Ca -0.53 0.04 -0.57 0.00 -0.20 0.00 0.00 57.97 56.71 3ikm h PHE 1058Cb 2.14 -0.12 -0.02 0.00 0.22 0.00 0.00 35.95 38.17 3ikm h PHE 1058CO 0.01 -0.07 1.24 0.54 -2.00 0.00 0.00 178.31 178.03 3ikm s ASN 1059N -5.16 6.09 -0.02 -0.68 2.20 0.33 -4.40 114.94 113.30 3ikm s ASN 1059Ca -0.12 1.67 -0.02 0.00 -0.94 0.00 0.00 52.86 53.45 3ikm s ASN 1059Cb 0.25 -2.53 0.01 0.00 -2.00 0.00 0.00 41.25 36.98 3ikm s ASN 1059CO 0.78 -1.49 0.04 0.29 -2.94 0.00 0.00 177.10 173.78 3ikm n LYS 1060N 8.06 -1.94 -0.33 3.55 4.01 -1.26 -4.53 118.16 125.71 3ikm n LYS 1060Ca 0.22 1.73 0.03 0.00 -0.51 0.00 0.00 58.31 59.78 3ikm n LYS 1060Cb 0.45 -2.32 0.10 0.00 -0.51 0.00 0.00 35.03 32.75 3ikm n LYS 1060CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 3ikm h LEU 1061N 1.63 -1.00 0.00 -0.35 7.12 -1.90 -2.95 115.31 117.86 3ikm h LEU 1061Ca -0.09 0.28 0.00 0.00 0.13 0.00 0.00 57.88 58.20 3ikm h LEU 1061Cb 0.20 0.61 0.00 0.00 -0.53 0.00 0.00 40.66 40.94 3ikm h LEU 1061CO 0.00 -0.30 0.00 -0.62 -0.13 0.00 0.00 178.44 177.39 3ikm n GLU 1062N -5.55 0.00 -4.43 1.25 1.02 -1.26 -4.78 120.64 106.89 3ikm n GLU 1062Ca 0.13 0.40 -0.25 0.00 -0.02 0.00 0.00 57.16 57.42 3ikm n GLU 1062Cb 0.44 -0.92 -0.10 0.00 -0.02 0.00 0.00 31.44 30.84 3ikm n GLU 1062CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3ikm s SER 1063N -2.95 3.64 -0.24 1.62 0.15 -1.11 -5.07 113.70 109.73 3ikm s SER 1063Ca 0.00 -0.92 0.01 0.00 0.70 0.00 0.00 55.95 55.74 3ikm s SER 1063Cb 0.00 -0.35 0.06 0.00 -1.71 0.00 0.00 66.02 64.03 3ikm s SER 1063CO 0.00 0.07 -0.05 -0.51 1.20 0.00 0.00 173.24 173.95 3ikm s ILE 1064N -2.17 1.59 -0.48 6.45 2.07 -1.26 -4.47 121.20 122.94 3ikm s ILE 1064Ca 0.27 -1.31 0.00 0.00 -1.41 0.00 0.00 60.65 58.20 3ikm s ILE 1064Cb -0.06 -1.87 0.00 0.00 0.13 0.00 0.00 42.46 40.66 3ikm s ILE 1064CO 0.14 -0.14 0.00 0.00 -1.91 0.00 0.00 174.94 173.03 3ikm n ALA 1065N 4.64 -0.07 -1.53 1.50 0.00 -1.26 -4.78 120.51 119.01 3ikm n ALA 1065Ca -0.11 0.07 -0.32 0.00 0.00 0.00 0.00 53.44 53.08 3ikm n ALA 1065Cb 0.44 -1.34 -0.10 0.00 0.00 0.00 0.00 19.45 18.44 3ikm n ALA 1065CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3ikm n THR 1066N -1.75 -0.04 -3.44 0.00 5.66 -1.26 -4.41 114.28 109.04 3ikm n THR 1066Ca -0.04 -0.47 -0.26 0.00 -3.05 0.00 0.00 64.05 60.22 3ikm n THR 1066Cb 0.44 -1.62 -0.09 0.00 -1.55 0.00 0.00 70.33 67.52 3ikm n THR 1066CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3ikm n SER 1067N 13.43 2.26 0.00 1.09 3.41 -1.26 -2.43 113.62 130.13 3ikm n SER 1067Ca 0.51 -3.10 0.00 0.00 -0.26 0.00 0.00 58.87 56.03 3ikm n SER 1067Cb 0.32 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 3ikm n SER 1067CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3ikm n ASP 1068N 1.39 0.00 0.00 4.04 9.92 -1.26 -4.54 116.55 126.09 3ikm n ASP 1068Ca 0.26 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.52 3ikm n ASP 1068Cb 0.44 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.92 3ikm n ASP 1068CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3ikm n ILE 1069N 0.00 0.00 -2.00 0.53 3.06 -1.26 -3.95 119.36 115.74 3ikm n ILE 1069Ca 0.00 0.65 -0.26 0.00 -2.50 0.00 0.00 62.75 60.64 3ikm n ILE 1069Cb 0.00 -1.58 -0.05 0.00 0.54 0.00 0.00 39.64 38.55 3ikm n ILE 1069CO 0.00 0.00 0.00 -2.84 -2.50 0.00 0.00 176.55 171.21 3ikm s PRO 1070N -0.31 2.47 -1.25 9.51 0.02 -1.26 -4.92 135.00 139.26 3ikm s PRO 1070Ca 0.00 -0.16 -0.19 0.00 0.02 0.00 0.00 61.00 60.67 3ikm s PRO 1070Cb 0.00 -5.00 0.06 0.00 0.02 0.00 0.00 34.50 29.58 3ikm s PRO 1070CO 0.00 -3.44 1.71 1.03 -0.33 0.00 0.00 177.00 175.98 3ikm s ARG 1071N 7.18 3.82 -0.11 5.54 0.52 -1.25 -4.57 118.95 130.07 3ikm s ARG 1071Ca 0.72 -1.80 0.00 0.00 -0.52 0.00 0.00 55.73 54.13 3ikm s ARG 1071Cb -0.08 -5.49 -0.25 0.00 0.52 0.00 0.00 34.95 29.66 3ikm s ARG 1071CO 0.01 -2.38 0.40 2.41 0.02 0.00 0.00 175.30 175.76 3ikm n THR 1072N 6.58 1.70 0.00 0.02 -1.04 -1.02 -4.77 114.28 115.75 3ikm n THR 1072Ca 0.46 -0.70 0.00 0.00 -2.04 0.00 0.00 64.05 61.78 3ikm n THR 1072Cb 0.47 -1.47 0.00 0.00 -1.82 0.00 0.00 70.33 67.51 3ikm n THR 1072CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3ikm n PRO 1073N -3.32 0.00 0.00 -2.82 -0.02 -1.23 -5.01 135.00 122.60 3ikm n PRO 1073Ca -0.29 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.19 3ikm n PRO 1073Cb 1.05 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.53 3ikm n PRO 1073CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3ikm n VAL 1074N 0.00 0.00 -1.75 -1.45 0.24 -1.26 -4.82 118.33 109.29 3ikm n VAL 1074Ca 0.00 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 61.94 3ikm n VAL 1074Cb 0.00 0.00 0.03 0.00 -1.47 0.00 0.00 33.84 32.40 3ikm n VAL 1074CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3ikm n GLU 1090N 0.00 2.65 -3.46 7.34 4.07 -1.26 -4.99 120.64 124.99 3ikm n GLU 1090Ca 0.00 -3.22 -0.21 0.00 -0.06 0.00 0.00 57.16 53.67 3ikm n GLU 1090Cb 0.00 -2.23 0.07 0.00 -0.06 0.00 0.00 31.44 29.22 3ikm n GLU 1090CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 3ikm n GLU 1091N -0.29 -7.06 0.00 5.31 1.02 -1.26 -4.96 120.64 113.40 3ikm n GLU 1091Ca 0.53 0.76 0.00 0.00 -0.02 0.00 0.00 57.16 58.43 3ikm n GLU 1091Cb 0.34 -5.59 0.00 0.00 -0.02 0.00 0.00 31.44 26.18 3ikm n GLU 1091CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3ikm n PHE 1092N -4.62 0.00 0.00 -0.32 0.99 -1.26 -4.50 117.46 107.75 3ikm n PHE 1092Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.41 3ikm n PHE 1092Cb 0.57 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.05 3ikm n PHE 1092CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.76 175.43 3ikm n MET 1093N 0.00 0.00 -0.10 -1.08 2.81 -1.26 -4.52 117.12 112.96 3ikm n MET 1093Ca 0.00 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 55.94 3ikm n MET 1093Cb 0.00 0.00 0.10 0.00 -0.71 0.00 0.00 33.22 32.61 3ikm n MET 1093CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3ikm n THR 1094N 0.00 -0.13 0.10 2.03 -1.04 -1.26 0.14 114.28 114.12 3ikm n THR 1094Ca 0.00 0.65 -0.04 0.00 -2.04 0.00 0.00 64.05 62.62 3ikm n THR 1094Cb 0.00 -0.97 -0.02 0.00 -1.82 0.00 0.00 70.33 67.52 3ikm n THR 1094CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 3ikm h SER 1095N 0.00 -0.23 -0.61 8.00 0.87 -1.94 -0.17 113.55 119.47 3ikm h SER 1095Ca 0.19 0.01 0.10 0.00 -1.23 0.00 0.00 61.79 60.86 3ikm h SER 1095Cb 0.42 0.06 -0.11 0.00 -0.44 0.00 0.00 62.40 62.33 3ikm h SER 1095CO -0.27 -0.12 -0.40 0.03 -0.53 0.00 0.00 176.83 175.54 3ikm h ARG 1096N -0.37 -0.18 -0.24 2.24 3.08 -0.54 0.16 114.38 118.52 3ikm h ARG 1096Ca -0.03 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.07 3ikm h ARG 1096Cb 0.21 0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.23 3ikm h ARG 1096CO 0.05 -0.12 -0.54 0.28 -1.07 0.00 0.00 179.97 178.56 3ikm h VAL 1097N -0.19 0.01 -0.56 2.04 2.07 -0.85 0.24 116.25 119.02 3ikm h VAL 1097Ca 0.21 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.83 3ikm h VAL 1097Cb 0.56 0.01 -0.11 0.00 -1.52 0.00 0.00 31.29 30.23 3ikm h VAL 1097CO -0.71 0.00 -0.27 -1.13 0.02 0.00 0.00 177.57 175.49 3ikm h ASN 1098N -0.50 -0.92 -0.80 0.57 -0.73 0.97 0.31 115.58 114.46 3ikm h ASN 1098Ca 0.05 0.20 0.15 0.00 1.87 0.00 0.00 56.30 58.57 3ikm h ASN 1098Cb 0.65 0.49 -0.10 0.00 0.27 0.00 0.00 38.32 39.63 3ikm h ASN 1098CO -0.50 -0.27 0.37 -0.50 -0.37 0.00 0.00 177.43 176.15 3ikm h TRP 1099N -0.13 0.63 -0.66 0.67 -0.00 0.11 -0.36 115.95 116.21 3ikm h TRP 1099Ca 0.24 0.04 -0.01 0.00 -0.00 0.00 0.00 58.89 59.16 3ikm h TRP 1099Cb 0.52 -0.16 -0.03 0.00 -0.00 0.00 0.00 29.16 29.49 3ikm h TRP 1099CO -0.57 0.11 0.36 0.28 -0.00 0.00 0.00 178.44 178.63 3ikm h VAL 1100N 0.52 1.21 -0.43 1.49 2.07 0.28 -2.48 116.25 118.91 3ikm h VAL 1100Ca 0.44 -0.53 0.06 0.00 0.82 0.00 0.00 66.70 67.49 3ikm h VAL 1100Cb 0.66 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 3ikm h VAL 1100CO -0.39 0.23 0.14 0.58 0.02 0.00 0.00 177.57 178.15 3ikm h VAL 1101N 0.91 0.85 -0.07 2.57 2.07 0.38 -2.51 116.25 120.45 3ikm h VAL 1101Ca 0.23 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.69 3ikm h VAL 1101Cb 0.04 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 3ikm h VAL 1101CO -0.04 0.05 -0.24 1.56 0.02 0.00 0.00 177.57 178.93 3ikm h GLN 1102N 0.29 -0.32 0.00 1.57 7.50 -0.96 -2.84 115.11 120.35 3ikm h GLN 1102Ca 0.20 0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.37 3ikm h GLN 1102Cb 0.21 0.07 0.00 0.00 0.05 0.00 0.00 27.48 27.81 3ikm h GLN 1102CO -0.22 -0.21 0.00 0.43 -1.50 0.00 0.00 178.83 177.33 3ikm n SER 1103N -5.36 0.00 -0.21 1.46 7.64 -0.96 -0.45 113.62 115.74 3ikm n SER 1103Ca -0.04 0.82 0.04 0.00 1.01 0.00 0.00 58.87 60.71 3ikm n SER 1103Cb 0.28 -0.32 0.09 0.00 -1.01 0.00 0.00 64.21 63.24 3ikm n SER 1103CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3ikm n SER 1104N -2.29 -0.20 0.06 6.43 3.41 -1.14 0.18 113.62 120.08 3ikm n SER 1104Ca 0.00 1.00 -0.12 0.00 -0.26 0.00 0.00 58.87 59.49 3ikm n SER 1104Cb 0.00 -0.31 -0.07 0.00 -0.26 0.00 0.00 64.21 63.57 3ikm n SER 1104CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ikm h ALA 1105N 1.16 -0.06 -0.18 7.33 0.00 -0.52 -0.86 119.26 126.15 3ikm h ALA 1105Ca 0.29 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.21 3ikm h ALA 1105Cb 0.45 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 3ikm h ALA 1105CO -0.59 -0.53 -0.36 0.28 0.00 0.00 0.00 179.25 178.04 3ikm h VAL 1106N -0.07 0.00 -0.53 0.00 2.07 0.43 -0.08 116.25 118.08 3ikm h VAL 1106Ca -0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.56 3ikm h VAL 1106Cb 0.05 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.75 3ikm h VAL 1106CO 0.01 0.00 -0.37 0.44 0.02 0.00 0.00 177.57 177.67 3ikm h ASP 1107N -0.33 -1.32 0.00 0.57 5.19 -0.95 0.11 116.42 119.70 3ikm h ASP 1107Ca 0.03 0.19 0.00 0.00 -0.62 0.00 0.00 57.03 56.64 3ikm h ASP 1107Cb 0.42 0.57 0.00 0.00 0.18 0.00 0.00 39.33 40.50 3ikm h ASP 1107CO -0.34 -0.17 0.00 0.00 -3.12 0.00 0.00 179.24 175.61 3ikm n TYR 1108N -4.41 0.00 -0.30 4.55 9.36 -0.18 0.13 117.16 126.31 3ikm n TYR 1108Ca 0.00 0.00 0.09 0.00 3.32 0.00 0.00 57.90 61.31 3ikm n TYR 1108Cb 0.18 -0.17 0.20 0.00 -0.63 0.00 0.00 39.34 38.92 3ikm n TYR 1108CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 3ikm h LEU 1109N 0.00 -0.46 0.02 2.98 7.12 -0.68 0.13 115.31 124.42 3ikm h LEU 1109Ca 0.00 0.24 0.02 0.00 0.13 0.00 0.00 57.88 58.27 3ikm h LEU 1109Cb 0.00 0.43 -0.05 0.00 -0.53 0.00 0.00 40.66 40.50 3ikm h LEU 1109CO 0.00 -0.26 -0.52 0.45 -0.13 0.00 0.00 178.44 177.98 3ikm h HIS 1110N 0.06 -1.52 -0.16 1.25 3.86 0.37 0.31 115.15 119.32 3ikm h HIS 1110Ca 0.49 0.05 0.05 0.00 -1.16 0.00 0.00 60.37 59.79 3ikm h HIS 1110Cb 0.91 0.66 -0.07 0.00 1.06 0.00 0.00 27.41 29.97 3ikm h HIS 1110CO -0.49 -0.57 -0.39 -0.07 0.86 0.00 0.00 177.93 177.27 3ikm h LEU 1111N -0.67 -1.24 0.00 2.43 4.07 0.13 -0.98 115.31 119.05 3ikm h LEU 1111Ca 0.02 0.17 0.00 0.00 0.08 0.00 0.00 57.88 58.15 3ikm h LEU 1111Cb 0.72 0.51 0.00 0.00 1.08 0.00 0.00 40.66 42.98 3ikm h LEU 1111CO -0.34 -0.40 0.00 0.80 -1.08 0.00 0.00 178.44 177.41 3ikm n MET 1112N -5.43 0.00 -0.29 1.13 1.56 0.29 -1.18 117.12 113.20 3ikm n MET 1112Ca -0.03 0.94 0.10 0.00 -0.27 0.00 0.00 57.70 58.44 3ikm n MET 1112Cb 0.35 -1.48 0.24 0.00 2.15 0.00 0.00 33.22 34.48 3ikm n MET 1112CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 3ikm h LEU 1113N 0.00 -0.22 -0.07 -0.89 3.38 0.01 -1.52 115.31 116.00 3ikm h LEU 1113Ca 0.00 0.21 0.04 0.00 0.09 0.00 0.00 57.88 58.22 3ikm h LEU 1113Cb 0.00 0.33 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 3ikm h LEU 1113CO 0.00 -0.20 -0.35 0.58 0.09 0.00 0.00 178.44 178.56 3ikm h VAL 1114N 0.13 0.24 -0.10 1.22 2.07 0.22 0.34 116.25 120.38 3ikm h VAL 1114Ca 0.51 0.00 0.03 0.00 0.82 0.00 0.00 66.70 68.06 3ikm h VAL 1114Cb 0.98 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 3ikm h VAL 1114CO -0.70 0.00 -0.13 0.00 0.02 0.00 0.00 177.57 176.76 3ikm h ALA 1115N 0.25 -0.07 -0.03 1.67 0.00 -0.55 -0.02 119.26 120.50 3ikm h ALA 1115Ca 0.07 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3ikm h ALA 1115Cb 0.58 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 3ikm h ALA 1115CO -0.33 -0.59 -0.02 0.52 0.00 0.00 0.00 179.25 178.82 3ikm h MET 1116N -0.17 -0.01 -0.68 0.00 2.07 -0.50 -0.11 114.93 115.53 3ikm h MET 1116Ca 0.08 0.00 0.11 0.00 -2.07 0.00 0.00 59.70 57.82 3ikm h MET 1116Cb 0.29 0.00 -0.12 0.00 -1.87 0.00 0.00 31.60 29.89 3ikm h MET 1116CO -0.20 -0.00 -0.38 0.87 1.07 0.00 0.00 176.91 178.27 3ikm h LYS 1117N -0.01 -0.14 0.00 1.72 1.57 -0.75 -1.05 116.57 117.92 3ikm h LYS 1117Ca 0.01 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3ikm h LYS 1117Cb 0.02 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3ikm h LYS 1117CO -0.03 -0.09 0.00 1.87 -0.57 0.00 0.00 179.45 180.63 3ikm n TRP 1118N -5.43 0.00 -0.33 -1.35 -0.00 -0.04 -0.87 117.44 109.42 3ikm n TRP 1118Ca 0.05 0.00 0.23 0.00 -0.00 0.00 0.00 57.50 57.78 3ikm n TRP 1118Cb 0.36 -0.30 0.46 0.00 -0.00 0.00 0.00 31.31 31.83 3ikm n TRP 1118CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 3ikm h LEU 1119N 0.00 0.40 -0.39 5.87 3.38 -0.83 0.44 115.31 124.18 3ikm h LEU 1119Ca 0.00 0.20 0.05 0.00 0.09 0.00 0.00 57.88 58.22 3ikm h LEU 1119Cb 0.00 0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 3ikm h LEU 1119CO 0.00 -0.18 0.14 -0.26 0.09 0.00 0.00 178.44 178.23 3ikm h PHE 1120N 0.26 0.25 -0.54 1.13 -1.00 0.26 -0.26 116.94 117.05 3ikm h PHE 1120Ca 0.72 0.02 -0.09 0.00 2.81 0.00 0.00 57.97 61.43 3ikm h PHE 1120Cb 1.65 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 41.14 3ikm h PHE 1120CO -0.06 0.10 -0.01 1.05 -1.61 0.00 0.00 178.31 177.79 3ikm h GLU 1121N 0.30 0.96 -3.59 1.51 4.11 0.16 -3.18 114.58 114.85 3ikm h GLU 1121Ca 0.18 -0.31 -0.20 0.00 0.07 0.00 0.00 59.36 59.09 3ikm h GLU 1121Cb 0.15 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.33 3ikm h GLU 1121CO -0.18 0.98 1.78 0.39 0.07 0.00 0.00 179.01 182.05 3ikm n GLU 1122N -4.26 1.15 0.00 1.06 -0.58 0.11 -4.74 120.64 113.38 3ikm n GLU 1122Ca 0.02 -0.99 0.00 0.00 -0.42 0.00 0.00 57.16 55.77 3ikm n GLU 1122Cb 0.34 -2.21 0.00 0.00 -0.57 0.00 0.00 31.44 29.00 3ikm n GLU 1122CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3ikm n PHE 1123N 4.40 0.00 -1.59 -0.32 3.01 -1.23 -4.89 117.46 116.85 3ikm n PHE 1123Ca 0.25 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.57 3ikm n PHE 1123Cb 0.09 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.51 3ikm n PHE 1123CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3ikm n ALA 1124N -1.09 -0.31 -1.66 4.37 0.00 -1.26 -4.59 120.51 115.97 3ikm n ALA 1124Ca 0.00 0.21 -0.50 0.00 0.00 0.00 0.00 53.44 53.15 3ikm n ALA 1124Cb 0.00 -1.49 -0.05 0.00 0.00 0.00 0.00 19.45 17.91 3ikm n ALA 1124CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 3ikm n ILE 1125N -2.20 0.20 0.00 0.00 3.06 -1.20 -4.91 119.36 114.31 3ikm n ILE 1125Ca -0.14 -0.04 0.00 0.00 -2.50 0.00 0.00 62.75 60.07 3ikm n ILE 1125Cb 0.49 -1.42 0.00 0.00 0.54 0.00 0.00 39.64 39.25 3ikm n ILE 1125CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 3ikm n ASP 1126N 4.38 3.91 0.00 9.51 9.92 -1.26 -5.02 116.55 137.98 3ikm n ASP 1126Ca 0.20 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.46 3ikm n ASP 1126Cb 0.24 0.18 0.00 0.00 -0.64 0.00 0.00 41.12 40.90 3ikm n ASP 1126CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3ikm n GLY 1127N 3.05 0.97 0.00 0.44 0.00 -1.25 -3.12 105.19 105.29 3ikm n GLY 1127Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.42 3ikm n GLY 1127CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3ikm n ARG 1128N 0.00 -0.84 -3.13 1.61 3.00 -1.12 -5.03 116.66 111.15 3ikm n ARG 1128Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.78 3ikm n ARG 1128Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 32.46 32.48 3ikm n ARG 1128CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.63 179.60 3ikm n PHE 1129N 4.73 -2.03 -0.00 -0.14 1.16 -1.26 0.05 117.46 119.97 3ikm n PHE 1129Ca 0.00 -1.41 0.01 0.00 -1.87 0.00 0.00 57.45 54.18 3ikm n PHE 1129Cb 0.00 0.71 -0.03 0.00 -1.61 0.00 0.00 39.48 38.55 3ikm n PHE 1129CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3ikm s ILE 1131N -2.20 0.22 -0.56 0.00 -0.00 -1.25 -4.18 121.20 113.22 3ikm s ILE 1131Ca -0.01 0.22 0.01 0.00 -0.00 0.00 0.00 60.65 60.87 3ikm s ILE 1131Cb 0.02 -0.40 0.14 0.00 -0.00 0.00 0.00 42.46 42.22 3ikm s ILE 1131CO 0.14 0.23 0.33 -0.55 -0.00 0.00 0.00 174.94 175.10 3ikm s SER 1132N 2.02 4.69 0.28 4.36 0.15 -0.97 -1.62 113.70 122.61 3ikm s SER 1132Ca 0.05 -2.95 0.00 0.00 0.70 0.00 0.00 55.95 53.75 3ikm s SER 1132Cb -0.12 -1.73 -0.04 0.00 -1.71 0.00 0.00 66.02 62.42 3ikm s SER 1132CO -0.04 -0.29 0.47 -0.63 1.20 0.00 0.00 173.24 173.95 3ikm s ILE 1133N -0.20 5.16 -0.81 6.45 1.09 -0.10 -4.68 121.20 128.11 3ikm s ILE 1133Ca 0.17 -0.47 -0.32 0.00 -1.10 0.00 0.00 60.65 58.93 3ikm s ILE 1133Cb -0.23 -3.81 -0.18 0.00 -1.06 0.00 0.00 42.46 37.17 3ikm s ILE 1133CO -0.01 -0.38 2.55 0.00 -0.10 0.00 0.00 174.94 177.00 3ikm n HIS 1134N -1.29 0.85 -0.79 3.97 1.44 -1.26 0.44 115.22 118.59 3ikm n HIS 1134Ca -0.05 0.37 0.00 0.00 -2.01 0.00 0.00 57.72 56.03 3ikm n HIS 1134Cb 0.55 -2.43 0.00 0.00 0.12 0.00 0.00 29.99 28.24 3ikm n HIS 1134CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3ikm n ASP 1135N 11.07 -2.36 -4.17 4.39 9.92 -1.26 -4.96 116.55 129.18 3ikm n ASP 1135Ca 0.58 0.00 -0.20 0.00 -0.53 0.00 0.00 54.79 54.64 3ikm n ASP 1135Cb 0.13 -0.39 -0.13 0.00 -0.64 0.00 0.00 41.12 40.08 3ikm n ASP 1135CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 3ikm s GLU 1136N -1.40 0.96 -0.43 -1.24 8.01 1.51 -3.85 118.70 122.26 3ikm s GLU 1136Ca 0.00 -0.84 0.05 0.00 0.01 0.00 0.00 54.97 54.19 3ikm s GLU 1136Cb 0.00 -0.99 0.17 0.00 -4.31 0.00 0.00 34.13 29.00 3ikm s GLU 1136CO 0.00 0.24 0.50 0.08 0.01 0.00 0.00 175.26 176.09 3ikm s VAL 1137N -0.95 -0.45 -0.30 2.63 1.01 -0.64 -0.92 120.40 120.78 3ikm s VAL 1137Ca 0.02 -1.24 -0.14 0.00 0.00 0.00 0.00 61.98 60.61 3ikm s VAL 1137Cb -0.09 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.73 3ikm s VAL 1137CO 0.02 -0.50 0.31 -0.13 0.00 0.00 0.00 175.10 174.80 3ikm s ARG 1138N 1.01 3.79 0.02 2.72 1.81 -1.19 -2.32 118.95 124.79 3ikm s ARG 1138Ca 0.24 -0.27 -0.10 0.00 -1.72 0.00 0.00 55.73 53.87 3ikm s ARG 1138Cb -0.06 -3.72 -0.05 0.00 -0.45 0.00 0.00 34.95 30.67 3ikm s ARG 1138CO -0.07 -0.36 0.35 0.71 -0.68 0.00 0.00 175.30 175.24 3ikm s TYR 1139N 1.95 3.63 -0.11 -0.53 1.51 2.69 -3.22 117.35 123.26 3ikm s TYR 1139Ca 0.11 0.78 -0.05 0.00 -1.01 0.00 0.00 57.07 56.89 3ikm s TYR 1139Cb -0.16 -2.14 -0.04 0.00 -0.11 0.00 0.00 41.96 39.51 3ikm s TYR 1139CO 0.11 0.60 0.09 -1.17 -1.11 0.00 0.00 175.55 174.07 3ikm s LEU 1140N -1.53 4.12 -0.01 -1.29 0.20 0.11 0.21 118.68 120.48 3ikm s LEU 1140Ca 0.27 0.35 0.01 0.00 0.69 0.00 0.00 54.13 55.45 3ikm s LEU 1140Cb -0.14 -1.99 0.01 0.00 -0.43 0.00 0.00 46.19 43.64 3ikm s LEU 1140CO 0.15 0.39 -0.01 -0.69 -0.29 0.00 0.00 176.35 175.90 3ikm s VAL 1141N -0.92 0.14 0.28 1.68 1.01 -0.69 -2.80 120.40 119.10 3ikm s VAL 1141Ca 0.14 -0.01 -0.29 0.00 0.00 0.00 0.00 61.98 61.81 3ikm s VAL 1141Cb -0.12 -0.17 -0.14 0.00 0.00 0.00 0.00 36.38 35.96 3ikm s VAL 1141CO 0.03 0.07 1.20 0.54 0.00 0.00 0.00 175.10 176.94 3ikm n ARG 1142N 3.42 1.69 -0.32 2.72 1.74 -1.18 -2.04 116.66 122.69 3ikm n ARG 1142Ca -0.18 0.60 -0.00 0.00 -0.77 0.00 0.00 57.85 57.50 3ikm n ARG 1142Cb 0.56 -2.10 0.06 0.00 -1.02 0.00 0.00 32.46 29.96 3ikm n ARG 1142CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 3ikm h GLU 1143N 2.84 -0.04 -7.37 5.56 4.81 -1.54 -3.34 114.58 115.50 3ikm h GLU 1143Ca -0.43 0.00 -0.44 0.00 -0.13 0.00 0.00 59.36 58.36 3ikm h GLU 1143Cb 1.31 0.01 0.17 0.00 0.63 0.00 0.00 28.75 30.87 3ikm h GLU 1143CO 0.66 -0.03 0.17 -1.83 -0.73 0.00 0.00 179.01 177.26 3ikm s GLU 1144N -6.07 -0.09 0.00 1.92 -1.05 -1.26 -2.76 118.70 109.39 3ikm s GLU 1144Ca -0.14 0.33 0.00 0.00 -0.15 0.00 0.00 54.97 55.01 3ikm s GLU 1144Cb 0.21 -1.69 0.00 0.00 -0.44 0.00 0.00 34.13 32.21 3ikm s GLU 1144CO 0.73 -3.04 0.00 -0.25 0.95 0.00 0.00 175.26 173.65 3ikm n ASP 1145N -4.36 -0.05 0.07 0.83 9.92 -1.26 -4.83 116.55 116.87 3ikm n ASP 1145Ca 0.07 0.00 0.09 0.00 -0.53 0.00 0.00 54.79 54.43 3ikm n ASP 1145Cb 0.58 -0.99 0.40 0.00 -0.64 0.00 0.00 41.12 40.47 3ikm n ASP 1145CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3ikm n ARG 1146N -1.99 0.10 -0.05 -1.24 5.12 -1.11 -2.31 116.66 115.17 3ikm n ARG 1146Ca 0.00 0.34 -0.16 0.00 -1.93 0.00 0.00 57.85 56.11 3ikm n ARG 1146Cb 0.00 -1.69 -0.14 0.00 -1.16 0.00 0.00 32.46 29.48 3ikm n ARG 1146CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 3ikm n TYR 1147N -1.87 0.69 -0.05 -1.55 0.53 -1.26 -2.50 117.16 111.14 3ikm n TYR 1147Ca 0.03 0.18 0.00 0.00 -1.02 0.00 0.00 57.90 57.09 3ikm n TYR 1147Cb 0.20 -1.10 0.30 0.00 -1.03 0.00 0.00 39.34 37.70 3ikm n TYR 1147CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3ikm h ARG 1148N 0.03 0.63 0.93 -0.72 -0.00 -1.93 0.17 114.38 113.49 3ikm h ARG 1148Ca -0.45 -0.10 -0.05 0.00 -0.50 0.00 0.00 59.98 58.88 3ikm h ARG 1148Cb 2.03 -0.11 0.01 0.00 0.00 0.00 0.00 29.97 31.90 3ikm h ARG 1148CO 0.03 0.56 -0.45 0.00 0.00 0.00 0.00 179.97 180.12 3ikm h ALA 1149N 1.52 -1.25 -0.69 0.04 0.00 -1.56 0.14 119.26 117.46 3ikm h ALA 1149Ca 0.15 -0.27 0.11 0.00 0.00 0.00 0.00 54.91 54.89 3ikm h ALA 1149Cb 0.20 0.48 -0.12 0.00 0.00 0.00 0.00 17.79 18.35 3ikm h ALA 1149CO -0.01 -1.19 -0.37 0.00 0.00 0.00 0.00 179.25 177.68 3ikm h ALA 1150N -1.20 -0.07 0.06 0.00 0.00 -1.11 0.36 119.26 117.30 3ikm h ALA 1150Ca -0.13 0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3ikm h ALA 1150Cb 0.96 0.89 -0.05 0.00 0.00 0.00 0.00 17.79 19.58 3ikm h ALA 1150CO 0.21 -0.70 -0.45 -0.07 0.00 0.00 0.00 179.25 178.23 3ikm h LEU 1151N -0.14 -1.37 -0.63 0.00 3.38 -0.37 0.14 115.31 116.33 3ikm h LEU 1151Ca 0.25 0.16 0.13 0.00 0.09 0.00 0.00 57.88 58.50 3ikm h LEU 1151Cb 0.56 0.52 -0.12 0.00 0.09 0.00 0.00 40.66 41.72 3ikm h LEU 1151CO -0.76 -0.50 -0.11 0.00 0.09 0.00 0.00 178.44 177.16 3ikm h ALA 1152N -0.22 0.48 0.20 1.53 0.00 0.81 0.84 119.26 122.90 3ikm h ALA 1152Ca 0.03 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3ikm h ALA 1152Cb 0.69 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 3ikm h ALA 1152CO -0.29 -0.42 -0.45 -0.07 0.00 0.00 0.00 179.25 178.02 3ikm h LEU 1153N 0.03 -1.32 -0.43 0.00 3.38 0.11 0.77 115.31 117.85 3ikm h LEU 1153Ca 0.31 0.13 0.08 0.00 0.09 0.00 0.00 57.88 58.49 3ikm h LEU 1153Cb 0.49 0.47 -0.08 0.00 0.09 0.00 0.00 40.66 41.63 3ikm h LEU 1153CO -0.62 -0.51 -0.05 -0.61 0.09 0.00 0.00 178.44 176.75 3ikm h GLN 1154N -0.71 0.06 0.00 1.13 4.15 -0.21 -2.51 115.11 117.02 3ikm h GLN 1154Ca -0.02 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3ikm h GLN 1154Cb 0.68 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.36 3ikm h GLN 1154CO -0.19 0.04 0.00 -0.89 -1.93 0.00 0.00 178.83 175.86 3ikm n ILE 1155N -5.26 0.00 -0.33 2.39 2.08 0.24 -0.04 119.36 118.44 3ikm n ILE 1155Ca 0.03 1.46 0.29 0.00 0.56 0.00 0.00 62.75 65.09 3ikm n ILE 1155Cb 0.23 -2.12 0.49 0.00 -0.75 0.00 0.00 39.64 37.49 3ikm n ILE 1155CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 3ikm n THR 1156N -2.54 -0.22 0.00 1.39 -1.04 0.22 -1.00 114.28 111.08 3ikm n THR 1156Ca 0.00 1.38 0.00 0.00 -2.04 0.00 0.00 64.05 63.39 3ikm n THR 1156Cb 0.00 -2.26 0.00 0.00 -1.82 0.00 0.00 70.33 66.25 3ikm n THR 1156CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3ikm n ASN 1157N -4.30 0.00 0.00 8.00 3.02 0.94 -1.01 115.26 121.91 3ikm n ASN 1157Ca 0.30 0.85 0.00 0.00 -0.03 0.00 0.00 54.58 55.70 3ikm n ASN 1157Cb 1.12 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 39.94 3ikm n ASN 1157CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ikm n LEU 1158N -1.58 0.00 -0.36 3.41 -0.00 -0.17 -0.99 117.00 117.31 3ikm n LEU 1158Ca 0.00 0.83 -0.06 0.00 -0.00 0.00 0.00 56.01 56.78 3ikm n LEU 1158Cb 0.00 -0.35 -0.04 0.00 -0.00 0.00 0.00 43.42 43.03 3ikm n LEU 1158CO 0.00 -0.35 0.46 0.18 -0.00 0.00 0.00 177.39 177.68 3ikm n LEU 1159N -2.43 -0.79 0.06 1.47 4.77 -1.10 -0.25 117.00 118.73 3ikm n LEU 1159Ca 0.00 1.55 -0.13 0.00 -0.03 0.00 0.00 56.01 57.41 3ikm n LEU 1159Cb 0.00 -0.26 -0.06 0.00 -2.33 0.00 0.00 43.42 40.77 3ikm n LEU 1159CO 0.00 -1.32 0.60 0.74 -1.33 0.00 0.00 177.39 176.09 3ikm h THR 1160N 0.00 0.19 -0.88 -5.08 2.02 0.23 0.25 112.91 109.63 3ikm h THR 1160Ca 0.21 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.52 3ikm h THR 1160Cb 0.43 0.19 -0.09 0.00 -1.74 0.00 0.00 68.15 66.94 3ikm h THR 1160CO -0.85 0.00 0.50 0.03 0.37 0.00 0.00 175.52 175.57 3ikm h ARG 1161N -0.54 0.73 0.00 6.66 -0.00 0.47 -0.55 114.38 121.15 3ikm h ARG 1161Ca 0.05 -0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.49 3ikm h ARG 1161Cb 0.63 -0.16 0.00 0.00 0.00 0.00 0.00 29.97 30.43 3ikm h ARG 1161CO -0.31 0.48 0.00 0.00 0.00 0.00 0.00 179.97 180.14 3ikm h MET 1163N 0.00 0.03 -0.35 0.00 -0.00 -1.07 1.81 114.93 115.36 3ikm h MET 1163Ca 0.00 -0.00 0.08 0.00 -0.00 0.00 0.00 59.70 59.78 3ikm h MET 1163Cb 0.00 -0.01 -0.08 0.00 -0.00 0.00 0.00 31.60 31.51 3ikm h MET 1163CO 0.00 0.02 -0.23 0.35 -0.00 0.00 0.00 176.91 177.05 3ikm h PHE 1164N 0.03 -0.59 0.00 -0.10 3.57 -0.70 -1.12 116.94 118.03 3ikm h PHE 1164Ca 0.84 0.04 0.00 0.00 3.53 0.00 0.00 57.97 62.38 3ikm h PHE 1164Cb 2.23 0.31 0.00 0.00 2.79 0.00 0.00 35.95 41.28 3ikm h PHE 1164CO -0.01 -0.30 0.40 0.00 -2.23 0.00 0.00 178.31 176.17 3ikm n ALA 1165N -2.87 0.46 -0.07 2.41 0.00 0.62 -2.10 120.51 118.97 3ikm n ALA 1165Ca 0.01 0.09 -0.13 0.00 0.00 0.00 0.00 53.44 53.41 3ikm n ALA 1165Cb 0.30 -0.58 -0.05 0.00 0.00 0.00 0.00 19.45 19.11 3ikm n ALA 1165CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3ikm n TYR 1166N -1.92 0.00 0.02 0.00 4.02 -0.47 0.24 117.16 119.05 3ikm n TYR 1166Ca -0.01 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.77 3ikm n TYR 1166Cb 0.42 -0.51 -0.07 0.00 -0.02 0.00 0.00 39.34 39.16 3ikm n TYR 1166CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 3ikm h LYS 1167N -0.33 -0.45 -0.80 -0.72 1.79 -0.95 1.27 116.57 116.37 3ikm h LYS 1167Ca -0.34 0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.15 3ikm h LYS 1167Cb 1.36 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 32.11 3ikm h LYS 1167CO -0.16 -0.30 0.02 1.28 -1.08 0.00 0.00 179.45 179.21 3ikm n LEU 1168N -4.69 3.47 0.00 2.94 4.77 -0.89 -4.81 117.00 117.80 3ikm n LEU 1168Ca -0.05 -1.76 0.00 0.00 -0.03 0.00 0.00 56.01 54.16 3ikm n LEU 1168Cb 0.29 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 3ikm n LEU 1168CO 0.08 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 3ikm n GLY 1169N 0.28 3.42 2.56 -0.72 0.00 0.44 -4.75 105.19 106.42 3ikm n GLY 1169Ca 0.15 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 3ikm n GLY 1169CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ikm s LEU 1170N 0.00 1.23 -0.75 0.99 1.98 0.14 -4.32 118.68 117.94 3ikm s LEU 1170Ca 0.00 -1.85 -0.06 0.00 -2.89 0.00 0.00 54.13 49.33 3ikm s LEU 1170Cb 0.00 -0.53 0.06 0.00 0.66 0.00 0.00 46.19 46.39 3ikm s LEU 1170CO 0.00 -0.37 0.16 0.59 -1.89 0.00 0.00 176.35 174.85 3ikm n ASN 1171N 4.52 -0.34 0.00 3.68 3.02 -1.26 -4.58 115.26 120.30 3ikm n ASN 1171Ca 0.03 -0.54 0.00 0.00 -0.03 0.00 0.00 54.58 54.05 3ikm n ASN 1171Cb 0.39 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 38.88 3ikm n ASN 1171CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3ikm n ASP 1172N -0.76 0.00 -3.65 6.41 9.92 -1.26 -2.67 116.55 124.55 3ikm n ASP 1172Ca -0.02 0.00 -0.04 0.00 -0.53 0.00 0.00 54.79 54.20 3ikm n ASP 1172Cb 0.23 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.64 3ikm n ASP 1172CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3ikm s LEU 1173N 0.00 -0.21 0.11 0.64 1.43 -1.26 -4.94 118.68 114.45 3ikm s LEU 1173Ca 0.00 0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 53.46 3ikm s LEU 1173Cb 0.00 1.38 -0.02 0.00 0.03 0.00 0.00 46.19 47.58 3ikm s LEU 1173CO 0.00 -0.06 -0.09 -2.65 0.23 0.00 0.00 176.35 173.77 3ikm n PRO 1174N 2.16 0.00 -1.50 1.29 -0.02 -1.26 -4.79 135.00 130.88 3ikm n PRO 1174Ca -0.13 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.06 3ikm n PRO 1174Cb 0.57 -0.11 0.23 0.00 -0.02 0.00 0.00 33.50 34.16 3ikm n PRO 1174CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ikm n GLN 1175N 0.27 -2.17 -0.04 -0.52 10.64 -0.49 -3.42 117.38 121.64 3ikm n GLN 1175Ca -0.00 -1.92 0.00 0.00 -1.83 0.00 0.00 57.00 53.25 3ikm n GLN 1175Cb 0.06 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 27.94 3ikm n GLN 1175CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 3ikm n SER 1176N -4.34 0.00 0.01 2.61 3.41 -1.26 -4.06 113.62 109.99 3ikm n SER 1176Ca 0.16 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.67 3ikm n SER 1176Cb 0.58 -0.89 -0.14 0.00 -0.26 0.00 0.00 64.21 63.51 3ikm n SER 1176CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3ikm h VAL 1177N 0.00 1.07 -0.36 -3.33 2.07 -1.90 -3.01 116.25 110.79 3ikm h VAL 1177Ca 0.00 -2.86 -0.11 0.00 0.82 0.00 0.00 66.70 64.55 3ikm h VAL 1177Cb 0.00 2.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 3ikm h VAL 1177CO 0.00 0.67 -0.20 0.00 0.02 0.00 0.00 177.57 178.06 3ikm h ALA 1178N 0.87 0.51 -3.41 1.67 0.00 -1.70 -3.43 119.26 113.76 3ikm h ALA 1178Ca -0.23 -0.37 -0.66 0.00 0.00 0.00 0.00 54.91 53.66 3ikm h ALA 1178Cb 1.96 -0.12 -0.25 0.00 0.00 0.00 0.00 17.79 19.38 3ikm h ALA 1178CO 0.10 0.46 -0.74 -0.06 0.00 0.00 0.00 179.25 179.01 3ikm s PHE 1179N -4.58 2.84 0.00 0.00 0.40 -1.14 -3.01 117.98 112.50 3ikm s PHE 1179Ca -0.12 -0.50 0.00 0.00 -0.60 0.00 0.00 56.93 55.71 3ikm s PHE 1179Cb 0.10 -1.83 0.00 0.00 0.51 0.00 0.00 43.02 41.79 3ikm s PHE 1179CO 0.83 -0.11 0.00 0.34 0.70 0.00 0.00 175.22 176.98 3ikm n PHE 1180N 3.33 0.00 0.00 0.36 -0.00 -1.26 -4.56 117.46 115.32 3ikm n PHE 1180Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.27 3ikm n PHE 1180Cb 0.53 -0.16 0.00 0.00 -0.00 0.00 0.00 39.48 39.85 3ikm n PHE 1180CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 3ikm n SER 1181N 1.49 0.00 -3.58 -2.13 7.64 -1.26 -4.31 113.62 111.47 3ikm n SER 1181Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 3ikm n SER 1181Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 3ikm n SER 1181CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ikm s ALA 1182N -1.00 -1.94 -0.00 -0.43 0.00 -1.26 -4.46 121.76 112.67 3ikm s ALA 1182Ca 0.00 1.60 -0.21 0.00 0.00 0.00 0.00 51.96 53.35 3ikm s ALA 1182Cb 0.00 -0.76 -0.05 0.00 0.00 0.00 0.00 23.12 22.31 3ikm s ALA 1182CO 0.00 -0.30 0.62 0.08 0.00 0.00 0.00 175.76 176.16 3ikm s VAL 1183N -1.06 4.90 -0.27 0.00 1.01 -0.81 -4.71 120.40 119.45 3ikm s VAL 1183Ca -0.01 1.30 -0.10 0.00 0.00 0.00 0.00 61.98 63.17 3ikm s VAL 1183Cb -0.01 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 3ikm s VAL 1183CO 0.01 0.40 0.15 -1.81 0.00 0.00 0.00 175.10 173.86 3ikm s ASP 1184N -0.11 5.75 -0.17 3.32 1.11 -0.80 -0.31 116.67 125.46 3ikm s ASP 1184Ca 0.32 -0.09 -0.01 0.00 0.18 0.00 0.00 52.55 52.96 3ikm s ASP 1184Cb -0.18 -2.06 0.00 0.00 1.07 0.00 0.00 42.92 41.75 3ikm s ASP 1184CO 0.18 -0.05 -0.14 0.27 1.18 0.00 0.00 175.17 176.61 3ikm s ILE 1185N 1.71 2.73 0.30 0.77 -5.25 0.32 -1.27 121.20 120.52 3ikm s ILE 1185Ca 0.07 -0.73 -0.19 0.00 -0.99 0.00 0.00 60.65 58.80 3ikm s ILE 1185Cb -0.16 -2.17 0.06 0.00 2.95 0.00 0.00 42.46 43.14 3ikm s ILE 1185CO 0.09 0.50 0.86 -0.62 -1.79 0.00 0.00 174.94 173.98 3ikm s ASP 1186N 1.03 -0.04 -0.00 4.36 -1.08 -1.04 -2.16 116.67 117.74 3ikm s ASP 1186Ca -0.01 -0.90 0.15 0.00 -0.52 0.00 0.00 52.55 51.28 3ikm s ASP 1186Cb -0.15 0.72 -0.18 0.00 -1.46 0.00 0.00 42.92 41.85 3ikm s ASP 1186CO -0.03 -1.40 0.58 -2.11 0.52 0.00 0.00 175.17 172.73 3ikm n ARG 1187N -0.56 1.65 0.00 4.34 1.85 -1.26 0.26 116.66 122.94 3ikm n ARG 1187Ca -0.06 -0.03 0.00 0.00 -1.00 0.00 0.00 57.85 56.76 3ikm n ARG 1187Cb 0.60 -1.25 0.00 0.00 -1.05 0.00 0.00 32.46 30.76 3ikm n ARG 1187CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3ikm n LEU 1189N 0.00 0.65 -4.00 0.00 7.99 -1.26 -4.91 117.00 115.48 3ikm n LEU 1189Ca 0.00 -4.91 -0.18 0.00 -0.01 0.00 0.00 56.01 50.91 3ikm n LEU 1189Cb 0.00 0.67 -0.15 0.00 -0.11 0.00 0.00 43.42 43.84 3ikm n LEU 1189CO 0.00 2.21 -0.42 -0.60 -1.51 0.00 0.00 177.39 177.07 3ikm s ARG 1190N -2.01 0.64 -0.63 3.23 3.52 -1.26 -1.47 118.95 120.97 3ikm s ARG 1190Ca 0.38 -0.27 -0.26 0.00 -0.13 0.00 0.00 55.73 55.45 3ikm s ARG 1190Cb 0.29 -0.62 -0.11 0.00 -1.56 0.00 0.00 34.95 32.95 3ikm s ARG 1190CO -0.09 0.16 2.44 1.17 -0.81 0.00 0.00 175.30 178.16 3ikm n LYS 1191N 2.93 0.79 -0.45 5.12 3.00 -1.26 -1.94 118.16 126.36 3ikm n LYS 1191Ca -0.14 -0.20 0.00 0.00 -0.00 0.00 0.00 58.31 57.97 3ikm n LYS 1191Cb 0.57 -3.23 0.00 0.00 0.00 0.00 0.00 35.03 32.37 3ikm n LYS 1191CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 3ikm n GLU 1192N 8.79 0.00 0.00 1.64 0.00 -1.26 -5.03 120.64 124.78 3ikm n GLU 1192Ca 0.43 0.15 0.00 0.00 0.00 0.00 0.00 57.16 57.74 3ikm n GLU 1192Cb 0.46 -1.65 0.00 0.00 0.00 0.00 0.00 31.44 30.25 3ikm n GLU 1192CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 3ikm n VAL 1193N -2.45 0.00 -3.37 6.31 3.14 -0.82 -4.66 118.33 116.48 3ikm n VAL 1193Ca 0.00 0.00 -0.17 0.00 -2.96 0.00 0.00 64.34 61.21 3ikm n VAL 1193Cb 0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 32.73 3ikm n VAL 1193CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 3ikm n THR 1194N 0.00 -0.43 0.00 1.55 5.66 -1.26 -4.63 114.28 115.17 3ikm n THR 1194Ca 0.00 -0.22 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 3ikm n THR 1194Cb 0.00 -0.47 0.00 0.00 -1.55 0.00 0.00 70.33 68.31 3ikm n THR 1194CO 0.00 0.00 0.00 0.80 -3.05 0.00 0.00 175.07 172.82 3ikm n MET 1195N -2.75 0.00 0.00 1.09 1.56 -1.26 -5.09 117.12 110.66 3ikm n MET 1195Ca -0.13 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.30 3ikm n MET 1195Cb 0.34 -0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.71 3ikm n MET 1195CO 0.00 0.00 0.00 -0.40 -0.73 0.00 0.00 175.97 174.84 3ikm n ASP 1196N -1.13 0.00 -3.65 6.12 3.85 -1.26 -4.86 116.55 115.62 3ikm n ASP 1196Ca 0.00 0.00 -0.27 0.00 -0.71 0.00 0.00 54.79 53.81 3ikm n ASP 1196Cb 0.00 0.05 -0.10 0.00 -1.35 0.00 0.00 41.12 39.71 3ikm n ASP 1196CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3ikm h LYS 1198N 4.96 -0.09 -7.14 0.00 1.63 -1.89 -3.00 116.57 111.04 3ikm h LYS 1198Ca 0.17 0.01 -0.49 0.00 -0.85 0.00 0.00 60.65 59.49 3ikm h LYS 1198Cb 0.75 0.02 0.05 0.00 -0.60 0.00 0.00 32.23 32.46 3ikm h LYS 1198CO 0.69 -0.06 0.39 0.95 -3.45 0.00 0.00 179.45 177.97 3ikm s THR 1199N -5.89 3.70 -0.22 1.00 -4.23 -1.26 -3.20 115.64 105.53 3ikm s THR 1199Ca -0.14 0.92 -0.29 0.00 -1.18 0.00 0.00 61.69 61.00 3ikm s THR 1199Cb 0.17 -3.38 0.01 0.00 1.34 0.00 0.00 72.50 70.63 3ikm s THR 1199CO 0.69 -0.36 1.04 -2.16 -0.54 0.00 0.00 174.62 173.28 3ikm s PRO 1200N -3.68 4.27 2.27 3.99 0.04 -1.25 -4.46 135.00 136.18 3ikm s PRO 1200Ca 0.66 1.36 0.00 0.00 0.04 0.00 0.00 61.00 63.06 3ikm s PRO 1200Cb -0.17 -3.63 0.00 0.00 0.04 0.00 0.00 34.50 30.74 3ikm s PRO 1200CO 0.30 -0.60 0.00 -1.13 0.04 0.00 0.00 177.00 175.61 3ikm n SER 1201N 6.20 0.00 0.08 6.66 3.41 -1.20 -2.63 113.62 126.15 3ikm n SER 1201Ca 0.12 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.61 3ikm n SER 1201Cb 0.46 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.35 3ikm n SER 1201CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3ikm h ASN 1202N 0.00 0.37 0.00 4.04 2.35 -1.95 -3.32 115.58 117.07 3ikm h ASN 1202Ca 0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 56.30 55.43 3ikm h ASN 1202Cb 0.00 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.26 3ikm h ASN 1202CO 0.00 1.16 0.00 -2.65 -1.65 0.00 0.00 177.43 174.29 3ikm n PRO 1203N -3.64 0.00 -0.23 0.81 -0.02 -1.08 0.61 135.00 131.46 3ikm n PRO 1203Ca -0.05 0.04 -0.01 0.00 -2.02 0.00 0.00 63.50 61.45 3ikm n PRO 1203Cb 0.88 -0.12 0.06 0.00 -0.02 0.00 0.00 33.50 34.29 3ikm n PRO 1203CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3ikm h THR 1204N 0.00 0.26 0.00 3.45 2.02 -1.63 9.75 112.91 126.76 3ikm h THR 1204Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3ikm h THR 1204Cb 0.00 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 66.67 3ikm h THR 1204CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 3ikm n GLY 1205N -1.46 -2.11 0.27 2.16 0.00 1.56 0.34 105.19 105.96 3ikm n GLY 1205Ca 0.08 0.42 0.15 0.00 0.00 0.00 0.00 46.02 46.67 3ikm n GLY 1205CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3ikm h MET 1206N 0.00 0.00 0.40 1.61 -1.53 2.21 -3.34 114.93 114.28 3ikm h MET 1206Ca 0.00 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.25 3ikm h MET 1206Cb 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.03 3ikm h MET 1206CO 0.00 0.09 -0.34 1.49 0.14 0.00 0.00 176.91 178.29 3ikm h GLU 1207N 0.00 -0.72 -0.46 0.39 4.81 4.28 12.78 114.58 135.66 3ikm h GLU 1207Ca -0.00 0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.36 3ikm h GLU 1207Cb 0.35 0.16 -0.10 0.00 0.63 0.00 0.00 28.75 29.80 3ikm h GLU 1207CO 0.01 -0.48 -0.38 0.07 -0.73 0.00 0.00 179.01 177.50 3ikm h ARG 1208N -0.75 -0.25 -0.02 1.92 0.11 -1.28 0.37 114.38 114.48 3ikm h ARG 1208Ca -0.03 0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.06 3ikm h ARG 1208Cb 0.65 0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.79 3ikm h ARG 1208CO -0.03 -0.17 0.00 -2.13 0.10 0.00 0.00 179.97 177.75 3ikm n ARG 1209N -5.42 1.15 -0.01 0.08 0.63 -0.98 -2.55 116.66 109.57 3ikm n ARG 1209Ca 0.01 -0.23 -0.17 0.00 -0.92 0.00 0.00 57.85 56.55 3ikm n ARG 1209Cb 0.35 -1.42 -0.11 0.00 0.45 0.00 0.00 32.46 31.73 3ikm n ARG 1209CO 0.00 0.00 0.00 0.10 -2.51 0.00 0.00 177.63 175.22 3ikm h TYR 1210N 0.51 0.47 0.00 -0.14 -0.00 3.26 -3.49 116.97 117.58 3ikm h TYR 1210Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 58.73 58.47 3ikm h TYR 1210Cb 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 36.73 36.79 3ikm h TYR 1210CO 0.01 1.08 0.00 0.41 -0.00 0.00 0.00 178.16 179.66 3ikm n GLY 1211N 1.10 -2.21 3.65 0.10 0.00 0.06 -4.91 105.19 102.99 3ikm n GLY 1211Ca -0.10 0.72 -0.44 0.00 0.00 0.00 0.00 46.02 46.20 3ikm n GLY 1211CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3ikm n ILE 1212N 0.00 1.81 1.00 -0.61 -0.00 -1.25 -4.91 119.36 115.40 3ikm n ILE 1212Ca 0.00 -0.45 0.12 0.00 -0.00 0.00 0.00 62.75 62.41 3ikm n ILE 1212Cb 0.00 -1.34 0.57 0.00 -0.00 0.00 0.00 39.64 38.86 3ikm n ILE 1212CO 0.00 0.00 0.00 -2.65 -0.00 0.00 0.00 176.55 173.90 3ikm n PRO 1213N 0.86 0.18 0.00 0.38 -0.02 -1.26 -4.58 135.00 130.56 3ikm n PRO 1213Ca 0.08 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 3ikm n PRO 1213Cb 0.34 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 3ikm n PRO 1213CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3ikm n GLN 1214N -1.39 0.00 -4.32 -0.52 6.02 -1.26 -5.09 117.38 110.83 3ikm n GLN 1214Ca 0.09 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.89 3ikm n GLN 1214Cb 0.23 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.41 3ikm n GLN 1214CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3ikm s GLY 1215N -2.32 2.12 0.45 1.08 0.00 -1.26 -4.94 107.32 102.45 3ikm s GLY 1215Ca 0.00 -1.79 0.08 0.00 0.00 0.00 0.00 44.72 43.00 3ikm s GLY 1215CO 0.00 -1.55 0.50 -0.54 0.00 0.00 0.00 173.10 171.51 3ikm s GLU 1216N -3.74 2.57 -0.16 2.90 2.02 -0.92 -4.37 118.70 117.01 3ikm s GLU 1216Ca 0.36 -1.50 -0.07 0.00 0.02 0.00 0.00 54.97 53.79 3ikm s GLU 1216Cb 0.04 -2.51 0.07 0.00 0.10 0.00 0.00 34.13 31.83 3ikm s GLU 1216CO 0.20 -0.35 0.34 0.00 0.02 0.00 0.00 175.26 175.46 3ikm s ALA 1217N -2.49 -0.85 -0.06 5.21 0.00 -1.25 -0.52 121.76 121.80 3ikm s ALA 1217Ca 0.51 1.25 0.04 0.00 0.00 0.00 0.00 51.96 53.76 3ikm s ALA 1217Cb -0.06 -1.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.02 3ikm s ALA 1217CO 0.30 -0.51 -0.17 -0.51 0.00 0.00 0.00 175.76 174.87 3ikm s LEU 1218N 2.04 2.54 -0.42 0.00 1.02 0.58 -4.80 118.68 119.65 3ikm s LEU 1218Ca -0.04 -0.30 -0.26 0.00 0.02 0.00 0.00 54.13 53.55 3ikm s LEU 1218Cb -0.11 -1.51 0.02 0.00 0.02 0.00 0.00 46.19 44.62 3ikm s LEU 1218CO -0.11 0.30 0.94 -1.81 0.02 0.00 0.00 176.35 175.69 3ikm s ASP 1219N -0.44 6.60 0.00 2.29 1.01 -1.26 -1.93 116.67 122.93 3ikm s ASP 1219Ca 0.05 0.37 0.00 0.00 0.71 0.00 0.00 52.55 53.68 3ikm s ASP 1219Cb -0.12 -2.47 0.00 0.00 1.01 0.00 0.00 42.92 41.35 3ikm s ASP 1219CO 0.02 -0.98 0.00 -0.38 0.21 0.00 0.00 175.17 174.04 3ikm n ILE 1220N 6.25 0.00 -0.11 0.77 5.41 -1.26 -2.35 119.36 128.07 3ikm n ILE 1220Ca 0.07 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.79 3ikm n ILE 1220Cb 0.48 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.39 3ikm n ILE 1220CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3ikm n TYR 1221N 3.20 -0.11 -0.31 1.39 0.18 -1.26 0.17 117.16 120.42 3ikm n TYR 1221Ca 0.00 0.32 -0.02 0.00 1.88 0.00 0.00 57.90 60.08 3ikm n TYR 1221Cb 0.00 -0.46 0.02 0.00 -0.38 0.00 0.00 39.34 38.53 3ikm n TYR 1221CO 0.00 0.00 0.00 1.04 -2.08 0.00 0.00 176.86 175.82 3ikm n GLN 1222N -4.00 -0.20 0.07 -3.48 6.02 -0.99 0.35 117.38 115.15 3ikm n GLN 1222Ca 0.01 1.22 -0.12 0.00 -0.01 0.00 0.00 57.00 58.10 3ikm n GLN 1222Cb 0.07 -1.81 -0.05 0.00 1.02 0.00 0.00 30.24 29.47 3ikm n GLN 1222CO 0.00 0.00 0.00 -0.84 -1.01 0.00 0.00 177.06 175.21 3ikm h ILE 1223N 0.00 0.68 0.00 5.09 -0.00 0.15 -0.77 117.51 122.66 3ikm h ILE 1223Ca 0.26 0.00 -0.04 0.00 -0.00 0.00 0.00 64.86 65.08 3ikm h ILE 1223Cb 0.46 0.68 -0.01 0.00 -0.00 0.00 0.00 36.82 37.95 3ikm h ILE 1223CO -0.78 0.00 -0.19 -0.29 -0.00 0.00 0.00 178.15 176.89 3ikm h ILE 1224N -0.25 1.12 -0.88 0.16 -0.00 0.67 0.13 117.51 118.46 3ikm h ILE 1224Ca 0.03 -0.64 0.18 0.00 -0.00 0.00 0.00 64.86 64.43 3ikm h ILE 1224Cb 0.29 1.35 -0.07 0.00 -0.00 0.00 0.00 36.82 38.38 3ikm h ILE 1224CO -0.10 0.18 0.58 -0.33 -0.00 0.00 0.00 178.15 178.48 3ikm h GLU 1225N 0.00 0.49 0.00 2.19 4.39 0.76 0.56 114.58 122.97 3ikm h GLU 1225Ca -0.00 -0.03 -0.19 0.00 0.34 0.00 0.00 59.36 59.48 3ikm h GLU 1225Cb 0.33 -0.11 0.02 0.00 -0.10 0.00 0.00 28.75 28.89 3ikm h GLU 1225CO 0.02 0.32 -0.74 -0.07 -1.16 0.00 0.00 179.01 177.39 3ikm h LEU 1226N 0.50 0.64 -7.35 1.33 -0.00 -0.44 -3.37 115.31 106.62 3ikm h LEU 1226Ca 0.46 -0.76 -0.69 0.00 -0.00 0.00 0.00 57.88 56.89 3ikm h LEU 1226Cb 0.99 -0.20 -0.37 0.00 -0.00 0.00 0.00 40.66 41.09 3ikm h LEU 1226CO -0.19 1.32 -0.26 0.42 -0.00 0.00 0.00 178.44 179.73 3ikm s THR 1227N -3.21 3.90 0.08 0.22 -4.23 0.15 -4.87 115.64 107.69 3ikm s THR 1227Ca -0.12 -3.66 -0.30 0.00 -1.18 0.00 0.00 61.69 56.43 3ikm s THR 1227Cb 0.04 -3.48 -0.06 0.00 1.34 0.00 0.00 72.50 70.35 3ikm s THR 1227CO 0.85 -1.01 1.14 -0.54 -0.54 0.00 0.00 174.62 174.52 3ikm s LYS 1228N -0.97 4.50 -1.48 3.99 1.02 0.11 -3.38 119.74 123.53 3ikm s LYS 1228Ca 0.24 1.70 -0.12 0.00 0.02 0.00 0.00 55.97 57.81 3ikm s LYS 1228Cb -0.11 -3.34 0.06 0.00 -0.52 0.00 0.00 37.83 33.92 3ikm s LYS 1228CO -0.10 -0.13 1.03 0.41 -0.92 0.00 0.00 175.35 175.64 3ikm n GLY 1229N 2.84 -0.51 7.00 -3.33 0.00 -1.26 -4.71 105.19 105.21 3ikm n GLY 1229Ca 0.07 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.30 3ikm n GLY 1229CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3ikm n SER 1230N -2.87 0.00 -2.74 1.61 2.88 -1.22 -4.81 113.62 106.47 3ikm n SER 1230Ca 0.03 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.46 3ikm n SER 1230Cb 0.54 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.99 3ikm n SER 1230CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3ikm n LEU 1231N 0.00 0.00 0.00 2.46 7.94 -1.26 -4.39 117.00 121.75 3ikm n LEU 1231Ca 0.00 -2.50 0.00 0.00 -1.11 0.00 0.00 56.01 52.40 3ikm n LEU 1231Cb 0.00 2.71 0.00 0.00 0.53 0.00 0.00 43.42 46.66 3ikm n LEU 1231CO 0.00 -0.66 0.00 -0.62 -1.11 0.00 0.00 177.39 175.00 3ikm n GLU 1232N -0.51 0.00 -2.80 1.96 -0.58 -1.26 -4.70 120.64 112.75 3ikm n GLU 1232Ca -0.02 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.71 3ikm n GLU 1232Cb 0.53 0.00 0.06 0.00 -0.57 0.00 0.00 31.44 31.47 3ikm n GLU 1232CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3ikm n LYS 1233N 0.00 1.65 0.00 3.49 5.02 -1.26 -4.59 118.16 122.47 3ikm n LYS 1233Ca 0.00 -3.09 0.00 0.00 -2.02 0.00 0.00 58.31 53.20 3ikm n LYS 1233Cb 0.00 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 3ikm n LYS 1233CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3ikm n ARG 1234N -0.75 0.00 -0.25 1.97 3.00 -1.26 -4.85 116.66 114.53 3ikm n ARG 1234Ca 0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.82 3ikm n ARG 1234Cb 0.81 -0.03 0.05 0.00 0.00 0.00 0.00 32.46 33.30 3ikm n ARG 1234CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 3ikm h SER 1235N 0.00 0.81 0.00 6.15 0.02 -1.84 -3.46 113.55 115.22 3ikm h SER 1235Ca 0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3ikm h SER 1235Cb 0.00 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.34 3ikm h SER 1235CO 0.00 0.61 0.00 0.00 -1.14 0.00 0.00 176.83 176.30 3ikm n GLN 1236N -4.58 0.00 -0.18 3.45 1.13 -1.26 -4.52 117.38 111.42 3ikm n GLN 1236Ca 0.06 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 55.09 3ikm n GLN 1236Cb 0.04 0.00 0.04 0.00 0.11 0.00 0.00 30.24 30.42 3ikm n GLN 1236CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 3ikm h PRO 1237N 0.00 -0.07 0.00 -1.09 0.13 -2.00 -3.41 132.00 125.56 3ikm h PRO 1237Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3ikm h PRO 1237Cb 0.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 3ikm h PRO 1237CO 0.00 -0.05 0.00 0.41 -0.23 0.00 0.00 178.00 178.13 3ikm n GLY 1238N -1.42 0.00 0.00 1.56 0.00 -1.26 -5.27 105.19 98.80 3ikm n GLY 1238Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3ikm n GLY 1238CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27