#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 0.00 0.00 -1.55 8.25 -1.26 -4.59 115.22 116.07 3ikm n HIS 71 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3ikm n HIS 71 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3ikm n HIS 71 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3ikm n ASN 72 N 3.16 0.00 -4.29 0.41 3.02 -1.26 -5.14 115.26 111.16 3ikm n ASN 72 Ca 0.00 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.35 3ikm n ASN 72 Cb 0.00 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.06 3ikm n ASN 72 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3ikm s PRO 73 N -1.77 1.14 -0.49 3.52 0.04 -1.26 -5.09 135.00 131.09 3ikm s PRO 73 Ca 0.00 -1.31 0.06 0.00 0.04 0.00 0.00 61.00 59.80 3ikm s PRO 73 Cb 0.00 -1.13 0.23 0.00 0.04 0.00 0.00 34.50 33.63 3ikm s PRO 73 CO 0.00 0.23 0.80 1.28 0.04 0.00 0.00 177.00 179.35 3ikm n LEU 74 N 0.47 -2.76 0.00 -3.56 7.99 -1.26 -3.99 117.00 113.89 3ikm n LEU 74 Ca -0.15 -3.34 0.07 0.00 -0.01 0.00 0.00 56.01 52.58 3ikm n LEU 74 Cb 0.57 0.80 0.33 0.00 -0.11 0.00 0.00 43.42 45.01 3ikm n LEU 74 CO 0.28 1.99 0.68 -0.67 -1.51 0.00 0.00 177.39 178.15 3ikm n ASP 75 N 2.01 0.00 0.00 -1.43 2.03 -1.26 -4.72 116.55 113.18 3ikm n ASP 75 Ca 0.13 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.57 3ikm n ASP 75 Cb 0.60 -0.31 0.00 0.00 -0.72 0.00 0.00 41.12 40.69 3ikm n ASP 75 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ikm n ILE 76 N -1.31 0.00 -4.81 5.18 0.13 -1.26 -5.15 119.36 112.14 3ikm n ILE 76 Ca 0.06 0.00 -0.25 0.00 -1.10 0.00 0.00 62.75 61.46 3ikm n ILE 76 Cb 0.11 0.00 -0.16 0.00 -0.84 0.00 0.00 39.64 38.76 3ikm n ILE 76 CO 0.00 0.00 0.00 -1.10 2.80 0.00 0.00 176.55 178.25 3ikm s GLN 77 N 0.00 1.51 0.49 9.51 -0.21 -1.26 -5.09 119.66 124.61 3ikm s GLN 77 Ca 0.00 -0.60 -0.18 0.00 0.02 0.00 0.00 55.36 54.60 3ikm s GLN 77 Cb 0.00 -1.40 -0.15 0.00 1.00 0.00 0.00 33.01 32.46 3ikm s GLN 77 CO 0.00 0.32 -0.09 -0.12 -2.12 0.00 0.00 175.29 173.27 3ikm n MET 78 N 2.85 0.01 -3.50 2.91 0.00 -1.26 -4.61 117.12 113.52 3ikm n MET 78 Ca -0.16 0.00 -0.16 0.00 -0.00 0.00 0.00 57.70 57.38 3ikm n MET 78 Cb 0.54 -1.01 -0.05 0.00 0.00 0.00 0.00 33.22 32.70 3ikm n MET 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3ikm s LEU 79 N 4.89 -0.60 0.00 -0.89 1.43 -1.26 -2.94 118.68 119.31 3ikm s LEU 79 Ca 0.57 0.51 0.00 0.00 -1.03 0.00 0.00 54.13 54.18 3ikm s LEU 79 Cb -0.51 2.52 0.00 0.00 0.03 0.00 0.00 46.19 48.23 3ikm s LEU 79 CO 0.66 -0.70 0.00 -1.54 0.23 0.00 0.00 176.35 174.99 3ikm n SER 80 N 0.57 0.00 0.00 2.29 3.41 -1.26 -4.31 113.62 114.32 3ikm n SER 80 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 3ikm n SER 80 Cb 0.59 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 3ikm n SER 80 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3ikm n ARG 81 N -2.16 0.00 0.09 4.33 1.85 -1.26 -4.54 116.66 114.97 3ikm n ARG 81 Ca 0.00 -0.08 -0.20 0.00 -1.00 0.00 0.00 57.85 56.57 3ikm n ARG 81 Cb 0.00 -0.18 -0.15 0.00 -1.05 0.00 0.00 32.46 31.08 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 0.42 0.17 2.89 0.00 -1.86 -3.35 103.07 101.33 3ikm h GLY 82 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 47.33 46.26 3ikm h GLY 82 CO 0.00 0.94 -0.32 1.41 0.00 0.00 0.00 176.54 178.57 3ikm h LEU 83 N 0.10 -0.92 -0.14 3.11 4.07 -1.86 -2.30 115.31 117.37 3ikm h LEU 83 Ca -0.26 0.09 0.06 0.00 0.08 0.00 0.00 57.88 57.85 3ikm h LEU 83 Cb 2.07 0.33 -0.03 0.00 1.08 0.00 0.00 40.66 44.11 3ikm h LEU 83 CO 0.20 -0.37 0.06 1.41 -1.08 0.00 0.00 178.44 178.67 3ikm n HIS 84 N -4.27 0.15 -0.10 1.13 8.25 0.31 0.18 115.22 120.87 3ikm n HIS 84 Ca -0.06 0.17 -0.14 0.00 -0.26 0.00 0.00 57.72 57.43 3ikm n HIS 84 Cb 0.26 -0.64 -0.03 0.00 1.12 0.00 0.00 29.99 30.69 3ikm n HIS 84 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 3ikm h GLU 85 N 0.00 0.84 0.00 -0.41 5.08 -1.62 -3.39 114.58 115.08 3ikm h GLU 85 Ca 0.11 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 3ikm h GLU 85 Cb 0.29 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3ikm h GLU 85 CO -0.12 1.10 0.00 0.94 -1.00 0.00 0.00 179.01 179.93 3ikm n GLN 86 N -4.13 0.11 -3.12 2.33 7.27 0.48 -4.81 117.38 115.51 3ikm n GLN 86 Ca -0.03 -0.35 -0.05 0.00 0.07 0.00 0.00 57.00 56.63 3ikm n GLN 86 Cb 0.53 -0.55 0.02 0.00 2.41 0.00 0.00 30.24 32.66 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 -0.03 0.00 -5.06 1.69 5.41 0.48 -4.46 119.36 117.39 3ikm n ILE 87 Ca 0.00 -0.66 -0.28 0.00 1.00 0.00 0.00 62.75 62.82 3ikm n ILE 87 Cb 0.37 0.70 -0.16 0.00 -0.71 0.00 0.00 39.64 39.84 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 -3.67 1.93 0.02 1.39 0.40 -1.26 -0.53 117.98 116.26 3ikm s PHE 88 Ca 0.13 -0.37 -0.19 0.00 -0.60 0.00 0.00 56.93 55.90 3ikm s PHE 88 Cb -0.03 -1.24 -0.11 0.00 0.51 0.00 0.00 43.02 42.15 3ikm s PHE 88 CO 0.08 -0.03 1.08 0.78 0.70 0.00 0.00 175.22 177.82 3ikm h GLY 89 N 5.61 -0.73 -2.80 4.36 0.00 -1.86 -3.28 103.07 104.37 3ikm h GLY 89 Ca -0.40 0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3ikm h GLY 89 CO 0.48 -0.27 0.00 0.61 0.00 0.00 0.00 176.54 177.36 3ikm n GLN 90 N -4.26 3.44 -3.09 4.80 10.64 -1.26 -4.48 117.38 123.17 3ikm n GLN 90 Ca -0.09 -2.54 -0.45 0.00 -1.83 0.00 0.00 57.00 52.10 3ikm n GLN 90 Cb 0.28 -1.83 -0.03 0.00 -0.86 0.00 0.00 30.24 27.80 3ikm n GLN 90 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 3ikm s GLY 91 N -0.84 2.11 -0.07 2.61 0.00 -1.24 -4.84 107.32 105.05 3ikm s GLY 91 Ca 0.45 -2.80 -0.04 0.00 0.00 0.00 0.00 44.72 42.34 3ikm s GLY 91 CO 0.22 1.68 0.16 -0.32 0.00 0.00 0.00 173.10 174.84 3ikm s GLY 92 N 3.17 -0.06 -1.38 0.20 0.00 -1.26 -4.60 107.32 103.39 3ikm s GLY 92 Ca 0.23 0.64 -0.15 0.00 0.00 0.00 0.00 44.72 45.44 3ikm s GLY 92 CO -0.05 0.85 2.00 -1.84 0.00 0.00 0.00 173.10 174.05 3ikm n GLU 93 N 3.88 3.04 -2.42 2.90 0.28 -1.26 -4.92 120.64 122.14 3ikm n GLU 93 Ca -0.23 -2.95 -0.43 0.00 -0.16 0.00 0.00 57.16 53.40 3ikm n GLU 93 Cb 0.54 -3.35 -0.02 0.00 1.43 0.00 0.00 31.44 30.04 3ikm n GLU 93 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 177.13 178.38 3ikm s MET 94 N 3.42 4.20 0.58 3.44 1.75 -1.26 -4.98 119.30 126.45 3ikm s MET 94 Ca 0.49 1.62 -0.19 0.00 -1.25 0.00 0.00 55.69 56.37 3ikm s MET 94 Cb 0.09 -3.78 -0.04 0.00 2.84 0.00 0.00 34.83 33.94 3ikm s MET 94 CO -0.02 -0.76 1.16 -2.14 -0.65 0.00 0.00 175.02 172.62 3ikm s PRO 95 N 3.58 3.12 0.00 4.11 0.02 -1.26 -4.93 135.00 139.64 3ikm s PRO 95 Ca 0.55 1.69 0.00 0.00 0.02 0.00 0.00 61.00 63.26 3ikm s PRO 95 Cb -0.21 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.34 3ikm s PRO 95 CO 0.16 -1.06 0.00 0.41 -0.33 0.00 0.00 177.00 176.18 3ikm n GLY 96 N 0.27 0.00 0.04 0.52 0.00 -1.26 -2.31 105.19 102.45 3ikm n GLY 96 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 3ikm n GLY 96 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ikm h GLU 97 N 0.00 -0.04 0.00 1.61 5.08 -1.96 0.59 114.58 119.86 3ikm h GLU 97 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ikm h GLU 97 Cb 0.00 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3ikm h GLU 97 CO 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 179.01 177.98 3ikm n ALA 98 N -2.61 0.00 0.12 3.43 0.00 -1.26 0.27 120.51 120.45 3ikm n ALA 98 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.28 3ikm n ALA 98 Cb 0.03 0.44 -0.08 0.00 0.00 0.00 0.00 19.45 19.83 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 -1.17 -0.83 -0.38 0.00 0.00 -1.73 1.04 119.26 116.19 3ikm h ALA 99 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3ikm h ALA 99 Cb 0.00 0.77 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3ikm h ALA 99 CO 0.00 -1.03 0.18 0.28 0.00 0.00 0.00 179.25 178.68 3ikm h VAL 100 N -0.69 1.13 0.03 0.00 2.07 -0.45 -3.21 116.25 115.13 3ikm h VAL 100 Ca 0.01 -0.37 -0.12 0.00 0.82 0.00 0.00 66.70 67.03 3ikm h VAL 100 Cb 0.71 0.65 0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3ikm h VAL 100 CO -0.26 0.15 -0.50 0.03 0.02 0.00 0.00 177.57 177.01 3ikm h ARG 101 N 0.53 0.28 -0.42 1.57 3.08 0.47 -3.15 114.38 116.74 3ikm h ARG 101 Ca 0.14 -0.35 0.09 0.00 0.07 0.00 0.00 59.98 59.92 3ikm h ARG 101 Cb 0.06 0.11 -0.09 0.00 0.08 0.00 0.00 29.97 30.13 3ikm h ARG 101 CO -0.02 1.08 -0.24 0.07 -1.07 0.00 0.00 179.97 179.79 3ikm h ARG 102 N -0.36 -0.15 -0.46 0.04 0.11 0.11 1.01 114.38 114.68 3ikm h ARG 102 Ca -0.07 0.01 0.08 0.00 0.10 0.00 0.00 59.98 60.10 3ikm h ARG 102 Cb 1.28 0.03 -0.07 0.00 1.11 0.00 0.00 29.97 32.33 3ikm h ARG 102 CO 0.10 -0.10 0.08 0.77 0.10 0.00 0.00 179.97 180.92 3ikm h SER 103 N -0.16 -0.02 -0.53 0.08 0.02 -1.69 -2.56 113.55 108.69 3ikm h SER 103 Ca 0.20 0.09 -0.12 0.00 -0.84 0.00 0.00 61.79 61.12 3ikm h SER 103 Cb 0.47 0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 3ikm h SER 103 CO -0.52 0.02 -0.13 0.58 -1.14 0.00 0.00 176.83 175.64 3ikm h VAL 104 N 0.21 1.27 -0.96 2.27 2.07 -0.75 -2.77 116.25 117.58 3ikm h VAL 104 Ca 0.23 -1.29 0.21 0.00 0.82 0.00 0.00 66.70 66.67 3ikm h VAL 104 Cb 0.30 1.01 -0.11 0.00 -1.52 0.00 0.00 31.29 30.97 3ikm h VAL 104 CO -0.31 0.45 0.54 -0.33 0.02 0.00 0.00 177.57 177.94 3ikm h GLU 105 N 0.89 0.59 0.00 1.57 5.08 0.13 -3.41 114.58 119.43 3ikm h GLU 105 Ca 0.13 -0.04 -0.38 0.00 -1.00 0.00 0.00 59.36 58.08 3ikm h GLU 105 Cb 0.70 -0.13 0.20 0.00 0.50 0.00 0.00 28.75 30.02 3ikm h GLU 105 CO 0.05 0.39 0.00 0.72 -1.00 0.00 0.00 179.01 179.18 3ikm n HIS 106 N -4.88 -3.85 0.00 4.33 8.25 -1.05 -3.40 115.22 114.63 3ikm n HIS 106 Ca 0.23 -0.91 0.00 0.00 -0.26 0.00 0.00 57.72 56.78 3ikm n HIS 106 Cb 0.63 -1.17 0.00 0.00 1.12 0.00 0.00 29.99 30.57 3ikm n HIS 106 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3ikm n LEU 107 N 0.00 0.00 0.07 2.41 7.99 -1.26 -4.48 117.00 121.72 3ikm n LEU 107 Ca 0.14 0.00 -0.09 0.00 -0.01 0.00 0.00 56.01 56.05 3ikm n LEU 107 Cb 0.59 -0.13 0.03 0.00 -0.11 0.00 0.00 43.42 43.79 3ikm n LEU 107 CO 0.40 0.00 0.33 -0.61 -1.51 0.00 0.00 177.39 176.00 3ikm h GLN 108 N 0.63 0.33 0.17 3.23 4.15 -1.80 2.30 115.11 124.13 3ikm h GLN 108 Ca 0.00 -0.29 -0.33 0.00 0.77 0.00 0.00 58.65 58.80 3ikm h GLN 108 Cb 0.00 0.07 0.01 0.00 0.21 0.00 0.00 27.48 27.77 3ikm h GLN 108 CO 0.00 0.95 -1.62 0.87 -1.93 0.00 0.00 178.83 177.10 3ikm h LYS 109 N 0.22 0.37 -0.48 1.69 1.79 -1.78 -3.32 116.57 115.04 3ikm h LYS 109 Ca -0.04 -0.63 0.00 0.00 -2.18 0.00 0.00 60.65 57.80 3ikm h LYS 109 Cb 1.35 0.23 0.00 0.00 -1.58 0.00 0.00 32.23 32.24 3ikm h LYS 109 CO 0.13 1.27 0.00 0.72 -1.08 0.00 0.00 179.45 180.49 3ikm n HIS 110 N -3.56 0.64 -3.86 -1.35 8.25 -1.17 -5.00 115.22 109.17 3ikm n HIS 110 Ca -0.20 -0.32 -0.31 0.00 -0.26 0.00 0.00 57.72 56.62 3ikm n HIS 110 Cb 1.07 0.00 0.01 0.00 1.12 0.00 0.00 29.99 32.19 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 1.36 -0.65 0.34 -1.41 0.00 0.77 -4.83 105.19 100.78 3ikm n GLY 111 Ca 0.18 0.31 -0.09 0.00 0.00 0.00 0.00 46.02 46.43 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 -4.40 1.93 -4.88 0.99 4.32 -0.61 -5.01 117.00 109.34 3ikm n LEU 112 Ca -0.19 0.03 -0.29 0.00 -0.02 0.00 0.00 56.01 55.54 3ikm n LEU 112 Cb 0.63 -0.32 0.14 0.00 -1.62 0.00 0.00 43.42 42.26 3ikm n LEU 112 CO 0.72 0.45 0.81 -1.66 -1.22 0.00 0.00 177.39 176.49 3ikm s TRP 113 N -2.19 2.19 0.00 -1.77 1.48 -1.26 -4.17 118.94 113.22 3ikm s TRP 113 Ca -0.13 0.57 0.00 0.00 -1.06 0.00 0.00 56.10 55.47 3ikm s TRP 113 Cb 0.04 -3.74 0.00 0.00 -1.16 0.00 0.00 33.47 28.61 3ikm s TRP 113 CO 0.20 -2.34 0.00 0.41 -4.06 0.00 0.00 176.95 171.16 3ikm n GLY 114 N -3.23 3.02 0.04 3.67 0.00 -1.26 -4.68 105.19 102.74 3ikm n GLY 114 Ca 0.11 -0.81 0.11 0.00 0.00 0.00 0.00 46.02 45.43 3ikm n GLY 114 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ikm n GLN 115 N 0.00 0.36 0.28 1.61 1.13 -1.26 -4.08 117.38 115.41 3ikm n GLN 115 Ca 0.00 -0.02 0.17 0.00 -1.94 0.00 0.00 57.00 55.21 3ikm n GLN 115 Cb 0.00 -1.60 0.83 0.00 0.11 0.00 0.00 30.24 29.58 3ikm n GLN 115 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 3ikm h PRO 116 N 0.00 0.00 -2.57 -1.09 0.13 -1.84 -2.33 132.00 124.30 3ikm h PRO 116 Ca 0.00 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.65 3ikm h PRO 116 Cb 0.79 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.90 3ikm h PRO 116 CO 0.00 0.00 2.06 0.00 -0.23 0.00 0.00 178.00 179.83 3ikm n ALA 117 N -2.02 7.07 -2.53 -0.56 0.00 -1.26 -3.87 120.51 117.33 3ikm n ALA 117 Ca 0.00 -2.85 0.03 0.00 0.00 0.00 0.00 53.44 50.61 3ikm n ALA 117 Cb 0.40 -2.92 0.02 0.00 0.00 0.00 0.00 19.45 16.96 3ikm n ALA 117 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3ikm n VAL 118 N 3.05 0.21 -0.71 0.00 0.24 -0.88 -5.12 118.33 115.12 3ikm n VAL 118 Ca 0.64 -1.26 -0.30 0.00 -2.04 0.00 0.00 64.34 61.37 3ikm n VAL 118 Cb 0.51 1.02 0.18 0.00 -1.47 0.00 0.00 33.84 34.09 3ikm n VAL 118 CO 0.00 0.00 0.00 -2.84 -2.14 0.00 0.00 176.83 171.85 3ikm s PRO 119 N -0.61 0.70 -0.56 7.34 0.02 -1.25 -5.02 135.00 135.62 3ikm s PRO 119 Ca 0.31 1.37 0.07 0.00 0.02 0.00 0.00 61.00 62.76 3ikm s PRO 119 Cb 0.36 -1.70 0.30 0.00 0.02 0.00 0.00 34.50 33.48 3ikm s PRO 119 CO -0.14 -2.79 0.81 1.28 -0.33 0.00 0.00 177.00 175.83 3ikm n LEU 120 N -4.33 3.36 -0.26 -5.54 7.99 -1.26 -5.01 117.00 111.96 3ikm n LEU 120 Ca 0.10 -5.42 0.08 0.00 -0.01 0.00 0.00 56.01 50.76 3ikm n LEU 120 Cb 0.53 -0.32 0.33 0.00 -0.11 0.00 0.00 43.42 43.84 3ikm n LEU 120 CO 0.51 2.22 1.23 1.55 -1.51 0.00 0.00 177.39 181.39 3ikm h PRO 121 N 3.50 0.79 -6.05 3.23 0.13 -2.03 -3.49 132.00 128.07 3ikm h PRO 121 Ca 0.14 -0.05 -0.60 0.00 -0.87 0.00 0.00 66.00 64.63 3ikm h PRO 121 Cb 0.65 -0.18 0.18 0.00 0.13 0.00 0.00 31.00 31.78 3ikm h PRO 121 CO 0.75 0.52 -1.08 -0.40 -0.23 0.00 0.00 178.00 177.56 3ikm n ASP 122 N -4.53 -3.40 0.00 1.44 3.85 -1.26 -4.94 116.55 107.72 3ikm n ASP 122 Ca 0.15 0.67 0.00 0.00 -0.71 0.00 0.00 54.79 54.90 3ikm n ASP 122 Cb 0.34 -0.88 0.00 0.00 -1.35 0.00 0.00 41.12 39.23 3ikm n ASP 122 CO 0.00 0.00 0.00 0.55 -1.01 0.00 0.00 177.20 176.74 3ikm n VAL 123 N -1.51 0.00 -3.63 2.12 3.14 -1.26 -5.09 118.33 112.09 3ikm n VAL 123 Ca 0.08 0.00 -0.27 0.00 -2.96 0.00 0.00 64.34 61.19 3ikm n VAL 123 Cb 0.47 0.00 -0.16 0.00 -1.06 0.00 0.00 33.84 33.09 3ikm n VAL 123 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 3ikm s GLU 124 N -2.00 0.28 -0.12 1.45 2.12 -1.26 -5.04 118.70 114.13 3ikm s GLU 124 Ca 0.00 -0.32 -0.03 0.00 0.36 0.00 0.00 54.97 54.98 3ikm s GLU 124 Cb 0.00 -1.77 -0.03 0.00 0.26 0.00 0.00 34.13 32.59 3ikm s GLU 124 CO 0.00 -0.76 -0.01 -0.48 -0.54 0.00 0.00 175.26 173.47 3ikm s LEU 125 N 2.03 3.46 -0.42 2.70 2.34 -1.26 -5.05 118.68 122.47 3ikm s LEU 125 Ca 0.03 0.03 0.05 0.00 0.06 0.00 0.00 54.13 54.30 3ikm s LEU 125 Cb -0.16 -1.81 0.18 0.00 -0.56 0.00 0.00 46.19 43.84 3ikm s LEU 125 CO -0.16 0.29 0.40 0.54 -1.06 0.00 0.00 176.35 176.36 3ikm n ARG 126 N 2.74 0.28 -3.84 1.48 1.74 -1.26 -4.59 116.66 113.20 3ikm n ARG 126 Ca -0.18 -3.06 -0.16 0.00 -0.77 0.00 0.00 57.85 53.68 3ikm n ARG 126 Cb 0.53 -1.59 -0.16 0.00 -1.02 0.00 0.00 32.46 30.22 3ikm n ARG 126 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3ikm s LEU 127 N -0.04 1.18 -0.06 0.55 1.43 -1.26 -4.80 118.68 115.68 3ikm s LEU 127 Ca 0.33 0.01 0.12 0.00 -1.03 0.00 0.00 54.13 53.56 3ikm s LEU 127 Cb 0.06 -0.13 0.34 0.00 0.03 0.00 0.00 46.19 46.49 3ikm s LEU 127 CO -0.18 -0.11 1.28 -0.81 0.23 0.00 0.00 176.35 176.76 3ikm n PRO 128 N 4.09 2.85 0.33 1.29 -0.04 -1.26 -4.78 135.00 137.47 3ikm n PRO 128 Ca -0.27 -2.25 0.17 0.00 -0.04 0.00 0.00 63.50 61.11 3ikm n PRO 128 Cb 0.51 -1.42 0.90 0.00 -0.04 0.00 0.00 33.50 33.44 3ikm n PRO 128 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 3ikm h PRO 129 N 1.71 0.00 -6.33 0.54 0.13 -1.97 -3.44 132.00 122.63 3ikm h PRO 129 Ca 0.00 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.53 3ikm h PRO 129 Cb 0.93 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.88 3ikm h PRO 129 CO 0.07 0.00 -0.81 -0.51 -0.23 0.00 0.00 178.00 176.52 3ikm s LEU 130 N -5.80 2.44 -0.16 1.56 1.02 -1.26 -5.06 118.68 111.42 3ikm s LEU 130 Ca -0.04 -0.87 -0.13 0.00 0.02 0.00 0.00 54.13 53.12 3ikm s LEU 130 Cb 0.09 -1.03 -0.05 0.00 0.02 0.00 0.00 46.19 45.22 3ikm s LEU 130 CO 0.30 0.06 -0.23 -1.22 0.02 0.00 0.00 176.35 175.27 3ikm n TYR 131 N 0.27 0.55 -0.91 0.29 4.02 -1.26 -4.74 117.16 115.38 3ikm n TYR 131 Ca -0.13 0.24 -0.36 0.00 -0.01 0.00 0.00 57.90 57.65 3ikm n TYR 131 Cb 0.56 -0.69 0.06 0.00 -0.02 0.00 0.00 39.34 39.25 3ikm n TYR 131 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ikm n GLY 132 N 1.54 -2.81 3.32 2.72 0.00 -1.26 -4.93 105.19 103.77 3ikm n GLY 132 Ca -0.12 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 3ikm n GLY 132 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ikm s ASP 133 N -1.18 4.73 -0.11 1.61 2.15 -1.26 -4.70 116.67 117.90 3ikm s ASP 133 Ca 0.38 -0.59 -0.07 0.00 0.43 0.00 0.00 52.55 52.71 3ikm s ASP 133 Cb 0.06 -1.80 0.03 0.00 -0.30 0.00 0.00 42.92 40.90 3ikm s ASP 133 CO 0.63 -0.11 0.13 -3.20 -0.17 0.00 0.00 175.17 172.45 3ikm n ASN 134 N 4.82 -1.33 -0.34 -0.34 2.85 -1.26 -4.13 115.26 115.52 3ikm n ASN 134 Ca -0.16 0.76 0.14 0.00 -0.11 0.00 0.00 54.58 55.21 3ikm n ASN 134 Cb 0.49 -3.41 0.28 0.00 1.24 0.00 0.00 39.78 38.39 3ikm n ASN 134 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3ikm n LEU 135 N 0.92 -0.12 -0.03 1.20 -0.00 -1.26 0.22 117.00 117.92 3ikm n LEU 135 Ca -0.23 1.66 0.03 0.00 -0.00 0.00 0.00 56.01 57.48 3ikm n LEU 135 Cb 0.35 -0.60 0.40 0.00 -0.00 0.00 0.00 43.42 43.56 3ikm n LEU 135 CO 0.23 -1.68 1.17 -2.24 -0.00 0.00 0.00 177.39 174.87 3ikm h ASP 136 N 0.00 0.52 -0.84 1.45 3.04 -1.95 0.53 116.42 119.17 3ikm h ASP 136 Ca 0.59 -0.01 0.08 0.00 -3.24 0.00 0.00 57.03 54.44 3ikm h ASP 136 Cb 1.21 -0.13 -0.06 0.00 -1.04 0.00 0.00 39.33 39.32 3ikm h ASP 136 CO -0.92 0.38 0.55 -0.61 -2.04 0.00 0.00 179.24 176.60 3ikm h GLN 137 N 0.62 0.86 0.00 4.15 4.15 0.24 0.77 115.11 125.90 3ikm h GLN 137 Ca 0.17 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.54 3ikm h GLN 137 Cb -0.07 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.43 3ikm h GLN 137 CO -0.04 0.57 -0.06 0.45 -1.93 0.00 0.00 178.83 177.83 3ikm h HIS 138 N 0.89 0.00 -0.01 3.99 3.86 0.26 -3.08 115.15 121.06 3ikm h HIS 138 Ca 0.37 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.49 3ikm h HIS 138 Cb 0.29 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.77 3ikm h HIS 138 CO -0.00 0.00 -0.33 0.74 0.86 0.00 0.00 177.93 179.20 3ikm h PHE 139 N 0.00 0.35 -0.03 2.45 -1.00 0.33 -2.23 116.94 116.81 3ikm h PHE 139 Ca 0.00 -0.18 0.01 0.00 2.81 0.00 0.00 57.97 60.60 3ikm h PHE 139 Cb 0.78 -0.04 -0.00 0.00 3.61 0.00 0.00 35.95 40.29 3ikm h PHE 139 CO 0.00 0.99 0.02 0.00 -1.61 0.00 0.00 178.31 177.71 3ikm h ARG 140 N -0.39 0.00 0.31 1.51 2.47 -0.49 0.73 114.38 118.52 3ikm h ARG 140 Ca -0.04 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.66 3ikm h ARG 140 Cb 1.07 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.40 3ikm h ARG 140 CO 0.07 0.00 -0.15 -0.07 0.56 0.00 0.00 179.97 180.38 3ikm h LEU 141 N 0.00 -0.36 -0.62 3.04 4.07 -1.44 0.35 115.31 120.35 3ikm h LEU 141 Ca 0.01 -0.16 0.10 0.00 0.08 0.00 0.00 57.88 57.91 3ikm h LEU 141 Cb 0.06 0.09 -0.08 0.00 1.08 0.00 0.00 40.66 41.81 3ikm h LEU 141 CO -0.00 -0.01 0.22 -0.07 -1.08 0.00 0.00 178.44 177.50 3ikm h LEU 142 N -0.74 0.20 -1.25 1.67 3.38 -0.68 0.68 115.31 118.57 3ikm h LEU 142 Ca -0.04 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3ikm h LEU 142 Cb 0.50 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 3ikm h LEU 142 CO 0.07 0.11 0.48 0.00 0.09 0.00 0.00 178.44 179.19 3ikm h ALA 143 N 1.44 1.45 -0.01 1.53 0.00 -0.77 -2.84 119.26 120.06 3ikm h ALA 143 Ca 0.32 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.19 3ikm h ALA 143 Cb 0.42 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3ikm h ALA 143 CO -0.33 0.50 -0.11 0.37 0.00 0.00 0.00 179.25 179.67 3ikm h GLN 144 N 1.01 -0.18 0.47 0.00 5.75 0.45 -0.51 115.11 122.10 3ikm h GLN 144 Ca 0.27 0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.77 3ikm h GLN 144 Cb -0.10 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.49 3ikm h GLN 144 CO -0.06 -0.12 -0.30 0.87 -2.65 0.00 0.00 178.83 176.58 3ikm h LYS 145 N -0.19 -0.71 0.58 1.69 1.79 -1.00 -0.11 116.57 118.63 3ikm h LYS 145 Ca 0.05 0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.54 3ikm h LYS 145 Cb 0.25 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 3ikm h LYS 145 CO -0.12 -0.47 -0.30 1.96 -1.08 0.00 0.00 179.45 179.44 3ikm h GLN 146 N -0.73 -0.78 -0.99 3.15 4.20 -1.55 -2.95 115.11 115.45 3ikm h GLN 146 Ca -0.05 0.05 0.17 0.00 0.06 0.00 0.00 58.65 58.88 3ikm h GLN 146 Cb 0.60 0.18 -0.10 0.00 0.30 0.00 0.00 27.48 28.46 3ikm h GLN 146 CO 0.05 -0.52 0.60 0.66 -0.67 0.00 0.00 178.83 178.96 3ikm h SER 147 N -0.81 0.81 0.50 1.46 4.64 -1.09 -3.30 113.55 115.76 3ikm h SER 147 Ca -0.08 0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3ikm h SER 147 Cb 0.63 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3ikm h SER 147 CO 0.12 0.33 -0.24 -0.07 -0.87 0.00 0.00 176.83 176.10 3ikm h LEU 148 N 0.82 -0.57 -1.23 5.97 3.38 -0.83 0.85 115.31 123.71 3ikm h LEU 148 Ca 0.55 -0.05 0.17 0.00 0.09 0.00 0.00 57.88 58.64 3ikm h LEU 148 Cb 0.77 0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.58 3ikm h LEU 148 CO -0.35 -0.28 0.60 1.55 0.09 0.00 0.00 178.44 180.05 3ikm h PRO 149 N -0.85 0.66 0.00 1.13 0.13 -1.64 0.17 132.00 131.60 3ikm h PRO 149 Ca -0.07 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.01 3ikm h PRO 149 Cb 0.59 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 31.57 3ikm h PRO 149 CO 0.11 0.43 -0.08 1.88 -0.23 0.00 0.00 178.00 180.12 3ikm h TYR 150 N 0.68 0.00 -0.13 1.56 0.05 -1.66 -2.94 116.97 114.52 3ikm h TYR 150 Ca 0.50 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 59.24 3ikm h TYR 150 Cb 0.87 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.60 3ikm h TYR 150 CO -0.00 0.08 -0.07 -0.07 -1.05 0.00 0.00 178.16 177.04 3ikm h LEU 151 N 0.00 0.29 -0.29 3.88 3.38 0.18 -2.26 115.31 120.49 3ikm h LEU 151 Ca -0.00 -0.42 0.01 0.00 0.09 0.00 0.00 57.88 57.56 3ikm h LEU 151 Cb 1.05 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 3ikm h LEU 151 CO 0.01 0.64 0.16 -0.33 0.09 0.00 0.00 178.44 179.02 3ikm h GLU 152 N -0.07 0.33 0.00 1.13 4.39 -1.14 0.31 114.58 119.53 3ikm h GLU 152 Ca 0.03 -0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.62 3ikm h GLU 152 Cb 0.54 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 3ikm h GLU 152 CO 0.02 0.22 -0.41 0.00 -1.16 0.00 0.00 179.01 177.68 3ikm h ALA 153 N 1.14 1.14 -0.08 3.43 0.00 -1.58 -2.96 119.26 120.35 3ikm h ALA 153 Ca 0.12 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 3ikm h ALA 153 Cb 0.01 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.74 3ikm h ALA 153 CO -0.06 0.51 -0.40 0.00 0.00 0.00 0.00 179.25 179.30 3ikm h ALA 154 N 1.59 0.15 -0.80 0.00 0.00 -0.96 -3.16 119.26 116.08 3ikm h ALA 154 Ca -0.00 -0.47 0.07 0.00 0.00 0.00 0.00 54.91 54.51 3ikm h ALA 154 Cb 0.82 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.50 3ikm h ALA 154 CO 0.05 0.26 -0.51 -0.91 0.00 0.00 0.00 179.25 178.15 3ikm h ASN 155 N -0.06 -1.85 0.12 0.00 2.35 -0.22 0.20 115.58 116.11 3ikm h ASN 155 Ca -0.03 0.28 -0.03 0.00 -0.55 0.00 0.00 56.30 55.97 3ikm h ASN 155 Cb 1.05 0.81 -0.00 0.00 0.05 0.00 0.00 38.32 40.23 3ikm h ASN 155 CO 0.08 -0.22 -0.12 -0.07 -1.65 0.00 0.00 177.43 175.45 3ikm h LEU 156 N -0.05 0.00 -0.35 1.61 3.38 -1.65 -0.34 115.31 117.92 3ikm h LEU 156 Ca 0.13 -0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.92 3ikm h LEU 156 Cb 0.38 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 3ikm h LEU 156 CO -0.78 0.13 -0.58 -0.07 0.09 0.00 0.00 178.44 177.23 3ikm h LEU 157 N 0.00 0.86 -0.31 1.67 3.38 -0.91 -2.38 115.31 117.61 3ikm h LEU 157 Ca -0.00 -0.47 -0.07 0.00 0.09 0.00 0.00 57.88 57.43 3ikm h LEU 157 Cb 0.22 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3ikm h LEU 157 CO 0.02 1.25 -0.09 -0.07 0.09 0.00 0.00 178.44 179.64 3ikm h LEU 158 N 0.58 0.62 0.00 1.67 4.07 0.29 -3.18 115.31 119.36 3ikm h LEU 158 Ca 0.00 -0.37 0.00 0.00 0.08 0.00 0.00 57.88 57.59 3ikm h LEU 158 Cb 1.17 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.74 3ikm h LEU 158 CO 0.12 0.85 -0.12 1.67 -1.08 0.00 0.00 178.44 179.87 3ikm n GLN 159 N -4.45 0.06 -1.47 1.13 -0.06 -0.23 -4.92 117.38 107.44 3ikm n GLN 159 Ca -0.03 0.04 -0.54 0.00 -2.00 0.00 0.00 57.00 54.48 3ikm n GLN 159 Cb 0.33 -1.56 -0.06 0.00 -4.06 0.00 0.00 30.24 24.89 3ikm n GLN 159 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3ikm n ALA 160 N -1.57 -3.04 -0.02 1.69 0.00 -0.90 -4.96 120.51 111.71 3ikm n ALA 160 Ca 0.06 0.52 -0.16 0.00 0.00 0.00 0.00 53.44 53.87 3ikm n ALA 160 Cb 0.36 -1.73 -0.14 0.00 0.00 0.00 0.00 19.45 17.94 3ikm n ALA 160 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3ikm n GLN 161 N 1.33 0.70 -2.49 0.00 -0.06 -1.26 -4.87 117.38 110.74 3ikm n GLN 161 Ca 0.19 0.24 -0.39 0.00 -2.00 0.00 0.00 57.00 55.04 3ikm n GLN 161 Cb 0.16 -1.71 -0.03 0.00 -4.06 0.00 0.00 30.24 24.61 3ikm n GLN 161 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 3ikm s LEU 162 N -6.56 3.52 0.00 1.69 1.43 -1.26 -5.02 118.68 112.48 3ikm s LEU 162 Ca -0.17 -1.60 0.00 0.00 -1.03 0.00 0.00 54.13 51.34 3ikm s LEU 162 Cb 0.07 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.72 3ikm s LEU 162 CO 0.78 -1.64 0.00 -2.65 0.23 0.00 0.00 176.35 173.07 3ikm n PRO 163 N 8.75 0.83 -4.10 1.29 -0.02 -1.26 -4.92 135.00 135.57 3ikm n PRO 163 Ca 0.38 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.53 3ikm n PRO 163 Cb 0.49 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.90 3ikm n PRO 163 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3ikm s PRO 164 N 0.00 3.02 -0.37 0.52 0.05 -1.26 -5.02 135.00 131.95 3ikm s PRO 164 Ca 0.00 -0.53 0.00 0.00 0.05 0.00 0.00 61.00 60.52 3ikm s PRO 164 Cb 0.00 -2.83 0.13 0.00 0.05 0.00 0.00 34.50 31.85 3ikm s PRO 164 CO 0.00 0.63 0.20 0.15 0.05 0.00 0.00 177.00 178.03 3ikm s LYS 165 N -1.87 0.73 -0.86 4.56 -0.14 -1.26 -5.06 119.74 115.84 3ikm s LYS 165 Ca 0.24 -1.41 -0.22 0.00 -1.36 0.00 0.00 55.97 53.23 3ikm s LYS 165 Cb -0.12 -1.64 0.08 0.00 -1.68 0.00 0.00 37.83 34.48 3ikm s LYS 165 CO 0.16 -1.16 1.18 -2.14 -0.76 0.00 0.00 175.35 172.63 3ikm s PRO 166 N 1.03 3.42 0.00 -1.68 0.02 -1.26 -4.43 135.00 132.11 3ikm s PRO 166 Ca 0.16 -1.20 0.00 0.00 0.02 0.00 0.00 61.00 59.98 3ikm s PRO 166 Cb -0.22 -4.76 0.00 0.00 0.02 0.00 0.00 34.50 29.54 3ikm s PRO 166 CO -0.06 -1.93 0.00 -2.30 -0.33 0.00 0.00 177.00 172.38 3ikm n PRO 167 N 7.72 0.86 -0.10 5.54 -0.02 -1.26 -4.88 135.00 142.86 3ikm n PRO 167 Ca 0.16 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.60 3ikm n PRO 167 Cb 0.49 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.93 3ikm n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ikm h ALA 168 N -2.00 -0.35 0.00 3.55 0.00 -1.95 -3.47 119.26 115.04 3ikm h ALA 168 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ikm h ALA 168 Cb 0.00 1.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3ikm h ALA 168 CO 0.00 -0.48 0.00 -2.67 0.00 0.00 0.00 179.25 176.10 3ikm n TRP 169 N -3.78 0.00 0.00 0.00 2.14 -1.26 -5.01 117.44 109.52 3ikm n TRP 169 Ca -0.00 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.57 3ikm n TRP 169 Cb 0.11 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.61 3ikm n TRP 169 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 3ikm n ALA 170 N 0.00 0.00 -1.62 -1.67 0.00 -1.26 -5.04 120.51 110.93 3ikm n ALA 170 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ikm n ALA 170 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3ikm n ALA 170 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 3ikm n TRP 171 N 0.00 0.00 -4.29 0.00 4.27 -1.26 -5.12 117.44 111.04 3ikm n TRP 171 Ca 0.00 0.00 -0.23 0.00 -3.89 0.00 0.00 57.50 53.38 3ikm n TRP 171 Cb 0.00 0.00 -0.17 0.00 -1.36 0.00 0.00 31.31 29.78 3ikm n TRP 171 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3ikm s ALA 172 N -1.00 1.03 0.00 -1.67 0.00 -1.21 -2.57 121.76 116.34 3ikm s ALA 172 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.67 3ikm s ALA 172 Cb 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 23.12 22.54 3ikm s ALA 172 CO 0.00 -0.04 0.00 0.39 0.00 0.00 0.00 175.76 176.11 3ikm n GLU 173 N 4.14 0.00 0.00 0.00 1.02 0.22 -4.93 120.64 121.09 3ikm n GLU 173 Ca -0.21 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.93 3ikm n GLU 173 Cb 0.51 -0.23 0.00 0.00 -0.02 0.00 0.00 31.44 31.71 3ikm n GLU 173 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ikm n GLY 174 N -2.00 0.67 5.00 0.62 0.00 -1.24 -4.38 105.19 103.86 3ikm n GLY 174 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 0.00 0.00 0.00 1.61 2.14 -1.26 -3.99 117.44 115.94 3ikm n TRP 175 Ca 0.00 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.57 3ikm n TRP 175 Cb 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.50 3ikm n TRP 175 CO 0.00 0.00 0.00 -2.37 2.07 0.00 0.00 177.69 177.39 3ikm n THR 176 N 0.00 0.00 -0.02 -1.67 5.66 -1.26 -4.43 114.28 112.56 3ikm n THR 176 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3ikm n THR 176 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 3ikm n THR 176 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 3ikm n ARG 177 N 0.00 0.00 -1.84 1.09 1.85 -1.07 -4.50 116.66 112.19 3ikm n ARG 177 Ca 0.00 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.43 3ikm n ARG 177 Cb 0.00 -0.84 -0.03 0.00 -1.05 0.00 0.00 32.46 30.55 3ikm n ARG 177 CO 0.00 0.00 0.00 1.52 -0.01 0.00 0.00 177.63 179.14 3ikm s TYR 178 N -2.56 1.61 0.06 2.89 -0.85 -1.26 -4.63 117.35 112.61 3ikm s TYR 178 Ca 0.00 -0.07 -0.11 0.00 -0.52 0.00 0.00 57.07 56.37 3ikm s TYR 178 Cb 0.00 -4.07 0.01 0.00 0.38 0.00 0.00 41.96 38.27 3ikm s TYR 178 CO 0.00 -4.60 0.24 0.20 -1.52 0.00 0.00 175.55 169.86 3ikm s GLY 179 N 4.20 -0.01 0.55 5.49 0.00 -1.26 -4.88 107.32 111.40 3ikm s GLY 179 Ca 0.82 -0.30 0.24 0.00 0.00 0.00 0.00 44.72 45.48 3ikm s GLY 179 CO 0.35 -0.49 2.18 -2.55 0.00 0.00 0.00 173.10 172.59 3ikm h PRO 180 N 3.07 0.00 0.00 2.90 0.11 -2.04 -3.41 132.00 132.63 3ikm h PRO 180 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3ikm h PRO 180 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3ikm h PRO 180 CO 0.50 0.03 0.00 -1.91 -0.21 0.00 0.00 178.00 176.42 3ikm n GLU 181 N -4.07 0.00 0.00 1.05 4.07 -1.26 -5.20 120.64 115.23 3ikm n GLU 181 Ca -0.03 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.07 3ikm n GLU 181 Cb 0.12 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.50 3ikm n GLU 181 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3ikm n GLY 182 N 0.19 3.14 0.00 8.31 0.00 -1.26 -4.95 105.19 110.63 3ikm n GLY 182 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3ikm n GLY 182 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3ikm n GLU 183 N 0.00 0.00 0.00 1.61 0.00 -1.26 -2.60 120.64 118.39 3ikm n GLU 183 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 3ikm n GLU 183 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 3ikm n GLU 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3ikm n ALA 184 N -3.00 0.00 -1.18 -1.84 0.00 -1.26 -4.93 120.51 108.30 3ikm n ALA 184 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3ikm n ALA 184 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3ikm n ALA 184 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3ikm n VAL 185 N 0.00 0.00 -2.83 0.00 3.14 -1.26 -4.10 118.33 113.28 3ikm n VAL 185 Ca 0.00 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.95 3ikm n VAL 185 Cb 0.00 -0.98 -0.03 0.00 -1.06 0.00 0.00 33.84 31.77 3ikm n VAL 185 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 3ikm s PRO 186 N -2.09 3.38 0.03 1.45 0.04 -1.26 -4.45 135.00 132.10 3ikm s PRO 186 Ca 0.00 -1.23 0.19 0.00 0.04 0.00 0.00 61.00 60.01 3ikm s PRO 186 Cb 0.00 -4.67 -0.18 0.00 0.04 0.00 0.00 34.50 29.69 3ikm s PRO 186 CO 0.00 -1.87 0.67 0.28 0.04 0.00 0.00 177.00 176.12 3ikm n VAL 187 N 5.90 0.81 -0.24 -0.36 0.31 -1.26 -4.80 118.33 118.70 3ikm n VAL 187 Ca 0.13 -0.64 0.00 0.00 -0.01 0.00 0.00 64.34 63.82 3ikm n VAL 187 Cb 0.48 -0.44 0.00 0.00 -0.91 0.00 0.00 33.84 32.97 3ikm n VAL 187 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ikm n ALA 188 N -2.37 0.00 0.00 3.52 0.00 -1.26 -5.18 120.51 115.21 3ikm n ALA 188 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3ikm n ALA 188 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.21 3ikm n ALA 188 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3ikm n ILE 189 N 0.00 0.00 -2.08 0.00 -5.35 -1.26 -4.91 119.36 105.76 3ikm n ILE 189 Ca 0.00 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 62.05 3ikm n ILE 189 Cb 0.00 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 37.87 3ikm n ILE 189 CO 0.00 0.00 0.00 -2.84 -1.76 0.00 0.00 176.55 171.95 3ikm s PRO 190 N -1.74 3.81 0.00 6.28 0.02 -1.26 -4.79 135.00 137.32 3ikm s PRO 190 Ca 0.00 1.73 0.21 0.00 0.02 0.00 0.00 61.00 62.96 3ikm s PRO 190 Cb 0.00 -4.05 0.55 0.00 0.02 0.00 0.00 34.50 31.03 3ikm s PRO 190 CO 0.00 -1.29 1.47 0.39 -0.33 0.00 0.00 177.00 177.24 3ikm n GLU 191 N 7.66 2.46 -0.31 5.54 1.02 -1.26 -4.46 120.64 131.28 3ikm n GLU 191 Ca 0.19 -2.26 0.19 0.00 -0.02 0.00 0.00 57.16 55.26 3ikm n GLU 191 Cb 0.45 -1.50 0.45 0.00 -0.02 0.00 0.00 31.44 30.82 3ikm n GLU 191 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 3ikm h GLU 192 N 3.83 0.50 0.00 3.49 -0.00 -1.97 -3.47 114.58 116.95 3ikm h GLU 192 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 59.36 59.33 3ikm h GLU 192 Cb 0.87 -0.11 0.00 0.00 -0.00 0.00 0.00 28.75 29.51 3ikm h GLU 192 CO 0.00 0.33 0.00 0.54 -0.00 0.00 0.00 179.01 179.88 3ikm n ARG 193 N -4.64 0.00 0.00 1.06 1.74 -1.26 -4.79 116.66 108.76 3ikm n ARG 193 Ca 0.23 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 3ikm n ARG 193 Cb 0.73 -1.75 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 3ikm n ARG 193 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ikm n ALA 194 N 0.17 0.00 -3.00 7.54 0.00 -1.26 -3.20 120.51 120.76 3ikm n ALA 194 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ikm n ALA 194 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3ikm n ALA 194 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ikm n LEU 195 N 0.00 0.00 -4.18 0.00 4.77 -1.26 -4.48 117.00 111.85 3ikm n LEU 195 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 3ikm n LEU 195 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 3ikm n LEU 195 CO 0.00 0.00 -0.25 -0.69 -1.33 0.00 0.00 177.39 175.12 3ikm s VAL 196 N -2.65 0.04 0.11 4.08 1.01 -1.26 -4.16 120.40 117.56 3ikm s VAL 196 Ca 0.00 -1.95 -0.26 0.00 0.00 0.00 0.00 61.98 59.77 3ikm s VAL 196 Cb 0.00 -2.33 0.07 0.00 0.00 0.00 0.00 36.38 34.12 3ikm s VAL 196 CO 0.00 -0.16 0.85 -0.36 0.00 0.00 0.00 175.10 175.43 3ikm s PHE 197 N -4.12 -0.28 0.21 5.22 0.08 -1.25 -3.75 117.98 114.09 3ikm s PHE 197 Ca 0.33 0.03 -0.02 0.00 0.12 0.00 0.00 56.93 57.39 3ikm s PHE 197 Cb 0.07 0.60 -0.04 0.00 -0.57 0.00 0.00 43.02 43.08 3ikm s PHE 197 CO 0.08 -0.78 0.17 0.16 -0.10 0.00 0.00 175.22 174.76 3ikm s ASP 198 N -2.74 0.16 -0.12 1.36 1.47 -1.11 -4.91 116.67 110.78 3ikm s ASP 198 Ca 0.08 -1.35 -0.18 0.00 1.18 0.00 0.00 52.55 52.28 3ikm s ASP 198 Cb -0.02 0.41 0.04 0.00 -0.34 0.00 0.00 42.92 43.01 3ikm s ASP 198 CO -0.04 -0.88 0.45 -0.69 0.68 0.00 0.00 175.17 174.70 3ikm s VAL 199 N -4.13 0.02 0.22 2.11 1.01 -1.26 -2.35 120.40 116.02 3ikm s VAL 199 Ca 0.37 -0.12 0.10 0.00 0.00 0.00 0.00 61.98 62.32 3ikm s VAL 199 Cb 0.06 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 3ikm s VAL 199 CO 0.12 -0.07 -0.11 -1.83 0.00 0.00 0.00 175.10 173.21 3ikm s GLU 200 N -0.36 1.99 -0.17 2.72 4.04 -1.15 -4.79 118.70 120.98 3ikm s GLU 200 Ca -0.05 -1.41 -0.09 0.00 0.04 0.00 0.00 54.97 53.46 3ikm s GLU 200 Cb -0.03 -2.06 0.06 0.00 0.02 0.00 0.00 34.13 32.11 3ikm s GLU 200 CO 0.03 0.40 0.41 0.08 -1.84 0.00 0.00 175.26 174.34 3ikm s VAL 201 N -1.96 -0.03 0.78 1.83 1.01 -1.26 -3.12 120.40 117.65 3ikm s VAL 201 Ca 0.27 0.09 -0.11 0.00 0.00 0.00 0.00 61.98 62.23 3ikm s VAL 201 Cb -0.08 -0.61 0.06 0.00 0.00 0.00 0.00 36.38 35.76 3ikm s VAL 201 CO 0.16 0.04 1.09 0.00 0.00 0.00 0.00 175.10 176.38 3ikm n LEU 203 N -3.44 1.62 -0.14 0.00 4.77 -1.26 -0.76 117.00 117.78 3ikm n LEU 203 Ca 0.07 -0.81 0.00 0.00 -0.03 0.00 0.00 56.01 55.24 3ikm n LEU 203 Cb 0.55 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 3ikm n LEU 203 CO 0.56 0.34 0.38 0.00 -1.33 0.00 0.00 177.39 177.34 3ikm n ALA 204 N 0.21 2.38 0.00 -1.18 0.00 -1.26 -4.71 120.51 115.94 3ikm n ALA 204 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3ikm n ALA 204 Cb 0.30 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.75 3ikm n ALA 204 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3ikm n GLU 205 N -0.34 0.00 -1.68 0.00 4.07 0.06 -4.85 120.64 117.90 3ikm n GLU 205 Ca 0.00 0.00 -0.55 0.00 -0.06 0.00 0.00 57.16 56.55 3ikm n GLU 205 Cb 0.06 -2.02 -0.07 0.00 -0.06 0.00 0.00 31.44 29.36 3ikm n GLU 205 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3ikm n GLY 206 N -0.54 0.79 0.00 8.31 0.00 -1.21 -4.73 105.19 107.82 3ikm n GLY 206 Ca 0.00 0.86 0.06 0.00 0.00 0.00 0.00 46.02 46.94 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 4.05 0.37 -1.71 2.61 -2.24 -1.26 -3.90 114.28 112.20 3ikm n THR 207 Ca 0.24 0.09 -0.31 0.00 -2.27 0.00 0.00 64.05 61.80 3ikm n THR 207 Cb 0.16 -0.90 0.04 0.00 -2.10 0.00 0.00 70.33 67.53 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 -5.16 2.76 0.00 0.00 0.02 -1.26 -4.13 135.00 127.24 3ikm s PRO 209 Ca 0.58 0.43 0.09 0.00 0.02 0.00 0.00 61.00 62.11 3ikm s PRO 209 Cb -0.13 -2.01 0.14 0.00 0.02 0.00 0.00 34.50 32.52 3ikm s PRO 209 CO 0.54 -1.10 0.97 0.25 -0.33 0.00 0.00 177.00 177.34 3ikm n THR 210 N -3.04 0.00 0.00 0.99 -2.24 -1.18 -4.15 114.28 104.65 3ikm n THR 210 Ca 0.07 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 3ikm n THR 210 Cb 0.57 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 3ikm n THR 210 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3ikm n LEU 211 N 0.16 0.00 -3.68 3.22 7.94 -1.26 -4.15 117.00 119.23 3ikm n LEU 211 Ca -0.07 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.67 3ikm n LEU 211 Cb 0.81 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 44.62 3ikm n LEU 211 CO -0.06 0.00 -0.20 0.00 -1.11 0.00 0.00 177.39 176.02 3ikm s ALA 212 N -1.07 -0.31 0.14 1.96 0.00 -1.26 -2.95 121.76 118.28 3ikm s ALA 212 Ca 0.00 0.71 -0.27 0.00 0.00 0.00 0.00 51.96 52.39 3ikm s ALA 212 Cb 0.00 -0.81 -0.07 0.00 0.00 0.00 0.00 23.12 22.24 3ikm s ALA 212 CO 0.00 -0.51 0.85 0.08 0.00 0.00 0.00 175.76 176.19 3ikm s VAL 213 N 2.11 4.43 -0.00 0.00 1.01 -0.99 -2.60 120.40 124.35 3ikm s VAL 213 Ca 0.00 1.86 0.02 0.00 0.00 0.00 0.00 61.98 63.86 3ikm s VAL 213 Cb -0.12 -4.22 -0.01 0.00 0.00 0.00 0.00 36.38 32.04 3ikm s VAL 213 CO -0.07 0.43 -0.07 0.00 0.00 0.00 0.00 175.10 175.39 3ikm s ALA 214 N -0.60 0.60 0.00 5.51 0.00 -1.26 -2.74 121.76 123.27 3ikm s ALA 214 Ca 0.40 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.04 3ikm s ALA 214 Cb -0.23 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.74 3ikm s ALA 214 CO 0.28 0.14 0.00 1.51 0.00 0.00 0.00 175.76 177.69 3ikm n ILE 215 N 2.86 0.00 0.00 0.00 3.06 -1.25 -4.41 119.36 119.63 3ikm n ILE 215 Ca -0.13 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.12 3ikm n ILE 215 Cb 0.57 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.75 3ikm n ILE 215 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 3ikm n SER 216 N 0.00 0.00 0.00 9.51 3.41 -1.26 -3.76 113.62 121.52 3ikm n SER 216 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3ikm n SER 216 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3ikm n SER 216 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3ikm n PRO 217 N 0.00 0.00 -3.64 4.33 -0.02 -1.26 -5.02 135.00 129.39 3ikm n PRO 217 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.45 3ikm n PRO 217 Cb 0.00 -0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.42 3ikm n PRO 217 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3ikm s SER 218 N -1.94 -0.07 0.23 2.55 1.04 -1.25 -4.85 113.70 109.43 3ikm s SER 218 Ca 0.00 0.10 -0.14 0.00 0.48 0.00 0.00 55.95 56.38 3ikm s SER 218 Cb 0.00 0.09 0.05 0.00 0.10 0.00 0.00 66.02 66.27 3ikm s SER 218 CO 0.00 -0.04 0.73 0.00 0.98 0.00 0.00 173.24 174.91 3ikm n ALA 219 N 1.03 -1.78 -3.83 5.32 0.00 -1.26 -4.31 120.51 115.68 3ikm n ALA 219 Ca -0.05 -0.92 -0.06 0.00 0.00 0.00 0.00 53.44 52.40 3ikm n ALA 219 Cb 0.58 0.64 -0.01 0.00 0.00 0.00 0.00 19.45 20.66 3ikm n ALA 219 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3ikm s TRP 220 N -3.21 -0.11 1.13 0.00 -0.11 -1.26 -4.20 118.94 111.18 3ikm s TRP 220 Ca 0.15 -0.35 -0.15 0.00 1.22 0.00 0.00 56.10 56.98 3ikm s TRP 220 Cb -0.03 0.72 0.21 0.00 -1.50 0.00 0.00 33.47 32.86 3ikm s TRP 220 CO 0.07 -1.20 0.64 0.66 -4.62 0.00 0.00 176.95 172.50 3ikm n TYR 221 N -0.49 -1.22 0.00 5.86 0.53 -1.07 -3.70 117.16 117.08 3ikm n TYR 221 Ca -0.05 -0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.83 3ikm n TYR 221 Cb 0.59 -1.67 0.00 0.00 -1.03 0.00 0.00 39.34 37.23 3ikm n TYR 221 CO 0.00 0.00 0.00 -1.13 -1.02 0.00 0.00 176.86 174.71 3ikm n SER 222 N -3.59 0.72 -0.49 7.72 3.41 -1.06 0.71 113.62 121.03 3ikm n SER 222 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 3ikm n SER 222 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 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 0.00 0.00 0.04 7.33 7.02 -1.26 -4.03 117.44 126.54 3ikm n TRP 223 Ca 0.00 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.35 3ikm n TRP 223 Cb 0.00 -0.09 -0.09 0.00 -2.42 0.00 0.00 31.31 28.71 3ikm n TRP 223 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3ikm n SER 225 N -4.97 1.46 -0.02 0.00 2.88 -1.26 -1.42 113.62 110.30 3ikm n SER 225 Ca -0.08 -1.62 0.00 0.00 -1.33 0.00 0.00 58.87 55.84 3ikm n SER 225 Cb 0.21 -0.07 -0.07 0.00 -0.75 0.00 0.00 64.21 63.53 3ikm n SER 225 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 3ikm n GLN 226 N 0.17 1.46 -0.15 -1.46 -0.06 -1.24 -4.42 117.38 111.68 3ikm n GLN 226 Ca 0.17 -0.04 -0.04 0.00 -2.00 0.00 0.00 57.00 55.08 3ikm n GLN 226 Cb 0.31 -1.22 0.05 0.00 -4.06 0.00 0.00 30.24 25.33 3ikm n GLN 226 CO 0.00 0.00 0.00 -0.09 -0.20 0.00 0.00 177.06 176.77 3ikm h ARG 227 N 0.00 0.38 0.00 3.69 1.12 -0.80 -0.64 114.38 118.13 3ikm h ARG 227 Ca -0.12 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.73 3ikm h ARG 227 Cb 0.97 -0.09 0.00 0.00 -0.01 0.00 0.00 29.97 30.85 3ikm h ARG 227 CO 0.01 0.25 0.27 1.47 -3.11 0.00 0.00 179.97 178.85 3ikm n LEU 228 N -4.97 0.25 -1.71 3.80 -0.00 -0.51 0.16 117.00 114.03 3ikm n LEU 228 Ca 0.04 0.49 -0.04 0.00 -0.00 0.00 0.00 56.01 56.50 3ikm n LEU 228 Cb 0.17 -0.45 0.28 0.00 -0.00 0.00 0.00 43.42 43.41 3ikm n LEU 228 CO 0.26 -0.58 0.95 1.33 -0.00 0.00 0.00 177.39 179.35 3ikm n VAL 229 N -1.86 2.79 -4.06 1.47 0.24 -0.25 -4.97 118.33 111.70 3ikm n VAL 229 Ca -0.01 -1.86 -0.22 0.00 -2.04 0.00 0.00 64.34 60.21 3ikm n VAL 229 Cb 0.28 -0.34 -0.04 0.00 -1.47 0.00 0.00 33.84 32.28 3ikm n VAL 229 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3ikm s GLU 230 N -3.03 3.11 0.00 7.34 2.56 0.42 -5.08 118.70 124.02 3ikm s GLU 230 Ca 0.52 -0.95 0.00 0.00 0.00 0.00 0.00 54.97 54.53 3ikm s GLU 230 Cb 0.42 -2.68 0.00 0.00 2.00 0.00 0.00 34.13 33.87 3ikm s GLU 230 CO 0.11 0.41 0.00 0.39 -0.56 0.00 0.00 175.26 175.61 3ikm n GLU 231 N -1.26 -0.02 -1.69 4.30 -0.58 -1.26 -4.88 120.64 115.25 3ikm n GLU 231 Ca -0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 3ikm n GLU 231 Cb 0.58 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.45 3ikm n GLU 231 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3ikm n ARG 232 N -1.01 -2.07 -0.10 3.49 1.74 -1.26 -4.83 116.66 112.62 3ikm n ARG 232 Ca 0.00 1.48 0.05 0.00 -0.77 0.00 0.00 57.85 58.61 3ikm n ARG 232 Cb 0.00 -1.94 0.09 0.00 -1.02 0.00 0.00 32.46 29.60 3ikm n ARG 232 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3ikm n TYR 233 N 0.87 0.20 0.00 -1.55 4.01 -1.26 -4.96 117.16 114.47 3ikm n TYR 233 Ca 0.00 0.36 0.00 0.00 -0.16 0.00 0.00 57.90 58.10 3ikm n TYR 233 Cb 0.00 -0.73 0.00 0.00 -0.31 0.00 0.00 39.34 38.30 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 -4.18 0.00 -4.37 7.72 2.88 -1.26 -5.18 113.62 109.22 3ikm n SER 234 Ca 0.07 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.43 3ikm n SER 234 Cb 0.24 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.60 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 2.69 1.72 0.00 0.66 -2.14 -1.26 -4.92 118.94 115.69 3ikm s TRP 235 Ca 0.00 -0.78 0.00 0.00 2.66 0.00 0.00 56.10 57.98 3ikm s TRP 235 Cb 0.00 -0.96 0.00 0.00 -3.10 0.00 0.00 33.47 29.41 3ikm s TRP 235 CO 0.00 0.15 0.00 0.25 -2.66 0.00 0.00 176.95 174.69 3ikm n THR 236 N -0.47 0.00 -4.51 0.66 -2.24 -1.26 -4.96 114.28 101.50 3ikm n THR 236 Ca -0.06 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.51 3ikm n THR 236 Cb 0.63 -0.14 -0.15 0.00 -2.10 0.00 0.00 70.33 68.58 3ikm n THR 236 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3ikm s SER 237 N -2.28 1.51 0.00 3.42 0.15 -1.26 -5.05 113.70 110.19 3ikm s SER 237 Ca 0.00 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.36 3ikm s SER 237 Cb 0.00 -0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.16 3ikm s SER 237 CO 0.00 0.12 0.00 0.00 1.20 0.00 0.00 173.24 174.56 3ikm n GLN 238 N 2.54 0.00 0.00 5.44 6.02 -1.26 -4.91 117.38 125.21 3ikm n GLN 238 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.84 3ikm n GLN 238 Cb 0.55 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.81 3ikm n GLN 238 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3ikm n LEU 239 N 0.00 0.00 0.00 1.08 4.77 -1.26 -3.88 117.00 117.71 3ikm n LEU 239 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3ikm n LEU 239 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3ikm n LEU 239 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 175.82 3ikm n SER 240 N 0.00 0.00 0.32 -1.43 2.88 -1.26 -4.25 113.62 109.88 3ikm n SER 240 Ca 0.00 0.00 0.21 0.00 -1.33 0.00 0.00 58.87 57.75 3ikm n SER 240 Cb 0.00 0.00 1.09 0.00 -0.75 0.00 0.00 64.21 64.55 3ikm n SER 240 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3ikm h PRO 241 N 0.00 0.00 -0.03 -1.46 0.11 -1.93 0.90 132.00 129.58 3ikm h PRO 241 Ca 0.00 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.12 3ikm h PRO 241 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 3ikm h PRO 241 CO 0.00 0.01 -0.03 0.00 -0.21 0.00 0.00 178.00 177.77 3ikm h ALA 242 N 1.99 0.00 0.00 -0.75 0.00 -1.74 1.00 119.26 119.77 3ikm h ALA 242 Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ikm h ALA 242 Cb 0.08 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3ikm h ALA 242 CO 0.00 -0.51 0.00 -0.40 0.00 0.00 0.00 179.25 178.34 3ikm n ASP 243 N -5.14 0.00 0.00 0.00 5.68 -0.18 -1.40 116.55 115.52 3ikm n ASP 243 Ca -0.06 0.30 0.08 0.00 -0.50 0.00 0.00 54.79 54.62 3ikm n ASP 243 Cb 0.07 -0.42 0.49 0.00 -1.14 0.00 0.00 41.12 40.12 3ikm n ASP 243 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3ikm n LEU 244 N -1.42 0.00 0.12 -2.12 4.77 0.34 -1.66 117.00 117.04 3ikm n LEU 244 Ca 0.07 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.04 3ikm n LEU 244 Cb 0.21 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.38 3ikm n LEU 244 CO 0.18 0.00 0.41 0.16 -1.33 0.00 0.00 177.39 176.81 3ikm h ILE 245 N 0.00 1.29 0.00 -0.08 -0.00 -0.87 -0.85 117.51 117.00 3ikm h ILE 245 Ca 0.00 -2.45 0.00 0.00 -0.00 0.00 0.00 64.86 62.41 3ikm h ILE 245 Cb 0.00 2.40 0.00 0.00 -0.00 0.00 0.00 36.82 39.22 3ikm h ILE 245 CO 0.00 0.65 0.00 -2.65 -0.00 0.00 0.00 178.15 176.15 3ikm n PRO 246 N -3.47 0.88 -0.15 0.16 -0.02 -0.66 -3.27 135.00 128.47 3ikm n PRO 246 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.44 3ikm n PRO 246 Cb 0.73 -1.50 0.14 0.00 -0.02 0.00 0.00 33.50 32.85 3ikm n PRO 246 CO 0.00 0.00 0.00 1.37 1.98 0.00 0.00 175.50 178.85 3ikm h LEU 247 N 0.00 0.84 0.00 2.45 -0.00 -1.25 -3.35 115.31 114.01 3ikm h LEU 247 Ca 0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 57.88 57.70 3ikm h LEU 247 Cb 0.02 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 40.45 3ikm h LEU 247 CO 0.00 0.85 0.00 -1.84 -0.00 0.00 0.00 178.44 177.45 3ikm n GLU 248 N -4.24 0.00 -0.08 0.17 0.00 -1.20 -0.22 120.64 115.07 3ikm n GLU 248 Ca 0.04 0.73 -0.13 0.00 0.00 0.00 0.00 57.16 57.80 3ikm n GLU 248 Cb 0.26 -1.20 -0.09 0.00 0.00 0.00 0.00 31.44 30.41 3ikm n GLU 248 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 3ikm h VAL 249 N 0.00 0.00 -0.99 3.84 2.07 -1.70 0.15 116.25 119.62 3ikm h VAL 249 Ca 0.00 0.00 0.34 0.00 0.82 0.00 0.00 66.70 67.86 3ikm h VAL 249 Cb 0.00 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.61 3ikm h VAL 249 CO 0.00 0.00 0.51 -0.65 0.02 0.00 0.00 177.57 177.45 3ikm h PRO 250 N -0.42 0.19 0.25 1.57 0.11 -1.52 -3.02 132.00 129.17 3ikm h PRO 250 Ca 0.05 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 3ikm h PRO 250 Cb 0.56 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.63 3ikm h PRO 250 CO -0.48 0.13 -0.12 1.79 -0.21 0.00 0.00 178.00 179.11 3ikm h THR 251 N 0.20 0.69 0.00 -1.15 1.35 0.23 -3.49 112.91 110.74 3ikm h THR 251 Ca 0.75 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 3ikm h THR 251 Cb 1.79 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 69.30 3ikm h THR 251 CO -0.68 0.15 0.00 0.61 -0.25 0.00 0.00 175.52 175.36 3ikm n GLY 252 N 0.18 1.93 0.00 5.82 0.00 -0.98 -4.27 105.19 107.86 3ikm n GLY 252 Ca -0.08 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 0.00 -0.66 4.61 0.00 -1.26 -4.16 120.51 119.04 3ikm n ALA 253 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ikm n ALA 253 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.98 0.00 0.00 2.88 -1.26 -4.24 113.62 109.02 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 -0.33 0.00 0.00 -0.75 0.00 0.00 64.21 63.13 3ikm n SER 254 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3ikm n SER 255 N 0.68 0.00 0.06 -3.46 7.64 -1.26 -4.24 113.62 113.05 3ikm n SER 255 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 3ikm n SER 255 Cb 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 3ikm n SER 255 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3ikm h PRO 256 N 0.00 0.10 0.00 1.43 0.11 -1.78 -3.45 132.00 128.40 3ikm h PRO 256 Ca 0.00 -0.17 -0.18 0.00 0.11 0.00 0.00 66.00 65.77 3ikm h PRO 256 Cb 0.00 0.06 0.08 0.00 0.11 0.00 0.00 31.00 31.25 3ikm h PRO 256 CO 0.00 1.01 0.12 -2.37 -0.21 0.00 0.00 178.00 176.55 3ikm n THR 257 N -3.37 0.00 0.00 -1.15 5.66 -1.26 -4.47 114.28 109.68 3ikm n THR 257 Ca -0.06 -0.31 0.00 0.00 -3.05 0.00 0.00 64.05 60.63 3ikm n THR 257 Cb 0.99 -1.46 0.00 0.00 -1.55 0.00 0.00 70.33 68.31 3ikm n THR 257 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3ikm n GLN 258 N -2.55 2.44 -0.05 1.09 3.00 -1.26 -4.87 117.38 115.19 3ikm n GLN 258 Ca 0.07 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.97 3ikm n GLN 258 Cb 0.25 0.00 -0.15 0.00 0.00 0.00 0.00 30.24 30.34 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 0.00 0.65 -0.97 -1.09 3.00 -1.26 -4.93 116.66 112.06 3ikm n ARG 259 Ca 0.00 0.20 0.00 0.00 -0.00 0.00 0.00 57.85 58.05 3ikm n ARG 259 Cb 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 32.46 30.76 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 -2.95 -1.09 -4.28 6.15 5.68 -1.26 -4.95 116.55 113.85 3ikm n ASP 260 Ca -0.22 0.00 -0.45 0.00 -0.50 0.00 0.00 54.79 53.62 3ikm n ASP 260 Cb 1.09 -0.40 -0.06 0.00 -1.14 0.00 0.00 41.12 40.61 3ikm n ASP 260 CO 0.00 0.00 0.00 0.26 -1.33 0.00 0.00 177.20 176.13 3ikm s TRP 261 N -3.13 3.34 0.00 2.11 0.23 -1.26 -4.95 118.94 115.29 3ikm s TRP 261 Ca 0.00 -1.53 0.00 0.00 -2.03 0.00 0.00 56.10 52.54 3ikm s TRP 261 Cb 0.00 -3.72 0.00 0.00 0.03 0.00 0.00 33.47 29.78 3ikm s TRP 261 CO 0.00 -1.01 0.00 1.04 0.96 0.00 0.00 176.95 177.94 3ikm n GLN 262 N 5.02 0.00 -2.39 4.98 1.13 -1.26 -4.89 117.38 119.97 3ikm n GLN 262 Ca -0.10 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.54 3ikm n GLN 262 Cb 0.41 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.73 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 4.41 -0.21 -1.09 -1.05 -1.26 -5.03 118.70 114.48 3ikm s GLU 263 Ca 0.00 1.80 -0.06 0.00 -0.15 0.00 0.00 54.97 56.56 3ikm s GLU 263 Cb 0.00 -3.35 -0.03 0.00 -0.44 0.00 0.00 34.13 30.30 3ikm s GLU 263 CO 0.00 -0.30 0.04 -0.65 0.95 0.00 0.00 175.26 175.30 3ikm s GLN 264 N 1.17 3.75 0.10 -4.83 -1.52 -1.26 -4.80 119.66 112.27 3ikm s GLN 264 Ca 0.59 -0.45 -0.31 0.00 -1.95 0.00 0.00 55.36 53.25 3ikm s GLN 264 Cb -0.30 -3.19 -0.09 0.00 -0.22 0.00 0.00 33.01 29.20 3ikm s GLN 264 CO 0.29 0.05 1.79 -0.48 -0.25 0.00 0.00 175.29 176.68 3ikm s LEU 265 N 0.95 4.39 0.84 2.90 0.05 -1.19 -4.87 118.68 121.75 3ikm s LEU 265 Ca 0.03 2.66 -0.10 0.00 0.05 0.00 0.00 54.13 56.77 3ikm s LEU 265 Cb -0.14 -3.56 0.15 0.00 -2.05 0.00 0.00 46.19 40.58 3ikm s LEU 265 CO 0.02 -0.97 1.17 0.54 -0.55 0.00 0.00 176.35 176.56 3ikm s VAL 266 N 2.90 2.08 -0.12 1.48 0.11 -1.26 -4.53 120.40 121.07 3ikm s VAL 266 Ca 0.79 -0.20 -0.05 0.00 -2.93 0.00 0.00 61.98 59.59 3ikm s VAL 266 Cb -0.44 -2.89 0.05 0.00 -1.53 0.00 0.00 36.38 31.58 3ikm s VAL 266 CO 0.35 0.00 0.25 0.68 -3.33 0.00 0.00 175.10 173.06 3ikm s VAL 267 N -3.56 -0.21 -0.31 2.04 -7.23 -1.13 -3.99 120.40 106.01 3ikm s VAL 267 Ca 0.68 0.21 -0.12 0.00 -1.81 0.00 0.00 61.98 60.95 3ikm s VAL 267 Cb -0.06 -0.41 -0.03 0.00 0.56 0.00 0.00 36.38 36.44 3ikm s VAL 267 CO 0.49 0.09 0.21 -0.83 -0.31 0.00 0.00 175.10 174.75 3ikm s GLY 268 N 1.81 1.94 0.26 2.32 0.00 -1.26 -3.42 107.32 108.97 3ikm s GLY 268 Ca -0.04 -1.24 -0.04 0.00 0.00 0.00 0.00 44.72 43.40 3ikm s GLY 268 CO -0.09 0.71 0.33 0.30 0.00 0.00 0.00 173.10 174.35 3ikm s HIS 269 N 1.73 0.99 -0.42 1.90 3.76 -1.18 -4.64 115.29 117.42 3ikm s HIS 269 Ca 0.06 -1.21 -0.08 0.00 -0.15 0.00 0.00 55.06 53.69 3ikm s HIS 269 Cb -0.17 -0.26 0.09 0.00 1.11 0.00 0.00 32.58 33.36 3ikm s HIS 269 CO 0.10 -0.89 0.25 -0.80 -0.85 0.00 0.00 174.74 172.56 3ikm s ASN 270 N -3.16 5.54 0.45 1.40 0.01 -1.26 0.23 114.94 118.15 3ikm s ASN 270 Ca 0.33 -1.64 0.00 0.00 -0.71 0.00 0.00 52.86 50.84 3ikm s ASN 270 Cb 0.03 -1.95 0.00 0.00 0.41 0.00 0.00 41.25 39.74 3ikm s ASN 270 CO 0.15 -0.55 0.00 0.52 -1.51 0.00 0.00 177.10 175.71 3ikm n VAL 271 N 4.85 0.00 -0.55 1.60 0.31 -1.26 -4.92 118.33 118.36 3ikm n VAL 271 Ca -0.09 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 63.96 3ikm n VAL 271 Cb 0.42 0.00 0.26 0.00 -0.91 0.00 0.00 33.84 33.61 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 0.68 -0.05 4.52 0.01 -1.26 -3.20 113.70 110.40 3ikm s SER 272 Ca 0.00 1.38 0.00 0.00 1.31 0.00 0.00 55.95 58.64 3ikm s SER 272 Cb 0.00 -2.13 0.00 0.00 0.21 0.00 0.00 66.02 64.10 3ikm s SER 272 CO 0.00 -4.37 0.00 0.49 0.41 0.00 0.00 173.24 169.77 3ikm n PHE 273 N -5.02 -0.12 -0.01 2.43 3.72 -1.26 -3.07 117.46 114.13 3ikm n PHE 273 Ca 0.04 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.42 3ikm n PHE 273 Cb 0.55 -0.82 -0.02 0.00 -0.94 0.00 0.00 39.48 38.26 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 2.15 4.14 0.26 4.37 10.43 -1.26 -2.67 116.55 133.98 3ikm n ASP 274 Ca -0.00 -0.01 0.18 0.00 2.57 0.00 0.00 54.79 57.53 3ikm n ASP 274 Cb 0.08 0.31 0.89 0.00 1.84 0.00 0.00 41.12 44.24 3ikm n ASP 274 CO 0.00 0.00 0.00 -0.09 -1.07 0.00 0.00 177.20 176.04 3ikm h ARG 275 N 0.00 0.00 0.00 -1.24 9.65 -1.50 2.21 114.38 123.50 3ikm h ARG 275 Ca -0.07 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.80 3ikm h ARG 275 Cb 1.13 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.71 3ikm h ARG 275 CO -0.00 0.00 -1.37 0.00 2.80 0.00 0.00 179.97 181.39 3ikm n ALA 276 N -1.97 2.59 0.20 2.80 0.00 -1.09 -1.01 120.51 122.03 3ikm n ALA 276 Ca -0.01 -0.35 0.04 0.00 0.00 0.00 0.00 53.44 53.12 3ikm n ALA 276 Cb 0.12 -0.97 0.41 0.00 0.00 0.00 0.00 19.45 19.01 3ikm n ALA 276 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3ikm h HIS 277 N 0.00 0.00 -0.54 0.00 6.17 0.31 1.95 115.15 123.03 3ikm h HIS 277 Ca -0.01 0.00 -0.18 0.00 0.71 0.00 0.00 60.37 60.89 3ikm h HIS 277 Cb 1.03 0.00 -0.11 0.00 2.52 0.00 0.00 27.41 30.85 3ikm h HIS 277 CO 0.00 0.32 0.23 -0.89 0.71 0.00 0.00 177.93 178.30 3ikm n ILE 278 N -4.03 2.22 0.66 6.26 5.41 0.52 -2.78 119.36 127.62 3ikm n ILE 278 Ca -0.02 -1.14 0.11 0.00 1.00 0.00 0.00 62.75 62.70 3ikm n ILE 278 Cb 0.38 -0.50 0.00 0.00 -0.71 0.00 0.00 39.64 38.81 3ikm n ILE 278 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3ikm n ARG 279 N -0.11 0.23 0.00 0.38 3.00 0.66 -4.43 116.66 116.39 3ikm n ARG 279 Ca 0.30 -0.02 0.00 0.00 -0.01 0.00 0.00 57.85 58.13 3ikm n ARG 279 Cb 1.11 -1.56 0.00 0.00 0.00 0.00 0.00 32.46 32.01 3ikm n ARG 279 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3ikm n GLU 280 N -1.84 3.27 0.20 5.56 4.71 -1.18 -4.83 120.64 126.53 3ikm n GLU 280 Ca 0.02 0.00 0.04 0.00 -0.01 0.00 0.00 57.16 57.22 3ikm n GLU 280 Cb 0.41 -0.50 0.42 0.00 -1.01 0.00 0.00 31.44 30.76 3ikm n GLU 280 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 3ikm h GLN 281 N 0.00 0.00 -6.35 3.49 4.20 -1.68 -3.39 115.11 111.38 3ikm h GLN 281 Ca 0.00 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 58.11 3ikm h GLN 281 Cb 0.00 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 27.65 3ikm h GLN 281 CO 0.00 0.32 -0.71 0.71 -0.67 0.00 0.00 178.83 178.48 3ikm s TYR 282 N -4.18 2.60 0.00 2.96 2.02 -1.26 -4.57 117.35 114.92 3ikm s TYR 282 Ca -0.03 -0.24 0.00 0.00 -0.37 0.00 0.00 57.07 56.43 3ikm s TYR 282 Cb 0.14 -1.22 0.00 0.00 -0.40 0.00 0.00 41.96 40.48 3ikm s TYR 282 CO 0.70 0.57 0.00 -0.11 -1.57 0.00 0.00 175.55 175.14 3ikm n LEU 283 N -0.32 0.00 -0.05 -1.29 -0.00 -1.26 -4.85 117.00 109.24 3ikm n LEU 283 Ca -0.09 0.00 0.15 0.00 -0.00 0.00 0.00 56.01 56.07 3ikm n LEU 283 Cb 0.57 0.00 0.80 0.00 -0.00 0.00 0.00 43.42 44.79 3ikm n LEU 283 CO 0.37 0.00 1.03 -0.38 -0.00 0.00 0.00 177.39 178.40 3ikm n ILE 284 N 0.00 0.00 -2.52 1.96 5.41 -1.26 -4.93 119.36 118.01 3ikm n ILE 284 Ca 0.00 -0.02 -0.02 0.00 1.00 0.00 0.00 62.75 63.70 3ikm n ILE 284 Cb 0.00 -0.38 0.01 0.00 -0.71 0.00 0.00 39.64 38.56 3ikm n ILE 284 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3ikm n GLN 285 N -1.03 -0.98 0.00 0.38 6.02 -1.26 -4.90 117.38 115.61 3ikm n GLN 285 Ca 0.19 1.00 0.00 0.00 -0.01 0.00 0.00 57.00 58.18 3ikm n GLN 285 Cb 0.20 -4.23 0.00 0.00 1.02 0.00 0.00 30.24 27.23 3ikm n GLN 285 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ikm n GLY 286 N -1.45 3.75 0.00 1.08 0.00 -1.26 -5.12 105.19 102.19 3ikm n GLY 286 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3ikm n GLY 286 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ikm n SER 287 N 0.00 0.00 -2.42 1.61 3.41 -1.26 -4.84 113.62 110.12 3ikm n SER 287 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.28 3ikm n SER 287 Cb 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.00 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 0.00 2.96 -3.88 4.33 3.00 -1.26 -4.94 116.66 116.87 3ikm n ARG 288 Ca 0.00 -3.64 -0.35 0.00 -0.01 0.00 0.00 57.85 53.85 3ikm n ARG 288 Cb 0.00 -2.28 -0.05 0.00 0.00 0.00 0.00 32.46 30.13 3ikm n ARG 288 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 3ikm s MET 289 N -3.82 3.45 0.03 5.56 -1.94 -1.26 -4.77 119.30 116.56 3ikm s MET 289 Ca 0.58 -0.20 -0.02 0.00 -1.71 0.00 0.00 55.69 54.34 3ikm s MET 289 Cb 0.46 -3.15 -0.02 0.00 2.01 0.00 0.00 34.83 34.13 3ikm s MET 289 CO -0.11 0.73 0.02 1.03 -0.01 0.00 0.00 175.02 176.67 3ikm s ARG 290 N -1.42 0.47 0.00 2.03 0.52 -1.26 -4.94 118.95 114.35 3ikm s ARG 290 Ca 0.20 -0.78 0.00 0.00 -0.52 0.00 0.00 55.73 54.63 3ikm s ARG 290 Cb -0.12 0.17 0.00 0.00 0.52 0.00 0.00 34.95 35.52 3ikm s ARG 290 CO 0.10 -0.10 0.00 1.19 0.02 0.00 0.00 175.30 176.52 3ikm n PHE 291 N 0.99 0.00 0.00 -0.53 0.99 -1.26 -2.84 117.46 114.81 3ikm n PHE 291 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.25 3ikm n PHE 291 Cb 0.57 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.05 3ikm n PHE 291 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 3ikm n LEU 292 N 0.00 0.00 -4.75 4.37 4.77 -1.22 -4.15 117.00 116.01 3ikm n LEU 292 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.62 3ikm n LEU 292 Cb 0.00 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.13 3ikm n LEU 292 CO 0.00 0.00 0.87 -1.81 -1.33 0.00 0.00 177.39 175.12 3ikm s ASP 293 N 0.00 5.16 0.05 -1.43 1.11 -1.26 -3.12 116.67 117.19 3ikm s ASP 293 Ca 0.00 2.47 0.22 0.00 0.18 0.00 0.00 52.55 55.42 3ikm s ASP 293 Cb 0.00 -2.61 -0.10 0.00 1.07 0.00 0.00 42.92 41.29 3ikm s ASP 293 CO 0.00 -1.62 0.86 0.35 1.18 0.00 0.00 175.17 175.94 3ikm n THR 294 N -1.51 0.20 -0.03 -1.27 -2.24 0.62 -3.58 114.28 106.47 3ikm n THR 294 Ca 0.13 -0.36 -0.12 0.00 -2.27 0.00 0.00 64.05 61.43 3ikm n THR 294 Cb 0.49 0.09 -0.14 0.00 -2.10 0.00 0.00 70.33 68.67 3ikm n THR 294 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 3ikm n MET 295 N -2.16 0.67 0.24 -0.78 0.00 -1.26 -3.62 117.12 110.22 3ikm n MET 295 Ca -0.00 0.24 -0.10 0.00 -0.00 0.00 0.00 57.70 57.84 3ikm n MET 295 Cb 0.49 -1.72 -0.05 0.00 0.00 0.00 0.00 33.22 31.94 3ikm n MET 295 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 3ikm h SER 296 N 0.02 -0.53 -0.89 6.12 4.64 -1.74 -1.74 113.55 119.43 3ikm h SER 296 Ca -0.37 0.02 0.24 0.00 -0.47 0.00 0.00 61.79 61.21 3ikm h SER 296 Cb 2.05 0.14 -0.15 0.00 -0.31 0.00 0.00 62.40 64.13 3ikm h SER 296 CO 0.07 -0.37 0.21 0.00 -0.87 0.00 0.00 176.83 175.87 3ikm h MET 297 N -0.63 0.17 0.16 4.77 -0.00 -1.76 0.38 114.93 118.02 3ikm h MET 297 Ca -0.06 -0.01 0.01 0.00 -0.00 0.00 0.00 59.70 59.64 3ikm h MET 297 Cb 0.48 -0.04 -0.04 0.00 -0.00 0.00 0.00 31.60 31.99 3ikm h MET 297 CO 0.10 0.11 -0.48 1.25 -0.00 0.00 0.00 176.91 177.90 3ikm h HIS 298 N 0.17 -1.37 -0.60 -0.10 -0.00 -1.59 1.19 115.15 112.86 3ikm h HIS 298 Ca 0.56 0.03 0.09 0.00 -0.00 0.00 0.00 60.37 61.06 3ikm h HIS 298 Cb 1.15 0.58 -0.11 0.00 -0.00 0.00 0.00 27.41 29.02 3ikm h HIS 298 CO -0.29 -0.57 -0.41 0.52 -0.00 0.00 0.00 177.93 177.18 3ikm h MET 299 N -0.74 -0.19 -0.50 5.26 2.86 0.52 0.61 114.93 122.74 3ikm h MET 299 Ca 0.00 0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.74 3ikm h MET 299 Cb 0.74 0.04 -0.10 0.00 0.06 0.00 0.00 31.60 32.35 3ikm h MET 299 CO -0.24 -0.13 -0.37 0.00 1.06 0.00 0.00 176.91 177.22 3ikm h ALA 300 N 0.75 -0.22 0.00 6.32 0.00 0.18 -2.85 119.26 123.44 3ikm h ALA 300 Ca 0.20 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 3ikm h ALA 300 Cb 0.56 0.82 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 3ikm h ALA 300 CO -0.70 -0.76 -0.66 1.51 0.00 0.00 0.00 179.25 178.64 3ikm n ILE 301 N -5.42 1.44 -3.58 0.00 3.06 0.39 -4.68 119.36 110.56 3ikm n ILE 301 Ca 0.02 0.18 -0.40 0.00 -2.50 0.00 0.00 62.75 60.04 3ikm n ILE 301 Cb 0.35 -2.35 -0.07 0.00 0.54 0.00 0.00 39.64 38.11 3ikm n ILE 301 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 3ikm s SER 302 N -5.89 5.77 0.31 9.51 1.04 0.20 -4.66 113.70 119.97 3ikm s SER 302 Ca -0.18 -2.78 0.03 0.00 0.48 0.00 0.00 55.95 53.50 3ikm s SER 302 Cb 0.03 -1.98 -0.05 0.00 0.10 0.00 0.00 66.02 64.12 3ikm s SER 302 CO 0.28 -0.45 0.11 -0.83 0.98 0.00 0.00 173.24 173.33 3ikm s GLY 303 N 1.24 2.02 0.05 7.32 0.00 -1.07 -3.83 107.32 113.04 3ikm s GLY 303 Ca 0.17 -1.79 0.01 0.00 0.00 0.00 0.00 44.72 43.10 3ikm s GLY 303 CO -0.05 -1.68 -0.05 1.08 0.00 0.00 0.00 173.10 172.40 3ikm s LEU 304 N -3.41 2.37 0.73 0.66 1.43 -1.26 -4.78 118.68 114.41 3ikm s LEU 304 Ca 0.35 -0.76 -0.11 0.00 -1.03 0.00 0.00 54.13 52.58 3ikm s LEU 304 Cb 0.07 0.02 0.03 0.00 0.03 0.00 0.00 46.19 46.33 3ikm s LEU 304 CO 0.15 -0.39 1.08 -0.44 0.23 0.00 0.00 176.35 176.98 3ikm s SER 305 N -2.22 5.18 0.00 2.29 0.01 -1.26 -4.76 113.70 112.94 3ikm s SER 305 Ca -0.02 1.36 0.00 0.00 1.31 0.00 0.00 55.95 58.60 3ikm s SER 305 Cb -0.02 -2.19 0.00 0.00 0.21 0.00 0.00 66.02 64.02 3ikm s SER 305 CO -0.04 -1.54 0.91 -1.54 0.41 0.00 0.00 173.24 171.44 3ikm n SER 306 N -3.16 0.00 -0.05 2.44 3.41 -1.26 -1.30 113.62 113.70 3ikm n SER 306 Ca 0.07 0.91 -0.14 0.00 -0.26 0.00 0.00 58.87 59.44 3ikm n SER 306 Cb 0.55 -0.41 -0.08 0.00 -0.26 0.00 0.00 64.21 64.02 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 0.57 -0.21 7.33 -0.00 -1.94 -3.10 116.94 119.59 3ikm h PHE 307 Ca 0.00 -0.22 0.06 0.00 -0.00 0.00 0.00 57.97 57.81 3ikm h PHE 307 Cb 0.00 -0.10 -0.06 0.00 -0.00 0.00 0.00 35.95 35.79 3ikm h PHE 307 CO -0.60 0.93 -0.19 -0.56 -0.00 0.00 0.00 178.31 177.89 3ikm h GLN 308 N 0.05 -0.20 -0.37 6.09 3.07 -1.96 -1.99 115.11 119.81 3ikm h GLN 308 Ca -0.00 0.01 0.06 0.00 0.09 0.00 0.00 58.65 58.82 3ikm h GLN 308 Cb 0.92 0.05 -0.06 0.00 0.08 0.00 0.00 27.48 28.47 3ikm h GLN 308 CO 0.07 -0.13 0.01 0.07 0.09 0.00 0.00 178.83 178.94 3ikm h ARG 309 N -0.21 0.11 -0.80 0.06 0.11 -1.28 0.45 114.38 112.83 3ikm h ARG 309 Ca 0.13 -0.01 0.15 0.00 0.10 0.00 0.00 59.98 60.35 3ikm h ARG 309 Cb 0.40 -0.03 -0.10 0.00 1.11 0.00 0.00 29.97 31.36 3ikm h ARG 309 CO -0.33 0.07 0.37 0.66 0.10 0.00 0.00 179.97 180.84 3ikm h SER 310 N 0.11 0.40 -0.31 0.08 4.64 -1.30 3.43 113.55 120.60 3ikm h SER 310 Ca 0.18 0.10 -0.14 0.00 -0.47 0.00 0.00 61.79 61.47 3ikm h SER 310 Cb 0.24 0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3ikm h SER 310 CO -0.29 0.15 -0.34 -0.07 -0.87 0.00 0.00 176.83 175.42 3ikm h LEU 311 N 0.52 0.83 -1.23 5.97 3.38 -0.66 -2.08 115.31 122.04 3ikm h LEU 311 Ca 0.44 -0.48 0.01 0.00 0.09 0.00 0.00 57.88 57.95 3ikm h LEU 311 Cb 0.66 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 3ikm h LEU 311 CO -0.39 1.14 0.52 -0.50 0.09 0.00 0.00 178.44 179.30 3ikm h TRP 312 N 0.54 0.98 0.06 1.13 -0.00 0.29 -2.97 115.95 115.97 3ikm h TRP 312 Ca 0.05 0.02 -0.00 0.00 -0.00 0.00 0.00 58.89 58.96 3ikm h TRP 312 Cb 0.92 -0.33 0.00 0.00 -0.00 0.00 0.00 29.16 29.75 3ikm h TRP 312 CO 0.07 0.61 -0.03 -0.84 -0.00 0.00 0.00 178.44 178.25 3ikm h ILE 313 N 1.05 1.17 0.06 1.49 -0.00 0.67 -1.13 117.51 120.83 3ikm h ILE 313 Ca 0.29 -0.80 0.01 0.00 -0.00 0.00 0.00 64.86 64.36 3ikm h ILE 313 Cb -0.10 1.70 -0.03 0.00 -0.00 0.00 0.00 36.82 38.38 3ikm h ILE 313 CO -0.07 0.20 -0.37 0.00 -0.00 0.00 0.00 178.15 177.91 3ikm h ALA 314 N 0.48 -0.85 -0.75 0.16 0.00 -1.28 -2.78 119.26 114.23 3ikm h ALA 314 Ca -0.01 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3ikm h ALA 314 Cb 0.38 0.78 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 3ikm h ALA 314 CO 0.01 -0.95 0.29 0.00 0.00 0.00 0.00 179.25 178.61 3ikm h ALA 315 N -0.83 1.10 -0.06 0.00 0.00 -1.65 -3.30 119.26 114.52 3ikm h ALA 315 Ca -0.00 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.72 3ikm h ALA 315 Cb 0.52 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3ikm h ALA 315 CO -0.21 0.64 0.01 1.57 0.00 0.00 0.00 179.25 181.26 3ikm h LYS 316 N 1.09 0.04 0.00 0.00 2.10 -0.94 -3.36 116.57 115.50 3ikm h LYS 316 Ca 0.25 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.90 3ikm h LYS 316 Cb 0.21 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.53 3ikm h LYS 316 CO -0.02 0.03 -0.05 1.96 -2.00 0.00 0.00 179.45 179.36 3ikm h GLN 317 N 0.04 0.00 -0.08 0.07 1.08 -1.65 -3.51 115.11 111.06 3ikm h GLN 317 Ca 0.03 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.04 3ikm h GLN 317 Cb 0.02 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 27.31 3ikm h GLN 317 CO -0.03 0.00 -0.42 0.41 -0.95 0.00 0.00 178.83 177.83 3ikm n GLY 318 N 1.85 -0.30 2.90 3.46 0.00 -1.24 -5.15 105.19 106.71 3ikm n GLY 318 Ca -0.01 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.33 3ikm n GLY 318 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3ikm s TRP 345 N 0.63 -0.93 -0.16 1.61 -2.14 -1.26 -4.61 118.94 112.08 3ikm s TRP 345 Ca 0.31 0.04 -0.04 0.00 2.66 0.00 0.00 56.10 59.06 3ikm s TRP 345 Cb 0.21 0.17 0.06 0.00 -3.10 0.00 0.00 33.47 30.81 3ikm s TRP 345 CO -0.21 -0.65 0.08 -0.51 -2.66 0.00 0.00 176.95 173.00 3ikm s ASP 346 N 1.70 2.30 -0.10 -2.66 1.11 -1.26 -4.94 116.67 112.82 3ikm s ASP 346 Ca 0.18 -0.57 -0.04 0.00 0.18 0.00 0.00 52.55 52.30 3ikm s ASP 346 Cb 0.02 -0.27 0.00 0.00 1.07 0.00 0.00 42.92 43.74 3ikm s ASP 346 CO -0.11 -0.34 0.14 0.79 1.18 0.00 0.00 175.17 176.84 3ikm n TRP 347 N 5.26 -0.84 0.00 4.23 7.02 -1.26 -5.04 117.44 126.81 3ikm n TRP 347 Ca -0.07 0.34 0.00 0.00 -1.02 0.00 0.00 57.50 56.75 3ikm n TRP 347 Cb 0.49 -2.12 0.00 0.00 -2.42 0.00 0.00 31.31 27.26 3ikm n TRP 347 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 3ikm n LEU 348 N -0.44 0.00 -2.49 -0.99 7.99 -1.26 -4.37 117.00 115.43 3ikm n LEU 348 Ca 0.03 0.00 -0.01 0.00 -0.01 0.00 0.00 56.01 56.02 3ikm n LEU 348 Cb 0.11 0.00 -0.00 0.00 -0.11 0.00 0.00 43.42 43.42 3ikm n LEU 348 CO 0.11 0.00 -0.01 -0.67 -1.51 0.00 0.00 177.39 175.31 3ikm n ASP 349 N 0.00 -1.18 -0.33 -1.43 2.03 -1.26 -4.50 116.55 109.88 3ikm n ASP 349 Ca 0.00 0.48 0.24 0.00 0.52 0.00 0.00 54.79 56.03 3ikm n ASP 349 Cb 0.00 -1.15 0.44 0.00 -0.72 0.00 0.00 41.12 39.70 3ikm n ASP 349 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ikm n ILE 350 N -2.55 -0.41 -3.94 5.18 0.13 -1.26 -4.85 119.36 111.65 3ikm n ILE 350 Ca -0.01 2.08 -0.37 0.00 -1.10 0.00 0.00 62.75 63.35 3ikm n ILE 350 Cb 0.51 -3.21 0.01 0.00 -0.84 0.00 0.00 39.64 36.11 3ikm n ILE 350 CO 0.00 0.00 0.00 -1.54 2.80 0.00 0.00 176.55 177.81 3ikm n SER 351 N -5.34 -4.52 -4.56 9.51 3.41 -1.26 -4.63 113.62 106.22 3ikm n SER 351 Ca 0.31 -1.14 -0.41 0.00 -0.26 0.00 0.00 58.87 57.36 3ikm n SER 351 Cb 1.03 -1.78 -0.08 0.00 -0.26 0.00 0.00 64.21 63.12 3ikm n SER 351 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3ikm s SER 352 N -3.30 6.30 0.40 4.04 0.01 -1.26 -4.39 113.70 115.50 3ikm s SER 352 Ca 0.29 0.02 -0.08 0.00 1.31 0.00 0.00 55.95 57.49 3ikm s SER 352 Cb -0.16 -2.26 -0.07 0.00 0.21 0.00 0.00 66.02 63.75 3ikm s SER 352 CO 0.94 -0.42 -0.29 0.55 0.41 0.00 0.00 173.24 174.42 3ikm n VAL 353 N 5.36 0.00 0.00 3.43 3.14 -1.26 -3.96 118.33 125.04 3ikm n VAL 353 Ca -0.05 -0.22 0.00 0.00 -2.96 0.00 0.00 64.34 61.10 3ikm n VAL 353 Cb 0.49 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.27 3ikm n VAL 353 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 3ikm n ASN 354 N 1.47 0.00 0.00 6.55 0.23 -1.26 -4.75 115.26 117.50 3ikm n ASN 354 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 3ikm n ASN 354 Cb 0.24 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.94 3ikm n ASN 354 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 3ikm n SER 355 N 0.00 0.00 -0.13 0.53 2.88 -1.26 -4.94 113.62 110.70 3ikm n SER 355 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 3ikm n SER 355 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 3ikm n SER 355 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3ikm n ASN 356 N 0.00 -0.34 0.18 -3.46 4.13 -1.26 0.36 115.26 114.87 3ikm n ASN 356 Ca 0.00 0.62 0.13 0.00 1.68 0.00 0.00 54.58 57.01 3ikm n ASN 356 Cb 0.00 -0.10 0.61 0.00 -1.54 0.00 0.00 39.78 38.75 3ikm n ASN 356 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 3ikm h SER 357 N 0.00 0.00 0.14 6.41 0.02 -1.86 -1.68 113.55 116.58 3ikm h SER 357 Ca 0.05 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.69 3ikm h SER 357 Cb 0.13 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 3ikm h SER 357 CO -0.30 0.00 -1.56 -0.07 -1.14 0.00 0.00 176.83 173.76 3ikm h LEU 358 N 0.00 0.45 -1.50 5.07 3.38 -0.22 -3.25 115.31 119.24 3ikm h LEU 358 Ca 0.00 -0.88 -0.03 0.00 0.09 0.00 0.00 57.88 57.06 3ikm h LEU 358 Cb 0.23 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3ikm h LEU 358 CO 0.00 1.69 0.02 0.00 0.09 0.00 0.00 178.44 180.24 3ikm h ALA 359 N 0.00 1.60 -0.58 1.53 0.00 -0.85 0.34 119.26 121.31 3ikm h ALA 359 Ca -0.33 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.49 3ikm h ALA 359 Cb 1.88 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.53 3ikm h ALA 359 CO 0.09 0.30 0.38 1.49 0.00 0.00 0.00 179.25 181.52 3ikm h GLU 360 N 0.33 0.62 0.09 0.00 4.81 -1.38 0.92 114.58 119.98 3ikm h GLU 360 Ca 0.08 -0.04 -0.35 0.00 -0.13 0.00 0.00 59.36 58.92 3ikm h GLU 360 Cb 0.20 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 3ikm h GLU 360 CO 0.00 0.41 -1.96 1.55 -0.73 0.00 0.00 179.01 178.29 3ikm n VAL 361 N -4.47 1.73 -0.01 0.32 3.14 0.28 -3.75 118.33 115.57 3ikm n VAL 361 Ca 0.07 -0.69 -0.11 0.00 -2.96 0.00 0.00 64.34 60.65 3ikm n VAL 361 Cb 0.16 -1.56 -0.09 0.00 -1.06 0.00 0.00 33.84 31.29 3ikm n VAL 361 CO 0.00 0.00 0.00 0.45 -6.46 0.00 0.00 176.83 170.82 3ikm h HIS 362 N 0.05 -0.08 0.00 1.45 3.86 -0.34 -3.44 115.15 116.66 3ikm h HIS 362 Ca -0.40 -0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 58.74 3ikm h HIS 362 Cb 2.03 0.03 -0.01 0.00 1.06 0.00 0.00 27.41 30.52 3ikm h HIS 362 CO 0.06 0.51 -1.23 0.54 0.86 0.00 0.00 177.93 178.67 3ikm n ARG 363 N -4.80 0.09 0.00 2.45 1.74 -0.49 -5.07 116.66 110.58 3ikm n ARG 363 Ca -0.08 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 3ikm n ARG 363 Cb 0.31 -0.93 0.00 0.00 -1.02 0.00 0.00 32.46 30.82 3ikm n ARG 363 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3ikm n LEU 364 N -2.81 0.00 -4.73 0.55 4.32 0.31 -4.99 117.00 109.65 3ikm n LEU 364 Ca -0.07 0.00 -0.23 0.00 -0.02 0.00 0.00 56.01 55.69 3ikm n LEU 364 Cb 0.57 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.31 3ikm n LEU 364 CO 0.03 0.00 -0.25 -0.31 -1.22 0.00 0.00 177.39 175.64 3ikm s TYR 365 N -2.67 2.90 -1.83 -1.77 4.12 -1.26 -4.07 117.35 112.76 3ikm s TYR 365 Ca 0.00 -0.16 0.00 0.00 0.02 0.00 0.00 57.07 56.93 3ikm s TYR 365 Cb 0.00 -1.30 0.00 0.00 -1.52 0.00 0.00 41.96 39.14 3ikm s TYR 365 CO 0.00 0.57 0.00 1.33 0.02 0.00 0.00 175.55 177.47 3ikm n VAL 366 N -1.00 0.00 -2.47 0.71 0.24 -1.26 -4.81 118.33 109.74 3ikm n VAL 366 Ca -0.07 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.83 3ikm n VAL 366 Cb 0.58 -1.71 -0.03 0.00 -1.47 0.00 0.00 33.84 31.21 3ikm n VAL 366 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3ikm s GLY 367 N -2.52 0.93 0.00 7.63 0.00 -1.26 -4.73 107.32 107.37 3ikm s GLY 367 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 44.72 43.01 3ikm s GLY 367 CO 0.00 2.80 0.00 0.61 0.00 0.00 0.00 173.10 176.51 3ikm n GLY 368 N 6.19 0.82 2.99 0.20 0.00 -1.26 -5.07 105.19 109.06 3ikm n GLY 368 Ca 0.21 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 3ikm n GLY 368 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ikm s PRO 369 N 1.25 1.84 -0.07 1.61 0.04 -1.26 -4.99 135.00 133.42 3ikm s PRO 369 Ca 0.00 -2.32 -0.32 0.00 0.04 0.00 0.00 61.00 58.41 3ikm s PRO 369 Cb 0.00 -3.32 -0.10 0.00 0.04 0.00 0.00 34.50 31.12 3ikm s PRO 369 CO 0.00 -1.05 2.00 -2.30 0.04 0.00 0.00 177.00 175.69 3ikm n PRO 370 N 3.61 2.37 0.00 0.56 -0.02 -1.26 -4.31 135.00 135.94 3ikm n PRO 370 Ca 0.05 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 3ikm n PRO 370 Cb 0.36 -2.88 0.00 0.00 -0.02 0.00 0.00 33.50 30.96 3ikm n PRO 370 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3ikm n LYS 371 N 7.46 0.00 0.00 -0.52 2.85 -1.26 -4.63 118.16 122.06 3ikm n LYS 371 Ca 0.24 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.50 3ikm n LYS 371 Cb 0.36 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.74 3ikm n LYS 371 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3ikm n GLU 372 N 0.00 0.00 0.19 -1.58 -0.58 -1.26 -4.64 120.64 112.77 3ikm n GLU 372 Ca 0.00 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.81 3ikm n GLU 372 Cb 0.00 -0.35 0.34 0.00 -0.57 0.00 0.00 31.44 30.86 3ikm n GLU 372 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3ikm h PRO 373 N 0.18 0.00 -6.69 3.49 0.11 -1.95 -3.32 132.00 123.82 3ikm h PRO 373 Ca 0.00 0.00 -0.43 0.00 0.11 0.00 0.00 66.00 65.68 3ikm h PRO 373 Cb 0.00 0.00 0.04 0.00 0.11 0.00 0.00 31.00 31.15 3ikm h PRO 373 CO 0.00 0.33 -0.12 -0.98 -0.21 0.00 0.00 178.00 177.02 3ikm s ARG 374 N -3.54 2.62 0.00 1.05 1.70 -1.26 -2.41 118.95 117.10 3ikm s ARG 374 Ca 0.01 -0.99 0.00 0.00 -0.47 0.00 0.00 55.73 54.28 3ikm s ARG 374 Cb 0.10 -2.59 0.00 0.00 -0.57 0.00 0.00 34.95 31.89 3ikm s ARG 374 CO 0.68 -0.57 0.00 -1.91 -1.08 0.00 0.00 175.30 172.41 3ikm n GLU 375 N -2.17 0.00 0.00 3.89 4.07 -1.26 -4.28 120.64 120.89 3ikm n GLU 375 Ca 0.08 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.18 3ikm n GLU 375 Cb 0.59 -2.29 0.00 0.00 -0.06 0.00 0.00 31.44 29.68 3ikm n GLU 375 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 3ikm n LEU 376 N 0.00 0.24 -3.44 4.31 7.94 -1.25 -3.11 117.00 121.69 3ikm n LEU 376 Ca 0.00 0.00 -0.38 0.00 -1.11 0.00 0.00 56.01 54.52 3ikm n LEU 376 Cb 0.00 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 43.93 3ikm n LEU 376 CO 0.00 0.04 2.92 0.33 -1.11 0.00 0.00 177.39 179.57 3ikm n PHE 377 N -1.51 2.53 0.00 1.96 -0.00 -1.01 -2.28 117.46 117.14 3ikm n PHE 377 Ca 0.00 -2.76 0.00 0.00 -0.00 0.00 0.00 57.45 54.69 3ikm n PHE 377 Cb 0.31 -2.31 0.00 0.00 -0.00 0.00 0.00 39.48 37.48 3ikm n PHE 377 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.76 178.09 3ikm n VAL 378 N 4.35 0.00 -2.33 -2.13 0.24 -1.26 -4.81 118.33 112.39 3ikm n VAL 378 Ca 0.63 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 62.57 3ikm n VAL 378 Cb 0.28 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.62 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 -0.58 3.26 0.00 7.34 0.00 -0.97 -1.87 119.74 126.93 3ikm s LYS 379 Ca 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 55.97 54.39 3ikm s LYS 379 Cb 0.00 -5.39 0.00 0.00 0.00 0.00 0.00 37.83 32.44 3ikm s LYS 379 CO 0.00 -3.09 0.00 0.41 0.00 0.00 0.00 175.35 172.67 3ikm n GLY 380 N 5.63 0.00 3.44 0.59 0.00 -1.26 -4.94 105.19 108.65 3ikm n GLY 380 Ca 0.47 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.12 3ikm n GLY 380 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ikm s THR 381 N 0.00 4.24 0.07 2.61 -4.23 -0.78 -4.91 115.64 112.63 3ikm s THR 381 Ca 0.00 -0.20 0.03 0.00 -1.18 0.00 0.00 61.69 60.34 3ikm s THR 381 Cb 0.00 -2.97 -0.03 0.00 1.34 0.00 0.00 72.50 70.83 3ikm s THR 381 CO 0.00 0.35 -0.08 -0.32 -0.54 0.00 0.00 174.62 174.03 3ikm s MET 382 N 1.56 0.68 0.00 3.99 1.75 -1.26 -4.03 119.30 121.99 3ikm s MET 382 Ca 0.06 -0.99 0.00 0.00 -1.25 0.00 0.00 55.69 53.51 3ikm s MET 382 Cb -0.15 -0.36 0.00 0.00 2.84 0.00 0.00 34.83 37.16 3ikm s MET 382 CO 0.03 0.05 0.00 1.63 -0.65 0.00 0.00 175.02 176.08 3ikm n LYS 383 N 0.92 0.00 0.08 4.11 5.02 -1.26 -4.74 118.16 122.28 3ikm n LYS 383 Ca -0.19 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 55.96 3ikm n LYS 383 Cb 0.57 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.51 3ikm n LYS 383 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3ikm h ASP 384 N 1.14 0.52 -0.71 4.39 5.19 -1.99 -3.36 116.42 121.61 3ikm h ASP 384 Ca 0.00 -0.44 0.12 0.00 -0.62 0.00 0.00 57.03 56.08 3ikm h ASP 384 Cb 0.00 -0.16 -0.12 0.00 0.18 0.00 0.00 39.33 39.23 3ikm h ASP 384 CO 0.00 1.26 -0.26 0.00 -3.12 0.00 0.00 179.24 177.12 3ikm n ILE 385 N -3.71 -0.36 -0.14 0.35 3.06 -1.26 -0.81 119.36 116.50 3ikm n ILE 385 Ca -0.07 1.66 -0.04 0.00 -2.50 0.00 0.00 62.75 61.80 3ikm n ILE 385 Cb 0.87 -2.21 0.04 0.00 0.54 0.00 0.00 39.64 38.89 3ikm n ILE 385 CO 0.00 0.00 0.00 0.08 -2.50 0.00 0.00 176.55 174.13 3ikm h ARG 386 N 0.00 0.19 0.00 9.51 -0.00 -1.92 1.13 114.38 123.29 3ikm h ARG 386 Ca 0.27 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 60.24 3ikm h ARG 386 Cb 0.44 -0.04 0.00 0.00 -0.00 0.00 0.00 29.97 30.37 3ikm h ARG 386 CO -0.71 0.13 0.00 0.39 -0.00 0.00 0.00 179.97 179.78 3ikm n GLU 387 N -5.13 0.00 -0.34 0.08 1.02 0.01 0.14 120.64 116.43 3ikm n GLU 387 Ca 0.04 0.73 0.19 0.00 -0.02 0.00 0.00 57.16 58.09 3ikm n GLU 387 Cb 0.21 -1.40 0.40 0.00 -0.02 0.00 0.00 31.44 30.63 3ikm n GLU 387 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 3ikm h ASN 388 N 0.00 0.59 0.41 1.62 2.35 -1.44 -1.96 115.58 117.15 3ikm h ASN 388 Ca 0.00 0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 3ikm h ASN 388 Cb 0.00 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 3ikm h ASN 388 CO 0.00 0.03 -0.32 0.15 -1.65 0.00 0.00 177.43 175.64 3ikm h PHE 389 N 0.49 -0.86 -0.31 1.19 3.04 0.37 -0.75 116.94 120.12 3ikm h PHE 389 Ca 0.66 -0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.63 3ikm h PHE 389 Cb 1.31 0.32 -0.04 0.00 2.56 0.00 0.00 35.95 40.11 3ikm h PHE 389 CO -0.02 -0.45 -0.18 1.04 -2.02 0.00 0.00 178.31 176.68 3ikm n GLN 390 N -4.31 -0.14 -0.05 1.11 3.00 0.38 0.11 117.38 117.48 3ikm n GLN 390 Ca -0.09 1.04 -0.04 0.00 -0.01 0.00 0.00 57.00 57.91 3ikm n GLN 390 Cb 0.31 -1.55 -0.03 0.00 0.00 0.00 0.00 30.24 28.97 3ikm n GLN 390 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 3ikm h ASP 391 N 0.00 -0.51 0.28 1.08 1.82 -1.49 -3.37 116.42 114.22 3ikm h ASP 391 Ca 0.05 0.07 -0.33 0.00 -0.39 0.00 0.00 57.03 56.43 3ikm h ASP 391 Cb 0.13 0.21 -0.05 0.00 0.68 0.00 0.00 39.33 40.30 3ikm h ASP 391 CO -0.29 -0.10 -1.96 -0.11 -1.61 0.00 0.00 179.24 175.17 3ikm n LEU 392 N -3.46 1.20 0.33 2.28 0.00 0.29 -4.54 117.00 113.10 3ikm n LEU 392 Ca -0.01 0.25 0.03 0.00 0.00 0.00 0.00 56.01 56.29 3ikm n LEU 392 Cb 0.09 -0.10 0.15 0.00 0.00 0.00 0.00 43.42 43.56 3ikm n LEU 392 CO -0.01 0.54 1.02 0.24 0.00 0.00 0.00 177.39 179.19 3ikm h MET 393 N 0.01 0.00 -0.41 1.96 2.86 0.62 5.27 114.93 125.24 3ikm h MET 393 Ca -0.39 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.19 3ikm h MET 393 Cb 2.06 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.70 3ikm h MET 393 CO 0.06 0.00 -0.02 0.37 1.06 0.00 0.00 176.91 178.37 3ikm h GLN 394 N 0.00 0.68 0.26 1.72 -0.00 -1.80 -2.62 115.11 113.35 3ikm h GLN 394 Ca 0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 58.65 58.48 3ikm h GLN 394 Cb 1.76 -0.08 -0.04 0.00 0.00 0.00 0.00 27.48 29.12 3ikm h GLN 394 CO -0.00 0.71 -0.50 1.88 0.00 0.00 0.00 178.83 180.92 3ikm h TYR 395 N 0.63 -1.41 -0.73 3.99 -1.99 1.03 -1.04 116.97 117.46 3ikm h TYR 395 Ca 0.13 0.03 0.07 0.00 2.00 0.00 0.00 58.73 60.95 3ikm h TYR 395 Cb 0.43 0.58 -0.10 0.00 2.00 0.00 0.00 36.73 39.64 3ikm h TYR 395 CO 0.02 -0.61 -0.57 0.00 -0.00 0.00 0.00 178.16 177.00 3ikm n ALA 397 N -3.17 0.00 -0.26 0.00 0.00 -0.90 -0.83 120.51 115.35 3ikm n ALA 397 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 3ikm n ALA 397 Cb 0.29 0.35 0.01 0.00 0.00 0.00 0.00 19.45 20.09 3ikm n ALA 397 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3ikm h GLN 398 N 0.00 -0.12 -0.63 0.00 4.15 -0.39 0.45 115.11 118.57 3ikm h GLN 398 Ca 0.00 0.01 0.12 0.00 0.77 0.00 0.00 58.65 59.55 3ikm h GLN 398 Cb 0.00 0.03 -0.12 0.00 0.21 0.00 0.00 27.48 27.60 3ikm h GLN 398 CO 0.00 -0.08 -0.21 0.22 -1.93 0.00 0.00 178.83 176.83 3ikm h ASP 399 N -0.13 -0.75 -0.50 -0.69 3.58 -0.18 0.61 116.42 118.36 3ikm h ASP 399 Ca 0.25 0.20 0.10 0.00 0.42 0.00 0.00 57.03 58.01 3ikm h ASP 399 Cb 0.56 0.45 -0.10 0.00 1.72 0.00 0.00 39.33 41.96 3ikm h ASP 399 CO -0.77 -0.24 -0.16 0.58 -2.88 0.00 0.00 179.24 175.76 3ikm h VAL 400 N -0.05 0.43 0.22 2.25 2.07 0.18 -2.88 116.25 118.48 3ikm h VAL 400 Ca 0.29 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.82 3ikm h VAL 400 Cb 0.50 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 3ikm h VAL 400 CO -0.67 0.00 -0.37 -0.50 0.02 0.00 0.00 177.57 176.04 3ikm h TRP 401 N -0.05 -1.02 -0.25 1.57 4.06 0.26 -1.81 115.95 118.70 3ikm h TRP 401 Ca 0.24 0.02 0.02 0.00 2.06 0.00 0.00 58.89 61.23 3ikm h TRP 401 Cb 0.41 0.42 -0.04 0.00 -1.00 0.00 0.00 29.16 28.96 3ikm h TRP 401 CO -0.46 -0.49 -0.21 0.00 -3.56 0.00 0.00 178.44 173.72 3ikm h ALA 402 N -0.16 -0.34 -0.18 1.49 0.00 -1.02 1.29 119.26 120.34 3ikm h ALA 402 Ca 0.00 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3ikm h ALA 402 Cb 0.65 1.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.42 3ikm h ALA 402 CO -0.16 -0.46 -0.11 0.25 0.00 0.00 0.00 179.25 178.78 3ikm n THR 403 N -3.74 -0.12 -0.22 0.00 -2.24 -1.09 0.51 114.28 107.38 3ikm n THR 403 Ca -0.00 1.32 -0.07 0.00 -2.27 0.00 0.00 64.05 63.04 3ikm n THR 403 Cb 0.11 -1.72 -0.06 0.00 -2.10 0.00 0.00 70.33 66.56 3ikm n THR 403 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 3ikm h HIS 404 N 0.00 -1.07 -0.31 4.78 -0.00 -0.26 0.57 115.15 118.86 3ikm h HIS 404 Ca 0.03 0.07 0.05 0.00 -0.00 0.00 0.00 60.37 60.52 3ikm h HIS 404 Cb 0.07 0.54 -0.05 0.00 -0.00 0.00 0.00 27.41 27.97 3ikm h HIS 404 CO -0.74 -0.22 0.03 0.93 -0.00 0.00 0.00 177.93 177.93 3ikm h GLU 405 N -0.04 0.13 -0.15 2.45 4.39 0.89 0.63 114.58 122.88 3ikm h GLU 405 Ca 0.08 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 3ikm h GLU 405 Cb 0.25 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 3ikm h GLU 405 CO -0.51 0.08 0.04 -0.39 -1.16 0.00 0.00 179.01 177.07 3ikm h VAL 406 N 0.13 1.20 -0.12 3.13 -1.51 1.40 -2.09 116.25 118.40 3ikm h VAL 406 Ca 0.15 -0.64 -0.02 0.00 -1.23 0.00 0.00 66.70 64.96 3ikm h VAL 406 Cb 0.18 1.34 -0.00 0.00 -2.13 0.00 0.00 31.29 30.67 3ikm h VAL 406 CO -0.22 0.19 0.02 -0.26 -1.23 0.00 0.00 177.57 176.07 3ikm h PHE 407 N 0.05 0.21 0.59 5.19 0.05 0.12 -3.33 116.94 119.82 3ikm h PHE 407 Ca 0.05 -0.03 -0.02 0.00 3.82 0.00 0.00 57.97 61.78 3ikm h PHE 407 Cb 0.26 -0.06 -0.01 0.00 2.00 0.00 0.00 35.95 38.15 3ikm h PHE 407 CO 0.01 0.40 -0.42 0.37 -0.18 0.00 0.00 178.31 178.49 3ikm h GLN 408 N -0.04 -0.93 0.00 1.51 4.15 -0.82 2.73 115.11 121.71 3ikm h GLN 408 Ca 0.04 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.52 3ikm h GLN 408 Cb 0.31 0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.21 3ikm h GLN 408 CO 0.00 -0.62 0.23 1.96 -1.93 0.00 0.00 178.83 178.47 3ikm h GLN 409 N -0.97 0.00 0.00 1.69 4.20 -1.54 -1.20 115.11 117.29 3ikm h GLN 409 Ca -0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.63 3ikm h GLN 409 Cb 0.80 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.58 3ikm h GLN 409 CO 0.04 0.00 -1.27 1.04 -0.67 0.00 0.00 178.83 177.97 3ikm n GLN 410 N -2.80 1.01 0.17 1.46 1.13 -1.09 -4.70 117.38 112.57 3ikm n GLN 410 Ca -0.02 -0.08 0.05 0.00 -1.94 0.00 0.00 57.00 55.01 3ikm n GLN 410 Cb 0.28 -1.19 0.22 0.00 0.11 0.00 0.00 30.24 29.66 3ikm n GLN 410 CO 0.00 0.00 0.00 1.37 -1.44 0.00 0.00 177.06 176.99 3ikm h LEU 411 N 0.00 0.00 0.12 1.08 8.10 0.61 -3.37 115.31 121.86 3ikm h LEU 411 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.98 3ikm h LEU 411 Cb 0.43 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.65 3ikm h LEU 411 CO 0.00 0.43 -0.06 1.55 -4.11 0.00 0.00 178.44 176.25 3ikm h PRO 412 N 0.00 -0.16 -0.88 0.17 0.13 -1.80 -3.23 132.00 126.23 3ikm h PRO 412 Ca -0.00 0.01 0.17 0.00 -0.87 0.00 0.00 66.00 65.31 3ikm h PRO 412 Cb 1.09 0.04 -0.17 0.00 0.13 0.00 0.00 31.00 32.09 3ikm h PRO 412 CO 0.06 -0.11 -0.23 1.28 -0.23 0.00 0.00 178.00 178.77 3ikm n LEU 413 N -3.00 -0.34 0.10 1.56 4.77 -1.26 0.16 117.00 118.98 3ikm n LEU 413 Ca -0.02 1.52 -0.03 0.00 -0.03 0.00 0.00 56.01 57.45 3ikm n LEU 413 Cb 0.07 -0.45 0.17 0.00 -2.33 0.00 0.00 43.42 40.88 3ikm n LEU 413 CO 0.05 -1.45 0.55 -0.26 -1.33 0.00 0.00 177.39 174.95 3ikm h PHE 414 N 0.00 0.25 0.36 -1.77 0.04 -1.75 -0.40 116.94 113.67 3ikm h PHE 414 Ca 0.41 -0.08 -0.02 0.00 2.80 0.00 0.00 57.97 61.08 3ikm h PHE 414 Cb 0.64 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.74 3ikm h PHE 414 CO -0.69 0.68 -0.17 -0.07 -0.60 0.00 0.00 178.31 177.46 3ikm h LEU 415 N 0.16 -0.41 0.00 1.54 4.07 0.15 0.42 115.31 121.24 3ikm h LEU 415 Ca 0.00 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.92 3ikm h LEU 415 Cb 0.98 0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.82 3ikm h LEU 415 CO 0.08 -0.22 0.00 -0.62 -1.08 0.00 0.00 178.44 176.60 3ikm n GLU 416 N -5.26 0.69 0.00 1.13 1.02 0.41 0.23 120.64 118.85 3ikm n GLU 416 Ca -0.10 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.18 3ikm n GLU 416 Cb 0.23 -1.30 0.72 0.00 -0.02 0.00 0.00 31.44 31.08 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 -0.80 0.38 -2.48 3.49 3.00 0.15 -2.63 116.66 117.77 3ikm n ARG 417 Ca 0.10 -0.02 -0.17 0.00 -0.00 0.00 0.00 57.85 57.76 3ikm n ARG 417 Cb 0.04 -1.50 0.02 0.00 0.00 0.00 0.00 32.46 31.03 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 -0.45 0.00 -4.15 0.00 -0.04 -1.08 -4.42 135.00 124.85 3ikm n PRO 419 Ca 0.27 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.59 3ikm n PRO 419 Cb 0.80 -0.25 -0.11 0.00 -0.04 0.00 0.00 33.50 33.90 3ikm n PRO 419 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3ikm s HIS 420 N 0.00 0.97 -0.13 0.54 2.46 -1.26 -4.96 115.29 112.91 3ikm s HIS 420 Ca 0.04 -0.64 -0.08 0.00 0.47 0.00 0.00 55.06 54.85 3ikm s HIS 420 Cb -0.03 -0.54 -0.25 0.00 -0.13 0.00 0.00 32.58 31.63 3ikm s HIS 420 CO 0.02 -0.03 0.33 -0.35 -2.47 0.00 0.00 174.74 172.24 3ikm n PRO 421 N 0.72 0.74 0.20 2.88 -0.04 -1.26 -4.23 135.00 134.00 3ikm n PRO 421 Ca -0.17 0.28 -0.14 0.00 -0.04 0.00 0.00 63.50 63.43 3ikm n PRO 421 Cb 0.57 -1.71 -0.08 0.00 -0.04 0.00 0.00 33.50 32.25 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 -0.03 0.57 -0.85 0.52 2.07 -1.88 -1.31 116.25 115.34 3ikm h VAL 422 Ca -0.43 -0.46 0.16 0.00 0.82 0.00 0.00 66.70 66.79 3ikm h VAL 422 Cb 1.97 0.78 -0.16 0.00 -1.52 0.00 0.00 31.29 32.36 3ikm h VAL 422 CO 0.05 0.08 -0.27 0.74 0.02 0.00 0.00 177.57 178.19 3ikm h THR 423 N -0.81 0.11 -0.29 2.57 2.02 -1.95 0.43 112.91 115.00 3ikm h THR 423 Ca -0.05 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 3ikm h THR 423 Cb 0.53 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 3ikm h THR 423 CO 0.09 0.00 0.14 -0.07 0.37 0.00 0.00 175.52 176.04 3ikm h LEU 424 N -0.03 0.39 -0.36 2.58 3.38 -1.70 -2.50 115.31 117.08 3ikm h LEU 424 Ca 0.37 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 58.10 3ikm h LEU 424 Cb 0.61 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3ikm h LEU 424 CO -0.88 0.42 -0.21 0.00 0.09 0.00 0.00 178.44 177.86 3ikm h ALA 425 N 0.99 0.51 -0.77 1.53 0.00 -0.50 -2.39 119.26 118.62 3ikm h ALA 425 Ca 0.10 -0.37 0.07 0.00 0.00 0.00 0.00 54.91 54.71 3ikm h ALA 425 Cb 0.13 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 3ikm h ALA 425 CO -0.01 0.47 0.50 0.78 0.00 0.00 0.00 179.25 180.99 3ikm h GLY 426 N 0.56 1.04 2.00 0.00 0.00 -0.88 -0.77 103.07 105.02 3ikm h GLY 426 Ca 0.07 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 3ikm h GLY 426 CO 0.06 0.23 -0.09 0.00 0.00 0.00 0.00 176.54 176.74 3ikm h MET 427 N 0.81 0.00 -0.66 4.80 -0.00 -1.32 -2.68 114.93 115.88 3ikm h MET 427 Ca 0.33 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 60.01 3ikm h MET 427 Cb 0.27 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.84 3ikm h MET 427 CO -0.12 0.09 0.33 -0.07 -0.00 0.00 0.00 176.91 177.15 3ikm h LEU 428 N 0.00 0.85 0.00 -0.10 3.38 -0.61 -2.77 115.31 116.06 3ikm h LEU 428 Ca -0.00 -0.12 -0.19 0.00 0.09 0.00 0.00 57.88 57.65 3ikm h LEU 428 Cb 1.01 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 3ikm h LEU 428 CO 0.01 0.73 -1.06 -0.33 0.09 0.00 0.00 178.44 177.89 3ikm h GLU 429 N 0.91 0.00 -0.35 1.13 3.07 -1.52 -3.31 114.58 114.51 3ikm h GLU 429 Ca 0.23 0.00 0.07 0.00 -0.50 0.00 0.00 59.36 59.16 3ikm h GLU 429 Cb 0.10 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 27.94 3ikm h GLU 429 CO -0.03 0.69 -0.10 1.98 -1.40 0.00 0.00 179.01 180.15 3ikm h MET 430 N 0.00 -0.01 -0.86 2.33 4.05 -1.26 -1.88 114.93 117.30 3ikm h MET 430 Ca -0.08 0.00 0.09 0.00 -0.28 0.00 0.00 59.70 59.43 3ikm h MET 430 Cb 1.69 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 32.42 3ikm h MET 430 CO 0.09 -0.01 0.51 0.78 0.23 0.00 0.00 176.91 178.51 3ikm h GLY 431 N -0.01 1.34 -4.33 1.39 0.00 -1.58 -3.03 103.07 96.84 3ikm h GLY 431 Ca 0.17 -0.34 -0.35 0.00 0.00 0.00 0.00 47.33 46.81 3ikm h GLY 431 CO -0.37 0.16 0.65 -0.62 0.00 0.00 0.00 176.54 176.36 3ikm n VAL 432 N -4.70 3.40 -2.06 4.60 0.31 -0.71 -4.83 118.33 114.34 3ikm n VAL 432 Ca 0.14 -2.03 -0.28 0.00 -0.01 0.00 0.00 64.34 62.16 3ikm n VAL 432 Cb 0.27 -2.07 0.15 0.00 -0.91 0.00 0.00 33.84 31.28 3ikm n VAL 432 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3ikm s SER 433 N 1.74 3.68 0.11 4.52 1.04 -1.15 -4.63 113.70 119.01 3ikm s SER 433 Ca 0.66 0.26 -0.07 0.00 0.48 0.00 0.00 55.95 57.27 3ikm s SER 433 Cb 0.30 -0.48 -0.01 0.00 0.10 0.00 0.00 66.02 65.93 3ikm s SER 433 CO -0.05 -2.36 0.18 -0.31 0.98 0.00 0.00 173.24 171.68 3ikm s TYR 434 N -3.66 0.32 -0.29 5.02 2.02 -1.26 -4.92 117.35 114.57 3ikm s TYR 434 Ca 0.70 -0.74 0.01 0.00 -0.37 0.00 0.00 57.07 56.67 3ikm s TYR 434 Cb -0.06 -0.13 0.19 0.00 -0.40 0.00 0.00 41.96 41.57 3ikm s TYR 434 CO 0.50 -0.57 0.59 -0.51 -1.57 0.00 0.00 175.55 173.99 3ikm s LEU 435 N -2.91 -1.45 0.00 -1.29 1.43 -1.25 -4.85 118.68 108.36 3ikm s LEU 435 Ca 0.10 0.61 0.00 0.00 -1.03 0.00 0.00 54.13 53.81 3ikm s LEU 435 Cb 0.05 2.08 0.00 0.00 0.03 0.00 0.00 46.19 48.35 3ikm s LEU 435 CO -0.07 -0.28 0.09 -2.65 0.23 0.00 0.00 176.35 173.67 3ikm n PRO 436 N 5.42 0.00 -0.79 1.29 -0.02 -1.25 -3.05 135.00 136.60 3ikm n PRO 436 Ca 0.01 0.09 0.05 0.00 -2.02 0.00 0.00 63.50 61.63 3ikm n PRO 436 Cb 0.52 -0.47 -0.03 0.00 -0.02 0.00 0.00 33.50 33.50 3ikm n PRO 436 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3ikm n VAL 437 N -0.20 -0.93 -3.96 -1.45 0.31 0.75 -3.69 118.33 109.16 3ikm n VAL 437 Ca 0.00 0.62 -0.10 0.00 -0.01 0.00 0.00 64.34 64.84 3ikm n VAL 437 Cb 0.00 -0.98 -0.03 0.00 -0.91 0.00 0.00 33.84 31.93 3ikm n VAL 437 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3ikm n ASN 438 N -2.77 -0.81 -0.57 4.52 4.13 -1.26 -4.47 115.26 114.04 3ikm n ASN 438 Ca -0.03 -2.29 0.45 0.00 1.68 0.00 0.00 54.58 54.39 3ikm n ASN 438 Cb 0.32 1.55 0.75 0.00 -1.54 0.00 0.00 39.78 40.86 3ikm n ASN 438 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 3ikm h GLN 439 N 0.00 0.02 -0.07 3.52 7.50 0.76 -0.89 115.11 125.96 3ikm h GLN 439 Ca -0.17 -0.00 -0.05 0.00 0.50 0.00 0.00 58.65 58.92 3ikm h GLN 439 Cb 0.79 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.30 3ikm h GLN 439 CO 0.24 0.01 -0.20 -0.91 -1.50 0.00 0.00 178.83 176.47 3ikm h ASN 440 N 0.02 0.10 -0.12 1.46 2.35 -1.94 -3.35 115.58 114.11 3ikm h ASN 440 Ca 0.87 -0.02 0.03 0.00 -0.55 0.00 0.00 56.30 56.63 3ikm h ASN 440 Cb 3.18 -0.03 -0.06 0.00 0.05 0.00 0.00 38.32 41.46 3ikm h ASN 440 CO -0.21 0.31 -0.50 -0.50 -1.65 0.00 0.00 177.43 174.89 3ikm h TRP 441 N 0.10 -1.46 -0.90 1.19 4.06 -1.48 2.08 115.95 119.54 3ikm h TRP 441 Ca 0.02 0.05 0.17 0.00 2.06 0.00 0.00 58.89 61.20 3ikm h TRP 441 Cb 0.42 0.65 -0.07 0.00 -1.00 0.00 0.00 29.16 29.16 3ikm h TRP 441 CO 0.00 -0.53 0.58 0.93 -3.56 0.00 0.00 178.44 175.87 3ikm h GLU 442 N -0.56 0.56 0.12 0.49 3.07 -1.81 0.91 114.58 117.35 3ikm h GLU 442 Ca 0.05 -0.03 -0.17 0.00 -0.50 0.00 0.00 59.36 58.70 3ikm h GLU 442 Cb 0.67 -0.13 0.02 0.00 -0.84 0.00 0.00 28.75 28.48 3ikm h GLU 442 CO -0.41 0.37 -0.74 -0.09 -1.40 0.00 0.00 179.01 176.73 3ikm h ARG 443 N 0.57 0.30 -0.45 2.33 9.65 -1.05 0.58 114.38 126.31 3ikm h ARG 443 Ca 0.47 -0.48 0.02 0.00 -1.10 0.00 0.00 59.98 58.90 3ikm h ARG 443 Cb 0.92 0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 29.65 3ikm h ARG 443 CO -0.21 1.21 0.30 -0.92 2.80 0.00 0.00 179.97 183.15 3ikm h TYR 444 N -0.37 0.50 0.05 2.20 3.20 0.42 0.64 116.97 123.60 3ikm h TYR 444 Ca -0.13 0.01 -0.23 0.00 3.14 0.00 0.00 58.73 61.52 3ikm h TYR 444 Cb 1.57 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 39.66 3ikm h TYR 444 CO 0.20 0.30 -1.05 1.25 -1.64 0.00 0.00 178.16 177.22 3ikm h LEU 445 N 0.52 0.34 -0.03 2.82 6.46 0.86 -2.73 115.31 123.56 3ikm h LEU 445 Ca 0.18 -0.32 -0.26 0.00 -0.12 0.00 0.00 57.88 57.36 3ikm h LEU 445 Cb 0.06 -0.11 0.01 0.00 -0.73 0.00 0.00 40.66 39.90 3ikm h LEU 445 CO -0.04 1.18 -1.09 0.00 -0.62 0.00 0.00 178.44 177.88 3ikm h ALA 446 N 0.78 0.19 -0.37 1.25 0.00 0.10 -0.51 119.26 120.70 3ikm h ALA 446 Ca -0.08 -0.75 -0.10 0.00 0.00 0.00 0.00 54.91 53.98 3ikm h ALA 446 Cb 1.73 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.54 3ikm h ALA 446 CO 0.17 0.79 -0.17 0.93 0.00 0.00 0.00 179.25 180.96 3ikm h GLU 447 N 0.25 0.68 -0.70 0.00 5.08 -1.02 -1.91 114.58 116.95 3ikm h GLU 447 Ca -0.13 -0.24 0.08 0.00 -1.00 0.00 0.00 59.36 58.07 3ikm h GLU 447 Cb 1.75 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 30.88 3ikm h GLU 447 CO 0.20 0.82 0.36 0.00 -1.00 0.00 0.00 179.01 179.38 3ikm h ALA 448 N 1.20 0.95 -0.13 3.43 0.00 -1.27 -2.55 119.26 120.88 3ikm h ALA 448 Ca 0.10 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 3ikm h ALA 448 Cb 0.64 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3ikm h ALA 448 CO 0.04 -0.02 -0.54 1.96 0.00 0.00 0.00 179.25 180.70 3ikm h GLN 449 N 0.63 0.39 -0.32 0.00 4.20 -0.50 -3.28 115.11 116.23 3ikm h GLN 449 Ca 0.33 -0.24 0.01 0.00 0.06 0.00 0.00 58.65 58.81 3ikm h GLN 449 Cb 0.31 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 3ikm h GLN 449 CO -0.24 0.83 0.21 0.78 -0.67 0.00 0.00 178.83 179.74 3ikm h GLY 450 N 1.24 0.43 0.58 3.46 0.00 -0.93 -3.25 103.07 104.60 3ikm h GLY 450 Ca 0.01 -0.16 -0.09 0.00 0.00 0.00 0.00 47.33 47.09 3ikm h GLY 450 CO 0.09 0.15 -0.34 -0.84 0.00 0.00 0.00 176.54 175.61 3ikm h THR 451 N 0.41 1.49 -0.99 4.70 2.02 -1.61 -2.85 112.91 116.08 3ikm h THR 451 Ca 0.12 -1.91 0.22 0.00 0.77 0.00 0.00 66.41 65.61 3ikm h THR 451 Cb -0.01 2.62 -0.09 0.00 -1.74 0.00 0.00 68.15 68.92 3ikm h THR 451 CO -0.03 0.54 0.62 0.10 0.37 0.00 0.00 175.52 177.12 3ikm h TYR 452 N -0.34 0.84 0.00 3.16 -0.00 -1.69 0.62 116.97 119.55 3ikm h TYR 452 Ca -0.04 0.03 0.00 0.00 -0.00 0.00 0.00 58.73 58.72 3ikm h TYR 452 Cb 1.05 -0.25 0.00 0.00 -0.00 0.00 0.00 36.73 37.53 3ikm h TYR 452 CO 0.16 0.16 0.00 0.39 -0.00 0.00 0.00 178.16 178.87 3ikm n GLU 453 N -4.67 0.00 -0.09 0.10 1.02 -1.23 -1.56 120.64 114.21 3ikm n GLU 453 Ca 0.23 0.45 -0.02 0.00 -0.02 0.00 0.00 57.16 57.80 3ikm n GLU 453 Cb 0.69 -1.37 -0.02 0.00 -0.02 0.00 0.00 31.44 30.72 3ikm n GLU 453 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3ikm n GLU 454 N -1.86 -0.09 -0.03 3.49 1.02 -0.71 0.35 120.64 122.80 3ikm n GLU 454 Ca 0.00 0.57 -0.01 0.00 -0.02 0.00 0.00 57.16 57.70 3ikm n GLU 454 Cb 0.00 -0.85 -0.01 0.00 -0.02 0.00 0.00 31.44 30.57 3ikm n GLU 454 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3ikm n LEU 455 N -3.39 -0.09 0.22 -4.62 4.77 0.13 0.49 117.00 114.51 3ikm n LEU 455 Ca 0.00 1.03 -0.17 0.00 -0.03 0.00 0.00 56.01 56.84 3ikm n LEU 455 Cb 0.05 -0.46 -0.10 0.00 -2.33 0.00 0.00 43.42 40.59 3ikm n LEU 455 CO -0.03 -0.56 0.52 1.56 -1.33 0.00 0.00 177.39 177.55 3ikm h GLN 456 N 0.00 -0.86 -0.96 3.23 4.20 0.92 0.13 115.11 121.76 3ikm h GLN 456 Ca 0.01 0.06 0.39 0.00 0.06 0.00 0.00 58.65 59.17 3ikm h GLN 456 Cb 0.03 0.20 -0.15 0.00 0.30 0.00 0.00 27.48 27.86 3ikm h GLN 456 CO -0.08 -0.58 0.54 0.54 -0.67 0.00 0.00 178.83 178.59 3ikm n ARG 457 N -5.46 -0.05 -0.02 1.46 1.74 0.15 -0.59 116.66 113.89 3ikm n ARG 457 Ca -0.10 1.22 -0.08 0.00 -0.77 0.00 0.00 57.85 58.11 3ikm n ARG 457 Cb 0.44 -2.22 -0.07 0.00 -1.02 0.00 0.00 32.46 29.58 3ikm n ARG 457 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3ikm h GLU 458 N 0.00 -0.08 -0.86 5.56 5.08 0.21 -2.87 114.58 121.63 3ikm h GLU 458 Ca 0.77 0.01 0.21 0.00 -1.00 0.00 0.00 59.36 59.34 3ikm h GLU 458 Cb 2.12 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 31.33 3ikm h GLU 458 CO -0.64 0.41 0.58 1.98 -1.00 0.00 0.00 179.01 180.34 3ikm h MET 459 N -0.96 0.28 0.37 2.33 4.05 0.16 0.49 114.93 121.65 3ikm h MET 459 Ca -0.01 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.39 3ikm h MET 459 Cb 0.52 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.23 3ikm h MET 459 CO 0.01 0.19 -0.46 0.87 0.23 0.00 0.00 176.91 177.75 3ikm h LYS 460 N 0.29 -0.82 -0.36 0.39 6.56 -0.89 1.71 116.57 123.44 3ikm h LYS 460 Ca 0.43 0.06 0.06 0.00 -1.06 0.00 0.00 60.65 60.14 3ikm h LYS 460 Cb 1.24 0.19 -0.05 0.00 -0.57 0.00 0.00 32.23 33.03 3ikm h LYS 460 CO -0.12 -0.54 0.03 1.57 -2.06 0.00 0.00 179.45 178.32 3ikm h LYS 461 N -0.85 0.13 0.00 3.15 2.10 -0.75 3.01 116.57 123.36 3ikm h LYS 461 Ca -0.05 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 3ikm h LYS 461 Cb 0.76 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.06 3ikm h LYS 461 CO -0.10 0.09 0.00 -1.13 -2.00 0.00 0.00 179.45 176.31 3ikm n SER 462 N -5.15 0.00 0.00 7.07 3.41 -0.14 0.17 113.62 118.98 3ikm n SER 462 Ca 0.02 0.85 0.00 0.00 -0.26 0.00 0.00 58.87 59.47 3ikm n SER 462 Cb 0.18 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 3ikm n SER 462 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3ikm n LEU 463 N -2.10 0.00 -0.09 1.04 0.00 0.58 0.40 117.00 116.83 3ikm n LEU 463 Ca 0.00 0.20 -0.01 0.00 0.00 0.00 0.00 56.01 56.20 3ikm n LEU 463 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 3ikm n LEU 463 CO 0.00 0.00 0.12 0.23 0.00 0.00 0.00 177.39 177.74 3ikm n MET 464 N -0.47 -0.06 0.35 1.96 2.81 1.00 0.12 117.12 122.83 3ikm n MET 464 Ca 0.00 0.33 -0.15 0.00 -1.81 0.00 0.00 57.70 56.07 3ikm n MET 464 Cb 0.00 -0.49 -0.08 0.00 -0.71 0.00 0.00 33.22 31.94 3ikm n MET 464 CO 0.00 0.00 0.00 0.38 1.51 0.00 0.00 175.97 177.86 3ikm h ASP 465 N 0.00 -0.78 -0.89 7.83 3.04 0.50 -1.33 116.42 124.80 3ikm h ASP 465 Ca 0.07 0.00 0.22 0.00 -3.24 0.00 0.00 57.03 54.08 3ikm h ASP 465 Cb 0.12 0.20 -0.13 0.00 -1.04 0.00 0.00 39.33 38.48 3ikm h ASP 465 CO -0.21 -0.42 0.36 0.17 -2.04 0.00 0.00 179.24 177.10 3ikm h LEU 466 N -1.17 0.27 -0.73 0.15 -0.00 0.59 0.94 115.31 115.35 3ikm h LEU 466 Ca -0.09 0.16 -0.09 0.00 -0.00 0.00 0.00 57.88 57.86 3ikm h LEU 466 Cb 0.73 0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 41.53 3ikm h LEU 466 CO 0.15 -0.04 0.01 0.00 -0.00 0.00 0.00 178.44 178.57 3ikm h ALA 467 N 1.72 0.94 0.51 0.17 0.00 -1.25 -1.22 119.26 120.12 3ikm h ALA 467 Ca 0.56 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 3ikm h ALA 467 Cb 1.08 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3ikm h ALA 467 CO -0.55 0.64 -0.24 -0.91 0.00 0.00 0.00 179.25 178.18 3ikm h ASN 468 N 0.90 -0.58 0.00 0.00 4.21 0.19 -2.43 115.58 117.88 3ikm h ASN 468 Ca 0.17 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.70 3ikm h ASN 468 Cb 0.51 0.15 0.00 0.00 -1.12 0.00 0.00 38.32 37.86 3ikm h ASN 468 CO 0.03 -0.38 0.00 0.47 -1.29 0.00 0.00 177.43 176.26 3ikm n ASP 469 N -4.03 0.00 0.00 5.81 8.00 0.13 -2.96 116.55 123.50 3ikm n ASP 469 Ca -0.08 0.93 0.00 0.00 0.71 0.00 0.00 54.79 56.34 3ikm n ASP 469 Cb 0.27 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 3ikm n ASP 469 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ikm n ALA 470 N -2.79 0.00 -0.23 2.24 0.00 -0.47 -2.15 120.51 117.12 3ikm n ALA 470 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 3ikm n ALA 470 Cb 0.00 0.16 0.20 0.00 0.00 0.00 0.00 19.45 19.81 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 -0.13 -0.08 0.00 1.08 -1.32 -3.28 115.11 111.39 3ikm h GLN 472 Ca 0.40 0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.64 3ikm h GLN 472 Cb 0.84 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.30 3ikm h GLN 472 CO -0.62 0.38 0.65 -0.07 -0.95 0.00 0.00 178.83 178.22 3ikm h LEU 473 N -0.81 0.00 -7.15 1.46 -0.00 -1.07 -3.26 115.31 104.48 3ikm h LEU 473 Ca -0.01 0.00 -0.73 0.00 -0.00 0.00 0.00 57.88 57.14 3ikm h LEU 473 Cb 0.57 0.00 -0.13 0.00 -0.00 0.00 0.00 40.66 41.10 3ikm h LEU 473 CO 0.02 0.00 2.00 0.18 -0.00 0.00 0.00 178.44 180.64 3ikm n LEU 474 N -2.80 5.79 -4.65 1.67 4.32 -1.24 -4.96 117.00 115.13 3ikm n LEU 474 Ca 0.01 -4.34 -0.43 0.00 -0.02 0.00 0.00 56.01 51.22 3ikm n LEU 474 Cb 0.70 -1.62 -0.03 0.00 -1.62 0.00 0.00 43.42 40.85 3ikm n LEU 474 CO 0.09 0.83 1.62 -1.54 -1.22 0.00 0.00 177.39 177.18 3ikm n SER 475 N 5.84 3.91 -3.57 -1.43 3.41 -1.23 -3.81 113.62 116.73 3ikm n SER 475 Ca 0.43 0.82 -0.05 0.00 -0.26 0.00 0.00 58.87 59.80 3ikm n SER 475 Cb 0.41 -1.50 -0.02 0.00 -0.26 0.00 0.00 64.21 62.84 3ikm n SER 475 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3ikm s GLY 476 N 4.94 -0.37 0.00 5.00 0.00 -1.26 -3.73 107.32 111.90 3ikm s GLY 476 Ca 0.92 1.14 0.00 0.00 0.00 0.00 0.00 44.72 46.77 3ikm s GLY 476 CO 0.43 0.36 0.00 -2.21 0.00 0.00 0.00 173.10 171.68 3ikm n GLU 477 N -0.23 0.00 -4.05 2.90 4.07 -1.26 -4.73 120.64 117.35 3ikm n GLU 477 Ca -0.05 0.00 -0.14 0.00 -0.06 0.00 0.00 57.16 56.92 3ikm n GLU 477 Cb 0.60 0.00 -0.13 0.00 -0.06 0.00 0.00 31.44 31.85 3ikm n GLU 477 CO 0.00 0.00 0.00 -0.98 -0.06 0.00 0.00 177.13 176.09 3ikm s ARG 478 N 0.00 0.33 0.69 5.31 1.70 -1.26 -5.16 118.95 120.56 3ikm s ARG 478 Ca 0.00 -0.30 -0.15 0.00 -0.47 0.00 0.00 55.73 54.81 3ikm s ARG 478 Cb 0.00 -0.23 0.02 0.00 -0.57 0.00 0.00 34.95 34.17 3ikm s ARG 478 CO 0.00 0.05 1.14 1.52 -1.08 0.00 0.00 175.30 176.94 3ikm s TYR 479 N -0.50 2.40 0.00 5.89 -0.85 -1.26 -3.61 117.35 119.42 3ikm s TYR 479 Ca -0.03 1.58 0.00 0.00 -0.52 0.00 0.00 57.07 58.10 3ikm s TYR 479 Cb -0.04 -3.27 0.00 0.00 0.38 0.00 0.00 41.96 39.02 3ikm s TYR 479 CO -0.00 -2.03 0.00 0.36 -1.52 0.00 0.00 175.55 172.35 3ikm n LYS 480 N -2.59 0.00 -4.07 -3.49 2.85 -1.26 -5.02 118.16 104.58 3ikm n LYS 480 Ca 0.11 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.24 3ikm n LYS 480 Cb 0.51 -1.90 -0.04 0.00 -0.65 0.00 0.00 35.03 32.96 3ikm n LYS 480 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 3ikm s GLU 481 N -0.35 1.88 3.82 -1.58 8.01 -1.24 -4.84 118.70 124.41 3ikm s GLU 481 Ca 0.00 -1.70 0.00 0.00 0.01 0.00 0.00 54.97 53.28 3ikm s GLU 481 Cb 0.00 0.45 0.00 0.00 -4.31 0.00 0.00 34.13 30.27 3ikm s GLU 481 CO 0.00 -0.78 0.00 -0.40 0.01 0.00 0.00 175.26 174.09 3ikm n ASP 482 N -1.30 0.00 0.27 -0.19 5.75 -1.26 -2.22 116.55 117.60 3ikm n ASP 482 Ca 0.00 0.00 0.17 0.00 -0.01 0.00 0.00 54.79 54.95 3ikm n ASP 482 Cb 0.62 0.00 0.64 0.00 -1.03 0.00 0.00 41.12 41.35 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 -0.21 0.11 0.13 -1.93 -2.80 132.00 127.30 3ikm h PRO 483 Ca 0.00 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.16 3ikm h PRO 483 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 3ikm h PRO 483 CO 0.00 0.00 0.00 2.35 -0.23 0.00 0.00 178.00 180.12 3ikm h TRP 484 N 0.00 -0.00 -0.75 1.56 -0.00 -1.81 -1.39 115.95 113.56 3ikm h TRP 484 Ca 0.00 0.01 0.13 0.00 -0.00 0.00 0.00 58.89 59.03 3ikm h TRP 484 Cb 0.55 0.03 -0.13 0.00 -0.00 0.00 0.00 29.16 29.61 3ikm h TRP 484 CO 0.00 -0.02 -0.33 1.25 -0.00 0.00 0.00 178.44 179.34 3ikm h LEU 485 N 0.07 -1.18 0.68 0.65 5.85 -1.63 1.78 115.31 121.53 3ikm h LEU 485 Ca 0.10 0.26 -0.03 0.00 0.84 0.00 0.00 57.88 59.04 3ikm h LEU 485 Cb 0.12 0.62 0.00 0.00 0.37 0.00 0.00 40.66 41.77 3ikm h LEU 485 CO -0.16 -0.29 -0.39 -0.50 -0.34 0.00 0.00 178.44 176.76 3ikm h TRP 486 N -0.09 -1.02 -0.80 1.25 -0.00 -1.41 -1.92 115.95 111.97 3ikm h TRP 486 Ca 0.29 -0.01 0.07 0.00 -0.00 0.00 0.00 58.89 59.24 3ikm h TRP 486 Cb 0.57 0.36 -0.05 0.00 -0.00 0.00 0.00 29.16 30.04 3ikm h TRP 486 CO -0.71 -0.59 0.52 0.22 -0.00 0.00 0.00 178.44 177.88 3ikm h ASP 487 N -0.99 0.74 -0.57 -3.49 1.82 -0.44 -2.86 116.42 110.63 3ikm h ASP 487 Ca -0.09 0.01 -0.10 0.00 -0.39 0.00 0.00 57.03 56.45 3ikm h ASP 487 Cb 0.78 -0.15 -0.02 0.00 0.68 0.00 0.00 39.33 40.62 3ikm h ASP 487 CO 0.11 0.47 -0.04 -0.07 -1.61 0.00 0.00 179.24 178.10 3ikm h LEU 488 N 0.83 1.04 0.48 2.28 3.38 0.29 -2.60 115.31 121.01 3ikm h LEU 488 Ca 0.35 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3ikm h LEU 488 Cb 0.29 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3ikm h LEU 488 CO -0.13 1.11 -0.23 -0.33 0.09 0.00 0.00 178.44 178.95 3ikm h GLU 489 N 0.95 -0.62 -0.70 1.13 5.08 -1.11 -3.19 114.58 116.11 3ikm h GLU 489 Ca 0.16 0.04 0.15 0.00 -1.00 0.00 0.00 59.36 58.71 3ikm h GLU 489 Cb 0.60 0.14 -0.13 0.00 0.50 0.00 0.00 28.75 29.86 3ikm h GLU 489 CO 0.04 -0.41 -0.07 -1.49 -1.00 0.00 0.00 179.01 176.07 3ikm h TRP 490 N -0.81 -0.18 -3.09 4.33 6.55 -1.67 -3.27 115.95 117.81 3ikm h TRP 490 Ca -0.07 0.06 -0.69 0.00 0.95 0.00 0.00 58.89 59.14 3ikm h TRP 490 Cb 0.49 0.19 -0.18 0.00 -0.86 0.00 0.00 29.16 28.80 3ikm h TRP 490 CO 0.06 -0.25 0.11 -0.51 -1.05 0.00 0.00 178.44 176.80 3ikm s ASP 491 N -5.21 6.21 -0.02 -3.49 1.01 -0.98 -2.83 116.67 111.36 3ikm s ASP 491 Ca -0.14 -1.10 0.04 0.00 0.71 0.00 0.00 52.55 52.06 3ikm s ASP 491 Cb 0.21 -2.30 -0.01 0.00 1.01 0.00 0.00 42.92 41.83 3ikm s ASP 491 CO 0.75 -1.01 -0.12 -0.76 0.21 0.00 0.00 175.17 174.23 3ikm s LEU 492 N 2.76 1.96 -0.11 1.23 1.43 -1.24 -4.67 118.68 120.04 3ikm s LEU 492 Ca 0.14 -0.23 -0.33 0.00 -1.03 0.00 0.00 54.13 52.69 3ikm s LEU 492 Cb -0.21 -0.64 0.14 0.00 0.03 0.00 0.00 46.19 45.51 3ikm s LEU 492 CO 0.10 0.13 1.36 0.00 0.23 0.00 0.00 176.35 178.17 3ikm s GLN 493 N -0.15 0.17 -1.04 1.70 -2.07 -1.26 -4.87 119.66 112.15 3ikm s GLN 493 Ca 0.02 -0.09 -0.04 0.00 -1.82 0.00 0.00 55.36 53.43 3ikm s GLN 493 Cb -0.06 0.06 0.00 0.00 -1.09 0.00 0.00 33.01 31.93 3ikm s GLN 493 CO -0.00 -0.08 0.89 -0.85 -1.32 0.00 0.00 175.29 173.93 3ikm n GLU 494 N -0.37 -5.97 -4.27 9.60 0.28 -1.26 -5.02 120.64 113.62 3ikm n GLU 494 Ca -0.06 0.68 -0.28 0.00 -0.16 0.00 0.00 57.16 57.35 3ikm n GLU 494 Cb 0.62 -5.25 -0.10 0.00 1.43 0.00 0.00 31.44 28.14 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 -3.28 2.65 0.00 -1.84 0.40 -1.26 -4.92 117.98 109.73 3ikm s PHE 495 Ca 0.24 -0.21 0.00 0.00 -0.60 0.00 0.00 56.93 56.37 3ikm s PHE 495 Cb -0.11 -1.34 0.00 0.00 0.51 0.00 0.00 43.02 42.09 3ikm s PHE 495 CO 0.59 0.47 0.48 1.63 0.70 0.00 0.00 175.22 179.10 3ikm n LYS 496 N 0.33 0.00 -0.23 0.44 4.01 -1.26 -3.74 118.16 117.70 3ikm n LYS 496 Ca -0.12 -0.46 0.04 0.00 -0.51 0.00 0.00 58.31 57.26 3ikm n LYS 496 Cb 0.54 -0.38 0.15 0.00 -0.51 0.00 0.00 35.03 34.84 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 0.30 -2.55 1.97 5.75 -1.94 -2.63 115.11 116.01 3ikm h GLN 497 Ca 0.00 -0.02 0.14 0.00 -0.15 0.00 0.00 58.65 58.62 3ikm h GLN 497 Cb 1.06 -0.07 -0.05 0.00 1.07 0.00 0.00 27.48 29.50 3ikm h GLN 497 CO 0.00 0.20 0.49 0.15 -2.65 0.00 0.00 178.83 177.01 3ikm s LYS 498 N -6.06 1.43 0.00 1.69 -0.14 -1.26 -0.76 119.74 114.64 3ikm s LYS 498 Ca -0.13 -0.87 0.00 0.00 -1.36 0.00 0.00 55.97 53.61 3ikm s LYS 498 Cb 0.20 0.43 0.00 0.00 -1.68 0.00 0.00 37.83 36.78 3ikm s LYS 498 CO 0.75 -0.66 0.00 0.36 -0.76 0.00 0.00 175.35 175.04 3ikm n LYS 499 N -0.58 0.00 0.00 1.68 2.85 -1.26 -4.94 118.16 115.91 3ikm n LYS 499 Ca -0.05 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.21 3ikm n LYS 499 Cb 0.60 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.98 3ikm n LYS 499 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3ikm n ALA 500 N 0.00 0.00 -0.21 0.58 0.00 -1.26 -4.72 120.51 114.90 3ikm n ALA 500 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ikm n ALA 500 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3ikm n ALA 500 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3ikm n LYS 501 N 0.00 0.00 0.00 0.00 4.76 -1.26 -4.37 118.16 117.29 3ikm n LYS 501 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3ikm n LYS 501 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 3ikm n LYS 501 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 3ikm n LYS 502 N 8.75 0.00 0.00 1.97 2.85 -1.26 -4.78 118.16 125.69 3ikm n LYS 502 Ca 0.00 0.49 0.00 0.00 -1.05 0.00 0.00 58.31 57.75 3ikm n LYS 502 Cb 0.00 -0.73 0.00 0.00 -0.65 0.00 0.00 35.03 33.65 3ikm n LYS 502 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 3ikm n VAL 503 N -2.48 0.00 -0.65 0.58 3.14 -1.26 -3.38 118.33 114.27 3ikm n VAL 503 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3ikm n VAL 503 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 3ikm n VAL 503 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 3ikm n LYS 504 N 0.00 0.00 -3.68 1.45 3.00 -1.26 -4.75 118.16 112.91 3ikm n LYS 504 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.17 3ikm n LYS 504 Cb 0.00 -2.36 -0.09 0.00 0.00 0.00 0.00 35.03 32.59 3ikm n LYS 504 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3ikm s LYS 505 N -0.06 0.65 0.00 1.64 1.02 -1.22 -5.09 119.74 116.69 3ikm s LYS 505 Ca 0.00 0.70 0.00 0.00 0.02 0.00 0.00 55.97 56.69 3ikm s LYS 505 Cb 0.00 0.32 0.00 0.00 -0.52 0.00 0.00 37.83 37.63 3ikm s LYS 505 CO 0.00 -0.09 0.00 -1.91 -0.92 0.00 0.00 175.35 172.43 3ikm n GLU 506 N 2.65 0.00 -4.99 1.68 4.07 -1.26 -4.72 120.64 118.07 3ikm n GLU 506 Ca -0.14 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.67 3ikm n GLU 506 Cb 0.56 0.00 -0.17 0.00 -0.06 0.00 0.00 31.44 31.78 3ikm n GLU 506 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 3ikm s PRO 507 N -2.00 2.46 -0.05 5.31 0.04 -1.26 -4.98 135.00 134.51 3ikm s PRO 507 Ca 0.00 -0.71 -0.05 0.00 0.04 0.00 0.00 61.00 60.28 3ikm s PRO 507 Cb 0.00 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.61 3ikm s PRO 507 CO 0.00 0.16 0.08 0.00 0.04 0.00 0.00 177.00 177.28 3ikm n ALA 508 N 3.51 -1.41 -1.77 8.56 0.00 -1.26 -4.87 120.51 123.28 3ikm n ALA 508 Ca -0.20 0.04 -0.41 0.00 0.00 0.00 0.00 53.44 52.87 3ikm n ALA 508 Cb 0.53 -0.39 -0.00 0.00 0.00 0.00 0.00 19.45 19.59 3ikm n ALA 508 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3ikm n THR 509 N 0.54 2.01 -2.02 0.00 -2.24 -1.26 -4.94 114.28 106.37 3ikm n THR 509 Ca -0.01 -0.50 -0.40 0.00 -2.27 0.00 0.00 64.05 60.87 3ikm n THR 509 Cb 0.21 -1.96 0.04 0.00 -2.10 0.00 0.00 70.33 66.51 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 0.41 6.42 -2.03 6.98 0.00 -1.26 -4.76 120.51 126.27 3ikm n ALA 510 Ca 0.01 -4.18 -0.18 0.00 0.00 0.00 0.00 53.44 49.09 3ikm n ALA 510 Cb 0.39 -1.97 -0.04 0.00 0.00 0.00 0.00 19.45 17.83 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 -0.48 -5.31 -4.21 0.00 3.41 -1.26 -4.98 113.62 100.79 3ikm n SER 511 Ca 0.53 0.17 -0.41 0.00 -0.26 0.00 0.00 58.87 58.89 3ikm n SER 511 Cb 0.25 -4.40 -0.07 0.00 -0.26 0.00 0.00 64.21 59.73 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 -4.38 2.87 -0.43 4.33 2.20 -1.26 -4.69 119.74 118.37 3ikm s LYS 512 Ca 0.00 -2.23 0.07 0.00 -0.36 0.00 0.00 55.97 53.45 3ikm s LYS 512 Cb 0.00 -4.03 0.23 0.00 -1.51 0.00 0.00 37.83 32.52 3ikm s LYS 512 CO 0.00 -1.22 0.51 1.28 -0.36 0.00 0.00 175.35 175.55 3ikm n LEU 513 N 4.17 0.47 -4.20 5.43 4.77 -1.10 -4.95 117.00 121.59 3ikm n LEU 513 Ca 0.04 -4.72 -0.57 0.00 -0.03 0.00 0.00 56.01 50.73 3ikm n LEU 513 Cb 0.42 0.46 -0.08 0.00 -2.33 0.00 0.00 43.42 41.89 3ikm n LEU 513 CO 0.37 2.02 0.68 -0.81 -1.33 0.00 0.00 177.39 178.33 3ikm n PRO 514 N 1.64 0.00 0.00 3.23 -0.04 -1.26 -2.85 135.00 135.73 3ikm n PRO 514 Ca 0.24 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 3ikm n PRO 514 Cb 0.50 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 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 2.07 0.00 0.00 0.52 -0.00 -1.26 -4.76 119.36 115.93 3ikm n ILE 515 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.96 3ikm n ILE 515 Cb 0.03 -0.91 0.00 0.00 -0.00 0.00 0.00 39.64 38.77 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 0.00 0.00 -2.15 0.38 -0.58 -1.26 -4.60 120.64 112.43 3ikm n GLU 516 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3ikm n GLU 516 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3ikm n GLU 516 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ikm n GLY 517 N 0.00 -5.52 0.24 0.62 0.00 0.07 -4.97 105.19 95.62 3ikm n GLY 517 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 1.77 0.80 0.25 4.61 0.00 -1.24 -4.74 120.51 121.96 3ikm n ALA 518 Ca 0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 53.44 53.18 3ikm n ALA 518 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 3ikm n ALA 518 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3ikm h GLY 519 N 0.00 -0.71 0.75 0.00 0.00 -1.94 -3.37 103.07 97.79 3ikm h GLY 519 Ca 0.00 0.26 -0.10 0.00 0.00 0.00 0.00 47.33 47.49 3ikm h GLY 519 CO 0.00 -0.26 -0.35 0.00 0.00 0.00 0.00 176.54 175.93 3ikm h ALA 520 N -1.32 0.17 0.00 3.60 0.00 -1.92 -3.37 119.26 116.42 3ikm h ALA 520 Ca -0.07 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3ikm h ALA 520 Cb 0.52 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3ikm h ALA 520 CO 0.11 0.24 0.00 -2.30 0.00 0.00 0.00 179.25 177.31 3ikm n PRO 521 N -4.38 0.00 -2.57 0.00 -0.02 -1.26 -4.50 135.00 122.27 3ikm n PRO 521 Ca -0.08 0.01 -0.30 0.00 -2.02 0.00 0.00 63.50 61.12 3ikm n PRO 521 Cb 0.51 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.48 3ikm n PRO 521 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ikm n GLY 522 N -0.89 5.84 2.77 -1.23 0.00 -1.26 -4.58 105.19 105.84 3ikm n GLY 522 Ca 0.00 -2.73 -0.28 0.00 0.00 0.00 0.00 46.02 43.02 3ikm n GLY 522 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ikm n ASP 523 N -0.38 3.20 -4.75 1.61 8.00 -1.26 -5.04 116.55 117.91 3ikm n ASP 523 Ca 0.39 -3.27 -0.37 0.00 0.71 0.00 0.00 54.79 52.25 3ikm n ASP 523 Cb 0.49 -0.74 -0.07 0.00 -0.02 0.00 0.00 41.12 40.79 3ikm n ASP 523 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3ikm s PRO 524 N -1.73 4.17 0.24 -0.24 0.04 -1.26 -4.43 135.00 131.78 3ikm s PRO 524 Ca 0.29 0.23 0.03 0.00 0.04 0.00 0.00 61.00 61.59 3ikm s PRO 524 Cb 0.01 -3.38 -0.05 0.00 0.04 0.00 0.00 34.50 31.12 3ikm s PRO 524 CO -0.13 0.33 0.01 -1.64 0.04 0.00 0.00 177.00 175.62 3ikm s MET 525 N 0.13 1.35 0.90 4.56 -1.94 -1.26 -5.14 119.30 117.89 3ikm s MET 525 Ca 0.20 -1.69 -0.14 0.00 -1.71 0.00 0.00 55.69 52.35 3ikm s MET 525 Cb -0.14 -0.55 -0.02 0.00 2.01 0.00 0.00 34.83 36.13 3ikm s MET 525 CO 0.07 -0.13 0.19 -3.47 -0.01 0.00 0.00 175.02 171.67 3ikm n ASP 526 N -0.43 -2.68 0.00 3.03 4.64 -1.26 -5.01 116.55 114.85 3ikm n ASP 526 Ca -0.04 0.37 0.00 0.00 -1.38 0.00 0.00 54.79 53.74 3ikm n ASP 526 Cb 0.64 -1.12 0.00 0.00 -1.04 0.00 0.00 41.12 39.61 3ikm n ASP 526 CO 0.00 0.00 0.00 1.67 -0.82 0.00 0.00 177.20 178.05 3ikm n GLN 527 N -0.61 0.00 -3.79 -0.67 7.27 -1.26 -5.11 117.38 113.21 3ikm n GLN 527 Ca 0.06 0.00 -0.25 0.00 0.07 0.00 0.00 57.00 56.88 3ikm n GLN 527 Cb 0.53 0.00 0.01 0.00 2.41 0.00 0.00 30.24 33.19 3ikm n GLN 527 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 3ikm n GLU 528 N -1.39 -3.35 -3.65 3.69 4.07 -1.26 -5.04 120.64 113.71 3ikm n GLU 528 Ca 0.00 0.50 -0.05 0.00 -0.06 0.00 0.00 57.16 57.55 3ikm n GLU 528 Cb 0.00 -4.69 -0.07 0.00 -0.06 0.00 0.00 31.44 26.62 3ikm n GLU 528 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 3ikm s ASP 529 N -4.15 -0.65 -0.02 4.31 -0.00 -1.26 -5.01 116.67 109.90 3ikm s ASP 529 Ca 0.12 1.25 -0.09 0.00 -0.00 0.00 0.00 52.55 53.83 3ikm s ASP 529 Cb -0.04 1.76 0.03 0.00 -0.00 0.00 0.00 42.92 44.67 3ikm s ASP 529 CO 0.85 -0.23 0.40 -0.11 -0.00 0.00 0.00 175.17 176.09 3ikm n LEU 530 N 5.40 0.00 -4.15 1.23 7.94 -1.26 -5.19 117.00 120.97 3ikm n LEU 530 Ca -0.10 -0.06 -0.11 0.00 -1.11 0.00 0.00 56.01 54.63 3ikm n LEU 530 Cb 0.49 0.51 -0.10 0.00 0.53 0.00 0.00 43.42 44.85 3ikm n LEU 530 CO -0.02 -0.02 -0.39 -0.83 -1.11 0.00 0.00 177.39 175.03 3ikm s GLY 531 N -3.17 0.72 0.64 -3.96 0.00 -1.26 -5.16 107.32 95.14 3ikm s GLY 531 Ca 0.10 -1.28 -0.16 0.00 0.00 0.00 0.00 44.72 43.37 3ikm s GLY 531 CO -0.01 -1.38 1.14 -4.14 0.00 0.00 0.00 173.10 168.72 3ikm s PRO 532 N -3.60 2.83 0.00 2.90 0.02 -1.26 -5.00 135.00 130.89 3ikm s PRO 532 Ca 0.09 1.55 0.00 0.00 0.02 0.00 0.00 61.00 62.67 3ikm s PRO 532 Cb 0.04 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.62 3ikm s PRO 532 CO -0.04 -1.26 0.00 0.00 -0.33 0.00 0.00 177.00 175.37 3ikm n SER 534 N 0.00 0.00 -3.83 0.00 2.88 -1.26 -4.82 113.62 106.59 3ikm n SER 534 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 3ikm n SER 534 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 3ikm n SER 534 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 3ikm s GLU 535 N 0.00 1.47 0.03 -1.46 2.02 -1.26 -5.15 118.70 114.34 3ikm s GLU 535 Ca 0.00 -0.99 0.08 0.00 0.02 0.00 0.00 54.97 54.07 3ikm s GLU 535 Cb 0.00 0.52 -0.03 0.00 0.10 0.00 0.00 34.13 34.72 3ikm s GLU 535 CO 0.00 -0.63 -0.22 -1.83 0.02 0.00 0.00 175.26 172.60 3ikm s GLU 536 N -3.92 2.01 0.09 1.61 1.03 -1.26 -5.10 118.70 113.16 3ikm s GLU 536 Ca 0.13 -1.00 -0.21 0.00 0.03 0.00 0.00 54.97 53.92 3ikm s GLU 536 Cb -0.01 -2.10 -0.11 0.00 -0.80 0.00 0.00 34.13 31.10 3ikm s GLU 536 CO 0.02 0.54 1.69 0.93 -1.33 0.00 0.00 175.26 177.11 3ikm h GLU 537 N 4.85 0.16 -6.76 -4.83 5.08 -1.99 -3.47 114.58 107.61 3ikm h GLU 537 Ca -0.46 -0.02 -0.67 0.00 -1.00 0.00 0.00 59.36 57.21 3ikm h GLU 537 Cb 1.14 -0.03 -0.22 0.00 0.50 0.00 0.00 28.75 30.14 3ikm h GLU 537 CO 0.46 0.18 -0.86 -2.00 -1.00 0.00 0.00 179.01 175.79 3ikm s GLU 538 N -5.89 1.37 -0.11 2.33 2.12 -1.26 -5.10 118.70 112.16 3ikm s GLU 538 Ca -0.13 -1.30 -0.15 0.00 0.36 0.00 0.00 54.97 53.75 3ikm s GLU 538 Cb 0.07 -1.81 -0.05 0.00 0.26 0.00 0.00 34.13 32.60 3ikm s GLU 538 CO 0.68 0.43 0.35 -0.59 -0.54 0.00 0.00 175.26 175.59 3ikm s PHE 539 N -1.06 3.54 -3.58 5.30 -0.71 -1.26 -3.87 117.98 116.34 3ikm s PHE 539 Ca 0.12 0.75 0.00 0.00 -1.04 0.00 0.00 56.93 56.76 3ikm s PHE 539 Cb -0.10 -2.36 0.00 0.00 -1.21 0.00 0.00 43.02 39.35 3ikm s PHE 539 CO 0.05 0.34 0.00 1.04 -1.34 0.00 0.00 175.22 175.31 3ikm n GLN 540 N 3.14 0.00 0.02 1.99 1.13 -1.26 -4.78 117.38 117.62 3ikm n GLN 540 Ca -0.12 0.00 0.21 0.00 -1.94 0.00 0.00 57.00 55.16 3ikm n GLN 540 Cb 0.52 0.00 0.73 0.00 0.11 0.00 0.00 30.24 31.60 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 8.02 0.00 0.32 -1.09 3.07 -1.98 -1.56 115.11 121.89 3ikm h GLN 541 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.74 3ikm h GLN 541 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.53 3ikm h GLN 541 CO 0.00 0.00 -0.50 -0.44 0.09 0.00 0.00 178.83 177.98 3ikm h ASP 542 N 0.00 -1.43 -0.05 0.06 5.19 -1.88 3.20 116.42 121.49 3ikm h ASP 542 Ca 0.25 0.13 0.03 0.00 -0.62 0.00 0.00 57.03 56.82 3ikm h ASP 542 Cb 1.11 0.50 -0.04 0.00 0.18 0.00 0.00 39.33 41.08 3ikm h ASP 542 CO -0.00 -0.60 -0.18 1.62 -3.12 0.00 0.00 179.24 176.96 3ikm h VAL 543 N -0.87 0.56 -0.72 -1.35 3.04 -1.41 5.42 116.25 120.92 3ikm h VAL 543 Ca -0.04 0.00 0.08 0.00 -1.01 0.00 0.00 66.70 65.73 3ikm h VAL 543 Cb 0.80 0.56 -0.11 0.00 -2.01 0.00 0.00 31.29 30.52 3ikm h VAL 543 CO -0.16 0.00 -0.54 -0.03 -1.01 0.00 0.00 177.57 175.84 3ikm h MET 544 N -0.26 -0.17 0.41 4.17 -1.53 -0.86 0.65 114.93 117.34 3ikm h MET 544 Ca 0.07 0.01 -0.02 0.00 -3.44 0.00 0.00 59.70 56.32 3ikm h MET 544 Cb 0.37 0.04 0.00 0.00 -0.55 0.00 0.00 31.60 31.46 3ikm h MET 544 CO -0.21 -0.11 -0.20 0.00 0.14 0.00 0.00 176.91 176.53 3ikm h ALA 545 N 0.41 -0.55 -0.60 0.39 0.00 0.70 -0.92 119.26 118.68 3ikm h ALA 545 Ca 0.15 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 54.98 3ikm h ALA 545 Cb 0.52 0.21 -0.12 0.00 0.00 0.00 0.00 17.79 18.40 3ikm h ALA 545 CO -0.78 -0.60 -0.30 0.00 0.00 0.00 0.00 179.25 177.57 3ikm h ARG 546 N -0.98 -0.13 -0.05 0.00 3.08 1.15 0.58 114.38 118.03 3ikm h ARG 546 Ca -0.06 0.01 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 3ikm h ARG 546 Cb 0.55 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 3ikm h ARG 546 CO 0.09 -0.08 -0.33 0.00 -1.07 0.00 0.00 179.97 178.57 3ikm h ALA 547 N 1.13 1.35 0.00 0.04 0.00 0.22 -2.11 119.26 119.90 3ikm h ALA 547 Ca 0.25 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 3ikm h ALA 547 Cb 0.54 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3ikm h ALA 547 CO -0.68 0.47 -0.53 0.00 0.00 0.00 0.00 179.25 178.51 3ikm h LEU 549 N 0.00 -0.26 -1.25 0.00 3.38 0.61 0.42 115.31 118.21 3ikm h LEU 549 Ca -0.01 -0.09 0.08 0.00 0.09 0.00 0.00 57.88 57.95 3ikm h LEU 549 Cb 0.98 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.75 3ikm h LEU 549 CO 0.07 -0.07 0.54 1.56 0.09 0.00 0.00 178.44 180.63 3ikm h GLN 550 N -0.44 0.85 0.43 1.13 7.50 -1.53 2.02 115.11 125.06 3ikm h GLN 550 Ca -0.03 -0.05 -0.01 0.00 0.50 0.00 0.00 58.65 59.05 3ikm h GLN 550 Cb 0.34 -0.19 -0.02 0.00 0.05 0.00 0.00 27.48 27.66 3ikm h GLN 550 CO 0.05 0.56 -0.40 -0.22 -1.50 0.00 0.00 178.83 177.32 3ikm h LYS 551 N 0.88 -0.79 -0.55 1.46 3.64 -1.35 7.39 116.57 127.25 3ikm h LYS 551 Ca 0.37 0.05 0.11 0.00 -1.27 0.00 0.00 60.65 59.91 3ikm h LYS 551 Cb 0.29 0.18 -0.09 0.00 -0.41 0.00 0.00 32.23 32.20 3ikm h LYS 551 CO -0.14 -0.53 -0.04 -0.07 -2.27 0.00 0.00 179.45 176.41 3ikm h LEU 552 N -0.82 -0.32 0.51 5.20 3.38 0.12 0.97 115.31 124.35 3ikm h LEU 552 Ca -0.05 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3ikm h LEU 552 Cb 0.70 0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3ikm h LEU 552 CO -0.03 -0.12 -0.24 0.11 0.09 0.00 0.00 178.44 178.24 3ikm h LYS 553 N 0.08 -0.66 -0.84 1.13 1.57 0.39 -1.75 116.57 116.49 3ikm h LYS 553 Ca 0.28 0.04 0.16 0.00 -1.87 0.00 0.00 60.65 59.26 3ikm h LYS 553 Cb 0.43 0.15 -0.16 0.00 0.08 0.00 0.00 32.23 32.74 3ikm h LYS 553 CO -0.49 -0.39 -0.25 0.78 -0.57 0.00 0.00 179.45 178.52 3ikm h GLY 554 N -1.13 0.46 1.58 3.86 0.00 1.59 0.42 103.07 109.85 3ikm h GLY 554 Ca -0.07 0.33 -0.07 0.00 0.00 0.00 0.00 47.33 47.52 3ikm h GLY 554 CO 0.11 -0.29 -0.09 -0.84 0.00 0.00 0.00 176.54 175.43 3ikm h THR 555 N -0.02 1.22 -0.44 4.70 2.02 -0.87 -1.03 112.91 118.49 3ikm h THR 555 Ca 0.38 -0.96 0.13 0.00 0.77 0.00 0.00 66.41 66.73 3ikm h THR 555 Cb 0.61 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 3ikm h THR 555 CO -0.87 0.32 0.52 0.74 0.37 0.00 0.00 175.52 176.60 3ikm h THR 556 N 0.47 0.30 0.00 3.16 2.02 0.78 0.88 112.91 120.53 3ikm h THR 556 Ca 0.09 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.27 3ikm h THR 556 Cb 0.45 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 3ikm h THR 556 CO 0.02 0.00 -0.00 -0.33 0.37 0.00 0.00 175.52 175.58 3ikm h GLU 557 N 0.00 -0.00 -0.25 6.66 4.39 -0.87 -2.59 114.58 121.92 3ikm h GLU 557 Ca 0.21 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.98 3ikm h GLU 557 Cb 1.25 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.89 3ikm h GLU 557 CO -0.00 0.91 0.35 1.25 -1.16 0.00 0.00 179.01 180.35 3ikm h LEU 558 N -0.93 0.00 0.00 1.33 6.46 -0.26 -3.36 115.31 118.55 3ikm h LEU 558 Ca -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 3ikm h LEU 558 Cb 0.91 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.84 3ikm h LEU 558 CO 0.00 0.00 0.00 -0.11 -0.62 0.00 0.00 178.44 177.71 3ikm n LEU 559 N -3.52 0.00 -3.34 2.25 7.94 0.26 -4.95 117.00 115.63 3ikm n LEU 559 Ca 0.04 0.00 -0.35 0.00 -1.11 0.00 0.00 56.01 54.58 3ikm n LEU 559 Cb 0.48 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.42 3ikm n LEU 559 CO 0.24 0.00 -0.12 -2.65 -1.11 0.00 0.00 177.39 173.75 3ikm n PRO 560 N 0.00 0.00 0.00 1.96 -0.02 -1.19 -4.83 135.00 130.92 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 -0.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.71 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 0.85 0.00 -4.12 -0.52 4.01 -1.26 -4.83 118.16 112.30 3ikm n LYS 561 Ca 0.12 0.00 -0.30 0.00 -0.51 0.00 0.00 58.31 57.62 3ikm n LYS 561 Cb 0.23 0.00 -0.08 0.00 -0.51 0.00 0.00 35.03 34.67 3ikm n LYS 561 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 3ikm s ARG 562 N 0.00 2.64 0.45 1.97 3.52 -1.26 -5.08 118.95 121.19 3ikm s ARG 562 Ca 0.00 -0.79 0.25 0.00 -0.13 0.00 0.00 55.73 55.06 3ikm s ARG 562 Cb 0.00 -2.59 0.76 0.00 -1.56 0.00 0.00 34.95 31.56 3ikm s ARG 562 CO 0.00 0.55 1.76 -1.35 -0.81 0.00 0.00 175.30 175.45 3ikm h PRO 563 N 3.46 0.00 -0.01 5.12 0.11 -1.91 -3.36 132.00 135.41 3ikm h PRO 563 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3ikm h PRO 563 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3ikm h PRO 563 CO 0.61 0.12 -0.16 1.04 -0.21 0.00 0.00 178.00 179.40 3ikm n GLN 564 N -3.19 1.33 -0.05 1.05 1.13 -1.26 -3.39 117.38 113.01 3ikm n GLN 564 Ca 0.02 -0.87 -0.12 0.00 -1.94 0.00 0.00 57.00 54.09 3ikm n GLN 564 Cb 0.46 -1.48 -0.06 0.00 0.11 0.00 0.00 30.24 29.28 3ikm n GLN 564 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3ikm h HIS 565 N 2.12 0.30 -0.21 1.08 3.86 -1.88 -2.85 115.15 117.57 3ikm h HIS 565 Ca 0.00 -0.05 0.02 0.00 -1.16 0.00 0.00 60.37 59.19 3ikm h HIS 565 Cb 0.58 -0.08 -0.04 0.00 1.06 0.00 0.00 27.41 28.93 3ikm h HIS 565 CO 0.00 0.46 -0.23 1.25 0.86 0.00 0.00 177.93 180.27 3ikm h LEU 566 N 0.05 -0.80 -9.40 2.43 6.46 -1.79 -3.37 115.31 108.89 3ikm h LEU 566 Ca 0.05 0.11 -0.63 0.00 -0.12 0.00 0.00 57.88 57.28 3ikm h LEU 566 Cb 0.33 0.33 0.07 0.00 -0.73 0.00 0.00 40.66 40.66 3ikm h LEU 566 CO 0.00 -0.16 0.45 -2.65 -0.62 0.00 0.00 178.44 175.47 3ikm n PRO 567 N -3.84 1.48 -2.34 5.25 -0.02 -1.08 -2.68 135.00 131.78 3ikm n PRO 567 Ca -0.01 0.53 -0.01 0.00 -2.02 0.00 0.00 63.50 61.99 3ikm n PRO 567 Cb 0.14 -2.13 -0.01 0.00 -0.02 0.00 0.00 33.50 31.48 3ikm n PRO 567 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ikm n GLY 568 N 2.32 -4.09 3.82 -1.23 0.00 -1.25 -4.75 105.19 100.01 3ikm n GLY 568 Ca 0.15 0.50 -0.38 0.00 0.00 0.00 0.00 46.02 46.29 3ikm n GLY 568 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3ikm s HIS 569 N -0.99 3.74 0.00 1.61 2.46 -1.09 -4.15 115.29 116.88 3ikm s HIS 569 Ca -0.05 1.21 0.00 0.00 0.47 0.00 0.00 55.06 56.69 3ikm s HIS 569 Cb 0.00 -2.46 0.00 0.00 -0.13 0.00 0.00 32.58 30.00 3ikm s HIS 569 CO 0.56 0.54 0.57 -0.35 -2.47 0.00 0.00 174.74 173.59 3ikm n PRO 570 N 1.44 0.00 0.00 2.88 -0.04 -1.26 -2.72 135.00 135.30 3ikm n PRO 570 Ca -0.09 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 3ikm n PRO 570 Cb 0.51 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.90 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 -0.96 0.72 3.75 0.55 0.00 -1.26 -4.50 105.19 103.49 3ikm n GLY 571 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 -1.84 0.00 1.61 5.03 -1.26 -4.78 117.44 114.20 3ikm n TRP 572 Ca 0.00 0.52 0.00 0.00 3.03 0.00 0.00 57.50 61.05 3ikm n TRP 572 Cb 0.00 -3.54 0.00 0.00 -1.03 0.00 0.00 31.31 26.74 3ikm n TRP 572 CO 0.00 0.00 0.00 0.66 -0.03 0.00 0.00 177.69 178.32 3ikm n TYR 573 N -4.26 0.00 -3.58 -5.99 0.53 -1.25 -4.11 117.16 98.50 3ikm n TYR 573 Ca -0.15 0.00 -0.02 0.00 -1.02 0.00 0.00 57.90 56.71 3ikm n TYR 573 Cb 0.61 0.00 -0.00 0.00 -1.03 0.00 0.00 39.34 38.92 3ikm n TYR 573 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 3ikm n ARG 574 N 0.00 0.11 0.00 -0.72 1.74 -1.26 -5.00 116.66 111.52 3ikm n ARG 574 Ca 0.00 -0.39 0.00 0.00 -0.77 0.00 0.00 57.85 56.69 3ikm n ARG 574 Cb 0.00 0.38 0.00 0.00 -1.02 0.00 0.00 32.46 31.82 3ikm n ARG 574 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3ikm n LYS 575 N -0.08 0.00 0.00 5.56 3.00 -1.26 -4.45 118.16 120.93 3ikm n LYS 575 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3ikm n LYS 575 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.11 3ikm n LYS 575 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 3ikm n LEU 576 N 0.00 0.00 0.00 3.14 -0.00 -1.26 -5.09 117.00 113.79 3ikm n LEU 576 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3ikm n LEU 576 Cb 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 43.42 43.44 3ikm n LEU 576 CO 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 177.39 177.37 3ikm s PRO 578 N 2.98 3.72 0.01 0.00 0.02 -1.26 -4.91 135.00 135.55 3ikm s PRO 578 Ca 0.00 -1.42 -0.05 0.00 0.02 0.00 0.00 61.00 59.55 3ikm s PRO 578 Cb 0.00 -5.40 -0.01 0.00 0.02 0.00 0.00 34.50 29.12 3ikm s PRO 578 CO 0.00 -2.21 0.08 0.50 -0.33 0.00 0.00 177.00 175.04 3ikm s ARG 579 N 4.64 0.44 -0.09 5.54 6.06 -1.26 -4.42 118.95 129.86 3ikm s ARG 579 Ca 0.48 -0.51 0.03 0.00 -2.50 0.00 0.00 55.73 53.23 3ikm s ARG 579 Cb 0.01 0.17 -0.02 0.00 0.06 0.00 0.00 34.95 35.18 3ikm s ARG 579 CO -0.05 -0.10 -0.18 -1.17 -2.50 0.00 0.00 175.30 171.31 3ikm s LEU 580 N -1.48 2.50 -0.86 -0.88 2.96 -1.13 -4.08 118.68 115.70 3ikm s LEU 580 Ca -0.14 -0.36 -0.14 0.00 -0.22 0.00 0.00 54.13 53.27 3ikm s LEU 580 Cb -0.08 -1.51 0.22 0.00 0.50 0.00 0.00 46.19 45.31 3ikm s LEU 580 CO 0.00 0.24 0.83 1.51 -1.32 0.00 0.00 176.35 177.61 3ikm s ASP 581 N -0.09 6.81 0.04 3.68 1.47 -1.26 -4.70 116.67 122.62 3ikm s ASP 581 Ca -0.03 -2.73 0.09 0.00 1.18 0.00 0.00 52.55 51.06 3ikm s ASP 581 Cb -0.14 -2.23 -0.22 0.00 -0.34 0.00 0.00 42.92 39.99 3ikm s ASP 581 CO 0.04 -0.58 0.98 -0.78 0.68 0.00 0.00 175.17 175.51 3ikm h ASP 582 N 7.75 0.02 0.00 2.11 1.82 -1.99 -3.47 116.42 122.67 3ikm h ASP 582 Ca 0.12 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.73 3ikm h ASP 582 Cb 1.02 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 41.03 3ikm h ASP 582 CO 0.80 1.02 0.00 -2.65 -1.61 0.00 0.00 179.24 176.80 3ikm n PRO 583 N -3.22 0.00 0.00 0.28 -0.02 -1.26 -4.43 135.00 126.35 3ikm n PRO 583 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 3ikm n PRO 583 Cb 0.99 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.47 3ikm n PRO 583 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ikm n ALA 584 N 1.58 0.00 -2.61 3.55 0.00 -1.26 -4.77 120.51 117.00 3ikm n ALA 584 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 3ikm n ALA 584 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 3ikm n ALA 584 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3ikm s TRP 585 N 0.00 3.25 0.05 0.00 0.23 -1.26 -4.99 118.94 116.22 3ikm s TRP 585 Ca 0.00 0.52 -0.11 0.00 -2.03 0.00 0.00 56.10 54.47 3ikm s TRP 585 Cb 0.00 -2.70 -0.32 0.00 0.03 0.00 0.00 33.47 30.48 3ikm s TRP 585 CO 0.00 -0.29 1.07 1.15 0.96 0.00 0.00 176.95 179.83 3ikm h THR 586 N 5.42 1.36 -0.01 2.01 2.02 -2.01 -3.48 112.91 118.23 3ikm h THR 586 Ca -0.30 -2.81 -0.13 0.00 0.77 0.00 0.00 66.41 63.95 3ikm h THR 586 Cb 1.15 2.97 -0.01 0.00 -1.74 0.00 0.00 68.15 70.52 3ikm h THR 586 CO 0.70 0.83 0.22 -2.65 0.37 0.00 0.00 175.52 174.99 3ikm n PRO 587 N -3.66 0.00 -0.63 6.66 -0.02 -1.26 -4.74 135.00 131.35 3ikm n PRO 587 Ca -0.13 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.11 3ikm n PRO 587 Cb 1.06 -0.26 0.02 0.00 -0.02 0.00 0.00 33.50 34.31 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 1.25 -2.30 2.67 -1.23 0.00 -1.26 -4.22 105.19 100.11 3ikm n GLY 588 Ca 0.09 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 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 1.57 -1.13 -4.39 1.61 -0.01 -1.26 -5.01 135.00 126.38 3ikm n PRO 589 Ca -0.01 0.79 -0.19 0.00 -0.01 0.00 0.00 63.50 64.07 3ikm n PRO 589 Cb 0.43 -1.23 -0.15 0.00 -0.01 0.00 0.00 33.50 32.54 3ikm n PRO 589 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 175.50 173.95 3ikm s SER 590 N -1.20 1.15 -0.40 2.55 1.04 -1.26 -4.99 113.70 110.59 3ikm s SER 590 Ca 0.19 -0.20 0.04 0.00 0.48 0.00 0.00 55.95 56.46 3ikm s SER 590 Cb -0.02 -0.12 0.16 0.00 0.10 0.00 0.00 66.02 66.14 3ikm s SER 590 CO 0.54 0.10 0.39 -1.48 0.98 0.00 0.00 173.24 173.77 3ikm s LEU 591 N -0.32 0.39 0.00 2.42 2.34 -1.26 -5.04 118.68 117.21 3ikm s LEU 591 Ca 0.03 -2.22 0.22 0.00 0.06 0.00 0.00 54.13 52.22 3ikm s LEU 591 Cb -0.04 0.28 1.27 0.00 -0.56 0.00 0.00 46.19 47.14 3ikm s LEU 591 CO -0.00 -0.20 1.66 0.18 -1.06 0.00 0.00 176.35 176.93 3ikm n LEU 592 N 3.52 0.00 0.00 1.48 4.32 -1.26 -3.50 117.00 121.56 3ikm n LEU 592 Ca 0.19 0.02 0.13 0.00 -0.02 0.00 0.00 56.01 56.33 3ikm n LEU 592 Cb 0.47 -0.02 0.59 0.00 -1.62 0.00 0.00 43.42 42.84 3ikm n LEU 592 CO 0.08 -0.00 0.93 -1.54 -1.22 0.00 0.00 177.39 175.63 3ikm n SER 593 N -1.02 0.00 -0.07 -1.43 3.41 -1.26 -2.12 113.62 111.14 3ikm n SER 593 Ca 0.16 0.38 -0.14 0.00 -0.26 0.00 0.00 58.87 59.01 3ikm n SER 593 Cb 0.08 -0.46 -0.14 0.00 -0.26 0.00 0.00 64.21 63.43 3ikm n SER 593 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ikm n LEU 594 N -1.46 1.50 0.06 1.04 4.77 -1.23 -3.70 117.00 117.99 3ikm n LEU 594 Ca 0.08 0.11 -0.01 0.00 -0.03 0.00 0.00 56.01 56.16 3ikm n LEU 594 Cb 0.29 -0.27 0.27 0.00 -2.33 0.00 0.00 43.42 41.38 3ikm n LEU 594 CO 0.24 0.65 0.78 1.56 -1.33 0.00 0.00 177.39 179.29 3ikm h GLN 595 N 0.02 0.36 -5.28 3.23 1.08 -1.76 -3.39 115.11 109.38 3ikm h GLN 595 Ca -0.47 -0.12 -0.36 0.00 -1.45 0.00 0.00 58.65 56.25 3ikm h GLN 595 Cb 2.06 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 29.42 3ikm h GLN 595 CO 0.03 0.57 1.41 -1.33 -0.95 0.00 0.00 178.83 178.56 3ikm n MET 596 N -4.16 0.47 -1.55 1.46 2.81 -0.90 -4.79 117.12 110.46 3ikm n MET 596 Ca -0.00 -0.18 -0.38 0.00 -1.81 0.00 0.00 57.70 55.33 3ikm n MET 596 Cb 0.37 -2.53 0.04 0.00 -0.71 0.00 0.00 33.22 30.40 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 8.23 0.74 0.00 0.03 1.74 -1.26 -2.67 116.66 123.47 3ikm n ARG 597 Ca 0.53 0.29 0.00 0.00 -0.77 0.00 0.00 57.85 57.89 3ikm n ARG 597 Cb 0.31 -1.95 0.00 0.00 -1.02 0.00 0.00 32.46 29.79 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 -1.64 0.00 -0.35 1.55 0.31 -1.26 -4.94 118.33 111.99 3ikm n VAL 598 Ca 0.13 0.00 0.24 0.00 -0.01 0.00 0.00 64.34 64.70 3ikm n VAL 598 Cb 0.47 0.00 0.50 0.00 -0.91 0.00 0.00 33.84 33.90 3ikm n VAL 598 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3ikm h THR 599 N 0.00 0.39 -0.35 2.52 2.02 -1.77 -0.95 112.91 114.77 3ikm h THR 599 Ca 0.00 -0.12 -0.08 0.00 0.77 0.00 0.00 66.41 66.97 3ikm h THR 599 Cb 0.00 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.40 3ikm h THR 599 CO 0.00 0.07 -0.14 -0.65 0.37 0.00 0.00 175.52 175.17 3ikm h PRO 600 N 0.36 0.62 -0.70 6.66 0.11 -1.86 -1.79 132.00 135.40 3ikm h PRO 600 Ca 0.68 -0.20 -0.08 0.00 0.11 0.00 0.00 66.00 66.52 3ikm h PRO 600 Cb 1.68 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.71 3ikm h PRO 600 CO -0.44 0.74 0.14 0.87 -0.21 0.00 0.00 178.00 179.10 3ikm h LYS 601 N 0.56 1.14 -7.57 1.05 1.57 -1.52 -3.10 116.57 108.70 3ikm h LYS 601 Ca 0.10 -0.29 -0.44 0.00 -1.87 0.00 0.00 60.65 58.15 3ikm h LYS 601 Cb 0.56 -0.14 0.16 0.00 0.08 0.00 0.00 32.23 32.90 3ikm h LYS 601 CO 0.04 1.02 0.28 -0.51 -0.57 0.00 0.00 179.45 179.71 3ikm s LEU 602 N -9.50 1.76 -1.35 2.94 1.43 -0.69 -2.87 118.68 110.40 3ikm s LEU 602 Ca -0.12 0.60 -0.08 0.00 -1.03 0.00 0.00 54.13 53.51 3ikm s LEU 602 Cb 0.15 -2.61 0.00 0.00 0.03 0.00 0.00 46.19 43.76 3ikm s LEU 602 CO 0.85 -3.20 0.46 0.23 0.23 0.00 0.00 176.35 174.93 3ikm n MET 603 N -4.14 -2.26 -1.58 1.70 2.81 -1.08 -4.55 117.12 108.01 3ikm n MET 603 Ca 0.12 0.34 -0.64 0.00 -1.81 0.00 0.00 57.70 55.71 3ikm n MET 603 Cb 0.59 -4.12 -0.10 0.00 -0.71 0.00 0.00 33.22 28.88 3ikm n MET 603 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3ikm n ALA 604 N -4.45 -0.69 0.03 3.04 0.00 -1.14 -4.66 120.51 112.64 3ikm n ALA 604 Ca -0.25 0.38 0.01 0.00 0.00 0.00 0.00 53.44 53.57 3ikm n ALA 604 Cb 0.66 -2.02 0.01 0.00 0.00 0.00 0.00 19.45 18.10 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 5.40 1.52 -4.81 0.00 4.77 -0.92 -2.46 117.00 120.50 3ikm n LEU 605 Ca 0.39 -1.39 -0.36 0.00 -0.03 0.00 0.00 56.01 54.61 3ikm n LEU 605 Cb -0.03 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 40.99 3ikm n LEU 605 CO 0.88 0.37 0.50 0.42 -1.33 0.00 0.00 177.39 178.23 3ikm s THR 606 N -0.47 4.45 0.00 -5.08 -4.23 0.98 -3.08 115.64 108.21 3ikm s THR 606 Ca 0.02 1.45 0.00 0.00 -1.18 0.00 0.00 61.69 61.98 3ikm s THR 606 Cb 0.01 -3.89 0.00 0.00 1.34 0.00 0.00 72.50 69.96 3ikm s THR 606 CO 0.02 0.16 0.00 0.79 -0.54 0.00 0.00 174.62 175.05 3ikm n TRP 607 N 0.61 0.00 -3.46 3.99 7.02 -0.10 -4.55 117.44 120.95 3ikm n TRP 607 Ca -0.01 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.05 3ikm n TRP 607 Cb 0.51 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.36 3ikm n TRP 607 CO 0.00 0.00 0.00 0.16 -2.02 0.00 0.00 177.69 175.83 3ikm s ASP 608 N 0.00 6.45 0.00 -0.99 -4.77 -1.26 -2.49 116.67 113.60 3ikm s ASP 608 Ca 0.00 -3.06 0.00 0.00 -3.30 0.00 0.00 52.55 46.19 3ikm s ASP 608 Cb 0.00 -2.09 0.00 0.00 -1.09 0.00 0.00 42.92 39.74 3ikm s ASP 608 CO 0.00 -0.42 0.00 0.61 0.70 0.00 0.00 175.17 176.06 3ikm n GLY 609 N 3.37 1.62 5.47 2.12 0.00 -1.26 -4.89 105.19 111.62 3ikm n GLY 609 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.09 0.00 -3.29 1.61 0.99 -1.04 -4.95 117.46 110.70 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 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.48 3ikm n PHE 610 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 3ikm n PRO 611 N 0.00 0.00 0.00 -1.08 -0.04 -1.26 -0.93 135.00 131.69 3ikm n PRO 611 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3ikm n PRO 611 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3ikm n PRO 611 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3ikm n LEU 612 N 0.00 0.00 0.00 1.53 7.94 -1.24 -4.54 117.00 120.69 3ikm n LEU 612 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3ikm n LEU 612 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3ikm n LEU 612 CO 0.00 0.00 0.00 1.41 -1.11 0.00 0.00 177.39 177.69 3ikm n HIS 613 N 0.00 0.00 0.00 1.96 8.25 -1.26 -4.55 115.22 119.62 3ikm n HIS 613 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3ikm n HIS 613 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3ikm n HIS 613 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3ikm n TYR 614 N -0.43 0.00 -4.23 4.41 0.53 -1.26 0.33 117.16 116.50 3ikm n TYR 614 Ca 0.00 0.00 -0.15 0.00 -1.02 0.00 0.00 57.90 56.73 3ikm n TYR 614 Cb 0.00 0.00 -0.10 0.00 -1.03 0.00 0.00 39.34 38.21 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 -2.86 1.78 -1.18 7.72 0.01 -0.74 -4.67 113.70 113.75 3ikm s SER 615 Ca 0.00 -0.93 -0.23 0.00 1.31 0.00 0.00 55.95 56.10 3ikm s SER 615 Cb 0.00 -0.02 -0.09 0.00 0.21 0.00 0.00 66.02 66.12 3ikm s SER 615 CO 0.00 -0.28 1.94 -1.83 0.41 0.00 0.00 173.24 173.48 3ikm s GLU 616 N -3.33 2.47 0.00 12.44 -1.05 -1.26 -3.90 118.70 124.08 3ikm s GLU 616 Ca 0.13 -1.15 0.00 0.00 -0.15 0.00 0.00 54.97 53.80 3ikm s GLU 616 Cb -0.00 -5.24 0.00 0.00 -0.44 0.00 0.00 34.13 28.45 3ikm s GLU 616 CO 0.01 -4.00 0.00 0.54 0.95 0.00 0.00 175.26 172.76 3ikm n ARG 617 N 8.29 0.00 0.00 -4.83 1.74 -1.26 -3.00 116.66 117.60 3ikm n ARG 617 Ca 0.45 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 3ikm n ARG 617 Cb 0.47 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.91 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 -1.89 0.00 -4.12 -1.55 -0.00 -1.25 -0.92 115.22 105.49 3ikm n HIS 618 Ca 0.00 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.08 3ikm n HIS 618 Cb 0.00 0.06 -0.04 0.00 -0.12 0.00 0.00 29.99 29.89 3ikm n HIS 618 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3ikm n GLY 619 N 2.32 3.31 2.82 1.57 0.00 -1.26 -2.87 105.19 111.08 3ikm n GLY 619 Ca 0.00 -1.75 -0.17 0.00 0.00 0.00 0.00 46.02 44.09 3ikm n GLY 619 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3ikm s TRP 620 N -2.88 0.33 1.08 1.61 1.48 -0.31 -1.80 118.94 118.46 3ikm s TRP 620 Ca 0.21 -0.01 -0.21 0.00 -1.06 0.00 0.00 56.10 55.03 3ikm s TRP 620 Cb 0.01 -0.43 0.01 0.00 -1.16 0.00 0.00 33.47 31.90 3ikm s TRP 620 CO 0.15 -0.14 -0.47 0.41 -4.06 0.00 0.00 176.95 172.84 3ikm n GLY 621 N 4.16 -2.67 1.79 3.67 0.00 -1.26 -1.88 105.19 108.99 3ikm n GLY 621 Ca -0.26 -0.58 -0.06 0.00 0.00 0.00 0.00 46.02 45.11 3ikm n GLY 621 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ikm n TYR 622 N -4.12 -1.23 -2.82 1.61 4.02 0.95 -3.71 117.16 111.86 3ikm n TYR 622 Ca -0.00 -1.11 -0.38 0.00 -0.01 0.00 0.00 57.90 56.40 3ikm n TYR 622 Cb 0.66 0.35 -0.00 0.00 -0.02 0.00 0.00 39.34 40.33 3ikm n TYR 622 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 176.86 177.32 3ikm n LEU 623 N 0.00 6.37 -4.30 7.72 -0.00 -1.26 -2.96 117.00 122.57 3ikm n LEU 623 Ca -0.01 -5.42 -0.44 0.00 -0.00 0.00 0.00 56.01 50.13 3ikm n LEU 623 Cb 0.30 -1.03 -0.02 0.00 -0.00 0.00 0.00 43.42 42.67 3ikm n LEU 623 CO 0.15 2.04 0.62 0.68 -0.00 0.00 0.00 177.39 180.88 3ikm s VAL 624 N -3.94 5.64 0.00 1.47 -7.23 -0.15 -4.82 120.40 111.37 3ikm s VAL 624 Ca 0.39 -3.22 0.00 0.00 -1.81 0.00 0.00 61.98 57.35 3ikm s VAL 624 Cb 0.18 -4.43 0.00 0.00 0.56 0.00 0.00 36.38 32.69 3ikm s VAL 624 CO -0.08 -1.12 0.51 -0.81 -0.31 0.00 0.00 175.10 173.29 3ikm n PRO 625 N 3.01 0.00 0.00 4.82 -0.04 0.01 -4.03 135.00 138.77 3ikm n PRO 625 Ca 0.20 -0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 3ikm n PRO 625 Cb 0.41 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 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 2.99 0.00 3.18 0.55 0.00 -1.21 -4.74 105.19 105.96 3ikm n GLY 626 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 -3.47 0.00 1.61 3.00 -1.26 -4.83 116.66 111.71 3ikm n ARG 627 Ca 0.00 0.81 0.00 0.00 -0.00 0.00 0.00 57.85 58.66 3ikm n ARG 627 Cb 0.00 -5.60 0.00 0.00 0.00 0.00 0.00 32.46 26.86 3ikm n ARG 627 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 3ikm n ARG 628 N -3.39 0.00 0.00 -0.14 0.63 -1.26 -4.97 116.66 107.53 3ikm n ARG 628 Ca -0.13 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.80 3ikm n ARG 628 Cb 0.63 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.54 3ikm n ARG 628 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3ikm n ASP 629 N 0.00 0.00 -4.38 6.15 10.43 -1.26 -4.82 116.55 122.67 3ikm n ASP 629 Ca 0.00 0.00 -0.35 0.00 2.57 0.00 0.00 54.79 57.01 3ikm n ASP 629 Cb 0.00 0.00 -0.13 0.00 1.84 0.00 0.00 41.12 42.83 3ikm n ASP 629 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 3ikm s ASN 630 N 0.00 4.66 -0.43 -2.24 3.04 -0.44 -2.79 114.94 116.75 3ikm s ASN 630 Ca 0.00 -0.30 0.10 0.00 0.04 0.00 0.00 52.86 52.71 3ikm s ASN 630 Cb 0.00 -1.81 0.37 0.00 -1.54 0.00 0.00 41.25 38.26 3ikm s ASN 630 CO 0.00 -0.01 0.84 0.18 -3.04 0.00 0.00 177.10 175.07 3ikm n LEU 631 N 4.74 2.17 -0.03 3.21 4.77 -1.26 -4.53 117.00 126.07 3ikm n LEU 631 Ca -0.17 -5.04 -0.16 0.00 -0.03 0.00 0.00 56.01 50.61 3ikm n LEU 631 Cb 0.51 0.25 -0.09 0.00 -2.33 0.00 0.00 43.42 41.77 3ikm n LEU 631 CO 0.30 2.21 0.40 0.00 -1.33 0.00 0.00 177.39 178.97 3ikm h ALA 632 N 2.97 0.19 0.00 -1.18 0.00 -1.99 -3.45 119.26 115.80 3ikm h ALA 632 Ca 0.10 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3ikm h ALA 632 Cb 0.87 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3ikm h ALA 632 CO 0.61 0.33 0.00 1.17 0.00 0.00 0.00 179.25 181.36 3ikm n LYS 633 N -4.29 0.00 0.00 0.00 0.00 -1.26 -4.95 118.16 107.66 3ikm n LYS 633 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.23 3ikm n LYS 633 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.60 3ikm n LYS 633 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 3ikm n LEU 634 N 0.00 0.00 0.00 3.14 7.94 -1.26 -4.93 117.00 121.89 3ikm n LEU 634 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3ikm n LEU 634 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3ikm n LEU 634 CO 0.00 0.00 0.00 -0.81 -1.11 0.00 0.00 177.39 175.47 3ikm n PRO 635 N 0.00 0.00 -0.35 1.96 -0.04 -1.26 -4.64 135.00 130.67 3ikm n PRO 635 Ca 0.00 0.00 0.37 0.00 -0.04 0.00 0.00 63.50 63.83 3ikm n PRO 635 Cb 0.00 0.00 0.69 0.00 -0.04 0.00 0.00 33.50 34.15 3ikm n PRO 635 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3ikm h THR 636 N 0.00 0.18 0.00 0.52 2.02 -2.01 0.64 112.91 114.26 3ikm h THR 636 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3ikm h THR 636 Cb 0.00 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.63 3ikm h THR 636 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 3ikm n GLY 637 N -1.76 -2.64 0.25 2.16 0.00 -1.26 -2.79 105.19 99.15 3ikm n GLY 637 Ca 0.28 0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.55 3ikm n GLY 637 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ikm n THR 638 N -2.15 -0.30 0.00 2.61 -1.04 0.22 -2.40 114.28 111.22 3ikm n THR 638 Ca 0.00 1.59 0.00 0.00 -2.04 0.00 0.00 64.05 63.60 3ikm n THR 638 Cb 0.00 -2.32 0.00 0.00 -1.82 0.00 0.00 70.33 66.19 3ikm n THR 638 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3ikm n THR 639 N -5.00 0.00 0.07 12.58 -1.04 -1.12 -0.16 114.28 119.62 3ikm n THR 639 Ca 0.17 0.85 -0.14 0.00 -2.04 0.00 0.00 64.05 62.89 3ikm n THR 639 Cb 0.55 -1.33 -0.07 0.00 -1.82 0.00 0.00 70.33 67.66 3ikm n THR 639 CO 0.00 0.00 0.00 0.17 -0.64 0.00 0.00 175.07 174.60 3ikm h LEU 640 N 0.00 -1.29 -0.25 -4.42 -0.00 -1.56 -3.31 115.31 104.48 3ikm h LEU 640 Ca 0.00 0.15 -0.07 0.00 -0.00 0.00 0.00 57.88 57.96 3ikm h LEU 640 Cb 0.00 0.50 -0.01 0.00 -0.00 0.00 0.00 40.66 41.15 3ikm h LEU 640 CO 0.00 -0.47 -0.11 1.05 -0.00 0.00 0.00 178.44 178.91 3ikm h GLU 641 N -0.60 0.52 -0.55 0.17 4.11 -1.49 -3.04 114.58 113.70 3ikm h GLU 641 Ca 0.04 -0.22 0.10 0.00 0.07 0.00 0.00 59.36 59.35 3ikm h GLU 641 Cb 0.66 -0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.79 3ikm h GLU 641 CO -0.31 0.77 -0.30 0.77 0.07 0.00 0.00 179.01 180.01 3ikm h SER 642 N 0.25 -1.05 0.10 3.06 0.02 -0.65 0.13 113.55 115.41 3ikm h SER 642 Ca 0.06 0.21 0.02 0.00 -0.84 0.00 0.00 61.79 61.24 3ikm h SER 642 Cb 0.61 0.53 -0.04 0.00 0.14 0.00 0.00 62.40 63.64 3ikm h SER 642 CO 0.03 -0.29 -0.33 0.00 -1.14 0.00 0.00 176.83 175.10 3ikm h ALA 643 N 1.04 -0.56 -0.99 3.77 0.00 -1.65 -0.61 119.26 120.27 3ikm h ALA 643 Ca 0.23 -0.05 0.40 0.00 0.00 0.00 0.00 54.91 55.49 3ikm h ALA 643 Cb 0.54 0.55 -0.18 0.00 0.00 0.00 0.00 17.79 18.70 3ikm h ALA 643 CO -0.64 -0.87 0.48 0.41 0.00 0.00 0.00 179.25 178.62 3ikm n GLY 644 N -1.42 -0.81 5.59 0.00 0.00 -0.10 -4.74 105.19 103.70 3ikm n GLY 644 Ca -0.06 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.78 3ikm n GLY 644 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ikm n VAL 645 N -5.27 0.00 -1.40 1.61 0.31 -0.24 -4.85 118.33 108.50 3ikm n VAL 645 Ca 0.36 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.69 3ikm n VAL 645 Cb 1.22 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 34.15 3ikm n VAL 645 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 3ikm n VAL 646 N 0.00 -7.04 -0.77 2.52 3.14 -1.26 -4.62 118.33 110.31 3ikm n VAL 646 Ca 0.00 1.44 0.02 0.00 -2.96 0.00 0.00 64.34 62.85 3ikm n VAL 646 Cb 0.00 -3.98 -0.01 0.00 -1.06 0.00 0.00 33.84 28.79 3ikm n VAL 646 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3ikm h PRO 648 N -0.14 0.00 0.34 0.00 0.13 -1.99 -3.08 132.00 127.26 3ikm h PRO 648 Ca -0.03 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.10 3ikm h PRO 648 Cb 0.54 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.64 3ikm h PRO 648 CO 0.01 0.00 -0.51 1.88 -0.23 0.00 0.00 178.00 179.15 3ikm h TYR 649 N 0.00 -1.45 -0.15 1.56 0.99 -1.94 4.54 116.97 120.51 3ikm h TYR 649 Ca 0.00 0.02 0.04 0.00 2.00 0.00 0.00 58.73 60.80 3ikm h TYR 649 Cb 0.04 0.59 -0.01 0.00 1.00 0.00 0.00 36.73 38.35 3ikm h TYR 649 CO 0.00 -0.64 0.21 0.00 -0.00 0.00 0.00 178.16 177.73 3ikm h ARG 650 N -0.90 0.00 0.12 4.88 3.08 -1.68 10.02 114.38 129.90 3ikm h ARG 650 Ca -0.04 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.68 3ikm h ARG 650 Cb 0.83 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 3ikm h ARG 650 CO -0.16 0.00 -1.71 0.00 -1.07 0.00 0.00 179.97 177.03 3ikm h ALA 651 N 1.73 0.33 0.00 0.04 0.00 -1.29 -0.37 119.26 119.70 3ikm h ALA 651 Ca 0.07 -1.22 -0.13 0.00 0.00 0.00 0.00 54.91 53.63 3ikm h ALA 651 Cb 0.48 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3ikm h ALA 651 CO -0.00 1.20 -0.61 0.82 0.00 0.00 0.00 179.25 180.65 3ikm h ILE 652 N 0.07 1.13 0.07 0.00 2.04 1.31 -2.78 117.51 119.35 3ikm h ILE 652 Ca -0.31 -2.39 -0.13 0.00 1.00 0.00 0.00 64.86 63.02 3ikm h ILE 652 Cb 2.04 2.42 0.01 0.00 -0.74 0.00 0.00 36.82 40.56 3ikm h ILE 652 CO 0.14 0.60 -0.56 -0.08 0.00 0.00 0.00 178.15 178.26 3ikm h GLU 653 N 0.00 0.25 -0.93 2.37 4.81 2.16 -1.96 114.58 121.28 3ikm h GLU 653 Ca -0.01 -0.36 0.12 0.00 -0.13 0.00 0.00 59.36 58.98 3ikm h GLU 653 Cb 1.37 0.13 -0.07 0.00 0.63 0.00 0.00 28.75 30.81 3ikm h GLU 653 CO 0.08 1.13 0.60 0.66 -0.73 0.00 0.00 179.01 180.75 3ikm h SER 654 N -0.46 0.79 -0.01 1.04 4.64 -1.11 -0.11 113.55 118.33 3ikm h SER 654 Ca -0.09 0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3ikm h SER 654 Cb 1.39 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3ikm h SER 654 CO 0.11 0.43 -0.01 0.17 -0.87 0.00 0.00 176.83 176.65 3ikm h LEU 655 N 0.86 0.03 0.00 5.97 8.10 -1.44 0.67 115.31 129.49 3ikm h LEU 655 Ca 0.46 -0.48 0.00 0.00 0.11 0.00 0.00 57.88 57.97 3ikm h LEU 655 Cb 0.55 -0.01 0.00 0.00 -0.44 0.00 0.00 40.66 40.76 3ikm h LEU 655 CO -0.22 0.50 0.00 0.00 -4.11 0.00 0.00 178.44 174.61 3ikm n TYR 656 N -4.84 0.00 -0.11 0.17 0.18 -0.74 -0.49 117.16 111.33 3ikm n TYR 656 Ca -0.08 0.00 -0.24 0.00 1.88 0.00 0.00 57.90 59.45 3ikm n TYR 656 Cb 0.25 -0.25 -0.11 0.00 -0.38 0.00 0.00 39.34 38.85 3ikm n TYR 656 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 3ikm n ARG 657 N -1.25 0.62 0.11 -3.48 1.74 -0.11 -1.52 116.66 112.77 3ikm n ARG 657 Ca 0.05 0.34 -0.06 0.00 -0.77 0.00 0.00 57.85 57.42 3ikm n ARG 657 Cb 0.07 -1.61 -0.03 0.00 -1.02 0.00 0.00 32.46 29.88 3ikm n ARG 657 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3ikm h LYS 658 N -0.69 -0.33 0.00 5.56 1.79 0.63 0.30 116.57 123.83 3ikm h LYS 658 Ca -0.53 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 57.96 3ikm h LYS 658 Cb 1.62 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 32.35 3ikm h LYS 658 CO -0.23 -0.22 0.00 1.58 -1.08 0.00 0.00 179.45 179.50 3ikm n HIS 659 N -3.21 0.00 0.00 -1.35 -0.00 0.36 -2.47 115.22 108.55 3ikm n HIS 659 Ca -0.04 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.14 3ikm n HIS 659 Cb 0.15 -0.49 0.00 0.00 -0.12 0.00 0.00 29.99 29.53 3ikm n HIS 659 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3ikm h LEU 661 N 0.00 0.92 -0.46 0.00 5.85 -1.29 -1.95 115.31 118.38 3ikm h LEU 661 Ca 0.00 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 3ikm h LEU 661 Cb 0.00 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 3ikm h LEU 661 CO 0.00 0.62 0.12 1.05 -0.34 0.00 0.00 178.44 179.90 3ikm h GLU 662 N 1.07 0.74 -0.16 1.25 9.09 -1.52 0.11 114.58 125.16 3ikm h GLU 662 Ca 0.36 -0.17 0.04 0.00 0.05 0.00 0.00 59.36 59.63 3ikm h GLU 662 Cb 0.07 -0.10 -0.04 0.00 -1.65 0.00 0.00 28.75 27.03 3ikm h GLU 662 CO -0.11 0.72 -0.09 1.96 0.05 0.00 0.00 179.01 181.54 3ikm h GLN 663 N 0.62 -0.07 -0.60 1.06 4.20 0.83 1.38 115.11 122.52 3ikm h GLN 663 Ca 0.15 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.88 3ikm h GLN 663 Cb 0.31 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.07 3ikm h GLN 663 CO -0.00 -0.05 0.38 0.78 -0.67 0.00 0.00 178.83 179.27 3ikm h GLY 664 N -0.08 0.86 0.89 3.46 0.00 -1.04 0.86 103.07 108.03 3ikm h GLY 664 Ca 0.09 -0.29 -0.12 0.00 0.00 0.00 0.00 47.33 47.01 3ikm h GLY 664 CO -0.21 0.26 -0.36 0.07 0.00 0.00 0.00 176.54 176.29 3ikm h LYS 665 N 0.75 0.56 0.00 4.80 2.10 -0.54 -2.91 116.57 121.34 3ikm h LYS 665 Ca 0.24 -0.37 -0.02 0.00 -2.00 0.00 0.00 60.65 58.50 3ikm h LYS 665 Cb -0.01 0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 31.36 3ikm h LYS 665 CO -0.09 0.98 -0.08 0.37 -2.00 0.00 0.00 179.45 178.63 3ikm h GLN 666 N 0.22 0.00 -0.01 0.07 -0.00 0.23 -1.89 115.11 113.74 3ikm h GLN 666 Ca 0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.64 3ikm h GLN 666 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.45 3ikm h GLN 666 CO 0.08 0.08 -0.08 -0.56 0.00 0.00 0.00 178.83 178.36 3ikm h GLN 667 N 0.00 0.06 -0.68 1.69 3.07 0.94 -2.96 115.11 117.23 3ikm h GLN 667 Ca -0.00 -0.06 -0.03 0.00 0.09 0.00 0.00 58.65 58.65 3ikm h GLN 667 Cb 0.15 0.01 -0.03 0.00 0.08 0.00 0.00 27.48 27.69 3ikm h GLN 667 CO 0.01 0.79 0.30 1.37 0.09 0.00 0.00 178.83 181.39 3ikm h LEU 668 N -0.64 0.91 0.56 0.06 -0.00 -1.41 0.11 115.31 114.90 3ikm h LEU 668 Ca -0.01 -0.15 -0.02 0.00 -0.00 0.00 0.00 57.88 57.70 3ikm h LEU 668 Cb 0.81 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 41.22 3ikm h LEU 668 CO 0.02 0.81 -0.48 0.00 -0.00 0.00 0.00 178.44 178.78 3ikm h MET 669 N 0.96 -0.98 0.08 0.17 -0.00 -1.41 -0.02 114.93 113.72 3ikm h MET 669 Ca 0.23 0.07 -0.00 0.00 -0.00 0.00 0.00 59.70 59.99 3ikm h MET 669 Cb 0.16 0.22 0.00 0.00 -0.00 0.00 0.00 31.60 31.98 3ikm h MET 669 CO -0.02 -0.65 -0.04 -1.00 -0.00 0.00 0.00 176.91 175.19 3ikm h PRO 670 N -1.02 -0.11 -0.26 -0.10 0.13 -1.43 1.94 132.00 131.15 3ikm h PRO 670 Ca -0.07 0.01 0.02 0.00 -0.87 0.00 0.00 66.00 65.09 3ikm h PRO 670 Cb 0.86 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.98 3ikm h PRO 670 CO -0.02 0.36 -0.19 1.96 -0.23 0.00 0.00 178.00 179.88 3ikm h GLN 671 N -0.62 -0.04 -0.67 0.86 1.08 -0.80 0.24 115.11 115.15 3ikm h GLN 671 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 3ikm h GLN 671 Cb 0.51 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 3ikm h GLN 671 CO 0.02 -0.03 0.00 0.39 -0.95 0.00 0.00 178.83 178.26 3ikm n GLU 672 N -3.68 3.20 0.00 1.46 1.02 -0.04 -5.07 120.64 117.54 3ikm n GLU 672 Ca 0.00 -1.98 0.00 0.00 -0.02 0.00 0.00 57.16 55.16 3ikm n GLU 672 Cb 0.09 -1.85 0.00 0.00 -0.02 0.00 0.00 31.44 29.66 3ikm n GLU 672 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ikm n ALA 673 N 0.53 0.00 0.00 0.62 0.00 0.66 -4.89 120.51 117.43 3ikm n ALA 673 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 3ikm n ALA 673 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.21 3ikm n ALA 673 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ikm n ALA 710 N -3.00 0.00 -3.21 0.00 0.00 -1.26 -4.83 120.51 108.21 3ikm n ALA 710 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 3ikm n ALA 710 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 0.00 4.52 -0.11 0.00 0.00 -1.24 -4.24 120.51 119.43 3ikm n ALA 711 Ca 0.00 -4.76 0.00 0.00 0.00 0.00 0.00 53.44 48.68 3ikm n ALA 711 Cb 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.22 3ikm n ALA 711 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3ikm n VAL 712 N 0.69 0.00 -0.83 0.00 0.24 -1.25 -4.40 118.33 112.78 3ikm n VAL 712 Ca 0.30 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.68 3ikm n VAL 712 Cb 0.38 0.00 0.36 0.00 -1.47 0.00 0.00 33.84 33.11 3ikm n VAL 712 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 3ikm n PRO 713 N -2.00 4.13 -0.01 7.34 -0.02 -1.26 -4.52 135.00 138.66 3ikm n PRO 713 Ca 0.00 -3.00 -0.21 0.00 -2.02 0.00 0.00 63.50 58.27 3ikm n PRO 713 Cb 0.00 -2.05 -0.13 0.00 -0.02 0.00 0.00 33.50 31.29 3ikm n PRO 713 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3ikm h GLY 714 N 3.48 0.23 -7.14 -1.23 0.00 -1.90 -2.73 103.07 93.79 3ikm h GLY 714 Ca 0.00 -0.59 -0.60 0.00 0.00 0.00 0.00 47.33 46.14 3ikm h GLY 714 CO 0.35 0.52 1.44 1.62 0.00 0.00 0.00 176.54 180.48 3ikm s GLN 715 N -2.46 3.58 0.00 4.80 0.74 -1.26 -4.65 119.66 120.41 3ikm s GLN 715 Ca -0.21 -1.14 0.00 0.00 0.05 0.00 0.00 55.36 54.06 3ikm s GLN 715 Cb 0.04 -5.30 0.00 0.00 1.10 0.00 0.00 33.01 28.85 3ikm s GLN 715 CO 0.74 -2.18 0.17 -0.35 -0.55 0.00 0.00 175.29 173.12 3ikm n PRO 716 N 8.75 0.00 0.00 1.67 -0.04 -1.26 -2.24 135.00 141.88 3ikm n PRO 716 Ca 0.32 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.95 3ikm n PRO 716 Cb 0.51 -0.30 0.00 0.00 -0.04 0.00 0.00 33.50 33.67 3ikm n PRO 716 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3ikm n LEU 717 N -1.08 0.00 -0.31 1.53 4.32 -1.26 -2.34 117.00 117.85 3ikm n LEU 717 Ca 0.00 0.59 0.05 0.00 -0.02 0.00 0.00 56.01 56.63 3ikm n LEU 717 Cb 0.00 -0.24 0.12 0.00 -1.62 0.00 0.00 43.42 41.68 3ikm n LEU 717 CO 0.00 -0.24 0.57 0.00 -1.22 0.00 0.00 177.39 176.50 3ikm n ALA 718 N -2.12 0.21 -1.00 -1.18 0.00 -0.95 -2.00 120.51 113.46 3ikm n ALA 718 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 53.44 54.40 3ikm n ALA 718 Cb 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 18.88 3ikm n ALA 718 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ikm n LEU 719 N -5.42 0.00 -0.05 0.00 4.77 -0.99 -2.79 117.00 112.53 3ikm n LEU 719 Ca 0.14 0.32 -0.08 0.00 -0.03 0.00 0.00 56.01 56.36 3ikm n LEU 719 Cb 0.43 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.50 3ikm n LEU 719 CO -0.10 0.00 0.83 0.00 -1.33 0.00 0.00 177.39 176.79 3ikm h THR 720 N 0.00 0.78 -1.48 -5.08 1.03 -1.68 -2.40 112.91 104.09 3ikm h THR 720 Ca 0.00 -0.01 0.43 0.00 -0.01 0.00 0.00 66.41 66.82 3ikm h THR 720 Cb 0.00 0.77 -0.06 0.00 -1.07 0.00 0.00 68.15 67.79 3ikm h THR 720 CO 0.00 0.00 1.18 0.00 -0.01 0.00 0.00 175.52 176.69 3ikm h ALA 721 N 1.22 3.39 0.00 0.00 0.00 -1.54 -3.42 119.26 118.91 3ikm h ALA 721 Ca 0.11 -0.05 -0.36 0.00 0.00 0.00 0.00 54.91 54.61 3ikm h ALA 721 Cb 0.16 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3ikm h ALA 721 CO -0.23 -1.94 0.82 0.54 0.00 0.00 0.00 179.25 178.45 3ikm n ARG 722 N -3.83 0.00 -1.22 0.00 1.74 -0.90 -2.02 116.66 110.43 3ikm n ARG 722 Ca 0.33 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.41 3ikm n ARG 722 Cb 1.63 -0.82 0.00 0.00 -1.02 0.00 0.00 32.46 32.25 3ikm n ARG 722 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ikm n GLY 723 N 3.87 -0.35 3.41 -0.13 0.00 -1.26 -5.10 105.19 105.62 3ikm n GLY 723 Ca 0.33 -0.23 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.08 1.66 0.00 -0.02 0.00 -0.85 -4.39 107.32 102.64 3ikm s GLY 724 Ca 0.00 -1.68 0.07 0.00 0.00 0.00 0.00 44.72 43.11 3ikm s GLY 724 CO 0.00 -1.74 1.07 -1.05 0.00 0.00 0.00 173.10 171.39 3ikm n PRO 725 N -0.06 2.33 0.00 2.90 -0.02 -1.16 -4.47 135.00 134.52 3ikm n PRO 725 Ca -0.10 -1.67 0.00 0.00 -2.02 0.00 0.00 63.50 59.72 3ikm n PRO 725 Cb 0.58 -1.16 0.00 0.00 -0.02 0.00 0.00 33.50 32.89 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 0.20 0.00 -0.42 -0.52 4.76 -1.26 -4.85 118.16 116.07 3ikm n LYS 726 Ca 0.07 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.45 3ikm n LYS 726 Cb 0.33 0.00 0.06 0.00 -1.84 0.00 0.00 35.03 33.57 3ikm n LYS 726 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3ikm n ASP 727 N -0.65 -1.99 0.00 4.39 10.43 -1.26 -4.88 116.55 122.58 3ikm n ASP 727 Ca 0.00 -0.17 0.00 0.00 2.57 0.00 0.00 54.79 57.19 3ikm n ASP 727 Cb 0.00 -0.45 0.00 0.00 1.84 0.00 0.00 41.12 42.51 3ikm n ASP 727 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 3ikm n THR 728 N -3.34 0.00 -3.92 -3.53 -1.04 -1.26 -5.08 114.28 96.10 3ikm n THR 728 Ca 0.03 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.95 3ikm n THR 728 Cb 0.12 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.54 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 0.64 0.22 -2.82 1.11 -1.26 -4.96 119.66 112.58 3ikm s GLN 729 Ca 0.00 -0.82 -0.04 0.00 0.01 0.00 0.00 55.36 54.51 3ikm s GLN 729 Cb 0.00 0.25 0.19 0.00 -1.01 0.00 0.00 33.01 32.44 3ikm s GLN 729 CO 0.00 -0.17 1.63 -1.00 0.01 0.00 0.00 175.29 175.77 3ikm h PRO 730 N 3.46 0.77 -2.81 2.91 0.13 -1.91 -3.45 132.00 131.10 3ikm h PRO 730 Ca -0.33 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 3ikm h PRO 730 Cb 1.18 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3ikm h PRO 730 CO 0.52 0.92 0.00 0.43 -0.23 0.00 0.00 178.00 179.64 3ikm n SER 731 N -4.12 -0.45 -4.03 1.44 7.64 -1.26 -0.68 113.62 112.16 3ikm n SER 731 Ca 0.00 0.23 -0.28 0.00 1.01 0.00 0.00 58.87 59.83 3ikm n SER 731 Cb 0.43 -0.46 -0.03 0.00 -1.01 0.00 0.00 64.21 63.14 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 -1.14 -1.56 -1.52 1.43 4.01 -1.26 -4.74 117.16 112.37 3ikm n TYR 732 Ca 0.00 0.67 -0.42 0.00 -0.16 0.00 0.00 57.90 57.98 3ikm n TYR 732 Cb 0.23 -3.47 -0.02 0.00 -0.31 0.00 0.00 39.34 35.77 3ikm n TYR 732 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 3ikm n HIS 733 N -4.46 2.91 -0.13 -0.72 -0.00 0.14 -4.66 115.22 108.31 3ikm n HIS 733 Ca -0.29 -2.53 0.26 0.00 0.46 0.00 0.00 57.72 55.62 3ikm n HIS 733 Cb 0.68 -2.24 0.72 0.00 -0.12 0.00 0.00 29.99 29.03 3ikm n HIS 733 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 3ikm h HIS 734 N 6.74 0.00 0.00 1.57 -0.00 -1.88 -3.41 115.15 118.17 3ikm h HIS 734 Ca 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.88 3ikm h HIS 734 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.06 3ikm h HIS 734 CO 1.38 0.00 0.00 0.41 -0.00 0.00 0.00 177.93 179.72 3ikm n GLY 735 N -1.69 -2.20 3.75 2.45 0.00 -1.26 -4.98 105.19 101.25 3ikm n GLY 735 Ca 0.16 -0.46 -0.08 0.00 0.00 0.00 0.00 46.02 45.64 3ikm n GLY 735 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ikm s ASN 736 N -1.79 -0.23 -0.52 1.61 0.01 -1.26 -4.55 114.94 108.22 3ikm s ASN 736 Ca 0.00 -0.66 0.02 0.00 -0.71 0.00 0.00 52.86 51.51 3ikm s ASN 736 Cb 0.00 0.68 0.53 0.00 0.41 0.00 0.00 41.25 42.86 3ikm s ASN 736 CO 0.00 -1.26 1.85 0.61 -1.51 0.00 0.00 177.10 176.79 3ikm n GLY 737 N -0.43 5.38 1.35 0.66 0.00 -1.26 -4.94 105.19 105.96 3ikm n GLY 737 Ca -0.04 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.14 3ikm n GLY 737 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ikm n PRO 738 N -1.00 0.00 0.00 1.61 -0.02 -1.26 -4.48 135.00 129.85 3ikm n PRO 738 Ca 0.57 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3ikm n PRO 738 Cb 1.06 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.54 3ikm n PRO 738 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3ikm n TYR 739 N -0.23 -1.30 0.00 6.00 4.02 -1.26 -4.65 117.16 119.74 3ikm n TYR 739 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3ikm n TYR 739 Cb 0.00 0.20 0.00 0.00 -0.02 0.00 0.00 39.34 39.52 3ikm n TYR 739 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3ikm n ASN 740 N -3.19 0.00 -4.64 7.72 5.15 -1.26 -4.39 115.26 114.65 3ikm n ASN 740 Ca 0.00 0.00 -0.24 0.00 -0.60 0.00 0.00 54.58 53.74 3ikm n ASN 740 Cb 0.00 0.00 0.11 0.00 -0.53 0.00 0.00 39.78 39.36 3ikm n ASN 740 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 3ikm s ASP 741 N 0.00 4.26 0.00 1.20 1.47 -1.26 -4.90 116.67 117.44 3ikm s ASP 741 Ca 0.00 -0.21 0.00 0.00 1.18 0.00 0.00 52.55 53.52 3ikm s ASP 741 Cb 0.00 -0.17 0.00 0.00 -0.34 0.00 0.00 42.92 42.41 3ikm s ASP 741 CO 0.00 -1.92 0.00 0.52 0.68 0.00 0.00 175.17 174.45 3ikm n VAL 742 N -2.93 -2.34 -4.01 2.11 0.31 -1.26 -4.92 118.33 105.28 3ikm n VAL 742 Ca 0.14 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.39 3ikm n VAL 742 Cb 0.60 -3.09 -0.09 0.00 -0.91 0.00 0.00 33.84 30.36 3ikm n VAL 742 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3ikm s ASP 743 N 0.00 0.33 1.33 4.52 1.01 -1.26 -4.84 116.67 117.75 3ikm s ASP 743 Ca 0.00 -0.90 0.00 0.00 0.71 0.00 0.00 52.55 52.36 3ikm s ASP 743 Cb 0.00 0.27 0.00 0.00 1.01 0.00 0.00 42.92 44.20 3ikm s ASP 743 CO 0.00 -0.67 0.00 2.30 0.21 0.00 0.00 175.17 177.01 3ikm n ILE 744 N 0.02 0.00 0.05 0.77 -0.00 -1.12 -4.00 119.36 115.07 3ikm n ILE 744 Ca -0.13 0.00 -0.02 0.00 -0.00 0.00 0.00 62.75 62.60 3ikm n ILE 744 Cb 0.62 0.00 -0.08 0.00 -0.00 0.00 0.00 39.64 40.18 3ikm n ILE 744 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.55 178.10 3ikm h PRO 745 N 0.00 0.00 -6.87 6.28 0.13 -1.86 -1.17 132.00 128.51 3ikm h PRO 745 Ca 0.00 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.44 3ikm h PRO 745 Cb 0.00 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 30.90 3ikm h PRO 745 CO 0.00 0.46 -0.87 0.20 -0.23 0.00 0.00 178.00 177.56 3ikm s GLY 746 N -4.78 1.55 0.24 1.56 0.00 -1.23 -0.81 107.32 103.85 3ikm s GLY 746 Ca -0.01 -1.43 -0.06 0.00 0.00 0.00 0.00 44.72 43.22 3ikm s GLY 746 CO 0.80 -1.40 0.51 0.00 0.00 0.00 0.00 173.10 173.01 3ikm s TRP 748 N -1.93 1.00 -0.32 0.00 1.48 -1.26 0.32 118.94 118.22 3ikm s TRP 748 Ca 0.44 -0.31 -0.16 0.00 -1.06 0.00 0.00 56.10 55.02 3ikm s TRP 748 Cb -0.11 -0.60 -0.02 0.00 -1.16 0.00 0.00 33.47 31.58 3ikm s TRP 748 CO 0.27 0.00 0.39 -0.06 -4.06 0.00 0.00 176.95 173.49 3ikm s PHE 749 N -0.71 3.22 -0.88 1.66 0.40 -0.79 -4.17 117.98 116.71 3ikm s PHE 749 Ca 0.00 0.17 -0.25 0.00 -0.60 0.00 0.00 56.93 56.25 3ikm s PHE 749 Cb -0.07 -2.68 -0.05 0.00 0.51 0.00 0.00 43.02 40.73 3ikm s PHE 749 CO 0.01 -0.38 1.98 -0.06 0.70 0.00 0.00 175.22 177.47 3ikm s PHE 750 N 2.10 1.74 0.02 0.36 0.40 -1.26 -1.16 117.98 120.18 3ikm s PHE 750 Ca 0.14 0.76 -0.31 0.00 -0.60 0.00 0.00 56.93 56.92 3ikm s PHE 750 Cb -0.16 -3.99 -0.16 0.00 0.51 0.00 0.00 43.02 39.22 3ikm s PHE 750 CO 0.11 -1.76 0.80 1.17 0.70 0.00 0.00 175.22 176.24 3ikm n LYS 751 N 8.87 0.00 -2.61 0.44 4.81 -1.14 -4.55 118.16 123.99 3ikm n LYS 751 Ca 0.40 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.62 3ikm n LYS 751 Cb 0.47 -1.15 0.06 0.00 0.02 0.00 0.00 35.03 34.43 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 0.32 3.16 0.00 3.14 1.43 -1.26 -4.75 118.68 120.72 3ikm s LEU 752 Ca 0.70 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.69 3ikm s LEU 752 Cb -0.98 -2.60 0.00 0.00 0.03 0.00 0.00 46.19 42.64 3ikm s LEU 752 CO 0.46 -1.38 0.00 -2.65 0.23 0.00 0.00 176.35 173.01 3ikm n PRO 753 N -2.51 2.06 0.00 1.29 -0.02 -1.26 -4.99 135.00 129.57 3ikm n PRO 753 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3ikm n PRO 753 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.08 3ikm n PRO 753 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3ikm n HIS 754 N -0.12 0.00 0.01 6.00 -0.00 -1.26 -4.84 115.22 115.01 3ikm n HIS 754 Ca 0.00 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.06 3ikm n HIS 754 Cb 0.00 0.11 -0.07 0.00 -0.12 0.00 0.00 29.99 29.91 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 0.00 0.06 0.00 1.57 1.57 -1.95 3.71 116.57 121.53 3ikm h LYS 755 Ca 0.00 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 3ikm h LYS 755 Cb 0.98 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.28 3ikm h LYS 755 CO 0.00 0.16 -0.16 -0.44 -0.57 0.00 0.00 179.45 178.44 3ikm h ASP 756 N -0.05 0.00 0.09 0.86 5.19 -1.93 0.83 116.42 121.40 3ikm h ASP 756 Ca 0.02 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 56.18 3ikm h ASP 756 Cb 0.12 0.00 0.02 0.00 0.18 0.00 0.00 39.33 39.66 3ikm h ASP 756 CO -0.00 0.16 -0.99 1.23 -3.12 0.00 0.00 179.24 176.52 3ikm h GLY 757 N 0.62 0.58 0.00 2.75 0.00 -1.65 -3.46 103.07 101.91 3ikm h GLY 757 Ca -0.00 -1.19 0.00 0.00 0.00 0.00 0.00 47.33 46.14 3ikm h GLY 757 CO 0.02 1.05 0.00 -2.01 0.00 0.00 0.00 176.54 175.60 3ikm n ASN 758 N -3.97 0.00 -0.02 0.19 5.15 1.22 -4.85 115.26 112.98 3ikm n ASN 758 Ca -0.13 0.00 0.05 0.00 -0.60 0.00 0.00 54.58 53.91 3ikm n ASN 758 Cb 0.87 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 39.99 3ikm n ASN 758 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 3ikm n SER 759 N 3.62 1.11 -1.06 1.20 2.88 -1.26 -4.65 113.62 115.46 3ikm n SER 759 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3ikm n SER 759 Cb 0.00 1.60 0.00 0.00 -0.75 0.00 0.00 64.21 65.06 3ikm n SER 759 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ikm s ASN 761 N -0.51 6.94 0.07 0.00 -0.87 -1.26 -4.24 114.94 115.06 3ikm s ASN 761 Ca 0.00 2.49 -0.01 0.00 -1.57 0.00 0.00 52.86 53.77 3ikm s ASN 761 Cb 0.00 -2.63 0.14 0.00 -0.02 0.00 0.00 41.25 38.74 3ikm s ASN 761 CO 0.00 -0.44 0.35 1.33 -2.57 0.00 0.00 177.10 175.77 3ikm n VAL 762 N 1.54 -0.09 0.00 1.60 0.24 -1.26 -4.62 118.33 115.74 3ikm n VAL 762 Ca 0.02 0.50 0.00 0.00 -2.04 0.00 0.00 64.34 62.82 3ikm n VAL 762 Cb 0.43 -0.72 0.00 0.00 -1.47 0.00 0.00 33.84 32.08 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 -1.13 0.00 3.06 7.63 0.00 -0.10 -4.73 105.19 109.92 3ikm n GLY 763 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 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 1.72 0.07 1.61 1.04 -1.26 -4.67 113.70 112.21 3ikm s SER 764 Ca 0.00 -0.28 -0.15 0.00 0.48 0.00 0.00 55.95 56.01 3ikm s SER 764 Cb 0.00 -0.54 -0.22 0.00 0.10 0.00 0.00 66.02 65.37 3ikm s SER 764 CO 0.00 0.10 1.20 1.55 0.98 0.00 0.00 173.24 177.07 3ikm h PRO 765 N 6.44 0.68 -0.35 4.02 0.13 -1.85 -2.61 132.00 138.47 3ikm h PRO 765 Ca -0.33 -0.69 0.00 0.00 -0.87 0.00 0.00 66.00 64.11 3ikm h PRO 765 Cb 1.17 0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.49 3ikm h PRO 765 CO 0.48 1.28 0.00 1.19 -0.23 0.00 0.00 178.00 180.72 3ikm n PHE 766 N -3.93 0.46 -1.02 1.56 3.01 -1.26 -4.76 117.46 111.52 3ikm n PHE 766 Ca -0.10 -0.23 -0.39 0.00 1.01 0.00 0.00 57.45 57.74 3ikm n PHE 766 Cb 0.82 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 40.25 3ikm n PHE 766 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3ikm n ALA 767 N 0.54 -2.57 -1.00 4.37 0.00 -0.98 -4.61 120.51 116.25 3ikm n ALA 767 Ca 0.12 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.94 3ikm n ALA 767 Cb 0.30 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.56 3ikm n ALA 767 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3ikm n LYS 768 N 0.93 1.52 0.00 0.00 4.81 -1.26 -3.49 118.16 120.68 3ikm n LYS 768 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 3ikm n LYS 768 Cb 0.09 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.14 3ikm n LYS 768 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 3ikm n ASP 769 N 0.00 0.00 0.27 3.14 2.03 -1.26 -3.41 116.55 117.32 3ikm n ASP 769 Ca 0.00 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.14 3ikm n ASP 769 Cb 0.00 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.31 3ikm n ASP 769 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 3ikm h PHE 770 N 0.00 -1.35 -0.95 -0.67 0.04 -1.94 -3.21 116.94 108.87 3ikm h PHE 770 Ca 0.00 0.01 0.22 0.00 2.80 0.00 0.00 57.97 61.00 3ikm h PHE 770 Cb 0.00 0.53 -0.12 0.00 2.20 0.00 0.00 35.95 38.56 3ikm h PHE 770 CO 0.00 -0.64 0.51 -0.07 -0.60 0.00 0.00 178.31 177.51 3ikm h LEU 771 N -0.95 0.56 -0.38 1.54 -0.00 -1.65 -0.44 115.31 113.98 3ikm h LEU 771 Ca -0.06 0.13 -0.07 0.00 -0.00 0.00 0.00 57.88 57.89 3ikm h LEU 771 Cb 0.83 0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.53 3ikm h LEU 771 CO -0.07 0.11 -0.03 1.55 -0.00 0.00 0.00 178.44 180.00 3ikm h PRO 772 N 0.55 0.69 -1.03 1.13 0.13 -1.59 -1.65 132.00 130.23 3ikm h PRO 772 Ca 0.59 -0.23 0.26 0.00 -0.87 0.00 0.00 66.00 65.74 3ikm h PRO 772 Cb 1.06 -0.05 -0.10 0.00 0.13 0.00 0.00 31.00 32.03 3ikm h PRO 772 CO -0.47 0.81 0.65 0.87 -0.23 0.00 0.00 178.00 179.63 3ikm h LYS 773 N 0.50 0.42 0.00 0.86 1.57 -1.09 0.36 116.57 119.19 3ikm h LYS 773 Ca 0.10 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3ikm h LYS 773 Cb 0.51 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3ikm h LYS 773 CO 0.03 0.28 -0.40 -1.33 -0.57 0.00 0.00 179.45 177.45 3ikm n MET 774 N -4.67 0.08 -0.03 3.15 2.81 -0.84 0.58 117.12 118.20 3ikm n MET 774 Ca 0.25 0.03 -0.13 0.00 -1.81 0.00 0.00 57.70 56.04 3ikm n MET 774 Cb 0.84 -1.56 -0.09 0.00 -0.71 0.00 0.00 33.22 31.71 3ikm n MET 774 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3ikm h GLU 775 N 0.00 0.17 0.00 0.03 5.08 0.62 -0.15 114.58 120.33 3ikm h GLU 775 Ca 0.00 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 3ikm h GLU 775 Cb 0.57 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 3ikm h GLU 775 CO 0.00 0.64 -0.27 0.38 -1.00 0.00 0.00 179.01 178.76 3ikm h ASP 776 N -0.29 0.00 -1.63 1.42 2.03 -1.52 -3.45 116.42 112.98 3ikm h ASP 776 Ca 0.01 0.00 -0.49 0.00 -0.73 0.00 0.00 57.03 55.82 3ikm h ASP 776 Cb 0.61 0.00 0.25 0.00 -0.83 0.00 0.00 39.33 39.36 3ikm h ASP 776 CO 0.02 0.27 -2.04 0.61 -1.03 0.00 0.00 179.24 177.07 3ikm n GLY 777 N 0.55 -3.00 0.22 7.15 0.00 0.20 -4.83 105.19 105.48 3ikm n GLY 777 Ca 0.01 -0.43 0.06 0.00 0.00 0.00 0.00 46.02 45.67 3ikm n GLY 777 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ikm h THR 778 N -1.35 1.03 -3.91 2.61 2.02 -1.84 -3.43 112.91 108.04 3ikm h THR 778 Ca -0.44 -0.78 -0.52 0.00 0.77 0.00 0.00 66.41 65.44 3ikm h THR 778 Cb 1.37 1.43 -0.31 0.00 -1.74 0.00 0.00 68.15 68.90 3ikm h THR 778 CO 0.27 0.21 -0.82 -1.48 0.37 0.00 0.00 175.52 174.07 3ikm s LEU 779 N -8.19 1.89 0.00 2.58 0.05 -1.26 -5.01 118.68 108.75 3ikm s LEU 779 Ca -0.03 -0.31 0.00 0.00 0.05 0.00 0.00 54.13 53.84 3ikm s LEU 779 Cb 0.15 -0.85 0.00 0.00 -2.05 0.00 0.00 46.19 43.43 3ikm s LEU 779 CO 0.68 0.13 0.00 0.00 -0.55 0.00 0.00 176.35 176.61 3ikm n GLN 780 N 3.14 -1.89 -4.43 1.48 1.13 -1.26 -4.48 117.38 111.08 3ikm n GLN 780 Ca -0.18 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 54.66 3ikm n GLN 780 Cb 0.53 0.00 -0.09 0.00 0.11 0.00 0.00 30.24 30.79 3ikm n GLN 780 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3ikm s ALA 781 N -2.00 2.42 0.00 -1.58 0.00 -1.18 -4.43 121.76 115.00 3ikm s ALA 781 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 51.96 50.32 3ikm s ALA 781 Cb 0.00 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.98 3ikm s ALA 781 CO 0.00 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 175.78 3ikm n GLY 782 N -0.73 0.40 0.17 0.00 0.00 -1.03 -4.23 105.19 99.78 3ikm n GLY 782 Ca -0.03 -0.36 -0.05 0.00 0.00 0.00 0.00 46.02 45.58 3ikm n GLY 782 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ikm h PRO 783 N 0.00 0.29 -2.31 1.61 0.13 -1.93 -3.41 132.00 126.37 3ikm h PRO 783 Ca 0.00 -0.02 -0.73 0.00 -0.87 0.00 0.00 66.00 64.39 3ikm h PRO 783 Cb 0.00 -0.06 -0.33 0.00 0.13 0.00 0.00 31.00 30.74 3ikm h PRO 783 CO 0.00 0.19 0.38 0.41 -0.23 0.00 0.00 178.00 178.75 3ikm n GLY 784 N -1.24 5.83 0.00 1.56 0.00 -1.26 -5.03 105.19 105.05 3ikm n GLY 784 Ca 0.03 -2.67 0.00 0.00 0.00 0.00 0.00 46.02 43.38 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 0.03 0.38 0.09 -0.02 0.00 -1.26 -4.86 105.19 99.55 3ikm n GLY 785 Ca 0.39 -1.48 -0.02 0.00 0.00 0.00 0.00 46.02 44.91 3ikm n GLY 785 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ikm h ALA 786 N 0.00 -0.21 0.00 4.61 0.00 -1.96 -3.45 119.26 118.25 3ikm h ALA 786 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3ikm h ALA 786 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3ikm h ALA 786 CO 0.00 -0.20 0.00 0.43 0.00 0.00 0.00 179.25 179.48 3ikm n SER 787 N -3.90 0.00 0.10 0.00 7.64 -1.26 -1.77 113.62 114.43 3ikm n SER 787 Ca -0.02 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.81 3ikm n SER 787 Cb 0.06 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.37 3ikm n SER 787 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3ikm h GLY 788 N 0.00 0.18 0.00 0.23 0.00 -1.86 -2.70 103.07 98.92 3ikm h GLY 788 Ca 0.00 -0.24 0.12 0.00 0.00 0.00 0.00 47.33 47.20 3ikm h GLY 788 CO 0.00 0.22 -0.02 -2.55 0.00 0.00 0.00 176.54 174.19 3ikm h PRO 789 N 0.12 0.10 -0.38 4.80 0.11 -1.62 2.32 132.00 137.44 3ikm h PRO 789 Ca -0.01 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.17 3ikm h PRO 789 Cb 1.18 -0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.18 3ikm h PRO 789 CO 0.10 0.06 -0.19 0.00 -0.21 0.00 0.00 178.00 177.76 3ikm h ARG 790 N 0.10 -0.12 0.00 1.05 2.47 -1.21 0.43 114.38 117.11 3ikm h ARG 790 Ca 0.29 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 59.02 3ikm h ARG 790 Cb 0.46 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.81 3ikm h ARG 790 CO -0.50 -0.08 0.00 0.00 0.56 0.00 0.00 179.97 179.95 3ikm n ALA 791 N -2.84 -0.28 -0.09 0.04 0.00 0.66 0.18 120.51 118.18 3ikm n ALA 791 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.38 3ikm n ALA 791 Cb 0.28 0.14 -0.02 0.00 0.00 0.00 0.00 19.45 19.85 3ikm n ALA 791 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 3ikm h LEU 792 N 0.00 -1.04 -0.55 0.00 8.10 0.23 0.30 115.31 122.34 3ikm h LEU 792 Ca 0.00 0.18 0.11 0.00 0.11 0.00 0.00 57.88 58.28 3ikm h LEU 792 Cb 0.00 0.48 -0.11 0.00 -0.44 0.00 0.00 40.66 40.59 3ikm h LEU 792 CO 0.00 -0.32 -0.22 -0.33 -4.11 0.00 0.00 178.44 173.46 3ikm h GLU 793 N -0.28 -0.08 0.28 0.17 4.39 -0.04 0.75 114.58 119.78 3ikm h GLU 793 Ca 0.16 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.86 3ikm h GLU 793 Cb 0.53 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 3ikm h GLU 793 CO -0.49 -0.05 -0.31 0.82 -1.16 0.00 0.00 179.01 177.81 3ikm h ILE 794 N -0.08 0.00 -0.90 3.13 2.04 0.39 -2.55 117.51 119.55 3ikm h ILE 794 Ca 0.26 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.32 3ikm h ILE 794 Cb 0.48 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.44 3ikm h ILE 794 CO -0.61 0.00 0.42 -0.55 0.00 0.00 0.00 178.15 177.41 3ikm h ASN 795 N -0.60 0.40 -0.98 1.72 -1.07 -0.76 0.65 115.58 114.95 3ikm h ASN 795 Ca -0.03 0.14 0.18 0.00 0.07 0.00 0.00 56.30 56.66 3ikm h ASN 795 Cb 0.53 0.10 -0.09 0.00 -2.07 0.00 0.00 38.32 36.78 3ikm h ASN 795 CO -0.06 0.06 0.61 0.11 0.07 0.00 0.00 177.43 178.22 3ikm h LYS 796 N 0.47 0.69 -0.54 4.14 1.57 -0.54 0.14 116.57 122.50 3ikm h LYS 796 Ca 0.55 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 59.25 3ikm h LYS 796 Cb 0.98 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 3ikm h LYS 796 CO -0.49 0.46 0.22 0.52 -0.57 0.00 0.00 179.45 179.59 3ikm h MET 797 N 0.72 0.80 0.00 3.15 2.86 0.70 -3.25 114.93 119.91 3ikm h MET 797 Ca 0.54 -0.14 -0.06 0.00 -2.06 0.00 0.00 59.70 57.97 3ikm h MET 797 Cb 0.90 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.42 3ikm h MET 797 CO -0.31 0.69 -0.85 -0.84 1.06 0.00 0.00 176.91 176.66 3ikm h ILE 798 N 0.73 0.27 -0.37 -1.22 3.07 -0.68 -3.39 117.51 115.91 3ikm h ILE 798 Ca 0.18 -1.45 0.04 0.00 1.55 0.00 0.00 64.86 65.18 3ikm h ILE 798 Cb 0.19 1.88 -0.07 0.00 -0.27 0.00 0.00 36.82 38.54 3ikm h ILE 798 CO -0.02 0.15 -0.49 0.28 -1.05 0.00 0.00 178.15 177.02 3ikm h SER 799 N 0.00 -1.66 -0.95 2.16 0.02 -0.87 0.19 113.55 112.44 3ikm h SER 799 Ca -0.04 0.22 0.29 0.00 -0.84 0.00 0.00 61.79 61.41 3ikm h SER 799 Cb 1.22 0.68 -0.15 0.00 0.14 0.00 0.00 62.40 64.28 3ikm h SER 799 CO 0.02 -0.35 0.36 -0.26 -1.14 0.00 0.00 176.83 175.45 3ikm h PHE 800 N -0.34 0.55 -0.11 3.45 0.04 -1.77 -0.11 116.94 118.65 3ikm h PHE 800 Ca 0.07 0.05 -0.19 0.00 2.80 0.00 0.00 57.97 60.70 3ikm h PHE 800 Cb 0.52 -0.09 -0.00 0.00 2.20 0.00 0.00 35.95 38.58 3ikm h PHE 800 CO -0.72 -0.26 -0.71 2.35 -0.60 0.00 0.00 178.31 178.36 3ikm h TRP 801 N 0.19 0.66 0.00 -0.55 2.91 -0.94 -2.94 115.95 115.29 3ikm h TRP 801 Ca 0.66 -0.28 0.00 0.00 1.13 0.00 0.00 58.89 60.39 3ikm h TRP 801 Cb 1.45 -0.10 0.00 0.00 -0.51 0.00 0.00 29.16 30.00 3ikm h TRP 801 CO -0.18 1.05 0.00 0.54 -1.03 0.00 0.00 178.44 178.82 3ikm n ARG 802 N -3.87 0.00 0.03 2.65 1.74 -0.05 0.28 116.66 117.44 3ikm n ARG 802 Ca -0.05 0.67 -0.11 0.00 -0.77 0.00 0.00 57.85 57.60 3ikm n ARG 802 Cb 0.70 -1.15 -0.05 0.00 -1.02 0.00 0.00 32.46 30.94 3ikm n ARG 802 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 3ikm h ASN 803 N 0.00 -0.29 -0.47 0.55 2.35 -1.72 -2.17 115.58 113.84 3ikm h ASN 803 Ca 0.00 0.05 0.10 0.00 -0.55 0.00 0.00 56.30 55.90 3ikm h ASN 803 Cb 0.00 0.13 -0.09 0.00 0.05 0.00 0.00 38.32 38.41 3ikm h ASN 803 CO 0.00 -0.14 -0.15 0.00 -1.65 0.00 0.00 177.43 175.49 3ikm h ALA 804 N 0.86 0.25 -1.13 -0.83 0.00 -1.27 -3.00 119.26 114.15 3ikm h ALA 804 Ca 0.05 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3ikm h ALA 804 Cb 0.22 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3ikm h ALA 804 CO -0.13 -0.48 0.00 1.58 0.00 0.00 0.00 179.25 180.22 3ikm n HIS 805 N -5.37 0.00 -0.18 0.00 -0.00 0.80 -0.80 115.22 109.66 3ikm n HIS 805 Ca 0.04 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.70 3ikm n HIS 805 Cb 0.28 -0.06 -0.05 0.00 -0.00 0.00 0.00 29.99 30.16 3ikm n HIS 805 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 3ikm h LYS 806 N 0.00 -0.05 -1.05 1.57 1.57 -1.51 0.92 116.57 118.03 3ikm h LYS 806 Ca 0.00 0.00 0.27 0.00 -1.87 0.00 0.00 60.65 59.05 3ikm h LYS 806 Cb 0.00 0.01 -0.10 0.00 0.08 0.00 0.00 32.23 32.22 3ikm h LYS 806 CO 0.00 -0.03 0.67 0.00 -0.57 0.00 0.00 179.45 179.51 3ikm h ARG 807 N -0.05 0.40 0.04 3.15 3.08 -1.39 -1.53 114.38 118.08 3ikm h ARG 807 Ca 0.07 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 3ikm h ARG 807 Cb 0.23 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3ikm h ARG 807 CO -0.43 0.26 -0.02 0.82 -1.07 0.00 0.00 179.97 179.53 3ikm h ILE 808 N 0.41 0.00 -1.50 2.04 2.04 0.12 -3.22 117.51 117.40 3ikm h ILE 808 Ca 0.61 -0.04 0.49 0.00 1.00 0.00 0.00 64.86 66.92 3ikm h ILE 808 Cb 1.51 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.47 3ikm h ILE 808 CO -0.33 0.00 1.00 0.28 0.00 0.00 0.00 178.15 179.10 3ikm h SER 809 N -0.10 0.16 -0.90 1.72 0.02 -0.92 -2.48 113.55 111.07 3ikm h SER 809 Ca -0.01 0.12 0.07 0.00 -0.84 0.00 0.00 61.79 61.14 3ikm h SER 809 Cb 0.04 0.12 -0.07 0.00 0.14 0.00 0.00 62.40 62.63 3ikm h SER 809 CO 0.01 -0.19 0.56 0.77 -1.14 0.00 0.00 176.83 176.84 3ikm h SER 810 N 0.02 0.86 -0.07 3.07 4.64 -1.29 -3.16 113.55 117.62 3ikm h SER 810 Ca 0.88 0.02 0.02 0.00 -0.47 0.00 0.00 61.79 62.24 3ikm h SER 810 Cb 2.99 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 64.92 3ikm h SER 810 CO -0.36 0.53 0.61 0.06 -0.87 0.00 0.00 176.83 176.80 3ikm h GLN 811 N 0.98 0.00 0.00 4.77 -0.00 -1.54 -3.46 115.11 115.87 3ikm h GLN 811 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.05 3ikm h GLN 811 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.71 3ikm h GLN 811 CO -0.19 0.00 0.00 -0.12 -0.00 0.00 0.00 178.83 178.52 3ikm n MET 812 N -2.83 0.00 0.00 0.06 0.00 -1.20 -4.91 117.12 108.24 3ikm n MET 812 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.70 3ikm n MET 812 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.88 3ikm n MET 812 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 175.97 177.52 3ikm n VAL 813 N 0.00 0.00 -4.19 1.12 3.14 -1.26 -4.80 118.33 112.33 3ikm n VAL 813 Ca 0.00 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.26 3ikm n VAL 813 Cb 0.00 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 32.68 3ikm n VAL 813 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 3ikm s VAL 814 N -2.00 0.82 0.04 1.55 -7.23 -1.19 -4.96 120.40 107.42 3ikm s VAL 814 Ca 0.00 -1.97 -0.01 0.00 -1.81 0.00 0.00 61.98 58.19 3ikm s VAL 814 Cb 0.00 -1.73 -0.03 0.00 0.56 0.00 0.00 36.38 35.19 3ikm s VAL 814 CO 0.00 -0.84 -0.02 0.26 -0.31 0.00 0.00 175.10 174.19 3ikm s TRP 815 N -3.54 0.37 -0.25 2.82 0.52 -1.26 0.49 118.94 118.08 3ikm s TRP 815 Ca 0.13 -0.78 -0.22 0.00 0.02 0.00 0.00 56.10 55.25 3ikm s TRP 815 Cb 0.05 -0.28 -0.01 0.00 -1.15 0.00 0.00 33.47 32.08 3ikm s TRP 815 CO -0.03 -0.30 0.73 -0.51 0.02 0.00 0.00 176.95 176.86 3ikm s LEU 816 N -2.21 4.07 -0.17 2.99 1.43 -1.25 -4.03 118.68 119.51 3ikm s LEU 816 Ca -0.04 0.85 -0.19 0.00 -1.03 0.00 0.00 54.13 53.72 3ikm s LEU 816 Cb -0.01 -3.01 -0.16 0.00 0.03 0.00 0.00 46.19 43.04 3ikm s LEU 816 CO -0.06 -0.45 0.23 1.55 0.23 0.00 0.00 176.35 177.85 3ikm h PRO 817 N 7.82 0.00 0.00 1.29 0.13 -1.99 -3.37 132.00 135.87 3ikm h PRO 817 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3ikm h PRO 817 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3ikm h PRO 817 CO 0.82 0.73 0.00 -2.13 -0.23 0.00 0.00 178.00 177.19 3ikm n ARG 818 N -4.53 0.00 -1.43 0.86 3.00 -1.26 -4.93 116.66 108.37 3ikm n ARG 818 Ca -0.21 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.33 3ikm n ARG 818 Cb 0.51 -0.12 -0.06 0.00 0.00 0.00 0.00 32.46 32.79 3ikm n ARG 818 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 3ikm n SER 819 N -1.06 7.50 -0.14 6.15 7.64 -1.26 -4.85 113.62 127.60 3ikm n SER 819 Ca 0.00 -2.78 0.00 0.00 1.01 0.00 0.00 58.87 57.10 3ikm n SER 819 Cb 0.00 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 61.77 3ikm n SER 819 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ikm n ALA 820 N 2.51 0.00 -1.50 -0.43 0.00 -1.26 -4.97 120.51 114.86 3ikm n ALA 820 Ca 0.63 0.00 -0.49 0.00 0.00 0.00 0.00 53.44 53.58 3ikm n ALA 820 Cb 0.43 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.82 3ikm n ALA 820 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3ikm n LEU 821 N 0.00 2.47 0.00 0.00 -0.00 -1.26 -4.93 117.00 113.28 3ikm n LEU 821 Ca 0.00 0.39 0.00 0.00 -0.00 0.00 0.00 56.01 56.40 3ikm n LEU 821 Cb 0.00 -1.34 0.00 0.00 -0.00 0.00 0.00 43.42 42.08 3ikm n LEU 821 CO 0.00 -0.69 0.00 -2.65 -0.00 0.00 0.00 177.39 174.05 3ikm n PRO 822 N 8.25 1.02 -1.00 1.47 -0.02 -1.26 -3.60 135.00 139.85 3ikm n PRO 822 Ca 0.37 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.85 3ikm n PRO 822 Cb 0.29 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 33.77 3ikm n PRO 822 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3ikm n ARG 823 N -0.04 -0.05 -0.87 -0.52 0.63 -1.26 -2.19 116.66 112.36 3ikm n ARG 823 Ca 0.00 0.09 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 3ikm n ARG 823 Cb 0.00 -3.21 0.00 0.00 0.45 0.00 0.00 32.46 29.70 3ikm n ARG 823 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3ikm n ALA 824 N 1.00 0.00 -0.07 5.13 0.00 -1.26 -4.69 120.51 120.62 3ikm n ALA 824 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3ikm n ALA 824 Cb 0.01 -0.88 -0.01 0.00 0.00 0.00 0.00 19.45 18.57 3ikm n ALA 824 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3ikm h VAL 825 N 0.00 0.96 -0.97 0.00 2.07 -1.69 1.37 116.25 117.99 3ikm h VAL 825 Ca 0.00 -0.08 0.25 0.00 0.82 0.00 0.00 66.70 67.69 3ikm h VAL 825 Cb 0.41 0.69 -0.13 0.00 -1.52 0.00 0.00 31.29 30.74 3ikm h VAL 825 CO 0.00 0.05 0.52 0.16 0.02 0.00 0.00 177.57 178.32 3ikm h ILE 826 N 0.25 0.47 0.70 4.57 3.07 -1.64 -3.11 117.51 121.81 3ikm h ILE 826 Ca 0.12 -0.16 -0.03 0.00 1.55 0.00 0.00 64.86 66.33 3ikm h ILE 826 Cb 0.06 -0.05 0.01 0.00 -0.27 0.00 0.00 36.82 36.57 3ikm h ILE 826 CO -0.10 0.09 -0.33 -0.09 -1.05 0.00 0.00 178.15 176.66 3ikm h ARG 827 N 0.47 -0.90 -0.59 0.16 9.65 0.14 -3.36 114.38 119.95 3ikm h ARG 827 Ca 0.64 0.06 0.09 0.00 -1.10 0.00 0.00 59.98 59.67 3ikm h ARG 827 Cb 1.26 0.20 -0.07 0.00 -1.39 0.00 0.00 29.97 29.98 3ikm h ARG 827 CO -0.52 -0.60 0.20 1.25 2.80 0.00 0.00 179.97 183.10 3ikm h HIS 828 N -1.06 0.35 -1.31 2.20 2.76 -0.94 -2.93 115.15 114.21 3ikm h HIS 828 Ca -0.10 0.03 0.38 0.00 -2.20 0.00 0.00 60.37 58.49 3ikm h HIS 828 Cb 0.72 -0.07 -0.05 0.00 1.55 0.00 0.00 27.41 29.56 3ikm h HIS 828 CO 0.04 0.07 1.02 -1.35 -1.30 0.00 0.00 177.93 176.42 3ikm h PRO 829 N 0.37 0.00 0.00 5.26 0.11 -1.70 -3.47 132.00 132.57 3ikm h PRO 829 Ca 0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.41 3ikm h PRO 829 Cb 0.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.49 3ikm h PRO 829 CO -0.32 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.22 3ikm n ASP 830 N -3.94 -0.48 -3.32 -2.05 10.43 -1.11 -4.78 116.55 111.29 3ikm n ASP 830 Ca 0.29 0.00 0.03 0.00 2.57 0.00 0.00 54.79 57.68 3ikm n ASP 830 Cb 1.44 0.59 -0.05 0.00 1.84 0.00 0.00 41.12 44.95 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 -1.89 -0.18 0.15 1.24 1.13 -1.26 -4.84 117.35 111.70 3ikm s TYR 831 Ca 0.00 0.33 -0.27 0.00 -1.41 0.00 0.00 57.07 55.72 3ikm s TYR 831 Cb 0.00 0.11 -0.01 0.00 -1.10 0.00 0.00 41.96 40.96 3ikm s TYR 831 CO 0.00 -0.09 1.57 -0.44 -2.51 0.00 0.00 175.55 174.08 3ikm h ASP 832 N 6.70 -1.42 0.00 -0.18 3.32 -1.99 -3.45 116.42 119.40 3ikm h ASP 832 Ca -0.17 0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3ikm h ASP 832 Cb 1.13 0.62 0.00 0.00 0.22 0.00 0.00 39.33 41.30 3ikm h ASP 832 CO 0.10 -0.37 0.00 -0.62 -1.72 0.00 0.00 179.24 176.63 3ikm n GLU 833 N -5.41 0.00 -0.06 3.56 1.02 -1.26 -4.78 120.64 113.70 3ikm n GLU 833 Ca -0.01 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.16 3ikm n GLU 833 Cb 0.35 -1.31 0.06 0.00 -0.02 0.00 0.00 31.44 30.52 3ikm n GLU 833 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3ikm n GLU 834 N -2.00 2.06 -3.93 3.49 1.02 -1.26 -5.01 120.64 115.01 3ikm n GLU 834 Ca 0.00 -1.52 -0.24 0.00 -0.02 0.00 0.00 57.16 55.38 3ikm n GLU 834 Cb 0.00 -1.13 -0.05 0.00 -0.02 0.00 0.00 31.44 30.25 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 -0.85 2.31 -0.11 0.62 0.00 -1.26 -5.09 107.32 102.93 3ikm s GLY 835 Ca 0.10 -1.80 -0.07 0.00 0.00 0.00 0.00 44.72 42.95 3ikm s GLY 835 CO 0.08 -1.87 0.15 1.08 0.00 0.00 0.00 173.10 172.54 3ikm s LEU 836 N -4.05 4.39 -0.14 0.66 1.43 -1.26 -4.87 118.68 114.84 3ikm s LEU 836 Ca 0.40 0.49 0.15 0.00 -1.03 0.00 0.00 54.13 54.14 3ikm s LEU 836 Cb 0.00 -2.10 0.33 0.00 0.03 0.00 0.00 46.19 44.46 3ikm s LEU 836 CO 0.23 0.41 1.17 -1.22 0.23 0.00 0.00 176.35 177.16 3ikm n TYR 837 N 1.97 0.00 -1.82 0.29 0.53 -1.26 0.13 117.16 117.00 3ikm n TYR 837 Ca -0.20 -1.07 -0.28 0.00 -1.02 0.00 0.00 57.90 55.33 3ikm n TYR 837 Cb 0.55 -0.18 0.20 0.00 -1.03 0.00 0.00 39.34 38.87 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 -0.99 -1.56 3.11 2.72 0.00 -1.26 -3.84 105.19 103.37 3ikm n GLY 838 Ca 0.15 -1.70 -0.10 0.00 0.00 0.00 0.00 46.02 44.37 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 -3.92 -0.18 0.05 4.61 0.00 0.18 -4.26 121.76 118.23 3ikm s ALA 839 Ca 0.71 -0.36 0.04 0.00 0.00 0.00 0.00 51.96 52.34 3ikm s ALA 839 Cb -0.02 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 3ikm s ALA 839 CO 0.50 -0.26 -0.03 0.42 0.00 0.00 0.00 175.76 176.39 3ikm s ILE 840 N -2.00 3.89 -0.08 0.00 1.01 -1.17 -3.14 121.20 119.70 3ikm s ILE 840 Ca -0.10 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 59.70 3ikm s ILE 840 Cb -0.05 -2.78 0.01 0.00 0.01 0.00 0.00 42.46 39.66 3ikm s ILE 840 CO -0.02 0.25 -0.13 -0.76 0.00 0.00 0.00 174.94 174.29 3ikm s LEU 841 N -1.89 1.63 -0.11 2.97 1.43 -1.26 -3.97 118.68 117.48 3ikm s LEU 841 Ca 0.22 -0.33 -0.08 0.00 -1.03 0.00 0.00 54.13 52.91 3ikm s LEU 841 Cb -0.11 -0.90 -0.04 0.00 0.03 0.00 0.00 46.19 45.17 3ikm s LEU 841 CO 0.13 0.02 0.17 -2.16 0.23 0.00 0.00 176.35 174.74 3ikm s PRO 842 N 0.81 3.50 -0.44 1.29 0.05 -1.26 -5.00 135.00 133.96 3ikm s PRO 842 Ca -0.11 -0.08 -0.28 0.00 0.05 0.00 0.00 61.00 60.58 3ikm s PRO 842 Cb -0.15 -3.20 -0.02 0.00 0.05 0.00 0.00 34.50 31.17 3ikm s PRO 842 CO 0.02 0.76 1.88 1.14 0.05 0.00 0.00 177.00 180.86 3ikm s GLN 843 N -1.01 2.98 -0.57 4.56 0.00 -1.26 -4.89 119.66 119.47 3ikm s GLN 843 Ca 0.16 1.17 -0.19 0.00 -0.00 0.00 0.00 55.36 56.50 3ikm s GLN 843 Cb -0.12 -4.30 0.10 0.00 0.00 0.00 0.00 33.01 28.68 3ikm s GLN 843 CO 0.05 -2.28 0.67 0.54 0.00 0.00 0.00 175.29 174.26 3ikm s VAL 844 N 8.13 4.87 -0.20 3.63 0.11 -1.26 -3.96 120.40 131.71 3ikm s VAL 844 Ca 0.78 -0.96 -0.32 0.00 -2.93 0.00 0.00 61.98 58.55 3ikm s VAL 844 Cb -0.19 -4.44 -0.09 0.00 -1.53 0.00 0.00 36.38 30.13 3ikm s VAL 844 CO 0.29 -1.04 2.11 0.52 -3.33 0.00 0.00 175.10 173.65 3ikm n VAL 845 N 5.53 0.40 -1.70 2.04 0.31 -1.21 -4.69 118.33 119.00 3ikm n VAL 845 Ca -0.09 -0.30 -0.43 0.00 -0.01 0.00 0.00 64.34 63.51 3ikm n VAL 845 Cb 0.43 -2.14 -0.02 0.00 -0.91 0.00 0.00 33.84 31.20 3ikm n VAL 845 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3ikm n THR 846 N 6.80 1.35 0.00 2.52 -2.24 -1.26 -4.02 114.28 117.43 3ikm n THR 846 Ca 0.30 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 3ikm n THR 846 Cb 0.35 -1.64 0.00 0.00 -2.10 0.00 0.00 70.33 66.94 3ikm n THR 846 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ikm n ALA 847 N 1.40 0.00 -0.98 6.98 0.00 -1.23 -4.26 120.51 122.42 3ikm n ALA 847 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.65 3ikm n ALA 847 Cb 0.34 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.75 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 -2.49 1.17 0.00 0.00 -1.25 -3.39 105.19 99.22 3ikm n GLY 848 Ca 0.00 -1.22 0.14 0.00 0.00 0.00 0.00 46.02 44.94 3ikm n GLY 848 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ikm n THR 849 N -3.71 -0.62 0.16 2.61 -1.04 -1.26 -1.49 114.28 108.93 3ikm n THR 849 Ca -0.03 0.70 0.11 0.00 -2.04 0.00 0.00 64.05 62.80 3ikm n THR 849 Cb 0.46 -1.09 -0.01 0.00 -1.82 0.00 0.00 70.33 67.87 3ikm n THR 849 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 3ikm n ILE 850 N -3.91 0.49 0.19 12.58 -0.00 -1.26 -3.32 119.36 124.13 3ikm n ILE 850 Ca -0.07 -0.50 0.09 0.00 -0.00 0.00 0.00 62.75 62.28 3ikm n ILE 850 Cb 0.55 -0.24 0.12 0.00 -0.00 0.00 0.00 39.64 40.07 3ikm n ILE 850 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.55 177.29 3ikm h THR 851 N 0.00 0.22 0.00 7.28 2.02 -1.95 -3.46 112.91 117.03 3ikm h THR 851 Ca 0.00 -1.32 0.00 0.00 0.77 0.00 0.00 66.41 65.86 3ikm h THR 851 Cb 0.96 2.07 0.00 0.00 -1.74 0.00 0.00 68.15 69.44 3ikm h THR 851 CO 0.00 0.13 0.00 0.54 0.37 0.00 0.00 175.52 176.56 3ikm n ARG 852 N -3.10 0.00 -0.20 6.66 1.74 -0.56 -4.52 116.66 116.69 3ikm n ARG 852 Ca 0.03 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.03 3ikm n ARG 852 Cb 0.59 -2.04 -0.02 0.00 -1.02 0.00 0.00 32.46 29.97 3ikm n ARG 852 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3ikm h ARG 853 N 3.29 -0.21 0.00 5.56 9.65 -1.69 -3.27 114.38 127.72 3ikm h ARG 853 Ca 0.00 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 3ikm h ARG 853 Cb 0.00 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.63 3ikm h ARG 853 CO 0.00 -0.14 0.00 0.00 2.80 0.00 0.00 179.97 182.63 3ikm n ALA 854 N -3.15 0.00 -3.05 2.80 0.00 -1.22 -4.87 120.51 111.03 3ikm n ALA 854 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.28 3ikm n ALA 854 Cb 0.35 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.77 3ikm n ALA 854 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3ikm n VAL 855 N -0.21 -0.50 -3.49 0.00 0.31 -1.26 -4.52 118.33 108.66 3ikm n VAL 855 Ca 0.00 -2.92 -0.27 0.00 -0.01 0.00 0.00 64.34 61.14 3ikm n VAL 855 Cb 0.00 -0.63 -0.13 0.00 -0.91 0.00 0.00 33.84 32.17 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 -0.27 0.35 0.00 5.55 2.02 -1.25 -3.28 118.70 121.82 3ikm s GLU 856 Ca 0.33 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.54 3ikm s GLU 856 Cb 0.16 -1.12 0.00 0.00 0.10 0.00 0.00 34.13 33.26 3ikm s GLU 856 CO -0.16 -1.10 0.93 -2.30 0.02 0.00 0.00 175.26 172.65 3ikm n PRO 857 N 4.77 0.00 -0.08 0.39 -0.02 -1.26 -1.42 135.00 137.38 3ikm n PRO 857 Ca 0.02 0.72 -0.07 0.00 -2.02 0.00 0.00 63.50 62.14 3ikm n PRO 857 Cb 0.41 -1.43 -0.05 0.00 -0.02 0.00 0.00 33.50 32.41 3ikm n PRO 857 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3ikm h THR 858 N 0.00 0.00 0.00 3.45 1.35 -1.95 -2.87 112.91 112.89 3ikm h THR 858 Ca 0.00 0.00 -0.12 0.00 -0.55 0.00 0.00 66.41 65.74 3ikm h THR 858 Cb 0.00 0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 66.40 3ikm h THR 858 CO 0.00 0.00 -0.55 -0.50 -0.25 0.00 0.00 175.52 174.22 3ikm h TRP 859 N -0.20 0.00 -0.47 4.73 4.06 -1.99 -3.02 115.95 119.07 3ikm h TRP 859 Ca 0.04 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.98 3ikm h TRP 859 Cb 0.30 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.46 3ikm h TRP 859 CO -0.68 0.55 0.01 1.28 -3.56 0.00 0.00 178.44 176.03 3ikm n LEU 860 N -3.28 4.87 -0.67 -4.49 4.77 -0.51 -3.55 117.00 114.14 3ikm n LEU 860 Ca 0.01 -2.48 0.06 0.00 -0.03 0.00 0.00 56.01 53.58 3ikm n LEU 860 Cb 0.73 -0.65 0.18 0.00 -2.33 0.00 0.00 43.42 41.35 3ikm n LEU 860 CO 0.41 0.56 0.34 0.41 -1.33 0.00 0.00 177.39 177.78 3ikm n THR 861 N 0.49 1.88 -1.65 -5.08 -1.04 -1.08 -4.63 114.28 103.16 3ikm n THR 861 Ca 0.23 -2.85 -0.40 0.00 -2.04 0.00 0.00 64.05 58.99 3ikm n THR 861 Cb 1.03 -0.07 0.03 0.00 -1.82 0.00 0.00 70.33 69.50 3ikm n THR 861 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ikm n ALA 862 N -0.93 0.63 -3.00 2.41 0.00 -1.23 -5.00 120.51 113.39 3ikm n ALA 862 Ca 0.17 0.14 -0.11 0.00 0.00 0.00 0.00 53.44 53.64 3ikm n ALA 862 Cb 0.74 -2.17 -0.06 0.00 0.00 0.00 0.00 19.45 17.96 3ikm n ALA 862 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3ikm s SER 863 N -0.90 -0.20 0.00 0.00 0.01 -1.26 -5.08 113.70 106.28 3ikm s SER 863 Ca 0.68 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.71 3ikm s SER 863 Cb -0.47 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.18 3ikm s SER 863 CO 0.52 -0.75 0.00 0.59 0.41 0.00 0.00 173.24 174.02 3ikm n ASN 864 N 0.13 0.00 -3.02 2.44 4.13 -1.26 -4.62 115.26 113.06 3ikm n ASN 864 Ca -0.17 0.00 -0.16 0.00 1.68 0.00 0.00 54.58 55.93 3ikm n ASN 864 Cb 0.62 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.85 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 0.94 0.12 5.41 0.00 -1.26 -4.23 120.51 118.49 3ikm n ALA 865 Ca 0.00 -2.64 -0.13 0.00 0.00 0.00 0.00 53.44 50.67 3ikm n ALA 865 Cb 0.00 -1.02 -0.08 0.00 0.00 0.00 0.00 19.45 18.35 3ikm n ALA 865 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3ikm h ARG 866 N 3.54 -0.31 -4.38 0.00 1.12 -1.92 -3.20 114.38 109.24 3ikm h ARG 866 Ca 0.00 0.02 -0.74 0.00 -1.11 0.00 0.00 59.98 58.15 3ikm h ARG 866 Cb 0.98 0.07 -0.17 0.00 -0.01 0.00 0.00 29.97 30.84 3ikm h ARG 866 CO 0.39 0.03 1.61 -2.30 -3.11 0.00 0.00 179.97 176.59 3ikm n PRO 867 N -5.07 3.44 -1.16 0.20 -0.02 -1.26 -4.98 135.00 126.15 3ikm n PRO 867 Ca -0.09 -3.72 -0.37 0.00 -2.02 0.00 0.00 63.50 57.30 3ikm n PRO 867 Cb 0.25 -3.02 0.02 0.00 -0.02 0.00 0.00 33.50 30.73 3ikm n PRO 867 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3ikm n ASP 868 N 5.15 -4.06 0.00 2.55 10.43 -1.21 -4.81 116.55 124.59 3ikm n ASP 868 Ca 0.38 0.54 0.00 0.00 2.57 0.00 0.00 54.79 58.28 3ikm n ASP 868 Cb 0.41 -0.81 0.00 0.00 1.84 0.00 0.00 41.12 42.56 3ikm n ASP 868 CO 0.00 0.00 0.00 -1.14 -1.07 0.00 0.00 177.20 174.99 3ikm n ARG 869 N 1.67 0.00 -1.45 -1.24 0.63 -1.26 -4.37 116.66 110.63 3ikm n ARG 869 Ca 0.06 0.00 -0.49 0.00 -0.92 0.00 0.00 57.85 56.50 3ikm n ARG 869 Cb 0.48 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.35 3ikm n ARG 869 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 3ikm n VAL 870 N -1.86 1.69 -0.39 5.15 0.31 0.28 0.40 118.33 123.91 3ikm n VAL 870 Ca 0.00 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 3ikm n VAL 870 Cb 0.00 -0.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.72 3ikm n VAL 870 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ikm n GLY 871 N 1.82 0.00 2.07 2.92 0.00 -1.26 -4.38 105.19 106.36 3ikm n GLY 871 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 3ikm n GLY 871 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ikm n SER 872 N 0.63 3.93 -0.62 1.61 7.64 1.31 -4.23 113.62 123.89 3ikm n SER 872 Ca 0.00 -2.21 0.00 0.00 1.01 0.00 0.00 58.87 57.67 3ikm n SER 872 Cb 0.15 -1.04 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 3ikm n SER 872 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3ikm n GLU 873 N 2.52 0.00 -0.27 1.43 -0.58 -1.26 -3.45 120.64 119.03 3ikm n GLU 873 Ca 0.29 0.45 0.06 0.00 -0.42 0.00 0.00 57.16 57.54 3ikm n GLU 873 Cb 0.66 -0.17 0.19 0.00 -0.57 0.00 0.00 31.44 31.55 3ikm n GLU 873 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3ikm n LEU 874 N 0.00 2.53 -0.32 -4.62 4.32 -1.26 -4.49 117.00 113.16 3ikm n LEU 874 Ca 0.00 -1.27 0.09 0.00 -0.02 0.00 0.00 56.01 54.81 3ikm n LEU 874 Cb 0.00 -0.35 0.20 0.00 -1.62 0.00 0.00 43.42 41.65 3ikm n LEU 874 CO 0.00 0.53 0.77 0.11 -1.22 0.00 0.00 177.39 177.58 3ikm h LYS 875 N 2.39 0.03 0.16 3.23 1.57 -1.89 -1.55 116.57 120.50 3ikm h LYS 875 Ca 0.00 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3ikm h LYS 875 Cb 0.72 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 3ikm h LYS 875 CO 0.06 0.02 -0.12 0.00 -0.57 0.00 0.00 179.45 178.84 3ikm h ALA 876 N 1.89 -0.91 -0.93 3.86 0.00 -1.79 -1.37 119.26 120.01 3ikm h ALA 876 Ca 0.50 -0.05 0.38 0.00 0.00 0.00 0.00 54.91 55.73 3ikm h ALA 876 Cb 0.91 0.31 -0.15 0.00 0.00 0.00 0.00 17.79 18.87 3ikm h ALA 876 CO -0.87 -0.91 0.53 -0.12 0.00 0.00 0.00 179.25 177.88 3ikm n MET 877 N -3.03 -0.05 -0.27 0.00 1.56 -0.64 -1.78 117.12 112.91 3ikm n MET 877 Ca -0.03 1.19 -0.07 0.00 -0.27 0.00 0.00 57.70 58.51 3ikm n MET 877 Cb 0.12 -2.16 -0.07 0.00 2.15 0.00 0.00 33.22 33.26 3ikm n MET 877 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 3ikm n VAL 878 N -4.88 -0.44 -4.80 1.12 0.31 -0.52 -4.31 118.33 104.80 3ikm n VAL 878 Ca 0.34 1.62 -0.32 0.00 -0.01 0.00 0.00 64.34 65.97 3ikm n VAL 878 Cb 1.17 -2.01 -0.13 0.00 -0.91 0.00 0.00 33.84 31.96 3ikm n VAL 878 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3ikm s GLN 879 N -5.25 2.33 0.00 5.55 -1.52 -0.73 0.27 119.66 120.31 3ikm s GLN 879 Ca -0.08 -0.81 0.00 0.00 -1.95 0.00 0.00 55.36 52.52 3ikm s GLN 879 Cb 0.07 -2.30 0.00 0.00 -0.22 0.00 0.00 33.01 30.56 3ikm s GLN 879 CO 0.41 0.59 0.23 0.00 -0.25 0.00 0.00 175.29 176.26 3ikm n ALA 880 N 1.99 0.94 -1.67 6.09 0.00 -1.25 -4.25 120.51 122.37 3ikm n ALA 880 Ca -0.17 0.00 -0.48 0.00 0.00 0.00 0.00 53.44 52.79 3ikm n ALA 880 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.92 3ikm n ALA 880 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3ikm n PRO 881 N 0.00 1.96 -0.20 0.00 -0.02 -1.26 -4.88 135.00 130.61 3ikm n PRO 881 Ca 0.00 0.71 -0.05 0.00 -2.02 0.00 0.00 63.50 62.14 3ikm n PRO 881 Cb 0.25 -2.49 -0.05 0.00 -0.02 0.00 0.00 33.50 31.19 3ikm n PRO 881 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3ikm n PRO 882 N 4.63 -0.21 0.00 0.52 -0.02 -1.26 -0.85 135.00 137.81 3ikm n PRO 882 Ca 0.20 1.16 0.06 0.00 -2.02 0.00 0.00 63.50 62.91 3ikm n PRO 882 Cb 0.27 -1.73 0.38 0.00 -0.02 0.00 0.00 33.50 32.40 3ikm n PRO 882 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ikm n GLY 883 N -1.12 -0.64 2.98 -1.23 0.00 -1.26 -4.72 105.19 99.21 3ikm n GLY 883 Ca 0.01 -0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 3ikm n GLY 883 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ikm n TYR 884 N -0.82 0.81 -3.47 1.61 4.02 -0.03 -3.00 117.16 116.28 3ikm n TYR 884 Ca 0.10 -2.10 -0.10 0.00 -0.01 0.00 0.00 57.90 55.78 3ikm n TYR 884 Cb 0.04 -0.23 -0.02 0.00 -0.02 0.00 0.00 39.34 39.12 3ikm n TYR 884 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 3ikm s THR 885 N -2.58 0.00 -0.26 -0.72 -4.23 -0.65 -4.78 115.64 102.42 3ikm s THR 885 Ca 0.03 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.55 3ikm s THR 885 Cb 0.00 -1.00 0.04 0.00 1.34 0.00 0.00 72.50 72.89 3ikm s THR 885 CO 0.02 0.00 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.26 3ikm s LEU 886 N -2.58 3.35 0.02 4.79 1.43 -0.70 -1.07 118.68 123.92 3ikm s LEU 886 Ca 0.03 -1.15 -0.25 0.00 -1.03 0.00 0.00 54.13 51.73 3ikm s LEU 886 Cb -0.01 -1.61 -0.05 0.00 0.03 0.00 0.00 46.19 44.55 3ikm s LEU 886 CO -0.11 -0.17 0.77 -0.69 0.23 0.00 0.00 176.35 176.38 3ikm s VAL 887 N 1.22 4.81 0.06 -1.59 1.01 0.63 -3.48 120.40 123.06 3ikm s VAL 887 Ca -0.04 1.62 -0.16 0.00 0.00 0.00 0.00 61.98 63.40 3ikm s VAL 887 Cb -0.18 -4.11 0.05 0.00 0.00 0.00 0.00 36.38 32.14 3ikm s VAL 887 CO -0.05 0.32 0.74 0.61 0.00 0.00 0.00 175.10 176.73 3ikm n GLY 888 N 2.60 0.63 3.02 4.51 0.00 -0.51 0.10 105.19 115.53 3ikm n GLY 888 Ca -0.01 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.98 3ikm n GLY 888 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ikm n ALA 889 N -1.60 -2.45 -3.52 4.61 0.00 -1.23 -0.61 120.51 115.71 3ikm n ALA 889 Ca -0.08 -0.70 -0.23 0.00 0.00 0.00 0.00 53.44 52.42 3ikm n ALA 889 Cb 0.38 0.27 -0.17 0.00 0.00 0.00 0.00 19.45 19.93 3ikm n ALA 889 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ikm s ASP 890 N -3.04 1.55 -0.18 0.00 1.01 -1.26 -2.83 116.67 111.92 3ikm s ASP 890 Ca 0.21 -0.25 -0.06 0.00 0.71 0.00 0.00 52.55 53.15 3ikm s ASP 890 Cb -0.01 -0.72 -0.04 0.00 1.01 0.00 0.00 42.92 43.16 3ikm s ASP 890 CO 0.02 0.00 0.04 0.54 0.21 0.00 0.00 175.17 175.98 3ikm s VAL 891 N 0.76 4.54 -0.36 -1.27 0.11 -1.18 -4.73 120.40 118.29 3ikm s VAL 891 Ca -0.13 -0.12 -0.27 0.00 -2.93 0.00 0.00 61.98 58.53 3ikm s VAL 891 Cb -0.15 -3.04 0.02 0.00 -1.53 0.00 0.00 36.38 31.67 3ikm s VAL 891 CO 0.02 0.46 0.96 1.51 -3.33 0.00 0.00 175.10 174.73 3ikm s ASP 892 N 0.41 6.73 -1.19 3.54 1.47 -1.26 -3.58 116.67 122.79 3ikm s ASP 892 Ca 0.01 0.69 -0.05 0.00 1.18 0.00 0.00 52.55 54.38 3ikm s ASP 892 Cb -0.13 -2.48 0.01 0.00 -0.34 0.00 0.00 42.92 39.97 3ikm s ASP 892 CO 0.01 -0.87 1.02 -1.54 0.68 0.00 0.00 175.17 174.48 3ikm n SER 893 N 6.81 -4.52 -0.13 2.11 3.41 -1.26 -4.65 113.62 115.39 3ikm n SER 893 Ca 0.08 -0.52 0.27 0.00 -0.26 0.00 0.00 58.87 58.44 3ikm n SER 893 Cb 0.48 -4.68 0.72 0.00 -0.26 0.00 0.00 64.21 60.47 3ikm n SER 893 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 3ikm h GLN 894 N -2.20 0.00 0.03 4.33 3.07 -1.96 0.66 115.11 119.03 3ikm h GLN 894 Ca -0.53 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.17 3ikm h GLN 894 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.89 3ikm h GLN 894 CO 0.49 0.00 -0.18 0.93 0.09 0.00 0.00 178.83 180.16 3ikm h GLU 895 N 0.00 0.07 -0.83 0.06 5.08 -1.89 -3.19 114.58 113.88 3ikm h GLU 895 Ca 0.38 -0.12 0.04 0.00 -1.00 0.00 0.00 59.36 58.67 3ikm h GLU 895 Cb 1.62 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.86 3ikm h GLU 895 CO -0.00 1.03 0.52 -0.07 -1.00 0.00 0.00 179.01 179.49 3ikm h LEU 896 N -0.82 0.85 -0.80 1.33 -0.00 -0.20 -2.30 115.31 113.37 3ikm h LEU 896 Ca -0.03 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.79 3ikm h LEU 896 Cb 1.11 -0.18 -0.03 0.00 -0.00 0.00 0.00 40.66 41.56 3ikm h LEU 896 CO 0.03 0.58 0.16 -0.25 -0.00 0.00 0.00 178.44 178.96 3ikm h TRP 897 N 1.00 1.10 0.16 1.13 7.01 -0.53 -0.29 115.95 125.53 3ikm h TRP 897 Ca 0.34 -0.13 0.00 0.00 2.11 0.00 0.00 58.89 61.22 3ikm h TRP 897 Cb 0.05 -0.31 -0.01 0.00 -2.10 0.00 0.00 29.16 26.79 3ikm h TRP 897 CO -0.03 0.90 -0.15 -0.84 -2.79 0.00 0.00 178.44 175.54 3ikm h ILE 898 N 1.01 0.67 -0.88 2.65 3.07 -1.41 0.13 117.51 122.75 3ikm h ILE 898 Ca 0.21 0.00 0.17 0.00 1.55 0.00 0.00 64.86 66.79 3ikm h ILE 898 Cb 0.36 0.67 -0.10 0.00 -0.27 0.00 0.00 36.82 37.48 3ikm h ILE 898 CO 0.00 0.00 0.44 0.00 -1.05 0.00 0.00 178.15 177.54 3ikm h ALA 899 N 0.48 1.36 -3.00 0.16 0.00 -1.30 -2.58 119.26 114.38 3ikm h ALA 899 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3ikm h ALA 899 Cb 0.31 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3ikm h ALA 899 CO -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.05 3ikm n ALA 900 N -2.44 0.00 -0.37 0.00 0.00 0.38 -2.80 120.51 115.28 3ikm n ALA 900 Ca 0.19 0.00 0.33 0.00 0.00 0.00 0.00 53.44 53.96 3ikm n ALA 900 Cb 0.51 0.03 0.66 0.00 0.00 0.00 0.00 19.45 20.65 3ikm n ALA 900 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3ikm h VAL 901 N 0.00 0.38 -0.08 0.00 -1.51 -1.30 -1.98 116.25 111.75 3ikm h VAL 901 Ca 0.00 -0.05 0.02 0.00 -1.23 0.00 0.00 66.70 65.44 3ikm h VAL 901 Cb 0.00 0.22 -0.05 0.00 -2.13 0.00 0.00 31.29 29.33 3ikm h VAL 901 CO 0.00 0.03 -0.40 -0.07 -1.23 0.00 0.00 177.57 175.90 3ikm h LEU 902 N 0.15 -1.27 0.77 4.19 4.07 -1.30 0.97 115.31 122.89 3ikm h LEU 902 Ca 0.64 0.15 -0.03 0.00 0.08 0.00 0.00 57.88 58.71 3ikm h LEU 902 Cb 2.16 0.49 -0.00 0.00 1.08 0.00 0.00 40.66 44.39 3ikm h LEU 902 CO -0.17 -0.36 -0.46 1.23 -1.08 0.00 0.00 178.44 177.60 3ikm h GLY 903 N -0.44 -1.28 -0.53 0.83 0.00 -1.19 -2.29 103.07 98.16 3ikm h GLY 903 Ca 0.02 0.52 0.13 0.00 0.00 0.00 0.00 47.33 48.00 3ikm h GLY 903 CO -0.31 -0.44 -0.27 -0.55 0.00 0.00 0.00 176.54 174.97 3ikm h ASP 904 N -1.14 -0.96 -0.67 0.19 3.32 -1.38 1.31 116.42 117.08 3ikm h ASP 904 Ca -0.10 0.24 0.17 0.00 0.02 0.00 0.00 57.03 57.35 3ikm h ASP 904 Cb 0.91 0.54 -0.03 0.00 0.22 0.00 0.00 39.33 40.97 3ikm h ASP 904 CO 0.11 -0.28 0.47 0.00 -1.72 0.00 0.00 179.24 177.82 3ikm h ALA 905 N 1.42 2.40 -0.14 3.45 0.00 0.11 0.66 119.26 127.17 3ikm h ALA 905 Ca 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3ikm h ALA 905 Cb 0.56 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3ikm h ALA 905 CO -0.76 -0.59 0.00 0.72 0.00 0.00 0.00 179.25 178.62 3ikm n HIS 906 N -4.40 0.16 -1.56 0.00 8.25 0.40 -3.78 115.22 114.28 3ikm n HIS 906 Ca 0.13 -0.09 -0.34 0.00 -0.26 0.00 0.00 57.72 57.16 3ikm n HIS 906 Cb 0.63 -0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.78 3ikm n HIS 906 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3ikm n PHE 907 N 1.26 2.76 -0.41 4.41 3.72 0.14 -4.97 117.46 124.38 3ikm n PHE 907 Ca 0.14 -2.49 0.00 0.00 -0.05 0.00 0.00 57.45 55.05 3ikm n PHE 907 Cb 0.55 -1.29 0.00 0.00 -0.94 0.00 0.00 39.48 37.80 3ikm n PHE 907 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ikm n ALA 908 N -0.41 0.00 -1.67 4.37 0.00 -1.22 -4.77 120.51 116.81 3ikm n ALA 908 Ca 0.54 0.00 -0.53 0.00 0.00 0.00 0.00 53.44 53.45 3ikm n ALA 908 Cb 0.46 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.85 3ikm n ALA 908 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ikm n GLY 909 N 0.00 0.91 0.00 0.00 0.00 -1.26 -4.03 105.19 100.81 3ikm n GLY 909 Ca 0.00 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.84 3ikm n GLY 909 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3ikm n MET 910 N 4.65 0.00 0.24 1.61 0.00 -1.15 -3.30 117.12 119.17 3ikm n MET 910 Ca 0.22 0.03 -0.16 0.00 0.00 0.00 0.00 57.70 57.79 3ikm n MET 910 Cb 0.20 -1.51 -0.08 0.00 0.00 0.00 0.00 33.22 31.83 3ikm n MET 910 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 3ikm h HIS 911 N 0.00 -1.14 0.00 3.17 3.86 -1.87 -3.31 115.15 115.86 3ikm h HIS 911 Ca 0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3ikm h HIS 911 Cb 0.02 0.45 0.00 0.00 1.06 0.00 0.00 27.41 28.94 3ikm h HIS 911 CO 0.00 -0.57 0.00 0.41 0.86 0.00 0.00 177.93 178.63 3ikm n GLY 912 N -1.50 -1.16 0.00 2.45 0.00 -1.21 -1.67 105.19 102.10 3ikm n GLY 912 Ca -0.10 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.35 3ikm n GLY 912 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ikm n THR 914 N 0.00 1.66 0.00 0.00 -1.04 -1.26 0.54 114.28 114.18 3ikm n THR 914 Ca 0.00 -0.41 0.00 0.00 -2.04 0.00 0.00 64.05 61.60 3ikm n THR 914 Cb 0.00 -0.07 0.00 0.00 -1.82 0.00 0.00 70.33 68.44 3ikm n THR 914 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ikm n ALA 915 N 0.28 0.00 0.08 2.41 0.00 -1.26 -4.41 120.51 117.61 3ikm n ALA 915 Ca 0.18 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.64 3ikm n ALA 915 Cb 0.23 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.79 3ikm n ALA 915 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ikm n PHE 916 N -0.06 0.10 0.35 0.00 7.35 -1.24 0.46 117.46 124.41 3ikm n PHE 916 Ca 0.00 0.05 -0.17 0.00 -0.76 0.00 0.00 57.45 56.57 3ikm n PHE 916 Cb 0.00 -0.58 -0.09 0.00 0.35 0.00 0.00 39.48 39.16 3ikm n PHE 916 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 3ikm h GLY 917 N 0.30 -0.90 1.38 7.13 0.00 0.23 1.60 103.07 112.81 3ikm h GLY 917 Ca 0.00 0.33 -0.18 0.00 0.00 0.00 0.00 47.33 47.48 3ikm h GLY 917 CO 0.00 -0.33 -1.19 -0.25 0.00 0.00 0.00 176.54 174.77 3ikm h TRP 918 N -0.92 0.00 0.00 5.60 2.91 1.58 -2.35 115.95 122.77 3ikm h TRP 918 Ca -0.09 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 59.92 3ikm h TRP 918 Cb 0.68 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.33 3ikm h TRP 918 CO -0.02 0.71 -0.05 1.98 -1.03 0.00 0.00 178.44 180.02 3ikm h MET 919 N 0.00 0.00 -0.86 2.65 4.05 0.99 -3.46 114.93 118.30 3ikm h MET 919 Ca -0.13 0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.31 3ikm h MET 919 Cb 1.65 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.44 3ikm h MET 919 CO 0.07 0.05 -0.04 -2.37 0.23 0.00 0.00 176.91 174.85 3ikm n THR 920 N -3.75 0.00 -0.34 -0.77 5.66 0.54 -3.40 114.28 112.23 3ikm n THR 920 Ca -0.02 0.02 0.22 0.00 -3.05 0.00 0.00 64.05 61.22 3ikm n THR 920 Cb 0.15 -0.05 0.45 0.00 -1.55 0.00 0.00 70.33 69.34 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 -0.76 0.56 -3.44 1.09 4.07 -1.83 -3.44 115.31 111.56 3ikm h LEU 921 Ca -0.00 0.17 -0.27 0.00 0.08 0.00 0.00 57.88 57.85 3ikm h LEU 921 Cb 1.02 0.10 0.04 0.00 1.08 0.00 0.00 40.66 42.89 3ikm h LEU 921 CO 0.00 -0.05 -0.14 1.67 -1.08 0.00 0.00 178.44 178.84 3ikm n GLN 922 N -4.96 0.00 0.06 1.13 7.27 -1.22 -4.85 117.38 114.81 3ikm n GLN 922 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.37 3ikm n GLN 922 Cb 0.92 -0.43 0.00 0.00 2.41 0.00 0.00 30.24 33.13 3ikm n GLN 922 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3ikm n GLY 923 N 0.71 -1.00 3.00 1.69 0.00 -1.26 -4.64 105.19 103.69 3ikm n GLY 923 Ca 0.07 0.20 -0.10 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.78 -2.07 0.00 1.61 1.74 -1.26 -2.81 116.66 111.09 3ikm n ARG 924 Ca 0.00 1.87 0.00 0.00 -0.77 0.00 0.00 57.85 58.95 3ikm n ARG 924 Cb 0.00 -5.20 0.00 0.00 -1.02 0.00 0.00 32.46 26.24 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 -0.70 0.00 0.09 5.56 2.85 -1.26 -3.76 118.16 120.94 3ikm n LYS 925 Ca 0.06 0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.27 3ikm n LYS 925 Cb 0.50 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.86 3ikm n LYS 925 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 3ikm h SER 926 N 0.00 -0.24 -3.28 -5.58 0.87 -2.04 -3.50 113.55 99.77 3ikm h SER 926 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 3ikm h SER 926 Cb 0.00 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 3ikm h SER 926 CO 0.00 0.07 0.00 -1.14 -0.53 0.00 0.00 176.83 175.23 3ikm n ARG 927 N -4.12 -0.45 -0.10 2.24 0.63 -1.12 -4.93 116.66 108.80 3ikm n ARG 927 Ca -0.04 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.03 3ikm n ARG 927 Cb 0.11 0.00 0.52 0.00 0.45 0.00 0.00 32.46 33.54 3ikm n ARG 927 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 3ikm h GLY 928 N 0.00 0.56 1.14 5.14 0.00 -1.82 0.65 103.07 108.75 3ikm h GLY 928 Ca 0.00 -0.16 0.11 0.00 0.00 0.00 0.00 47.33 47.28 3ikm h GLY 928 CO 0.00 0.08 0.32 -0.84 0.00 0.00 0.00 176.54 176.11 3ikm h THR 929 N 0.38 0.60 0.00 4.70 2.02 -1.92 3.20 112.91 121.90 3ikm h THR 929 Ca 0.30 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.48 3ikm h THR 929 Cb 0.66 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 67.83 3ikm h THR 929 CO -0.08 0.00 -0.01 -0.78 0.37 0.00 0.00 175.52 175.02 3ikm h ASP 930 N 0.00 0.00 0.00 4.18 -0.00 0.01 1.83 116.42 122.44 3ikm h ASP 930 Ca 0.18 0.00 -0.02 0.00 -0.00 0.00 0.00 57.03 57.19 3ikm h ASP 930 Cb 0.83 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 40.15 3ikm h ASP 930 CO -0.00 0.01 -0.14 0.25 -0.00 0.00 0.00 179.24 179.36 3ikm h LEU 931 N 0.00 0.00 -0.79 2.28 6.46 0.57 -0.32 115.31 123.51 3ikm h LEU 931 Ca -0.00 -0.83 0.14 0.00 -0.12 0.00 0.00 57.88 57.07 3ikm h LEU 931 Cb 0.25 0.00 -0.09 0.00 -0.73 0.00 0.00 40.66 40.09 3ikm h LEU 931 CO 0.00 1.00 0.37 0.45 -0.62 0.00 0.00 178.44 179.63 3ikm h HIS 932 N -1.00 0.63 -0.83 1.25 3.86 -0.20 1.59 115.15 120.45 3ikm h HIS 932 Ca -0.04 0.03 0.19 0.00 -1.16 0.00 0.00 60.37 59.40 3ikm h HIS 932 Cb 0.92 -0.16 -0.05 0.00 1.06 0.00 0.00 27.41 29.18 3ikm h HIS 932 CO 0.23 0.12 0.56 1.03 0.86 0.00 0.00 177.93 180.73 3ikm h SER 933 N 0.53 0.29 -0.55 2.45 0.87 0.29 0.66 113.55 118.09 3ikm h SER 933 Ca 0.43 0.03 -0.11 0.00 -1.23 0.00 0.00 61.79 60.91 3ikm h SER 933 Cb 0.63 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.54 3ikm h SER 933 CO -0.38 0.13 -0.08 0.50 -0.53 0.00 0.00 176.83 176.47 3ikm h LYS 934 N 0.30 1.03 -0.82 2.24 3.64 0.41 0.20 116.57 123.57 3ikm h LYS 934 Ca 0.42 -0.36 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 3ikm h LYS 934 Cb 1.17 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.86 3ikm h LYS 934 CO -0.12 1.05 0.52 1.15 -2.27 0.00 0.00 179.45 179.79 3ikm h THR 935 N 0.92 1.12 0.17 1.00 2.02 0.18 -2.27 112.91 116.05 3ikm h THR 935 Ca 0.15 -0.35 -0.32 0.00 0.77 0.00 0.00 66.41 66.66 3ikm h THR 935 Cb 0.64 0.02 0.01 0.00 -1.74 0.00 0.00 68.15 67.07 3ikm h THR 935 CO 0.04 0.18 -1.57 0.00 0.37 0.00 0.00 175.52 174.55 3ikm h ALA 936 N 1.35 0.13 -0.15 6.16 0.00 -1.21 -3.36 119.26 122.17 3ikm h ALA 936 Ca 0.33 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 54.19 3ikm h ALA 936 Cb 0.02 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3ikm h ALA 936 CO -0.12 1.00 0.10 1.15 0.00 0.00 0.00 179.25 181.38 3ikm h THR 937 N 0.10 1.06 -2.81 0.00 2.02 -0.55 0.66 112.91 113.38 3ikm h THR 937 Ca -0.27 -0.13 -0.56 0.00 0.77 0.00 0.00 66.41 66.22 3ikm h THR 937 Cb 2.07 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 69.32 3ikm h THR 937 CO 0.19 0.05 1.02 0.42 0.37 0.00 0.00 175.52 177.58 3ikm s THR 938 N -6.09 3.91 0.00 3.16 -4.23 -0.86 0.40 115.64 111.93 3ikm s THR 938 Ca -0.13 1.08 0.00 0.00 -1.18 0.00 0.00 61.69 61.46 3ikm s THR 938 Cb 0.08 -3.78 0.00 0.00 1.34 0.00 0.00 72.50 70.14 3ikm s THR 938 CO 0.69 -0.19 0.00 0.52 -0.54 0.00 0.00 174.62 175.10 3ikm n VAL 939 N 5.75 0.00 0.00 2.29 0.31 -1.20 -4.70 118.33 120.78 3ikm n VAL 939 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 3ikm n VAL 939 Cb 0.44 -0.29 0.00 0.00 -0.91 0.00 0.00 33.84 33.08 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 -1.69 0.00 3.74 2.92 0.00 1.34 -4.83 105.19 106.67 3ikm n GLY 940 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3ikm n GLY 940 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ikm s ILE 941 N 0.00 0.00 0.73 -0.61 1.09 0.47 -4.87 121.20 118.01 3ikm s ILE 941 Ca 0.00 -1.16 -0.16 0.00 -1.10 0.00 0.00 60.65 58.23 3ikm s ILE 941 Cb 0.00 -2.41 -0.00 0.00 -1.06 0.00 0.00 42.46 38.99 3ikm s ILE 941 CO 0.00 0.00 0.85 -1.54 -0.10 0.00 0.00 174.94 174.15 3ikm n SER 942 N -0.87 -0.02 -0.13 3.58 3.41 -1.26 -4.35 113.62 113.98 3ikm n SER 942 Ca -0.04 0.63 -0.23 0.00 -0.26 0.00 0.00 58.87 58.97 3ikm n SER 942 Cb 0.60 -1.35 -0.10 0.00 -0.26 0.00 0.00 64.21 63.10 3ikm n SER 942 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3ikm n ARG 943 N -1.64 0.57 0.09 4.33 1.74 -1.26 -3.46 116.66 117.03 3ikm n ARG 943 Ca 0.12 0.20 0.20 0.00 -0.77 0.00 0.00 57.85 57.60 3ikm n ARG 943 Cb 0.50 -1.45 0.74 0.00 -1.02 0.00 0.00 32.46 31.23 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 -0.53 0.00 0.00 5.56 5.08 -1.97 1.82 114.58 124.55 3ikm h GLU 944 Ca -0.61 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 57.51 3ikm h GLU 944 Cb 1.69 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.90 3ikm h GLU 944 CO -0.26 0.00 -1.44 1.25 -1.00 0.00 0.00 179.01 177.56 3ikm h HIS 945 N 0.00 0.00 0.11 4.33 2.76 -1.97 -3.32 115.15 117.06 3ikm h HIS 945 Ca 0.20 0.00 -0.21 0.00 -2.20 0.00 0.00 60.37 58.16 3ikm h HIS 945 Cb 1.12 0.00 0.02 0.00 1.55 0.00 0.00 27.41 30.10 3ikm h HIS 945 CO 0.00 0.90 -0.89 0.00 -1.30 0.00 0.00 177.93 176.65 3ikm h ALA 946 N 1.10 -0.05 -0.03 5.26 0.00 0.22 -3.35 119.26 122.40 3ikm h ALA 946 Ca -0.19 -0.69 0.03 0.00 0.00 0.00 0.00 54.91 54.06 3ikm h ALA 946 Cb 1.86 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.71 3ikm h ALA 946 CO 0.08 0.44 -0.13 0.87 0.00 0.00 0.00 179.25 180.51 3ikm h LYS 947 N -0.16 -0.20 -0.80 0.00 1.57 0.13 -2.91 116.57 114.19 3ikm h LYS 947 Ca -0.14 0.01 0.14 0.00 -1.87 0.00 0.00 60.65 58.79 3ikm h LYS 947 Cb 1.65 0.05 -0.09 0.00 0.08 0.00 0.00 32.23 33.91 3ikm h LYS 947 CO 0.17 -0.13 0.38 -0.84 -0.57 0.00 0.00 179.45 178.46 3ikm h ILE 948 N -0.21 0.72 0.00 1.86 3.07 -1.73 -2.28 117.51 118.95 3ikm h ILE 948 Ca 0.06 -0.19 -0.02 0.00 1.55 0.00 0.00 64.86 66.25 3ikm h ILE 948 Cb 0.28 0.11 -0.00 0.00 -0.27 0.00 0.00 36.82 36.94 3ikm h ILE 948 CO -0.16 0.10 -0.11 -0.26 -1.05 0.00 0.00 178.15 176.68 3ikm h PHE 949 N 0.56 0.00 0.05 0.16 0.05 -1.64 0.82 116.94 116.93 3ikm h PHE 949 Ca 0.43 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 62.22 3ikm h PHE 949 Cb 0.60 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.55 3ikm h PHE 949 CO -0.12 0.11 -0.02 -0.91 -0.18 0.00 0.00 178.31 177.19 3ikm h ASN 950 N 0.00 -0.05 -0.65 2.17 2.35 -1.44 2.17 115.58 120.13 3ikm h ASN 950 Ca -0.00 -0.57 0.06 0.00 -0.55 0.00 0.00 56.30 55.24 3ikm h ASN 950 Cb 0.45 0.01 -0.09 0.00 0.05 0.00 0.00 38.32 38.75 3ikm h ASN 950 CO 0.01 0.58 -0.47 1.88 -1.65 0.00 0.00 177.43 177.78 3ikm h TYR 951 N -0.72 -1.50 -1.01 1.19 -1.99 -1.12 4.30 116.97 116.11 3ikm h TYR 951 Ca -0.01 0.09 0.26 0.00 2.00 0.00 0.00 58.73 61.08 3ikm h TYR 951 Cb 0.62 0.74 -0.13 0.00 2.00 0.00 0.00 36.73 39.96 3ikm h TYR 951 CO 0.14 -0.34 0.60 0.78 -0.00 0.00 0.00 178.16 179.34 3ikm h GLY 952 N -0.11 1.86 0.84 3.88 0.00 -0.29 0.78 103.07 110.03 3ikm h GLY 952 Ca 0.11 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 3ikm h GLY 952 CO -0.67 -0.27 0.02 3.21 0.00 0.00 0.00 176.54 178.83 3ikm h ARG 953 N 0.52 0.38 -0.99 4.80 3.08 1.94 -2.10 114.38 122.03 3ikm h ARG 953 Ca 0.66 -0.11 0.22 0.00 0.07 0.00 0.00 59.98 60.81 3ikm h ARG 953 Cb 1.33 -0.04 -0.12 0.00 0.08 0.00 0.00 29.97 31.22 3ikm h ARG 953 CO -0.48 0.54 0.57 0.82 -1.07 0.00 0.00 179.97 180.36 3ikm h ILE 954 N 0.17 0.61 0.00 2.04 2.04 1.37 -3.35 117.51 120.38 3ikm h ILE 954 Ca 0.07 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.71 3ikm h ILE 954 Cb 0.35 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 3ikm h ILE 954 CO 0.01 0.12 0.00 -1.22 0.00 0.00 0.00 178.15 177.05 3ikm n TYR 955 N -4.85 0.00 -0.01 1.37 4.02 0.06 -4.75 117.16 113.00 3ikm n TYR 955 Ca 0.25 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 58.12 3ikm n TYR 955 Cb 0.65 -0.13 -0.01 0.00 -0.02 0.00 0.00 39.34 39.83 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 0.99 -0.04 2.00 2.72 0.00 -1.14 -0.69 105.19 109.04 3ikm n GLY 956 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3ikm n GLY 956 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ikm n ALA 957 N -2.69 2.92 0.00 4.61 0.00 -1.26 -3.30 120.51 120.79 3ikm n ALA 957 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3ikm n ALA 957 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 3ikm n ALA 957 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ikm n GLY 958 N 1.42 0.82 2.44 0.00 0.00 -1.26 -5.01 105.19 103.60 3ikm n GLY 958 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.34 1.61 6.02 -1.26 -1.14 117.38 122.26 3ikm n GLN 959 Ca 0.00 0.00 0.18 0.00 -0.01 0.00 0.00 57.00 57.17 3ikm n GLN 959 Cb 0.00 0.00 0.40 0.00 1.02 0.00 0.00 30.24 31.66 3ikm n GLN 959 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 3ikm h PRO 960 N 0.00 0.55 -0.44 -1.09 0.11 -1.97 -1.72 132.00 127.44 3ikm h PRO 960 Ca 0.00 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.10 3ikm h PRO 960 Cb 0.00 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 30.95 3ikm h PRO 960 CO 0.00 0.36 0.24 0.74 -0.21 0.00 0.00 178.00 179.13 3ikm h PHE 961 N 0.56 0.44 0.76 0.65 -1.00 -1.55 0.16 116.94 116.97 3ikm h PHE 961 Ca 0.64 0.02 -0.03 0.00 2.81 0.00 0.00 57.97 61.41 3ikm h PHE 961 Cb 1.26 -0.14 -0.00 0.00 3.61 0.00 0.00 35.95 40.68 3ikm h PHE 961 CO -0.01 0.24 -0.44 0.00 -1.61 0.00 0.00 178.31 176.50 3ikm h ALA 962 N 1.21 -1.15 -0.43 2.45 0.00 -1.37 -1.80 119.26 118.16 3ikm h ALA 962 Ca 0.18 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.94 3ikm h ALA 962 Cb 0.05 0.53 -0.10 0.00 0.00 0.00 0.00 17.79 18.28 3ikm h ALA 962 CO -0.10 -1.16 -0.35 1.05 0.00 0.00 0.00 179.25 178.69 3ikm h GLU 963 N -1.12 -0.24 -0.00 0.00 4.11 -1.43 0.48 114.58 116.37 3ikm h GLU 963 Ca -0.10 0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.35 3ikm h GLU 963 Cb 0.89 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 3ikm h GLU 963 CO 0.12 -0.16 -0.05 0.00 0.07 0.00 0.00 179.01 178.98 3ikm h ARG 964 N -0.25 -0.06 0.29 1.06 3.08 -0.49 0.63 114.38 118.64 3ikm h ARG 964 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 3ikm h ARG 964 Cb 0.55 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 3ikm h ARG 964 CO -0.57 -0.04 -0.33 -0.07 -1.07 0.00 0.00 179.97 177.89 3ikm h LEU 965 N -0.06 -0.90 -0.35 3.04 3.38 -1.15 -1.57 115.31 117.69 3ikm h LEU 965 Ca 0.00 0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.13 3ikm h LEU 965 Cb 0.07 0.31 -0.08 0.00 0.09 0.00 0.00 40.66 41.05 3ikm h LEU 965 CO -0.04 -0.46 -0.20 0.17 0.09 0.00 0.00 178.44 178.01 3ikm h LEU 966 N -0.67 -0.67 -0.38 1.67 8.10 0.00 -1.93 115.31 121.45 3ikm h LEU 966 Ca -0.01 0.14 0.07 0.00 0.11 0.00 0.00 57.88 58.19 3ikm h LEU 966 Cb 0.62 0.35 -0.09 0.00 -0.44 0.00 0.00 40.66 41.10 3ikm h LEU 966 CO -0.08 -0.23 -0.42 0.24 -4.11 0.00 0.00 178.44 173.84 3ikm h MET 967 N -0.15 -0.32 0.14 0.17 2.86 0.74 1.81 114.93 120.17 3ikm h MET 967 Ca 0.18 0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.83 3ikm h MET 967 Cb 0.42 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 3ikm h MET 967 CO -0.44 -0.22 -0.16 1.96 1.06 0.00 0.00 176.91 179.12 3ikm h GLN 968 N -0.34 -0.29 -0.20 1.72 4.20 -0.91 0.69 115.11 119.97 3ikm h GLN 968 Ca 0.13 0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.92 3ikm h GLN 968 Cb 0.58 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 3ikm h GLN 968 CO -0.55 -0.19 0.36 0.74 -0.67 0.00 0.00 178.83 178.52 3ikm h PHE 969 N -0.30 0.00 -3.77 2.96 -1.00 -1.07 -3.39 116.94 110.37 3ikm h PHE 969 Ca -0.02 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.76 3ikm h PHE 969 Cb 0.27 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.83 3ikm h PHE 969 CO -0.16 0.00 0.00 0.09 -1.61 0.00 0.00 178.31 176.63 3ikm n ASN 970 N -3.36 0.00 0.00 2.17 3.02 0.61 -5.07 115.26 112.63 3ikm n ASN 970 Ca 0.03 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.69 3ikm n ASN 970 Cb 0.48 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 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 -0.94 0.00 0.60 3.10 8.25 -1.16 -4.80 115.22 120.28 3ikm n HIS 971 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.59 3ikm n HIS 971 Cb 0.00 0.00 0.36 0.00 1.12 0.00 0.00 29.99 31.47 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 0.28 0.21 -0.41 1.74 -1.26 -4.13 116.66 113.09 3ikm n ARG 972 Ca 0.00 0.20 0.04 0.00 -0.77 0.00 0.00 57.85 57.32 3ikm n ARG 972 Cb 0.00 -1.80 0.22 0.00 -1.02 0.00 0.00 32.46 29.86 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 -0.28 0.55 3.38 -1.96 -3.46 115.31 113.55 3ikm h LEU 973 Ca 0.00 0.00 0.31 0.00 0.09 0.00 0.00 57.88 58.28 3ikm h LEU 973 Cb 0.75 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.40 3ikm h LEU 973 CO 0.00 0.00 -0.56 0.41 0.09 0.00 0.00 178.44 178.38 3ikm n THR 974 N -2.09 0.00 -0.18 0.22 -1.04 -1.26 -2.67 114.28 107.26 3ikm n THR 974 Ca -0.01 0.17 -0.02 0.00 -2.04 0.00 0.00 64.05 62.16 3ikm n THR 974 Cb 0.59 -0.57 0.05 0.00 -1.82 0.00 0.00 70.33 68.57 3ikm n THR 974 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 3ikm h GLN 975 N -1.10 -0.02 0.02 -2.82 4.15 -1.94 0.40 115.11 113.80 3ikm h GLN 975 Ca -0.02 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.43 3ikm h GLN 975 Cb 1.08 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.73 3ikm h GLN 975 CO 0.02 -0.01 -0.29 0.37 -1.93 0.00 0.00 178.83 176.99 3ikm h GLN 976 N -0.02 -0.43 -0.43 1.69 4.15 -1.99 0.62 115.11 118.70 3ikm h GLN 976 Ca 0.27 0.03 -0.09 0.00 0.77 0.00 0.00 58.65 59.63 3ikm h GLN 976 Cb 0.43 0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.20 3ikm h GLN 976 CO -0.59 -0.29 -0.08 0.93 -1.93 0.00 0.00 178.83 176.87 3ikm h GLU 977 N -0.45 0.75 -0.52 1.69 5.08 -1.27 -0.70 114.58 119.16 3ikm h GLU 977 Ca 0.06 -0.23 0.06 0.00 -1.00 0.00 0.00 59.36 58.24 3ikm h GLU 977 Cb 0.53 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.65 3ikm h GLU 977 CO -0.24 0.82 0.23 0.00 -1.00 0.00 0.00 179.01 178.82 3ikm h ALA 978 N 1.22 0.66 0.05 3.43 0.00 -0.21 -1.47 119.26 122.93 3ikm h ALA 978 Ca 0.12 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3ikm h ALA 978 Cb 0.54 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 3ikm h ALA 978 CO 0.03 -0.15 -0.42 0.00 0.00 0.00 0.00 179.25 178.71 3ikm h ALA 979 N 1.32 -0.88 -0.87 0.00 0.00 0.13 0.29 119.26 119.24 3ikm h ALA 979 Ca 0.24 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.16 3ikm h ALA 979 Cb 0.22 0.84 -0.11 0.00 0.00 0.00 0.00 17.79 18.74 3ikm h ALA 979 CO -0.21 -1.00 -0.49 0.39 0.00 0.00 0.00 179.25 177.94 3ikm n GLU 980 N -4.85 -0.36 -0.01 0.00 1.02 -0.37 -0.90 120.64 115.18 3ikm n GLU 980 Ca -0.06 1.31 -0.12 0.00 -0.02 0.00 0.00 57.16 58.27 3ikm n GLU 980 Cb 0.32 -1.94 -0.07 0.00 -0.02 0.00 0.00 31.44 29.74 3ikm n GLU 980 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3ikm h LYS 981 N 0.00 0.11 0.00 3.49 1.57 -0.44 -1.00 116.57 120.30 3ikm h LYS 981 Ca 0.16 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3ikm h LYS 981 Cb 0.38 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3ikm h LYS 981 CO -0.82 0.27 0.00 0.00 -0.57 0.00 0.00 179.45 178.32 3ikm n ALA 982 N -2.21 -0.36 -0.34 3.86 0.00 0.93 -0.86 120.51 121.53 3ikm n ALA 982 Ca -0.06 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.47 3ikm n ALA 982 Cb 0.13 0.14 0.20 0.00 0.00 0.00 0.00 19.45 19.92 3ikm n ALA 982 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3ikm n GLN 983 N -2.25 -0.08 0.28 0.00 1.13 -0.08 -1.38 117.38 115.00 3ikm n GLN 983 Ca 0.00 1.48 -0.17 0.00 -1.94 0.00 0.00 57.00 56.37 3ikm n GLN 983 Cb 0.00 -2.27 -0.08 0.00 0.11 0.00 0.00 30.24 28.00 3ikm n GLN 983 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 3ikm h GLN 984 N 0.00 -0.78 -0.83 -1.09 4.20 -0.72 0.57 115.11 116.45 3ikm h GLN 984 Ca 0.52 0.05 0.14 0.00 0.06 0.00 0.00 58.65 59.43 3ikm h GLN 984 Cb 0.94 0.18 -0.09 0.00 0.30 0.00 0.00 27.48 28.80 3ikm h GLN 984 CO -0.95 -0.52 0.42 0.52 -0.67 0.00 0.00 178.83 177.62 3ikm h MET 985 N -0.81 0.59 -0.20 1.46 2.86 0.25 0.56 114.93 119.63 3ikm h MET 985 Ca -0.05 -0.04 -0.16 0.00 -2.06 0.00 0.00 59.70 57.40 3ikm h MET 985 Cb 0.69 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 3ikm h MET 985 CO 0.01 0.39 -0.52 1.88 1.06 0.00 0.00 176.91 179.73 3ikm h TYR 986 N 0.61 0.72 -0.10 -0.22 0.99 -1.12 -3.12 116.97 114.72 3ikm h TYR 986 Ca 0.45 -0.25 0.00 0.00 2.00 0.00 0.00 58.73 60.94 3ikm h TYR 986 Cb 0.64 -0.14 -0.01 0.00 1.00 0.00 0.00 36.73 38.22 3ikm h TYR 986 CO -0.10 0.98 0.06 0.00 -0.00 0.00 0.00 178.16 179.10 3ikm h ALA 987 N 0.98 0.13 -0.61 3.88 0.00 0.45 -0.18 119.26 123.91 3ikm h ALA 987 Ca 0.02 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.99 3ikm h ALA 987 Cb 1.06 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 3ikm h ALA 987 CO 0.10 -0.37 0.40 0.00 0.00 0.00 0.00 179.25 179.39 3ikm h ALA 988 N 1.01 1.93 -0.02 0.00 0.00 -0.07 0.96 119.26 123.08 3ikm h ALA 988 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ikm h ALA 988 Cb 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3ikm h ALA 988 CO -0.01 -0.06 -0.04 0.25 0.00 0.00 0.00 179.25 179.40 3ikm n THR 989 N -4.48 0.00 -2.67 0.00 -2.24 -1.17 -4.27 114.28 99.46 3ikm n THR 989 Ca 0.09 -0.48 -0.04 0.00 -2.27 0.00 0.00 64.05 61.36 3ikm n THR 989 Cb 0.32 1.30 0.11 0.00 -2.10 0.00 0.00 70.33 69.96 3ikm n THR 989 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3ikm n LYS 990 N 0.72 0.19 -1.93 -0.78 2.85 -0.09 0.79 118.16 119.93 3ikm n LYS 990 Ca 0.08 -0.78 -0.04 0.00 -1.05 0.00 0.00 58.31 56.52 3ikm n LYS 990 Cb 0.37 -0.22 0.06 0.00 -0.65 0.00 0.00 35.03 34.60 3ikm n LYS 990 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3ikm n GLY 991 N 0.62 3.44 2.05 2.58 0.00 0.33 -4.43 105.19 109.78 3ikm n GLY 991 Ca -0.04 -1.49 -0.11 0.00 0.00 0.00 0.00 46.02 44.38 3ikm n GLY 991 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ikm n LEU 992 N -0.48 0.00 -4.69 0.99 -0.00 -1.26 -4.92 117.00 106.64 3ikm n LEU 992 Ca 0.19 -1.27 -0.30 0.00 -0.00 0.00 0.00 56.01 54.64 3ikm n LEU 992 Cb 0.90 -0.25 0.21 0.00 -0.00 0.00 0.00 43.42 44.28 3ikm n LEU 992 CO 0.11 -0.64 0.68 0.00 -0.00 0.00 0.00 177.39 177.54 3ikm s ARG 993 N -3.48 -0.41 1.51 1.96 1.70 -1.26 -4.54 118.95 114.43 3ikm s ARG 993 Ca 0.33 -0.01 0.00 0.00 -0.47 0.00 0.00 55.73 55.57 3ikm s ARG 993 Cb -0.02 -1.69 0.00 0.00 -0.57 0.00 0.00 34.95 32.67 3ikm s ARG 993 CO 0.21 -3.18 0.00 0.91 -1.08 0.00 0.00 175.30 172.16 3ikm n TRP 994 N -4.40 0.00 -0.11 5.89 7.02 -1.26 -3.47 117.44 121.12 3ikm n TRP 994 Ca 0.12 0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 56.36 3ikm n TRP 994 Cb 0.59 0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 29.40 3ikm n TRP 994 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 3ikm n TYR 995 N 9.39 0.00 -3.88 -5.99 4.01 -1.26 -5.11 117.16 114.33 3ikm n TYR 995 Ca 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.65 3ikm n TYR 995 Cb 0.00 -0.81 -0.06 0.00 -0.31 0.00 0.00 39.34 38.16 3ikm n TYR 995 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3ikm s ARG 996 N -2.43 1.19 0.00 -0.72 0.52 -1.23 -4.45 118.95 111.83 3ikm s ARG 996 Ca -0.32 -1.05 0.00 0.00 -0.52 0.00 0.00 55.73 53.84 3ikm s ARG 996 Cb 0.12 0.42 0.00 0.00 0.52 0.00 0.00 34.95 36.01 3ikm s ARG 996 CO 0.40 -0.45 0.00 -0.11 0.02 0.00 0.00 175.30 175.16 3ikm n LEU 997 N -0.24 0.00 0.00 2.53 0.00 -1.26 -4.78 117.00 113.25 3ikm n LEU 997 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.92 3ikm n LEU 997 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.05 3ikm n LEU 997 CO 0.22 0.00 0.00 -0.24 0.00 0.00 0.00 177.39 177.37 3ikm n SER 998 N -0.21 0.00 -3.83 1.96 2.88 -1.26 -3.98 113.62 109.18 3ikm n SER 998 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 3ikm n SER 998 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 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 3.99 3.40 -2.67 -3.46 8.00 0.24 -4.70 116.55 121.34 3ikm n ASP 999 Ca 0.00 -3.26 -0.04 0.00 0.71 0.00 0.00 54.79 52.20 3ikm n ASP 999 Cb 0.00 -0.79 0.09 0.00 -0.02 0.00 0.00 41.12 40.41 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 1.75 0.28 0.16 -1.24 1.02 -1.18 -4.69 120.64 116.74 3ikm n GLU 1000Ca 0.22 -0.87 0.12 0.00 -0.02 0.00 0.00 57.16 56.61 3ikm n GLU 1000Cb 0.36 -0.23 0.08 0.00 -0.02 0.00 0.00 31.44 31.63 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 2.09 0.00 0.21 0.62 0.00 -1.86 0.17 103.07 104.30 3ikm h GLY 1001Ca -0.34 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 3ikm h GLY 1001CO -0.02 0.00 -0.00 1.05 0.00 0.00 0.00 176.54 177.56 3ikm h GLU 1002N 0.00 -0.01 0.00 4.80 4.11 -1.90 -0.35 114.58 121.24 3ikm h GLU 1002Ca -0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.36 3ikm h GLU 1002Cb 1.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 3ikm h GLU 1002CO 0.00 0.76 -0.31 -1.49 0.07 0.00 0.00 179.01 178.04 3ikm h TRP 1003N -0.80 0.00 -0.40 2.06 -0.00 -1.91 5.07 115.95 119.98 3ikm h TRP 1003Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.89 58.86 3ikm h TRP 1003Cb 0.77 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.91 3ikm h TRP 1003CO 0.20 0.31 0.13 1.25 -0.00 0.00 0.00 178.44 180.33 3ikm h LEU 1004N 0.00 0.52 0.18 -4.49 5.85 -0.83 1.85 115.31 118.39 3ikm h LEU 1004Ca -0.00 -0.06 -0.35 0.00 0.84 0.00 0.00 57.88 58.31 3ikm h LEU 1004Cb 0.65 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 41.55 3ikm h LEU 1004CO 0.04 0.50 -1.73 -0.37 -0.34 0.00 0.00 178.44 176.53 3ikm h VAL 1005N 0.57 0.93 -0.38 1.05 -1.51 0.24 0.93 116.25 118.08 3ikm h VAL 1005Ca 0.14 -2.49 0.06 0.00 -1.23 0.00 0.00 66.70 63.18 3ikm h VAL 1005Cb 0.16 2.74 -0.05 0.00 -2.13 0.00 0.00 31.29 32.01 3ikm h VAL 1005CO -0.01 0.85 0.05 0.03 -1.23 0.00 0.00 177.57 177.26 3ikm h ARG 1006N 0.06 0.16 -0.35 5.19 -0.00 1.01 1.07 114.38 121.52 3ikm h ARG 1006Ca -0.35 -0.01 -0.06 0.00 -0.50 0.00 0.00 59.98 59.06 3ikm h ARG 1006Cb 2.06 -0.04 -0.01 0.00 0.00 0.00 0.00 29.97 31.98 3ikm h ARG 1006CO 0.16 0.11 -0.02 1.49 0.00 0.00 0.00 179.97 181.71 3ikm h GLU 1007N 0.17 0.63 0.00 0.04 4.81 0.28 0.25 114.58 120.76 3ikm h GLU 1007Ca 0.18 -0.21 -0.14 0.00 -0.13 0.00 0.00 59.36 59.06 3ikm h GLU 1007Cb 0.23 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 3ikm h GLU 1007CO -0.26 0.76 -0.68 1.37 -0.73 0.00 0.00 179.01 179.47 3ikm h LEU 1008N 0.43 0.00 0.00 1.64 -0.00 0.17 0.61 115.31 118.17 3ikm h LEU 1008Ca 0.10 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.81 3ikm h LEU 1008Cb 0.49 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.12 3ikm h LEU 1008CO 0.02 0.68 -1.01 0.78 -0.00 0.00 0.00 178.44 178.91 3ikm h ASN 1009N 0.00 0.00 -0.40 0.17 2.35 0.11 -3.37 115.58 114.45 3ikm h ASN 1009Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3ikm h ASN 1009Cb 1.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.62 3ikm h ASN 1009CO 0.09 0.69 0.00 0.18 -1.65 0.00 0.00 177.43 176.73 3ikm n LEU 1010N -3.14 3.31 -0.60 1.61 4.77 0.87 -3.74 117.00 120.07 3ikm n LEU 1010Ca -0.04 -2.17 0.12 0.00 -0.03 0.00 0.00 56.01 53.89 3ikm n LEU 1010Cb 0.84 -0.33 0.40 0.00 -2.33 0.00 0.00 43.42 42.01 3ikm n LEU 1010CO 0.43 0.76 0.80 -0.81 -1.33 0.00 0.00 177.39 177.24 3ikm n PRO 1011N 0.55 1.81 -4.31 3.23 -0.04 0.19 -4.86 135.00 131.57 3ikm n PRO 1011Ca 0.15 -1.20 -0.18 0.00 -0.04 0.00 0.00 63.50 62.23 3ikm n PRO 1011Cb 0.55 -1.45 -0.14 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.87 0.69 0.00 0.52 -7.23 -1.25 -4.68 120.40 106.58 3ikm s VAL 1012Ca 0.35 -0.47 0.00 0.00 -1.81 0.00 0.00 61.98 60.05 3ikm s VAL 1012Cb 0.20 -0.60 0.00 0.00 0.56 0.00 0.00 36.38 36.54 3ikm s VAL 1012CO 0.30 0.12 0.00 -0.67 -0.31 0.00 0.00 175.10 174.54 3ikm n ASP 1013N 2.67 -4.13 -4.55 4.85 2.03 -1.26 -4.74 116.55 111.41 3ikm n ASP 1013Ca -0.14 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 54.89 3ikm n ASP 1013Cb 0.57 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.87 3ikm n ASP 1013CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ikm s ARG 1014N 0.00 2.01 0.00 -0.67 1.70 -1.26 -4.78 118.95 115.94 3ikm s ARG 1014Ca 0.00 -1.25 0.00 0.00 -0.47 0.00 0.00 55.73 54.01 3ikm s ARG 1014Cb 0.00 -2.15 0.00 0.00 -0.57 0.00 0.00 34.95 32.23 3ikm s ARG 1014CO 0.00 0.44 0.00 0.25 -1.08 0.00 0.00 175.30 174.91 3ikm n THR 1015N 0.20 0.00 -0.05 4.99 -2.24 -1.26 -5.08 114.28 110.85 3ikm n THR 1015Ca -0.12 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.58 3ikm n THR 1015Cb 0.55 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.74 3ikm n THR 1015CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 3ikm n GLU 1016N 0.00 0.21 0.00 -0.78 0.00 -1.23 -3.39 120.64 115.45 3ikm n GLU 1016Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 57.16 57.23 3ikm n GLU 1016Cb 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 31.44 30.47 3ikm n GLU 1016CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3ikm n GLY 1017N 2.68 1.51 4.07 -1.84 0.00 -1.26 -4.06 105.19 106.29 3ikm n GLY 1017Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.04 0.00 0.12 -0.02 0.00 -1.26 -4.20 105.19 99.78 3ikm n GLY 1018Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3ikm n GLY 1018CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3ikm n TRP 1019N -1.29 0.00 0.00 1.61 -0.00 -1.26 -4.19 117.44 112.31 3ikm n TRP 1019Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 3ikm n TRP 1019Cb 0.00 -0.49 0.00 0.00 -0.00 0.00 0.00 31.31 30.82 3ikm n TRP 1019CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 177.69 179.20 3ikm n ILE 1020N -2.95 0.00 0.00 5.87 0.13 -1.26 -5.08 119.36 116.07 3ikm n ILE 1020Ca -0.23 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.42 3ikm n ILE 1020Cb 0.73 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.53 3ikm n ILE 1020CO 0.00 0.00 0.00 -1.20 2.80 0.00 0.00 176.55 178.15 3ikm n SER 1021N 0.00 0.00 -4.48 9.51 7.64 -1.26 -4.71 113.62 120.32 3ikm n SER 1021Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.55 3ikm n SER 1021Cb 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 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 2.92 -0.92 -3.43 1.43 -1.25 -3.48 118.68 113.95 3ikm s LEU 1022Ca 0.00 -0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 52.92 3ikm s LEU 1022Cb 0.00 -1.63 0.25 0.00 0.03 0.00 0.00 46.19 44.84 3ikm s LEU 1022CO 0.00 0.28 0.98 0.00 0.23 0.00 0.00 176.35 177.85 3ikm n GLN 1023N 2.73 3.15 -0.11 1.70 6.02 -1.22 -4.89 117.38 124.76 3ikm n GLN 1023Ca -0.18 -4.54 -0.02 0.00 -0.01 0.00 0.00 57.00 52.26 3ikm n GLN 1023Cb 0.53 -2.42 -0.01 0.00 1.02 0.00 0.00 30.24 29.36 3ikm n GLN 1023CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3ikm n ASP 1024N 1.81 -0.24 -4.75 1.08 5.75 -1.26 -4.72 116.55 114.22 3ikm n ASP 1024Ca 0.25 0.49 -0.41 0.00 -0.01 0.00 0.00 54.79 55.10 3ikm n ASP 1024Cb 0.37 -0.09 -0.02 0.00 -1.03 0.00 0.00 41.12 40.35 3ikm n ASP 1024CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3ikm s LEU 1025N -8.75 4.39 -0.18 -2.12 1.43 -1.26 -4.79 118.68 107.40 3ikm s LEU 1025Ca -0.04 2.68 -0.09 0.00 -1.03 0.00 0.00 54.13 55.66 3ikm s LEU 1025Cb 0.04 -3.63 0.06 0.00 0.03 0.00 0.00 46.19 42.70 3ikm s LEU 1025CO 0.18 -0.66 0.42 -0.13 0.23 0.00 0.00 176.35 176.39 3ikm s ARG 1026N -0.86 0.38 0.07 1.70 0.52 -1.26 -4.89 118.95 114.61 3ikm s ARG 1026Ca 0.56 0.84 -0.24 0.00 -0.52 0.00 0.00 55.73 56.36 3ikm s ARG 1026Cb -0.41 0.04 -0.10 0.00 0.52 0.00 0.00 34.95 34.99 3ikm s ARG 1026CO 0.47 -0.17 1.39 -0.22 0.02 0.00 0.00 175.30 176.78 3ikm h LYS 1027N 7.31 -0.53 -0.23 3.54 1.63 -1.88 20.58 116.57 146.99 3ikm h LYS 1027Ca -0.33 0.04 -0.17 0.00 -0.85 0.00 0.00 60.65 59.34 3ikm h LYS 1027Cb 1.17 0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 32.92 3ikm h LYS 1027CO 0.26 -0.35 -0.54 0.28 -3.45 0.00 0.00 179.45 175.65 3ikm h VAL 1028N -0.55 1.30 0.00 2.00 2.07 -1.83 -2.39 116.25 116.85 3ikm h VAL 1028Ca -0.01 -1.76 -0.01 0.00 0.82 0.00 0.00 66.70 65.74 3ikm h VAL 1028Cb 0.54 1.70 -0.00 0.00 -1.52 0.00 0.00 31.29 32.02 3ikm h VAL 1028CO -0.19 0.56 -0.59 1.56 0.02 0.00 0.00 177.57 178.93 3ikm h GLN 1029N 0.53 0.00 0.03 1.57 4.20 -1.80 -2.50 115.11 117.14 3ikm h GLN 1029Ca 0.01 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.52 3ikm h GLN 1029Cb 1.11 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.91 3ikm h GLN 1029CO 0.11 0.02 -0.83 -0.09 -0.67 0.00 0.00 178.83 177.37 3ikm h ARG 1030N 0.00 0.50 -7.15 1.46 2.43 4.81 -3.38 114.38 113.05 3ikm h ARG 1030Ca -0.00 -0.59 -0.50 0.00 -0.81 0.00 0.00 59.98 58.08 3ikm h ARG 1030Cb 1.03 0.18 0.05 0.00 -0.42 0.00 0.00 29.97 30.80 3ikm h ARG 1030CO 0.00 1.22 0.27 -1.21 -1.51 0.00 0.00 179.97 178.74 3ikm s GLU 1031N -3.12 3.57 0.00 0.20 2.02 -0.90 -4.90 118.70 115.57 3ikm s GLU 1031Ca -0.12 0.48 0.00 0.00 0.02 0.00 0.00 54.97 55.35 3ikm s GLU 1031Cb 0.04 -2.23 0.00 0.00 0.10 0.00 0.00 34.13 32.05 3ikm s GLU 1031CO 0.86 -0.39 0.00 -2.37 0.02 0.00 0.00 175.26 173.39 3ikm n THR 1032N -2.51 0.00 -1.04 3.63 5.66 -0.95 -4.48 114.28 114.60 3ikm n THR 1032Ca 0.03 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.80 3ikm n THR 1032Cb 0.55 0.00 0.15 0.00 -1.55 0.00 0.00 70.33 69.48 3ikm n THR 1032CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3ikm n ALA 1033N 0.00 5.40 0.00 1.79 0.00 -1.26 -5.00 120.51 121.44 3ikm n ALA 1033Ca 0.00 -2.67 0.00 0.00 0.00 0.00 0.00 53.44 50.77 3ikm n ALA 1033Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.01 3ikm n ALA 1033CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ikm n ARG 1034N -0.95 0.00 -2.69 0.00 1.74 -1.26 -4.94 116.66 108.56 3ikm n ARG 1034Ca 0.54 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 57.20 3ikm n ARG 1034Cb 1.45 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 32.86 3ikm n ARG 1034CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3ikm s LYS 1035N 0.00 3.37 0.04 5.56 2.20 -1.26 -4.92 119.74 124.73 3ikm s LYS 1035Ca 0.00 -0.08 0.03 0.00 -0.36 0.00 0.00 55.97 55.56 3ikm s LYS 1035Cb 0.00 -4.07 -0.02 0.00 -1.51 0.00 0.00 37.83 32.23 3ikm s LYS 1035CO 0.00 -1.69 -0.09 -1.54 -0.36 0.00 0.00 175.35 171.67 3ikm s SER 1036N 3.08 1.06 -0.22 1.43 1.04 -1.26 -4.90 113.70 113.93 3ikm s SER 1036Ca 0.36 -0.47 -0.10 0.00 0.48 0.00 0.00 55.95 56.22 3ikm s SER 1036Cb -0.10 -0.01 0.01 0.00 0.10 0.00 0.00 66.02 66.02 3ikm s SER 1036CO 0.21 -0.11 0.20 0.00 0.98 0.00 0.00 173.24 174.52 3ikm n GLN 1037N 1.75 -1.69 -0.40 4.02 1.13 -1.26 -1.77 117.38 119.16 3ikm n GLN 1037Ca -0.20 1.59 0.00 0.00 -1.94 0.00 0.00 57.00 56.45 3ikm n GLN 1037Cb 0.55 -2.90 0.00 0.00 0.11 0.00 0.00 30.24 28.00 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 0.66 0.00 -2.94 1.08 -0.00 -1.26 -1.46 117.44 113.52 3ikm n TRP 1038Ca -0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.50 57.37 3ikm n TRP 1038Cb 0.40 -1.23 0.06 0.00 -0.00 0.00 0.00 31.31 30.54 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 -0.66 -2.19 -2.99 5.87 5.02 -0.73 -3.05 118.16 119.44 3ikm n LYS 1039Ca 0.00 0.70 -0.13 0.00 -2.02 0.00 0.00 58.31 56.87 3ikm n LYS 1039Cb 0.07 -5.03 0.06 0.00 -0.02 0.00 0.00 35.03 30.11 3ikm n LYS 1039CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3ikm n LYS 1040N -2.97 -3.19 0.00 1.97 4.01 -0.54 -2.99 118.16 114.46 3ikm n LYS 1040Ca -0.08 0.68 0.00 0.00 -0.51 0.00 0.00 58.31 58.41 3ikm n LYS 1040Cb 0.60 -5.03 0.00 0.00 -0.51 0.00 0.00 35.03 30.09 3ikm n LYS 1040CO 0.00 0.00 0.00 1.87 -1.11 0.00 0.00 177.40 178.16 3ikm n TRP 1041N -3.12 0.00 -0.19 2.13 -0.00 -1.21 -0.90 117.44 114.15 3ikm n TRP 1041Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.37 3ikm n TRP 1041Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.92 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 0.00 0.00 0.00 5.87 -0.58 -1.16 -4.79 120.64 119.98 3ikm n GLU 1042Ca 0.00 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 3ikm n GLU 1042Cb 0.00 -0.63 0.00 0.00 -0.57 0.00 0.00 31.44 30.24 3ikm n GLU 1042CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3ikm n VAL 1043N -2.19 0.00 0.24 2.62 0.31 -1.11 -4.00 118.33 114.20 3ikm n VAL 1043Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.46 3ikm n VAL 1043Cb 0.00 0.40 0.42 0.00 -0.91 0.00 0.00 33.84 33.75 3ikm n VAL 1043CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 3ikm h VAL 1044N 1.90 0.17 0.02 2.52 3.04 -1.33 1.62 116.25 124.19 3ikm h VAL 1044Ca 0.00 -0.93 -0.30 0.00 -1.01 0.00 0.00 66.70 64.46 3ikm h VAL 1044Cb 0.73 1.80 -0.05 0.00 -2.01 0.00 0.00 31.29 31.76 3ikm h VAL 1044CO 0.00 0.08 -1.73 0.00 -1.01 0.00 0.00 177.57 174.91 3ikm h ALA 1045N 1.92 0.73 0.04 3.17 0.00 -1.80 -3.12 119.26 120.19 3ikm h ALA 1045Ca -0.00 -1.45 -0.25 0.00 0.00 0.00 0.00 54.91 53.21 3ikm h ALA 1045Cb 0.79 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 3ikm h ALA 1045CO 0.01 1.55 -1.24 1.49 0.00 0.00 0.00 179.25 181.06 3ikm h GLU 1046N 0.01 0.07 0.00 0.00 4.57 -1.36 -0.85 114.58 117.03 3ikm h GLU 1046Ca -0.30 -0.13 -0.05 0.00 -1.18 0.00 0.00 59.36 57.71 3ikm h GLU 1046Cb 2.01 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 30.64 3ikm h GLU 1046CO 0.08 0.95 -0.23 -0.09 -1.18 0.00 0.00 179.01 178.55 3ikm h ARG 1047N 0.02 0.00 0.00 1.92 1.12 0.22 0.55 114.38 118.21 3ikm h ARG 1047Ca -0.11 0.00 -0.10 0.00 -1.11 0.00 0.00 59.98 58.66 3ikm h ARG 1047Cb 1.88 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.83 3ikm h ARG 1047CO 0.14 0.23 -0.46 0.00 -3.11 0.00 0.00 179.97 176.76 3ikm h ALA 1048N 1.77 0.80 -0.64 2.80 0.00 -1.43 -3.05 119.26 119.51 3ikm h ALA 1048Ca -0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 3ikm h ALA 1048Cb 0.59 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3ikm h ALA 1048CO 0.03 0.57 0.24 0.11 0.00 0.00 0.00 179.25 180.21 3ikm h TRP 1049N 0.00 0.96 0.00 0.00 5.08 0.59 -3.22 115.95 119.36 3ikm h TRP 1049Ca -0.00 -0.06 -0.05 0.00 1.08 0.00 0.00 58.89 59.86 3ikm h TRP 1049Cb 1.18 -0.29 -0.01 0.00 -3.00 0.00 0.00 29.16 27.04 3ikm h TRP 1049CO 0.00 0.74 -0.22 -0.22 -1.28 0.00 0.00 178.44 177.46 3ikm h LYS 1050N 0.93 0.00 -0.35 0.12 3.64 -1.39 -3.39 116.57 116.13 3ikm h LYS 1050Ca 0.22 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.45 3ikm h LYS 1050Cb 0.20 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3ikm h LYS 1050CO -0.02 0.22 -0.38 0.78 -2.27 0.00 0.00 179.45 177.78 3ikm h GLY 1051N 2.04 0.89 0.00 5.01 0.00 -1.63 -3.44 103.07 105.94 3ikm h GLY 1051Ca -0.00 -0.90 0.00 0.00 0.00 0.00 0.00 47.33 46.43 3ikm h GLY 1051CO 0.03 0.81 0.00 0.61 0.00 0.00 0.00 176.54 177.99 3ikm n GLY 1052N 0.06 0.00 0.39 4.60 0.00 -1.26 -0.41 105.19 108.58 3ikm n GLY 1052Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 3ikm n GLY 1052CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ikm h THR 1053N 0.00 0.11 -0.43 2.61 2.02 -1.93 -0.96 112.91 114.32 3ikm h THR 1053Ca 0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 3ikm h THR 1053Cb 0.00 0.11 -0.09 0.00 -1.74 0.00 0.00 68.15 66.43 3ikm h THR 1053CO 0.00 0.00 -0.44 -0.33 0.37 0.00 0.00 175.52 175.12 3ikm h GLU 1054N -0.32 -0.31 -1.04 6.66 5.08 -1.84 0.87 114.58 123.68 3ikm h GLU 1054Ca 0.14 0.02 0.27 0.00 -1.00 0.00 0.00 59.36 58.79 3ikm h GLU 1054Cb 0.58 0.07 -0.11 0.00 0.50 0.00 0.00 28.75 29.79 3ikm h GLU 1054CO -0.59 -0.21 0.65 0.77 -1.00 0.00 0.00 179.01 178.64 3ikm h SER 1055N -0.32 0.51 0.15 1.42 0.02 0.61 0.10 113.55 116.04 3ikm h SER 1055Ca 0.14 0.11 -0.16 0.00 -0.84 0.00 0.00 61.79 61.03 3ikm h SER 1055Cb 0.58 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 3ikm h SER 1055CO -0.59 0.07 -0.60 -0.33 -1.14 0.00 0.00 176.83 174.23 3ikm h GLU 1056N 0.43 0.45 -0.01 3.45 3.07 -0.19 1.70 114.58 123.49 3ikm h GLU 1056Ca 0.63 -0.31 0.00 0.00 -0.50 0.00 0.00 59.36 59.18 3ikm h GLU 1056Cb 1.49 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.44 3ikm h GLU 1056CO -0.37 0.92 -0.03 -0.12 -1.40 0.00 0.00 179.01 178.00 3ikm n MET 1057N -3.92 1.19 -0.08 2.33 1.56 -0.44 -3.77 117.12 113.99 3ikm n MET 1057Ca -0.03 -0.45 -0.13 0.00 -0.27 0.00 0.00 57.70 56.82 3ikm n MET 1057Cb 0.63 -1.49 -0.07 0.00 2.15 0.00 0.00 33.22 34.44 3ikm n MET 1057CO 0.00 0.00 0.00 1.19 -0.73 0.00 0.00 175.97 176.43 3ikm n PHE 1058N -0.51 0.00 0.00 1.12 3.72 -0.11 -4.72 117.46 116.96 3ikm n PHE 1058Ca 0.20 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.60 3ikm n PHE 1058Cb 0.25 -0.62 0.00 0.00 -0.94 0.00 0.00 39.48 38.17 3ikm n PHE 1058CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3ikm n ASN 1059N -3.13 0.00 -4.68 4.37 3.02 0.58 -3.85 115.26 111.57 3ikm n ASN 1059Ca -0.30 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 53.89 3ikm n ASN 1059Cb 0.79 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.87 3ikm n ASN 1059CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3ikm s LYS 1060N -3.65 4.12 0.01 3.52 1.02 -1.26 -5.00 119.74 118.49 3ikm s LYS 1060Ca 0.00 -0.19 -0.20 0.00 0.02 0.00 0.00 55.97 55.60 3ikm s LYS 1060Cb 0.00 -3.51 -0.21 0.00 -0.52 0.00 0.00 37.83 33.60 3ikm s LYS 1060CO 0.00 0.11 1.15 1.25 -0.92 0.00 0.00 175.35 176.95 3ikm h LEU 1061N 7.29 0.51 0.00 3.17 7.12 -1.97 -3.41 115.31 128.02 3ikm h LEU 1061Ca -0.39 -0.70 0.00 0.00 0.13 0.00 0.00 57.88 56.92 3ikm h LEU 1061Cb 1.16 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 41.14 3ikm h LEU 1061CO 0.69 1.13 0.00 -0.62 -0.13 0.00 0.00 178.44 179.51 3ikm n GLU 1062N -4.29 0.00 -4.25 1.25 1.02 -1.26 -4.93 120.64 108.19 3ikm n GLU 1062Ca -0.09 0.21 -0.16 0.00 -0.02 0.00 0.00 57.16 57.10 3ikm n GLU 1062Cb 0.60 -1.19 -0.10 0.00 -0.02 0.00 0.00 31.44 30.73 3ikm n GLU 1062CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3ikm s SER 1063N -2.05 1.89 -0.06 1.62 1.04 -1.26 -5.04 113.70 109.85 3ikm s SER 1063Ca 0.00 -0.95 0.03 0.00 0.48 0.00 0.00 55.95 55.52 3ikm s SER 1063Cb 0.00 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.09 3ikm s SER 1063CO 0.00 -0.26 -0.16 -0.63 0.98 0.00 0.00 173.24 173.17 3ikm s ILE 1064N -2.92 1.39 0.00 -1.02 1.09 -1.26 -4.56 121.20 113.92 3ikm s ILE 1064Ca 0.14 -0.66 0.00 0.00 -1.10 0.00 0.00 60.65 59.03 3ikm s ILE 1064Cb -0.00 -1.22 0.00 0.00 -1.06 0.00 0.00 42.46 40.18 3ikm s ILE 1064CO 0.02 0.41 0.00 0.00 -0.10 0.00 0.00 174.94 175.26 3ikm n ALA 1065N 3.44 0.00 -0.10 9.38 0.00 -1.26 -4.82 120.51 127.15 3ikm n ALA 1065Ca -0.20 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.25 3ikm n ALA 1065Cb 0.53 -0.13 -0.00 0.00 0.00 0.00 0.00 19.45 19.85 3ikm n ALA 1065CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3ikm n THR 1066N -2.00 0.00 0.70 0.00 -2.24 -1.26 -4.56 114.28 104.92 3ikm n THR 1066Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 3ikm n THR 1066Cb 0.00 -0.02 0.32 0.00 -2.10 0.00 0.00 70.33 68.54 3ikm n THR 1066CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3ikm n SER 1067N -0.13 0.62 0.00 3.42 2.88 -1.26 -4.96 113.62 114.19 3ikm n SER 1067Ca 0.00 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.83 3ikm n SER 1067Cb 0.02 -0.26 0.00 0.00 -0.75 0.00 0.00 64.21 63.23 3ikm n SER 1067CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 3ikm n ASP 1068N -2.01 -0.83 0.00 -3.46 2.03 -1.26 -4.97 116.55 106.05 3ikm n ASP 1068Ca 0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.36 3ikm n ASP 1068Cb 0.41 0.53 0.00 0.00 -0.72 0.00 0.00 41.12 41.34 3ikm n ASP 1068CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ikm n ILE 1069N 0.80 0.00 0.00 5.18 0.00 -1.26 -4.79 119.36 119.29 3ikm n ILE 1069Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.75 3ikm n ILE 1069Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39.64 39.64 3ikm n ILE 1069CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3ikm n PRO 1070N -1.18 0.00 -2.86 9.51 -0.05 -1.26 -5.07 135.00 134.09 3ikm n PRO 1070Ca 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 63.50 63.44 3ikm n PRO 1070Cb 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 33.50 33.44 3ikm n PRO 1070CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99 3ikm n ARG 1071N 0.00 -2.69 -0.01 0.54 1.74 -1.26 -4.96 116.66 110.03 3ikm n ARG 1071Ca 0.00 2.26 0.10 0.00 -0.77 0.00 0.00 57.85 59.44 3ikm n ARG 1071Cb 0.00 -3.58 -0.14 0.00 -1.02 0.00 0.00 32.46 27.72 3ikm n ARG 1071CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3ikm n THR 1072N 1.38 0.00 -1.66 0.55 -1.04 -1.26 -4.90 114.28 107.35 3ikm n THR 1072Ca -0.11 -0.28 -0.46 0.00 -2.04 0.00 0.00 64.05 61.16 3ikm n THR 1072Cb 0.28 0.44 -0.04 0.00 -1.82 0.00 0.00 70.33 69.19 3ikm n THR 1072CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3ikm n PRO 1073N -1.90 2.00 0.00 -2.82 -0.04 -1.26 -5.11 135.00 125.87 3ikm n PRO 1073Ca -0.01 0.72 0.00 0.00 -0.04 0.00 0.00 63.50 64.17 3ikm n PRO 1073Cb 0.44 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 3ikm n PRO 1073CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 3ikm n VAL 1074N 2.90 0.00 -3.48 0.52 3.14 -1.26 -4.75 118.33 115.40 3ikm n VAL 1074Ca 0.16 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 61.11 3ikm n VAL 1074Cb 0.28 -0.85 -0.07 0.00 -1.06 0.00 0.00 33.84 32.15 3ikm n VAL 1074CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 3ikm s GLU 1090N 2.94 2.76 0.22 1.45 2.12 -1.26 -4.82 118.70 122.12 3ikm s GLU 1090Ca 0.00 -1.91 0.00 0.00 0.36 0.00 0.00 54.97 53.42 3ikm s GLU 1090Cb 0.00 -4.07 0.00 0.00 0.26 0.00 0.00 34.13 30.32 3ikm s GLU 1090CO 0.00 -1.24 0.00 0.39 -0.54 0.00 0.00 175.26 173.87 3ikm n GLU 1091N 4.76 -0.89 0.00 4.30 -0.58 -1.26 -4.85 120.64 122.11 3ikm n GLU 1091Ca -0.05 0.58 0.00 0.00 -0.42 0.00 0.00 57.16 57.27 3ikm n GLU 1091Cb 0.41 -1.08 0.00 0.00 -0.57 0.00 0.00 31.44 30.20 3ikm n GLU 1091CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3ikm n PHE 1092N -1.96 0.00 0.00 -0.32 0.99 -1.26 -4.72 117.46 110.19 3ikm n PHE 1092Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3ikm n PHE 1092Cb 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.68 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 0.27 0.00 0.00 -1.08 2.81 -1.26 -2.53 117.12 115.33 3ikm n MET 1093Ca 0.00 0.73 0.00 0.00 -1.81 0.00 0.00 57.70 56.62 3ikm n MET 1093Cb 0.00 -1.16 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 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 -2.26 0.00 0.00 2.03 -1.04 -1.21 0.25 114.28 112.06 3ikm n THR 1094Ca 0.00 0.19 0.00 0.00 -2.04 0.00 0.00 64.05 62.20 3ikm n THR 1094Cb 0.00 -0.29 0.00 0.00 -1.82 0.00 0.00 70.33 68.22 3ikm n THR 1094CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3ikm n SER 1095N -0.58 0.00 -0.28 8.00 3.41 -1.21 -0.05 113.62 122.91 3ikm n SER 1095Ca 0.00 0.61 -0.05 0.00 -0.26 0.00 0.00 58.87 59.17 3ikm n SER 1095Cb 0.00 -0.11 -0.04 0.00 -0.26 0.00 0.00 64.21 63.80 3ikm n SER 1095CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3ikm n ARG 1096N -1.32 -0.26 -0.06 4.33 1.74 0.32 0.21 116.66 121.62 3ikm n ARG 1096Ca 0.00 1.04 -0.08 0.00 -0.77 0.00 0.00 57.85 58.04 3ikm n ARG 1096Cb 0.00 -1.53 -0.01 0.00 -1.02 0.00 0.00 32.46 29.89 3ikm n ARG 1096CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3ikm h VAL 1097N 0.00 0.90 -0.62 1.55 2.07 0.38 -0.71 116.25 119.83 3ikm h VAL 1097Ca 0.15 -0.06 0.07 0.00 0.82 0.00 0.00 66.70 67.68 3ikm h VAL 1097Cb 0.32 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 3ikm h VAL 1097CO -0.66 0.03 0.31 -1.13 0.02 0.00 0.00 177.57 176.14 3ikm h ASN 1098N 0.17 0.42 0.66 0.57 -0.73 0.34 -2.48 115.58 114.53 3ikm h ASN 1098Ca 0.11 0.04 -0.06 0.00 1.87 0.00 0.00 56.30 58.26 3ikm h ASN 1098Cb 0.10 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 38.65 3ikm h ASN 1098CO -0.14 0.27 -0.30 -0.50 -0.37 0.00 0.00 177.43 176.39 3ikm h TRP 1099N 0.56 0.00 0.41 0.67 6.55 -0.24 -2.72 115.95 121.18 3ikm h TRP 1099Ca 0.29 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 60.12 3ikm h TRP 1099Cb 0.24 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.53 3ikm h TRP 1099CO -0.11 0.30 -0.37 0.28 -1.05 0.00 0.00 178.44 177.50 3ikm h VAL 1100N 0.00 0.00 -0.45 1.49 2.07 -0.67 2.80 116.25 121.50 3ikm h VAL 1100Ca -0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 3ikm h VAL 1100Cb 0.71 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.39 3ikm h VAL 1100CO 0.04 0.00 -0.38 0.58 0.02 0.00 0.00 177.57 177.83 3ikm h VAL 1101N -0.77 0.16 0.50 2.57 2.07 -1.60 0.32 116.25 119.51 3ikm h VAL 1101Ca -0.05 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 3ikm h VAL 1101Cb 0.65 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 3ikm h VAL 1101CO -0.02 0.00 -0.28 1.56 0.02 0.00 0.00 177.57 178.85 3ikm h GLN 1102N -0.27 -0.70 -0.97 1.57 7.50 -1.09 -0.19 115.11 120.97 3ikm h GLN 1102Ca 0.17 0.05 0.32 0.00 0.50 0.00 0.00 58.65 59.68 3ikm h GLN 1102Cb 0.56 0.16 -0.17 0.00 0.05 0.00 0.00 27.48 28.08 3ikm h GLN 1102CO -0.59 -0.47 0.31 0.77 -1.50 0.00 0.00 178.83 177.35 3ikm h SER 1103N -0.73 0.02 0.96 1.46 0.02 0.54 1.18 113.55 116.99 3ikm h SER 1103Ca -0.07 0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3ikm h SER 1103Cb 0.58 0.32 -0.00 0.00 0.14 0.00 0.00 62.40 63.44 3ikm h SER 1103CO 0.08 -0.30 -0.00 0.28 -1.14 0.00 0.00 176.83 175.75 3ikm h SER 1104N 0.10 0.00 0.60 3.07 0.02 0.14 -1.69 113.55 115.79 3ikm h SER 1104Ca 0.68 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.63 3ikm h SER 1104Cb 1.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.12 3ikm h SER 1104CO -0.77 0.00 -0.42 0.00 -1.14 0.00 0.00 176.83 174.51 3ikm n ALA 1105N -2.09 3.31 -0.02 3.77 0.00 0.40 -2.40 120.51 123.48 3ikm n ALA 1105Ca 0.00 -0.30 -0.12 0.00 0.00 0.00 0.00 53.44 53.02 3ikm n ALA 1105Cb 0.29 -1.18 -0.10 0.00 0.00 0.00 0.00 19.45 18.46 3ikm n ALA 1105CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3ikm h VAL 1106N 0.00 1.33 -0.57 0.00 2.07 -0.53 -2.33 116.25 116.22 3ikm h VAL 1106Ca 0.00 -1.63 0.11 0.00 0.82 0.00 0.00 66.70 66.00 3ikm h VAL 1106Cb 0.51 2.34 -0.11 0.00 -1.52 0.00 0.00 31.29 32.51 3ikm h VAL 1106CO 0.00 0.39 -0.25 0.44 0.02 0.00 0.00 177.57 178.17 3ikm h ASP 1107N -0.83 -0.86 -0.44 0.57 5.19 -1.50 0.89 116.42 119.44 3ikm h ASP 1107Ca -0.01 0.20 0.04 0.00 -0.62 0.00 0.00 57.03 56.65 3ikm h ASP 1107Cb 0.68 0.47 -0.07 0.00 0.18 0.00 0.00 39.33 40.59 3ikm h ASP 1107CO 0.01 -0.26 -0.40 0.22 -3.12 0.00 0.00 179.24 175.69 3ikm h TYR 1108N -0.10 -1.23 -0.74 4.55 3.20 -1.42 -1.14 116.97 120.09 3ikm h TYR 1108Ca 0.26 0.07 0.12 0.00 3.14 0.00 0.00 58.73 62.31 3ikm h TYR 1108Cb 0.51 0.60 -0.13 0.00 1.54 0.00 0.00 36.73 39.25 3ikm h TYR 1108CO -0.56 -0.31 -0.38 1.25 -1.64 0.00 0.00 178.16 176.52 3ikm h LEU 1109N -0.17 -1.35 -1.91 2.82 7.12 -0.27 -1.61 115.31 119.94 3ikm h LEU 1109Ca 0.07 0.26 0.13 0.00 0.13 0.00 0.00 57.88 58.47 3ikm h LEU 1109Cb 0.36 0.67 -0.02 0.00 -0.53 0.00 0.00 40.66 41.15 3ikm h LEU 1109CO -0.50 -0.30 0.50 0.45 -0.13 0.00 0.00 178.44 178.45 3ikm h HIS 1110N -0.12 0.00 0.02 1.25 3.86 -0.43 -2.09 115.15 117.64 3ikm h HIS 1110Ca 0.26 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.36 3ikm h HIS 1110Cb 0.56 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.03 3ikm h HIS 1110CO -0.74 0.00 -0.54 -0.07 0.86 0.00 0.00 177.93 177.44 3ikm h LEU 1111N 0.00 0.06 -0.93 2.43 4.07 -1.14 0.44 115.31 120.25 3ikm h LEU 1111Ca 0.21 -0.84 0.23 0.00 0.08 0.00 0.00 57.88 57.55 3ikm h LEU 1111Cb 1.20 -0.02 -0.17 0.00 1.08 0.00 0.00 40.66 42.75 3ikm h LEU 1111CO -0.00 1.22 -0.06 0.24 -1.08 0.00 0.00 178.44 178.76 3ikm h MET 1112N -0.90 0.03 0.51 1.13 2.86 -1.34 0.21 114.93 117.43 3ikm h MET 1112Ca -0.14 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 3ikm h MET 1112Cb 1.20 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.86 3ikm h MET 1112CO -0.05 0.02 -0.24 -0.07 1.06 0.00 0.00 176.91 177.63 3ikm h LEU 1113N 0.03 -0.58 -0.77 1.22 3.38 -1.44 -2.39 115.31 114.75 3ikm h LEU 1113Ca 0.52 0.02 0.18 0.00 0.09 0.00 0.00 57.88 58.69 3ikm h LEU 1113Cb 0.96 0.15 -0.13 0.00 0.09 0.00 0.00 40.66 41.73 3ikm h LEU 1113CO -0.88 -0.30 0.12 0.58 0.09 0.00 0.00 178.44 178.04 3ikm h VAL 1114N -0.90 0.40 -0.05 1.22 2.07 0.14 0.16 116.25 119.28 3ikm h VAL 1114Ca -0.07 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 3ikm h VAL 1114Cb 0.52 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 3ikm h VAL 1114CO 0.11 0.03 0.01 0.00 0.02 0.00 0.00 177.57 177.75 3ikm h ALA 1115N 1.69 0.07 0.23 1.67 0.00 -0.72 -0.99 119.26 121.20 3ikm h ALA 1115Ca 0.44 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 3ikm h ALA 1115Cb 0.81 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3ikm h ALA 1115CO -0.61 -0.32 -0.19 0.52 0.00 0.00 0.00 179.25 178.66 3ikm h MET 1116N -0.12 -0.42 -0.39 0.00 2.07 -0.75 0.69 114.93 116.01 3ikm h MET 1116Ca 0.02 0.03 0.08 0.00 -2.07 0.00 0.00 59.70 57.76 3ikm h MET 1116Cb 0.23 0.09 -0.08 0.00 -1.87 0.00 0.00 31.60 29.97 3ikm h MET 1116CO -0.00 -0.28 -0.14 0.87 1.07 0.00 0.00 176.91 178.44 3ikm h LYS 1117N -0.43 -0.05 -0.04 1.72 1.57 -0.76 0.50 116.57 119.08 3ikm h LYS 1117Ca -0.01 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3ikm h LYS 1117Cb 0.39 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.66 3ikm h LYS 1117CO -0.02 -0.03 -0.44 2.35 -0.57 0.00 0.00 179.45 180.74 3ikm h TRP 1118N -0.05 -1.31 -0.15 -1.35 -0.00 -0.40 -2.12 115.95 110.58 3ikm h TRP 1118Ca 0.19 0.04 -0.01 0.00 -0.00 0.00 0.00 58.89 59.11 3ikm h TRP 1118Cb 0.34 0.58 -0.01 0.00 -0.00 0.00 0.00 29.16 30.07 3ikm h TRP 1118CO -0.38 -0.46 0.04 -0.07 -0.00 0.00 0.00 178.44 177.57 3ikm h LEU 1119N -0.53 0.18 -0.06 0.65 3.38 0.15 -0.27 115.31 118.81 3ikm h LEU 1119Ca 0.01 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3ikm h LEU 1119Cb 0.58 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3ikm h LEU 1119CO -0.32 0.18 0.02 -0.26 0.09 0.00 0.00 178.44 178.15 3ikm h PHE 1120N 0.20 0.03 -0.63 1.13 -1.00 0.45 0.20 116.94 117.32 3ikm h PHE 1120Ca 0.05 0.00 0.13 0.00 2.81 0.00 0.00 57.97 60.96 3ikm h PHE 1120Cb 0.07 -0.00 -0.10 0.00 3.61 0.00 0.00 35.95 39.53 3ikm h PHE 1120CO 0.00 0.01 0.09 0.93 -1.61 0.00 0.00 178.31 177.73 3ikm h GLU 1121N 0.04 0.20 -3.45 1.51 5.08 -0.63 -2.62 114.58 114.72 3ikm h GLU 1121Ca 0.03 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 3ikm h GLU 1121Cb 0.02 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 3ikm h GLU 1121CO -0.03 0.13 0.88 0.39 -1.00 0.00 0.00 179.01 179.38 3ikm n GLU 1122N -5.19 0.27 -0.81 2.33 -0.58 0.70 -4.84 120.64 112.52 3ikm n GLU 1122Ca 0.10 -0.40 0.11 0.00 -0.42 0.00 0.00 57.16 56.55 3ikm n GLU 1122Cb 0.36 -1.83 -0.03 0.00 -0.57 0.00 0.00 31.44 29.37 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 3.99 -2.86 -1.55 -0.32 3.01 -0.99 -4.78 117.46 113.96 3ikm n PHE 1123Ca 0.06 1.01 -0.12 0.00 1.01 0.00 0.00 57.45 59.41 3ikm n PHE 1123Cb 0.05 -1.82 -0.04 0.00 -0.01 0.00 0.00 39.48 37.66 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 -1.47 -0.29 0.00 4.37 0.00 -1.26 -4.65 120.51 117.21 3ikm n ALA 1124Ca 0.01 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.62 3ikm n ALA 1124Cb 0.37 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 -2.09 0.00 0.00 0.00 0.00 -1.26 -4.88 119.36 111.14 3ikm n ILE 1125Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.63 3ikm n ILE 1125Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 39.64 40.08 3ikm n ILE 1125CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3ikm n ASP 1126N -0.52 0.00 0.00 9.51 9.92 -1.26 -4.75 116.55 129.45 3ikm n ASP 1126Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 3ikm n ASP 1126Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 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 0.00 -0.54 0.00 0.44 0.00 -1.18 -4.18 105.19 99.73 3ikm n GLY 1127Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.11 0.00 0.00 1.61 3.00 0.60 -4.90 116.66 116.86 3ikm n ARG 1128Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3ikm n ARG 1128Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 3ikm n ARG 1128CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3ikm n PHE 1129N 0.00 0.00 0.00 -0.14 7.35 -1.26 0.29 117.46 123.70 3ikm n PHE 1129Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3ikm n PHE 1129Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 3ikm n PHE 1129CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3ikm n ILE 1131N -1.50 0.00 -3.70 0.00 3.06 -1.25 -4.73 119.36 111.23 3ikm n ILE 1131Ca 0.00 0.00 -0.27 0.00 -2.50 0.00 0.00 62.75 59.98 3ikm n ILE 1131Cb 0.32 0.00 0.05 0.00 0.54 0.00 0.00 39.64 40.56 3ikm n ILE 1131CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 3ikm n SER 1132N 1.09 -5.70 -4.64 9.51 7.64 -1.20 -4.93 113.62 115.38 3ikm n SER 1132Ca 0.00 -0.63 -0.38 0.00 1.01 0.00 0.00 58.87 58.88 3ikm n SER 1132Cb 0.00 -4.52 -0.09 0.00 -1.01 0.00 0.00 64.21 58.60 3ikm n SER 1132CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 3ikm s ILE 1133N -3.30 5.25 0.00 0.44 -1.16 0.36 -4.92 121.20 117.87 3ikm s ILE 1133Ca 0.61 0.47 0.00 0.00 -0.51 0.00 0.00 60.65 61.22 3ikm s ILE 1133Cb -0.29 -3.64 0.00 0.00 0.61 0.00 0.00 42.46 39.15 3ikm s ILE 1133CO 0.75 0.25 0.00 1.41 -2.81 0.00 0.00 174.94 174.55 3ikm n HIS 1134N 4.70 0.00 -0.31 3.50 8.25 -1.26 0.32 115.22 130.42 3ikm n HIS 1134Ca -0.11 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.40 3ikm n HIS 1134Cb 0.51 0.00 0.11 0.00 1.12 0.00 0.00 29.99 31.73 3ikm n HIS 1134CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3ikm n ASP 1135N 7.66 2.62 -4.72 0.41 9.92 -1.26 -4.99 116.55 126.19 3ikm n ASP 1135Ca 0.00 -2.25 -0.32 0.00 -0.53 0.00 0.00 54.79 51.69 3ikm n ASP 1135Cb 0.00 -0.20 -0.08 0.00 -0.64 0.00 0.00 41.12 40.20 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 -1.44 2.87 -0.33 -1.24 8.01 0.97 -3.07 118.70 124.47 3ikm s GLU 1136Ca 0.18 -0.58 0.02 0.00 0.01 0.00 0.00 54.97 54.59 3ikm s GLU 1136Cb 0.12 -2.73 0.15 0.00 -4.31 0.00 0.00 34.13 27.36 3ikm s GLU 1136CO 0.07 0.63 0.37 0.08 0.01 0.00 0.00 175.26 176.41 3ikm s VAL 1137N -1.15 -0.44 -0.00 2.63 1.01 -1.13 0.13 120.40 121.46 3ikm s VAL 1137Ca 0.21 -0.66 -0.08 0.00 0.00 0.00 0.00 61.98 61.46 3ikm s VAL 1137Cb -0.12 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.40 3ikm s VAL 1137CO 0.12 -0.47 0.29 -0.13 0.00 0.00 0.00 175.10 174.91 3ikm s ARG 1138N 1.97 3.63 0.07 2.72 3.00 -1.26 -3.49 118.95 125.59 3ikm s ARG 1138Ca 0.13 0.03 0.05 0.00 0.00 0.00 0.00 55.73 55.93 3ikm s ARG 1138Cb -0.14 -3.10 -0.03 0.00 0.00 0.00 0.00 34.95 31.68 3ikm s ARG 1138CO -0.19 0.66 -0.14 0.71 0.00 0.00 0.00 175.30 176.35 3ikm s TYR 1139N -1.24 1.19 0.11 -0.53 1.51 0.28 -3.94 117.35 114.73 3ikm s TYR 1139Ca 0.26 -0.45 -0.03 0.00 -1.01 0.00 0.00 57.07 55.83 3ikm s TYR 1139Cb -0.14 -0.67 -0.05 0.00 -0.11 0.00 0.00 41.96 40.99 3ikm s TYR 1139CO 0.14 0.05 0.32 -1.17 -1.11 0.00 0.00 175.55 173.78 3ikm s LEU 1140N -1.68 4.30 0.05 -1.29 0.20 0.83 -0.27 118.68 120.83 3ikm s LEU 1140Ca -0.02 0.49 -0.08 0.00 0.69 0.00 0.00 54.13 55.21 3ikm s LEU 1140Cb -0.10 -3.18 -0.00 0.00 -0.43 0.00 0.00 46.19 42.48 3ikm s LEU 1140CO 0.02 0.09 0.17 -0.69 -0.29 0.00 0.00 176.35 175.66 3ikm s VAL 1141N -1.60 0.12 0.99 1.68 1.01 -0.23 0.22 120.40 122.59 3ikm s VAL 1141Ca 0.39 -1.02 -0.12 0.00 0.00 0.00 0.00 61.98 61.23 3ikm s VAL 1141Cb -0.12 -1.02 0.18 0.00 0.00 0.00 0.00 36.38 35.41 3ikm s VAL 1141CO 0.25 -0.56 1.09 -0.13 0.00 0.00 0.00 175.10 175.75 3ikm s ARG 1142N -2.91 0.53 0.07 2.72 1.81 -1.26 -1.64 118.95 118.27 3ikm s ARG 1142Ca -0.02 0.61 -0.25 0.00 -1.72 0.00 0.00 55.73 54.34 3ikm s ARG 1142Cb 0.01 -1.74 -0.16 0.00 -0.45 0.00 0.00 34.95 32.60 3ikm s ARG 1142CO -0.06 -2.69 1.63 0.93 -0.68 0.00 0.00 175.30 174.43 3ikm h GLU 1143N -1.86 -0.20 -7.07 3.54 3.07 -1.84 -3.34 114.58 106.87 3ikm h GLU 1143Ca -0.54 0.01 -0.40 0.00 -0.50 0.00 0.00 59.36 57.94 3ikm h GLU 1143Cb 1.32 0.05 0.21 0.00 -0.84 0.00 0.00 28.75 29.49 3ikm h GLU 1143CO 0.56 -0.07 -0.08 -1.83 -1.40 0.00 0.00 179.01 176.20 3ikm s GLU 1144N -5.84 -2.30 0.00 2.33 -1.05 -1.26 -2.30 118.70 108.28 3ikm s GLU 1144Ca -0.14 0.36 0.00 0.00 -0.15 0.00 0.00 54.97 55.03 3ikm s GLU 1144Cb 0.05 -1.43 0.00 0.00 -0.44 0.00 0.00 34.13 32.31 3ikm s GLU 1144CO 0.64 -4.52 0.00 -0.40 0.95 0.00 0.00 175.26 171.94 3ikm n ASP 1145N -5.41 -0.54 -0.06 0.83 5.75 -1.26 -4.50 116.55 111.36 3ikm n ASP 1145Ca 0.09 0.27 -0.04 0.00 -0.01 0.00 0.00 54.79 55.10 3ikm n ASP 1145Cb 0.58 -0.75 -0.15 0.00 -1.03 0.00 0.00 41.12 39.77 3ikm n ASP 1145CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3ikm n ARG 1146N -1.76 0.67 0.05 0.11 3.00 -0.97 -2.91 116.66 114.85 3ikm n ARG 1146Ca 0.00 -0.02 -0.21 0.00 -0.00 0.00 0.00 57.85 57.62 3ikm n ARG 1146Cb 0.27 -1.56 -0.12 0.00 0.00 0.00 0.00 32.46 31.05 3ikm n ARG 1146CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.63 179.51 3ikm h TYR 1147N 0.00 0.94 -0.10 -0.14 0.99 -1.79 -3.08 116.97 113.79 3ikm h TYR 1147Ca -0.36 -0.55 0.04 0.00 2.00 0.00 0.00 58.73 59.87 3ikm h TYR 1147Cb 1.85 -0.09 -0.06 0.00 1.00 0.00 0.00 36.73 39.43 3ikm h TYR 1147CO 0.00 1.38 -0.39 0.00 -0.00 0.00 0.00 178.16 179.15 3ikm h ARG 1148N 0.23 -0.47 -0.90 4.88 -0.00 -1.89 -0.87 114.38 115.36 3ikm h ARG 1148Ca -0.14 0.03 0.13 0.00 -0.50 0.00 0.00 59.98 59.49 3ikm h ARG 1148Cb 1.71 0.11 -0.07 0.00 0.00 0.00 0.00 29.97 31.71 3ikm h ARG 1148CO 0.20 -0.31 0.58 0.00 0.00 0.00 0.00 179.97 180.44 3ikm h ALA 1149N 0.17 1.73 -0.98 0.04 0.00 -1.58 -2.26 119.26 116.38 3ikm h ALA 1149Ca 0.07 0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.14 3ikm h ALA 1149Cb 0.61 -0.16 -0.15 0.00 0.00 0.00 0.00 17.79 18.09 3ikm h ALA 1149CO -0.37 0.04 -0.40 0.00 0.00 0.00 0.00 179.25 178.53 3ikm n ALA 1150N -2.41 -0.17 -0.02 0.00 0.00 -0.33 0.15 120.51 117.71 3ikm n ALA 1150Ca 0.17 0.96 -0.09 0.00 0.00 0.00 0.00 53.44 54.49 3ikm n ALA 1150Cb 0.40 -0.41 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3ikm n ALA 1150CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3ikm h LEU 1151N 0.00 -0.30 0.00 0.00 3.38 -1.42 -0.07 115.31 116.89 3ikm h LEU 1151Ca 0.32 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.36 3ikm h LEU 1151Cb 0.57 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3ikm h LEU 1151CO -0.97 -0.12 0.00 0.00 0.09 0.00 0.00 178.44 177.44 3ikm n ALA 1152N -2.47 -0.02 -0.11 1.53 0.00 0.39 0.76 120.51 120.60 3ikm n ALA 1152Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.29 3ikm n ALA 1152Cb 0.16 0.47 -0.09 0.00 0.00 0.00 0.00 19.45 19.99 3ikm n ALA 1152CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3ikm h LEU 1153N 0.00 -1.69 -0.03 0.00 7.12 -0.76 0.80 115.31 120.74 3ikm h LEU 1153Ca 0.00 0.22 0.00 0.00 0.13 0.00 0.00 57.88 58.23 3ikm h LEU 1153Cb 0.00 0.69 -0.00 0.00 -0.53 0.00 0.00 40.66 40.81 3ikm h LEU 1153CO 0.00 -0.38 -0.02 1.67 -0.13 0.00 0.00 178.44 179.58 3ikm n GLN 1154N -5.15 -0.01 -0.16 1.25 -0.06 -0.06 -0.84 117.38 112.34 3ikm n GLN 1154Ca -0.04 0.96 -0.02 0.00 -2.00 0.00 0.00 57.00 55.91 3ikm n GLN 1154Cb 0.32 -1.44 0.06 0.00 -4.06 0.00 0.00 30.24 25.12 3ikm n GLN 1154CO 0.00 0.00 0.00 0.82 -0.20 0.00 0.00 177.06 177.68 3ikm h ILE 1155N 0.00 0.64 -1.08 1.69 1.08 0.10 -0.50 117.51 119.44 3ikm h ILE 1155Ca 0.01 -0.05 0.29 0.00 -0.39 0.00 0.00 64.86 64.72 3ikm h ILE 1155Cb 0.01 0.47 -0.09 0.00 -3.07 0.00 0.00 36.82 34.15 3ikm h ILE 1155CO -0.03 0.03 0.72 0.74 -0.69 0.00 0.00 178.15 178.91 3ikm h THR 1156N 0.15 0.48 0.09 -0.27 2.02 0.26 0.15 112.91 115.79 3ikm h THR 1156Ca 0.26 -0.10 -0.28 0.00 0.77 0.00 0.00 66.41 67.05 3ikm h THR 1156Cb 0.38 0.16 0.02 0.00 -1.74 0.00 0.00 68.15 66.97 3ikm h THR 1156CO -0.40 0.05 -1.18 0.78 0.37 0.00 0.00 175.52 175.14 3ikm h ASN 1157N 0.29 0.78 -0.02 4.18 -0.26 0.26 -1.40 115.58 119.41 3ikm h ASN 1157Ca 0.60 -0.71 0.03 0.00 -0.56 0.00 0.00 56.30 55.67 3ikm h ASN 1157Cb 1.73 -0.24 -0.05 0.00 -1.06 0.00 0.00 38.32 38.69 3ikm h ASN 1157CO -0.24 1.52 -0.29 -0.07 -1.06 0.00 0.00 177.43 177.28 3ikm h LEU 1158N 0.26 -0.88 0.22 1.61 3.38 -0.45 0.61 115.31 120.05 3ikm h LEU 1158Ca -0.16 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3ikm h LEU 1158Cb 1.85 0.36 -0.04 0.00 0.09 0.00 0.00 40.66 42.92 3ikm h LEU 1158CO 0.22 -0.36 -0.51 -0.07 0.09 0.00 0.00 178.44 177.81 3ikm h LEU 1159N -0.43 -1.50 -0.41 1.67 3.38 -1.04 2.05 115.31 119.02 3ikm h LEU 1159Ca 0.07 0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.23 3ikm h LEU 1159Cb 0.53 0.54 -0.07 0.00 0.09 0.00 0.00 40.66 41.75 3ikm h LEU 1159CO -0.26 -0.57 -0.42 0.74 0.09 0.00 0.00 178.44 178.01 3ikm h THR 1160N -0.80 0.00 0.08 0.22 2.02 -0.65 0.96 112.91 114.74 3ikm h THR 1160Ca -0.02 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.18 3ikm h THR 1160Cb 0.77 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.13 3ikm h THR 1160CO -0.22 0.00 -0.49 0.03 0.37 0.00 0.00 175.52 175.21 3ikm h ARG 1161N -0.22 -0.67 -0.07 6.66 3.08 0.57 0.12 114.38 123.84 3ikm h ARG 1161Ca 0.07 0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.17 3ikm h ARG 1161Cb 0.41 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 3ikm h ARG 1161CO -0.51 -0.44 -0.04 0.00 -1.07 0.00 0.00 179.97 177.90 3ikm h MET 1163N -0.00 0.12 -0.42 0.00 1.85 0.13 -1.65 114.93 114.96 3ikm h MET 1163Ca 0.01 -0.01 0.05 0.00 -0.61 0.00 0.00 59.70 59.15 3ikm h MET 1163Cb 0.03 -0.03 -0.08 0.00 0.43 0.00 0.00 31.60 31.95 3ikm h MET 1163CO -0.06 0.08 -0.53 0.74 -0.40 0.00 0.00 176.91 176.73 3ikm h PHE 1164N 0.12 -1.62 -0.87 1.39 -1.00 0.43 -2.39 116.94 112.99 3ikm h PHE 1164Ca 0.54 0.08 0.17 0.00 2.81 0.00 0.00 57.97 61.57 3ikm h PHE 1164Cb 1.07 0.76 -0.10 0.00 3.61 0.00 0.00 35.95 41.29 3ikm h PHE 1164CO -0.36 -0.48 0.43 0.00 -1.61 0.00 0.00 178.31 176.29 3ikm h ALA 1165N 0.06 1.35 0.40 2.45 0.00 -1.21 -0.75 119.26 121.55 3ikm h ALA 1165Ca 0.09 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3ikm h ALA 1165Cb 0.60 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3ikm h ALA 1165CO -0.60 -0.17 -0.22 1.88 0.00 0.00 0.00 179.25 180.15 3ikm h TYR 1166N 0.56 -0.57 0.00 0.00 -1.99 -1.43 5.98 116.97 119.52 3ikm h TYR 1166Ca 0.50 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 61.22 3ikm h TYR 1166Cb 0.80 0.20 0.00 0.00 2.00 0.00 0.00 36.73 39.72 3ikm h TYR 1166CO -0.10 -0.34 0.00 1.63 -0.00 0.00 0.00 178.16 179.35 3ikm n LYS 1167N -5.35 0.00 -0.02 4.88 5.02 -1.04 -3.00 118.16 118.65 3ikm n LYS 1167Ca -0.11 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.18 3ikm n LYS 1167Cb 0.26 -0.77 -0.01 0.00 -0.02 0.00 0.00 35.03 34.49 3ikm n LYS 1167CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3ikm n LEU 1168N -0.39 -0.06 0.00 -0.35 4.77 -0.32 -4.17 117.00 116.48 3ikm n LEU 1168Ca 0.00 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 3ikm n LEU 1168Cb 0.00 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 3ikm n LEU 1168CO 0.00 -0.28 0.00 0.61 -1.33 0.00 0.00 177.39 176.39 3ikm n GLY 1169N -1.01 -0.41 0.00 -0.72 0.00 0.18 -4.95 105.19 98.27 3ikm n GLY 1169Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3ikm n GLY 1169CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3ikm n LEU 1170N -1.71 0.00 -0.75 0.99 -0.00 1.89 -4.87 117.00 112.55 3ikm n LEU 1170Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3ikm n LEU 1170Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3ikm n LEU 1170CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 177.39 177.98 3ikm n ASN 1171N 0.00 0.00 -3.64 1.45 3.02 -1.26 -4.65 115.26 110.18 3ikm n ASN 1171Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.53 3ikm n ASN 1171Cb 0.00 -0.42 -0.02 0.00 -0.61 0.00 0.00 39.78 38.73 3ikm n ASN 1171CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3ikm s ASP 1172N -0.75 -0.02 0.08 6.41 1.11 -1.26 -4.51 116.67 117.72 3ikm s ASP 1172Ca 0.00 0.00 -0.27 0.00 0.18 0.00 0.00 52.55 52.47 3ikm s ASP 1172Cb 0.00 0.02 0.08 0.00 1.07 0.00 0.00 42.92 44.09 3ikm s ASP 1172CO 0.00 -0.03 0.87 -0.76 1.18 0.00 0.00 175.17 176.43 3ikm s LEU 1173N -1.99 -0.33 0.80 1.23 1.43 -1.26 -4.76 118.68 113.81 3ikm s LEU 1173Ca 0.12 -0.15 -0.09 0.00 -1.03 0.00 0.00 54.13 52.97 3ikm s LEU 1173Cb -0.01 2.17 0.12 0.00 0.03 0.00 0.00 46.19 48.49 3ikm s LEU 1173CO -0.03 -0.78 1.13 -2.84 0.23 0.00 0.00 176.35 174.06 3ikm s PRO 1174N -3.28 1.58 -0.00 1.29 0.02 -1.26 -4.77 135.00 128.58 3ikm s PRO 1174Ca 0.07 -0.42 -0.08 0.00 0.02 0.00 0.00 61.00 60.59 3ikm s PRO 1174Cb -0.01 -2.07 -0.04 0.00 0.02 0.00 0.00 34.50 32.39 3ikm s PRO 1174CO -0.05 -1.69 0.69 -0.56 -0.33 0.00 0.00 177.00 175.06 3ikm h GLN 1175N -0.97 -0.28 -0.64 5.54 3.07 -1.79 -3.27 115.11 116.77 3ikm h GLN 1175Ca -0.43 0.02 0.08 0.00 0.09 0.00 0.00 58.65 58.41 3ikm h GLN 1175Cb 1.28 0.06 -0.09 0.00 0.08 0.00 0.00 27.48 28.81 3ikm h GLN 1175CO 0.50 -0.19 -0.30 -1.13 0.09 0.00 0.00 178.83 177.81 3ikm n SER 1176N -3.22 -0.51 0.39 0.06 3.41 -1.26 -0.09 113.62 112.40 3ikm n SER 1176Ca -0.04 1.13 -0.19 0.00 -0.26 0.00 0.00 58.87 59.52 3ikm n SER 1176Cb 0.11 -0.22 -0.09 0.00 -0.26 0.00 0.00 64.21 63.75 3ikm n SER 1176CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 3ikm h VAL 1177N 0.00 0.12 -0.17 -3.33 -1.51 -1.88 -3.23 116.25 106.25 3ikm h VAL 1177Ca 0.18 0.00 0.02 0.00 -1.23 0.00 0.00 66.70 65.67 3ikm h VAL 1177Cb 0.34 0.12 -0.02 0.00 -2.13 0.00 0.00 31.29 29.60 3ikm h VAL 1177CO -0.63 0.00 -0.10 0.00 -1.23 0.00 0.00 177.57 175.61 3ikm n ALA 1178N -2.67 -0.11 -1.46 5.19 0.00 0.88 0.08 120.51 122.42 3ikm n ALA 1178Ca -0.14 0.14 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 3ikm n ALA 1178Cb 0.46 0.03 0.03 0.00 0.00 0.00 0.00 19.45 19.96 3ikm n ALA 1178CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3ikm n PHE 1179N -3.55 2.49 0.00 0.00 3.72 -1.12 -4.46 117.46 114.54 3ikm n PHE 1179Ca 0.00 -2.39 0.00 0.00 -0.05 0.00 0.00 57.45 55.01 3ikm n PHE 1179Cb 0.04 -1.27 0.00 0.00 -0.94 0.00 0.00 39.48 37.31 3ikm n PHE 1179CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3ikm n PHE 1180N -0.18 0.00 0.00 1.38 3.72 0.11 -4.35 117.46 118.14 3ikm n PHE 1180Ca 0.51 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.91 3ikm n PHE 1180Cb 0.49 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 3ikm n PHE 1180CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3ikm n SER 1181N 1.01 0.03 0.00 4.37 3.41 -1.26 -4.81 113.62 116.37 3ikm n SER 1181Ca 0.00 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 3ikm n SER 1181Cb 0.00 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3ikm n SER 1181CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ikm n ALA 1182N -2.86 0.00 -2.65 7.33 0.00 -1.26 -4.72 120.51 116.35 3ikm n ALA 1182Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 3ikm n ALA 1182Cb 0.31 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.66 3ikm n ALA 1182CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ikm s VAL 1183N -2.00 5.33 -0.03 0.00 1.01 -1.26 -4.67 120.40 118.78 3ikm s VAL 1183Ca 0.00 0.17 -0.18 0.00 0.00 0.00 0.00 61.98 61.97 3ikm s VAL 1183Cb 0.00 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 3ikm s VAL 1183CO 0.00 0.33 0.51 -1.81 0.00 0.00 0.00 175.10 174.13 3ikm s ASP 1184N 1.17 6.85 -0.10 3.32 1.11 0.22 -2.94 116.67 126.29 3ikm s ASP 1184Ca 0.07 1.01 0.01 0.00 0.18 0.00 0.00 52.55 53.82 3ikm s ASP 1184Cb -0.14 -2.31 0.02 0.00 1.07 0.00 0.00 42.92 41.56 3ikm s ASP 1184CO 0.05 0.14 -0.12 -0.63 1.18 0.00 0.00 175.17 175.79 3ikm s ILE 1185N -0.23 1.27 -0.05 0.77 1.01 -1.25 -1.43 121.20 121.29 3ikm s ILE 1185Ca 0.27 -0.50 -0.31 0.00 0.00 0.00 0.00 60.65 60.11 3ikm s ILE 1185Cb -0.17 -1.19 0.11 0.00 0.01 0.00 0.00 42.46 41.22 3ikm s ILE 1185CO 0.14 0.40 1.09 -0.62 0.00 0.00 0.00 174.94 175.95 3ikm s ASP 1186N 1.10 -0.19 0.00 3.58 2.15 -1.23 -4.30 116.67 117.78 3ikm s ASP 1186Ca -0.05 -0.09 0.27 0.00 0.43 0.00 0.00 52.55 53.11 3ikm s ASP 1186Cb -0.14 0.27 0.94 0.00 -0.30 0.00 0.00 42.92 43.68 3ikm s ASP 1186CO -0.02 -0.46 1.68 0.54 -0.17 0.00 0.00 175.17 176.74 3ikm n ARG 1187N -0.27 1.23 -3.85 4.34 1.74 -1.26 -1.72 116.66 116.86 3ikm n ARG 1187Ca -0.05 -0.70 -0.22 0.00 -0.77 0.00 0.00 57.85 56.12 3ikm n ARG 1187Cb 0.60 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.52 3ikm n ARG 1187CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ikm n LEU 1189N -1.34 4.00 -4.01 0.00 7.99 -1.26 -4.93 117.00 117.45 3ikm n LEU 1189Ca -0.01 -5.58 -0.16 0.00 -0.01 0.00 0.00 56.01 50.25 3ikm n LEU 1189Cb 0.60 -0.44 -0.14 0.00 -0.11 0.00 0.00 43.42 43.34 3ikm n LEU 1189CO 0.43 2.31 -0.41 -0.60 -1.51 0.00 0.00 177.39 177.60 3ikm s ARG 1190N -3.21 0.53 -0.53 3.23 3.52 -1.26 -4.07 118.95 117.16 3ikm s ARG 1190Ca 0.47 -0.38 -0.28 0.00 -0.13 0.00 0.00 55.73 55.40 3ikm s ARG 1190Cb 0.27 -0.47 0.01 0.00 -1.56 0.00 0.00 34.95 33.20 3ikm s ARG 1190CO -0.12 0.12 1.49 0.21 -0.81 0.00 0.00 175.30 176.20 3ikm s LYS 1191N -0.55 3.26 0.00 5.12 2.20 -1.26 -3.82 119.74 124.69 3ikm s LYS 1191Ca -0.01 0.60 0.00 0.00 -0.36 0.00 0.00 55.97 56.21 3ikm s LYS 1191Cb -0.05 -4.15 0.00 0.00 -1.51 0.00 0.00 37.83 32.13 3ikm s LYS 1191CO 0.00 -1.98 0.00 -1.91 -0.36 0.00 0.00 175.35 171.10 3ikm n GLU 1192N 8.64 0.00 0.00 4.03 2.13 -1.26 -4.96 120.64 129.22 3ikm n GLU 1192Ca 0.15 0.09 0.00 0.00 0.66 0.00 0.00 57.16 58.06 3ikm n GLU 1192Cb 0.49 -0.31 0.00 0.00 0.27 0.00 0.00 31.44 31.89 3ikm n GLU 1192CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 3ikm n VAL 1193N -0.22 0.00 -0.26 6.31 0.24 -1.25 -2.09 118.33 121.05 3ikm n VAL 1193Ca 0.00 0.00 0.33 0.00 -2.04 0.00 0.00 64.34 62.63 3ikm n VAL 1193Cb 0.10 0.00 0.64 0.00 -1.47 0.00 0.00 33.84 33.11 3ikm n VAL 1193CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 3ikm h THR 1194N 0.00 0.15 0.00 3.34 1.35 -1.89 -3.27 112.91 112.59 3ikm h THR 1194Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3ikm h THR 1194Cb 0.00 0.21 0.00 0.00 -1.73 0.00 0.00 68.15 66.63 3ikm h THR 1194CO 0.00 0.00 0.00 0.80 -0.25 0.00 0.00 175.52 176.07 3ikm n MET 1195N -3.64 0.00 0.00 4.72 1.56 -0.89 -4.80 117.12 114.07 3ikm n MET 1195Ca 0.24 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.67 3ikm n MET 1195Cb 1.38 0.00 0.00 0.00 2.15 0.00 0.00 33.22 36.75 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 -1.72 0.00 -3.78 6.12 3.85 -1.23 -4.74 116.55 115.05 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 0.00 0.01 0.00 -1.35 0.00 0.00 41.12 39.78 3ikm n ASP 1196CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3ikm s LYS 1198N -5.35 4.23 0.02 0.00 2.47 -1.26 -4.52 119.74 115.33 3ikm s LYS 1198Ca 0.13 1.78 0.00 0.00 -1.56 0.00 0.00 55.97 56.32 3ikm s LYS 1198Cb -0.07 -2.79 0.00 0.00 -1.46 0.00 0.00 37.83 33.51 3ikm s LYS 1198CO 0.90 -0.15 0.00 0.25 0.16 0.00 0.00 175.35 176.51 3ikm n THR 1199N 0.35 -2.81 0.00 3.43 -2.24 -1.26 -4.81 114.28 106.94 3ikm n THR 1199Ca 0.03 0.33 0.00 0.00 -2.27 0.00 0.00 64.05 62.14 3ikm n THR 1199Cb 0.46 -2.12 0.00 0.00 -2.10 0.00 0.00 70.33 66.57 3ikm n THR 1199CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3ikm n PRO 1200N 0.07 0.00 -0.47 -0.78 -0.04 -0.76 -4.66 135.00 128.36 3ikm n PRO 1200Ca 0.00 0.00 0.40 0.00 -0.04 0.00 0.00 63.50 63.86 3ikm n PRO 1200Cb 0.00 0.00 0.72 0.00 -0.04 0.00 0.00 33.50 34.18 3ikm n PRO 1200CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3ikm h SER 1201N 0.00 0.12 -3.47 3.54 4.64 -1.76 -2.93 113.55 113.69 3ikm h SER 1201Ca 0.00 0.05 -0.33 0.00 -0.47 0.00 0.00 61.79 61.04 3ikm h SER 1201Cb 0.00 0.04 -0.35 0.00 -0.31 0.00 0.00 62.40 61.78 3ikm h SER 1201CO 0.00 -0.05 -0.74 0.21 -0.87 0.00 0.00 176.83 175.38 3ikm s ASN 1202N -4.59 0.42 -0.01 4.97 2.47 -1.26 -3.98 114.94 112.96 3ikm s ASN 1202Ca -0.06 0.01 -0.22 0.00 0.42 0.00 0.00 52.86 53.00 3ikm s ASN 1202Cb 0.26 -0.16 -0.05 0.00 -1.45 0.00 0.00 41.25 39.85 3ikm s ASN 1202CO 0.84 -0.13 0.66 -2.16 -3.72 0.00 0.00 177.10 172.58 3ikm s PRO 1203N 1.21 4.39 -0.38 0.43 0.04 -1.11 0.10 135.00 139.68 3ikm s PRO 1203Ca -0.07 0.84 0.13 0.00 0.04 0.00 0.00 61.00 61.93 3ikm s PRO 1203Cb -0.13 -3.38 0.39 0.00 0.04 0.00 0.00 34.50 31.43 3ikm s PRO 1203CO -0.02 0.26 0.87 2.41 0.04 0.00 0.00 177.00 180.56 3ikm n THR 1204N 3.05 0.87 -0.10 1.26 -1.04 -1.21 -4.28 114.28 112.83 3ikm n THR 1204Ca -0.04 -4.21 -0.10 0.00 -2.04 0.00 0.00 64.05 57.66 3ikm n THR 1204Cb 0.51 -0.17 -0.16 0.00 -1.82 0.00 0.00 70.33 68.69 3ikm n THR 1204CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ikm n GLY 1205N 0.03 -0.98 0.00 3.41 0.00 -1.26 -4.88 105.19 101.51 3ikm n GLY 1205Ca 0.21 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3ikm n GLY 1205CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3ikm n MET 1206N -2.75 0.00 -1.72 1.61 0.00 -1.26 -3.15 117.12 109.85 3ikm n MET 1206Ca -0.33 0.00 -0.01 0.00 0.00 0.00 0.00 57.70 57.37 3ikm n MET 1206Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 33.22 34.37 3ikm n MET 1206CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 3ikm n GLU 1207N 0.26 -0.22 0.00 2.12 1.02 -1.26 -4.63 120.64 117.93 3ikm n GLU 1207Ca 0.00 0.47 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 3ikm n GLU 1207Cb 0.00 -2.08 0.00 0.00 -0.02 0.00 0.00 31.44 29.34 3ikm n GLU 1207CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3ikm n ARG 1208N -1.30 0.00 -0.08 3.49 0.63 -1.24 -4.61 116.66 113.55 3ikm n ARG 1208Ca -0.00 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.91 3ikm n ARG 1208Cb 0.51 0.00 0.22 0.00 0.45 0.00 0.00 32.46 33.64 3ikm n ARG 1208CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 3ikm h ARG 1209N 0.00 0.72 0.00 -0.14 9.65 -1.80 -3.45 114.38 119.35 3ikm h ARG 1209Ca 0.00 -0.15 0.03 0.00 -1.10 0.00 0.00 59.98 58.76 3ikm h ARG 1209Cb 0.00 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.47 3ikm h ARG 1209CO 0.00 0.68 -0.05 0.66 2.80 0.00 0.00 179.97 184.07 3ikm n TYR 1210N -4.27 -1.90 0.00 2.20 4.01 -1.26 -4.86 117.16 111.08 3ikm n TYR 1210Ca 0.03 0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.93 3ikm n TYR 1210Cb 0.24 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 3ikm n TYR 1210CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ikm n GLY 1211N -0.40 0.03 0.00 2.72 0.00 -1.26 -4.67 105.19 101.61 3ikm n GLY 1211Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 -1.40 -0.61 -0.00 -1.26 -5.00 119.36 111.09 3ikm n ILE 1212Ca 0.00 0.39 0.00 0.00 -0.00 0.00 0.00 62.75 63.14 3ikm n ILE 1212Cb 0.00 -0.99 0.00 0.00 -0.00 0.00 0.00 39.64 38.65 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 -0.16 -1.97 0.00 0.38 -0.02 -1.26 -5.07 135.00 126.91 3ikm n PRO 1213Ca 0.00 1.73 0.00 0.00 -2.02 0.00 0.00 63.50 63.21 3ikm n PRO 1213Cb 0.00 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 3ikm n PRO 1213CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ikm n GLN 1214N 0.69 0.00 -4.70 -0.52 -0.00 -1.26 -5.04 117.38 106.55 3ikm n GLN 1214Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 57.00 56.75 3ikm n GLN 1214Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 30.24 30.08 3ikm n GLN 1214CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 3ikm s GLY 1215N 0.00 0.82 1.09 2.61 0.00 -1.26 -4.87 107.32 105.71 3ikm s GLY 1215Ca 0.00 -0.56 -0.13 0.00 0.00 0.00 0.00 44.72 44.02 3ikm s GLY 1215CO 0.00 -0.20 1.07 -1.83 0.00 0.00 0.00 173.10 172.14 3ikm s GLU 1216N 0.20 -0.33 -0.23 2.90 -1.05 -1.26 -4.45 118.70 114.49 3ikm s GLU 1216Ca -0.06 0.53 -0.08 0.00 -0.15 0.00 0.00 54.97 55.21 3ikm s GLU 1216Cb -0.12 -1.65 -0.04 0.00 -0.44 0.00 0.00 34.13 31.89 3ikm s GLU 1216CO 0.02 -3.25 0.09 0.00 0.95 0.00 0.00 175.26 173.07 3ikm s ALA 1217N -2.79 3.34 0.49 -0.84 0.00 -1.26 -3.83 121.76 116.88 3ikm s ALA 1217Ca 0.67 -0.95 0.23 0.00 0.00 0.00 0.00 51.96 51.90 3ikm s ALA 1217Cb -0.20 -2.09 1.28 0.00 0.00 0.00 0.00 23.12 22.12 3ikm s ALA 1217CO 0.60 -0.21 1.95 -0.07 0.00 0.00 0.00 175.76 178.04 3ikm h LEU 1218N 7.58 0.14 0.00 0.00 4.07 -1.91 -3.43 115.31 121.76 3ikm h LEU 1218Ca -0.37 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.60 3ikm h LEU 1218Cb 1.17 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.90 3ikm h LEU 1218CO 0.63 0.07 0.00 0.47 -1.08 0.00 0.00 178.44 178.53 3ikm n ASP 1219N -4.40 0.00 -0.09 -0.43 9.92 -1.26 -4.30 116.55 115.98 3ikm n ASP 1219Ca 0.13 0.00 -0.21 0.00 -0.53 0.00 0.00 54.79 54.18 3ikm n ASP 1219Cb 0.63 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.98 3ikm n ASP 1219CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 3ikm n ILE 1220N -0.05 1.58 0.14 0.53 -0.00 -1.26 -3.89 119.36 116.41 3ikm n ILE 1220Ca 0.00 -0.54 -0.13 0.00 -0.00 0.00 0.00 62.75 62.07 3ikm n ILE 1220Cb 0.00 -1.60 -0.07 0.00 -0.00 0.00 0.00 39.64 37.98 3ikm n ILE 1220CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.55 178.43 3ikm h TYR 1221N -0.15 -0.42 0.22 1.39 -1.99 -1.96 -2.89 116.97 111.16 3ikm h TYR 1221Ca -0.54 -0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.18 3ikm h TYR 1221Cb 1.87 0.16 -0.00 0.00 2.00 0.00 0.00 36.73 40.76 3ikm h TYR 1221CO 0.03 -0.25 -0.16 1.96 -0.00 0.00 0.00 178.16 179.74 3ikm h GLN 1222N -0.37 -0.36 -0.89 4.88 4.20 -1.78 -3.05 115.11 117.74 3ikm h GLN 1222Ca -0.01 0.02 0.16 0.00 0.06 0.00 0.00 58.65 58.88 3ikm h GLN 1222Cb 0.34 0.08 -0.15 0.00 0.30 0.00 0.00 27.48 28.04 3ikm h GLN 1222CO -0.02 -0.24 -0.30 1.51 -0.67 0.00 0.00 178.83 179.12 3ikm n ILE 1223N -3.29 -0.43 -0.18 2.54 0.00 -1.24 0.13 119.36 116.89 3ikm n ILE 1223Ca -0.04 2.07 0.09 0.00 0.00 0.00 0.00 62.75 64.87 3ikm n ILE 1223Cb 0.16 -2.79 0.39 0.00 0.00 0.00 0.00 39.64 37.39 3ikm n ILE 1223CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 176.55 176.26 3ikm h ILE 1224N 0.00 0.95 -0.67 9.51 -0.00 -1.47 -2.42 117.51 123.41 3ikm h ILE 1224Ca 0.36 -0.23 0.09 0.00 -0.00 0.00 0.00 64.86 65.08 3ikm h ILE 1224Cb 0.58 0.22 -0.07 0.00 -0.00 0.00 0.00 36.82 37.55 3ikm h ILE 1224CO -0.90 0.12 0.32 -0.33 -0.00 0.00 0.00 178.15 177.36 3ikm h GLU 1225N 0.67 0.54 -0.07 2.19 4.39 0.12 0.99 114.58 123.42 3ikm h GLU 1225Ca 0.34 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.90 3ikm h GLU 1225Cb 0.43 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 3ikm h GLU 1225CO -0.12 0.36 -0.36 -0.07 -1.16 0.00 0.00 179.01 177.65 3ikm h LEU 1226N 0.55 0.44 -0.26 1.33 -0.00 -1.42 -3.31 115.31 112.64 3ikm h LEU 1226Ca 0.33 -0.66 -0.21 0.00 -0.00 0.00 0.00 57.88 57.34 3ikm h LEU 1226Cb 0.35 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 40.88 3ikm h LEU 1226CO -0.27 1.02 -0.82 0.71 -0.00 0.00 0.00 178.44 179.08 3ikm h THR 1227N -0.12 1.36 -5.71 0.22 1.35 -1.35 -3.46 112.91 105.20 3ikm h THR 1227Ca -0.03 -2.21 0.00 0.00 -0.55 0.00 0.00 66.41 63.63 3ikm h THR 1227Cb 1.02 2.20 -0.05 0.00 -1.73 0.00 0.00 68.15 69.58 3ikm h THR 1227CO 0.07 0.67 -0.62 0.29 -0.25 0.00 0.00 175.52 175.69 3ikm n LYS 1228N -3.83 -2.58 -4.02 4.72 4.76 0.34 -3.91 118.16 113.65 3ikm n LYS 1228Ca -0.06 2.10 -0.30 0.00 -2.87 0.00 0.00 58.31 57.18 3ikm n LYS 1228Cb 0.76 -2.45 -0.01 0.00 -1.84 0.00 0.00 35.03 31.50 3ikm n LYS 1228CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ikm n GLY 1229N 2.23 -0.36 7.00 0.72 0.00 -1.26 -4.80 105.19 108.72 3ikm n GLY 1229Ca -0.17 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3ikm n GLY 1229CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ikm n SER 1230N -2.85 0.00 -0.96 1.61 7.64 -1.25 -4.94 113.62 112.88 3ikm n SER 1230Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.78 3ikm n SER 1230Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 3ikm n SER 1230CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3ikm n LEU 1231N 0.00 0.00 0.00 -3.43 7.94 -1.26 -4.27 117.00 115.98 3ikm n LEU 1231Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3ikm n LEU 1231Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3ikm n LEU 1231CO 0.00 0.00 0.00 -0.62 -1.11 0.00 0.00 177.39 175.66 3ikm n GLU 1232N 0.00 0.00 -0.00 1.96 1.02 -1.26 -4.80 120.64 117.55 3ikm n GLU 1232Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3ikm n GLU 1232Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3ikm n GLU 1232CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3ikm n LYS 1233N 0.00 0.00 0.02 3.49 2.85 -1.26 -4.03 118.16 119.23 3ikm n LYS 1233Ca 0.00 -0.36 -0.19 0.00 -1.05 0.00 0.00 58.31 56.72 3ikm n LYS 1233Cb 0.00 -0.35 -0.14 0.00 -0.65 0.00 0.00 35.03 33.88 3ikm n LYS 1233CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 177.40 177.42 3ikm h ARG 1234N 0.00 0.22 -0.76 -1.58 0.11 -1.91 -3.38 114.38 107.09 3ikm h ARG 1234Ca 0.00 -0.38 0.02 0.00 0.10 0.00 0.00 59.98 59.72 3ikm h ARG 1234Cb 1.00 0.14 -0.04 0.00 1.11 0.00 0.00 29.97 32.18 3ikm h ARG 1234CO 0.00 1.18 0.49 1.03 0.10 0.00 0.00 179.97 182.77 3ikm h SER 1235N -0.52 0.82 0.00 0.08 0.87 -1.88 -3.44 113.55 109.47 3ikm h SER 1235Ca -0.12 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 3ikm h SER 1235Cb 1.49 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 3ikm h SER 1235CO 0.11 0.57 0.00 0.00 -0.53 0.00 0.00 176.83 176.98 3ikm n GLN 1236N -4.60 0.00 -1.77 2.24 3.00 -1.26 -4.88 117.38 110.11 3ikm n GLN 1236Ca 0.08 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.72 3ikm n GLN 1236Cb 0.06 0.00 0.06 0.00 0.00 0.00 0.00 30.24 30.36 3ikm n GLN 1236CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 3ikm s PRO 1237N 0.00 2.66 0.00 -1.09 0.04 -1.26 -4.66 135.00 130.69 3ikm s PRO 1237Ca 0.00 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.77 3ikm s PRO 1237Cb 0.00 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.64 3ikm s PRO 1237CO 0.00 -1.43 0.00 0.41 0.04 0.00 0.00 177.00 176.02 3ikm n GLY 1238N 0.29 2.37 0.00 0.56 0.00 -1.26 -5.21 105.19 101.93 3ikm n GLY 1238Ca 0.13 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.58 3ikm n GLY 1238CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27