#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iak n THR 86 N 0.00 0.99 0.00 2.03 5.66 -1.26 -4.18 114.28 117.52 3iak n THR 86 Ca 0.00 0.29 0.00 0.00 -3.05 0.00 0.00 64.05 61.29 3iak n THR 86 Cb 0.00 -1.62 0.00 0.00 -1.55 0.00 0.00 70.33 67.16 3iak n THR 86 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 3iak n GLU 87 N -3.44 0.00 0.00 1.09 4.07 -1.26 -4.85 120.64 116.25 3iak n GLU 87 Ca -0.03 0.00 0.11 0.00 -0.06 0.00 0.00 57.16 57.18 3iak n GLU 87 Cb 0.10 0.00 0.09 0.00 -0.06 0.00 0.00 31.44 31.57 3iak n GLU 87 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 3iak n GLN 88 N -0.90 0.03 -0.07 5.31 7.27 -1.26 -4.52 117.38 123.24 3iak n GLN 88 Ca 0.00 -0.00 -0.09 0.00 0.07 0.00 0.00 57.00 56.98 3iak n GLN 88 Cb 0.00 -1.51 -0.07 0.00 2.41 0.00 0.00 30.24 31.07 3iak n GLN 88 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 3iak h GLU 89 N 0.00 0.00 -5.86 3.69 5.08 -1.89 -3.40 114.58 112.19 3iak h GLU 89 Ca 0.00 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.90 3iak h GLU 89 Cb 0.53 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.70 3iak h GLU 89 CO 0.00 0.56 1.22 0.16 -1.00 0.00 0.00 179.01 179.95 3iak s ASP 90 N -6.02 5.85 0.41 1.42 3.84 -1.26 -4.78 116.67 116.13 3iak s ASP 90 Ca -0.13 -1.26 0.18 0.00 -0.00 0.00 0.00 52.55 51.34 3iak s ASP 90 Cb -0.00 -2.57 0.91 0.00 -1.38 0.00 0.00 42.92 39.88 3iak s ASP 90 CO 0.40 -2.13 1.87 0.58 -0.00 0.00 0.00 175.17 175.90 3iak h VAL 91 N 6.80 0.98 0.12 2.11 2.07 -1.89 -2.97 116.25 123.48 3iak h VAL 91 Ca 0.19 -1.11 0.02 0.00 0.82 0.00 0.00 66.70 66.61 3iak h VAL 91 Cb 0.99 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 32.36 3iak h VAL 91 CO 1.32 0.29 -0.28 0.25 0.02 0.00 0.00 177.57 179.18 3iak h LEU 92 N 0.00 -0.80 -1.15 2.57 5.85 -1.91 -0.41 115.31 119.46 3iak h LEU 92 Ca -0.00 0.09 0.14 0.00 0.84 0.00 0.00 57.88 58.95 3iak h LEU 92 Cb 0.62 0.30 -0.08 0.00 0.37 0.00 0.00 40.66 41.87 3iak h LEU 92 CO 0.04 -0.37 0.60 0.00 -0.34 0.00 0.00 178.44 178.37 3iak h ALA 93 N 0.22 1.70 -0.33 1.25 0.00 -1.94 -0.28 119.26 119.88 3iak h ALA 93 Ca 0.03 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 3iak h ALA 93 Cb 0.52 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3iak h ALA 93 CO -0.16 0.04 -0.22 -0.22 0.00 0.00 0.00 179.25 178.70 3iak h LYS 94 N 0.82 0.72 -0.24 0.00 1.63 -1.37 -3.07 116.57 115.07 3iak h LYS 94 Ca 0.48 -0.34 -0.13 0.00 -0.85 0.00 0.00 60.65 59.81 3iak h LYS 94 Cb 0.65 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.26 3iak h LYS 94 CO -0.25 0.95 -0.40 0.93 -3.45 0.00 0.00 179.45 177.23 3iak h GLU 95 N 0.49 0.56 0.00 1.90 4.39 -0.63 -2.96 114.58 118.32 3iak h GLU 95 Ca 0.07 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.48 3iak h GLU 95 Cb 0.77 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 3iak h GLU 95 CO 0.06 0.86 0.00 1.28 -1.16 0.00 0.00 179.01 180.05 3iak n LEU 96 N -4.03 0.00 0.18 1.33 4.77 -0.16 -1.70 117.00 117.40 3iak n LEU 96 Ca -0.02 0.16 0.12 0.00 -0.03 0.00 0.00 56.01 56.24 3iak n LEU 96 Cb 0.51 -0.16 0.11 0.00 -2.33 0.00 0.00 43.42 41.56 3iak n LEU 96 CO 0.45 -0.11 0.53 -0.33 -1.33 0.00 0.00 177.39 176.60 3iak h GLU 97 N 0.00 0.00 -0.33 3.23 5.08 -1.49 -3.25 114.58 117.83 3iak h GLU 97 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3iak h GLU 97 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3iak h GLU 97 CO 0.00 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.76 3iak n ASP 98 N -2.94 1.33 0.11 1.42 9.92 -0.69 -4.31 116.55 121.40 3iak n ASP 98 Ca 0.03 -2.05 0.07 0.00 -0.53 0.00 0.00 54.79 52.31 3iak n ASP 98 Cb 0.54 -0.21 0.53 0.00 -0.64 0.00 0.00 41.12 41.34 3iak n ASP 98 CO 0.00 0.00 0.00 1.62 0.13 0.00 0.00 177.20 178.95 3iak h VAL 99 N 1.21 1.04 -0.00 2.53 3.04 -1.74 -2.15 116.25 120.18 3iak h VAL 99 Ca 0.00 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.59 3iak h VAL 99 Cb 0.39 0.73 0.00 0.00 -2.01 0.00 0.00 31.29 30.40 3iak h VAL 99 CO 0.02 0.05 -0.06 0.59 -1.01 0.00 0.00 177.57 177.17 3iak n ASN 100 N -4.50 0.44 -4.50 3.17 3.02 -1.26 -4.81 115.26 106.81 3iak n ASN 100 Ca 0.01 -0.75 -0.32 0.00 -0.03 0.00 0.00 54.58 53.49 3iak n ASN 100 Cb 0.10 -0.07 -0.12 0.00 -0.61 0.00 0.00 39.78 39.08 3iak n ASN 100 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3iak s LYS 101 N -2.31 2.38 -0.31 3.52 1.02 -0.81 -4.86 119.74 118.37 3iak s LYS 101 Ca 0.35 -0.80 -0.29 0.00 0.02 0.00 0.00 55.97 55.25 3iak s LYS 101 Cb 0.21 -2.35 -0.01 0.00 -0.52 0.00 0.00 37.83 35.16 3iak s LYS 101 CO 0.43 0.59 1.54 -0.46 -0.92 0.00 0.00 175.35 176.53 3iak s TRP 102 N -0.87 2.23 0.00 3.18 -0.11 -1.26 -3.06 118.94 119.04 3iak s TRP 102 Ca 0.14 0.65 0.00 0.00 1.22 0.00 0.00 56.10 58.11 3iak s TRP 102 Cb -0.11 -4.10 0.00 0.00 -1.50 0.00 0.00 33.47 27.76 3iak s TRP 102 CO 0.04 -2.45 0.00 0.41 -4.62 0.00 0.00 176.95 170.33 3iak n GLY 103 N 4.89 1.55 3.60 5.86 0.00 -1.26 -4.94 105.19 114.89 3iak n GLY 103 Ca 0.18 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.71 3iak n GLY 103 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3iak n LEU 104 N 0.00 1.81 -4.56 0.99 7.94 -1.17 -4.86 117.00 117.15 3iak n LEU 104 Ca 0.00 1.13 -0.37 0.00 -1.11 0.00 0.00 56.01 55.66 3iak n LEU 104 Cb 0.00 -1.24 -0.04 0.00 0.53 0.00 0.00 43.42 42.68 3iak n LEU 104 CO 0.00 -1.07 1.46 -2.28 -1.11 0.00 0.00 177.39 174.39 3iak s HIS 105 N 0.16 2.34 0.26 1.96 5.65 -1.26 -4.80 115.29 119.59 3iak s HIS 105 Ca 0.77 -0.46 0.03 0.00 0.25 0.00 0.00 55.06 55.66 3iak s HIS 105 Cb -0.86 -4.52 0.32 0.00 -1.18 0.00 0.00 32.58 26.34 3iak s HIS 105 CO 0.49 -1.88 1.63 -0.24 -0.65 0.00 0.00 174.74 174.09 3iak h VAL 106 N 6.89 1.32 -0.65 0.89 3.04 -1.99 -2.40 116.25 123.35 3iak h VAL 106 Ca 0.18 -1.61 -0.08 0.00 -1.01 0.00 0.00 66.70 64.17 3iak h VAL 106 Cb 1.00 1.68 -0.03 0.00 -2.01 0.00 0.00 31.29 31.94 3iak h VAL 106 CO 1.37 0.49 0.08 -0.26 -1.01 0.00 0.00 177.57 178.25 3iak h PHE 107 N 0.30 1.16 -0.17 3.17 0.04 -1.96 0.22 116.94 119.69 3iak h PHE 107 Ca 0.02 -0.17 -0.01 0.00 2.80 0.00 0.00 57.97 60.62 3iak h PHE 107 Cb 0.90 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.73 3iak h PHE 107 CO 0.02 0.98 0.09 -0.09 -0.60 0.00 0.00 178.31 178.71 3iak h ARG 108 N 1.01 0.24 -0.94 1.51 9.65 -1.93 -1.61 114.38 122.32 3iak h ARG 108 Ca 0.20 -0.03 0.01 0.00 -1.10 0.00 0.00 59.98 59.05 3iak h ARG 108 Cb 0.46 -0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 28.95 3iak h ARG 108 CO 0.02 0.27 0.62 0.82 2.80 0.00 0.00 179.97 184.50 3iak h ILE 109 N 0.16 1.24 -0.63 1.20 2.04 -1.17 -0.14 117.51 120.20 3iak h ILE 109 Ca 0.06 -0.43 0.07 0.00 1.00 0.00 0.00 64.86 65.55 3iak h ILE 109 Cb 0.11 -0.14 -0.06 0.00 -0.74 0.00 0.00 36.82 35.99 3iak h ILE 109 CO -0.01 0.23 0.32 0.00 0.00 0.00 0.00 178.15 178.70 3iak h ALA 110 N 1.34 0.84 -0.10 1.87 0.00 -0.29 -0.54 119.26 122.39 3iak h ALA 110 Ca 0.34 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.22 3iak h ALA 110 Cb -0.14 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3iak h ALA 110 CO -0.08 -0.04 -0.20 1.49 0.00 0.00 0.00 179.25 180.43 3iak h GLU 111 N 0.59 0.31 0.00 0.00 4.81 -0.65 0.10 114.58 119.74 3iak h GLU 111 Ca 0.29 -0.20 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 3iak h GLU 111 Cb 0.24 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 3iak h GLU 111 CO -0.21 0.80 -0.26 -0.07 -0.73 0.00 0.00 179.01 178.54 3iak h LEU 112 N -0.14 0.00 -0.15 1.64 3.38 -0.91 -2.85 115.31 116.28 3iak h LEU 112 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iak h LEU 112 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3iak h LEU 112 CO 0.05 0.26 -0.27 -1.54 0.09 0.00 0.00 178.44 177.02 3iak n SER 113 N -3.51 0.51 -0.48 -0.43 3.41 -0.22 -4.91 113.62 107.99 3iak n SER 113 Ca -0.00 -0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.28 3iak n SER 113 Cb 0.42 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 3iak n SER 113 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iak n GLY 114 N 1.42 0.79 3.68 5.00 0.00 -1.07 -3.91 105.19 111.10 3iak n GLY 114 Ca 0.09 -0.43 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 3iak n GLY 114 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3iak n ASN 115 N 0.43 -2.68 -2.66 1.61 5.15 0.35 -4.96 115.26 112.50 3iak n ASN 115 Ca 0.00 -0.74 -0.09 0.00 -0.60 0.00 0.00 54.58 53.15 3iak n ASN 115 Cb 0.35 -4.33 0.03 0.00 -0.53 0.00 0.00 39.78 35.31 3iak n ASN 115 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3iak n ARG 116 N -4.42 1.69 -0.18 1.20 5.12 -1.25 -4.95 116.66 113.87 3iak n ARG 116 Ca -0.19 -3.50 -0.05 0.00 -1.93 0.00 0.00 57.85 52.18 3iak n ARG 116 Cb 0.63 -1.51 0.13 0.00 -1.16 0.00 0.00 32.46 30.55 3iak n ARG 116 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3iak h PRO 117 N 2.79 0.96 -0.64 5.56 0.13 -1.81 -3.14 132.00 135.84 3iak h PRO 117 Ca -0.05 -0.21 -0.02 0.00 -0.87 0.00 0.00 66.00 64.86 3iak h PRO 117 Cb 1.21 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 32.17 3iak h PRO 117 CO 0.44 0.85 0.34 1.25 -0.23 0.00 0.00 178.00 180.66 3iak h LEU 118 N 0.92 0.81 -0.08 1.56 5.85 -1.93 -1.66 115.31 120.79 3iak h LEU 118 Ca 0.20 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 3iak h LEU 118 Cb 0.32 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 3iak h LEU 118 CO -0.00 0.68 0.03 0.74 -0.34 0.00 0.00 178.44 179.55 3iak h THR 119 N 0.88 1.15 -0.13 1.05 2.02 -1.83 -1.81 112.91 114.24 3iak h THR 119 Ca 0.23 -0.45 -0.17 0.00 0.77 0.00 0.00 66.41 66.78 3iak h THR 119 Cb 0.06 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 3iak h THR 119 CO -0.03 0.13 -0.63 -0.37 0.37 0.00 0.00 175.52 174.98 3iak h VAL 120 N -0.05 1.35 -0.13 3.16 -1.51 -1.48 -1.77 116.25 115.82 3iak h VAL 120 Ca 0.03 -1.95 -0.22 0.00 -1.23 0.00 0.00 66.70 63.32 3iak h VAL 120 Cb 0.18 1.93 0.01 0.00 -2.13 0.00 0.00 31.29 31.28 3iak h VAL 120 CO -0.00 0.59 -0.80 0.40 -1.23 0.00 0.00 177.57 176.53 3iak h ILE 121 N 0.34 1.29 0.08 7.19 2.04 -1.36 -2.10 117.51 124.99 3iak h ILE 121 Ca -0.01 -2.02 -0.00 0.00 1.00 0.00 0.00 64.86 63.83 3iak h ILE 121 Cb 1.18 2.03 0.00 0.00 -0.74 0.00 0.00 36.82 39.29 3iak h ILE 121 CO 0.11 0.64 -0.04 0.24 0.00 0.00 0.00 178.15 179.10 3iak h MET 122 N 0.50 -0.10 -0.47 2.37 2.86 -1.26 -1.56 114.93 117.28 3iak h MET 122 Ca -0.06 0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 3iak h MET 122 Cb 1.42 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 33.08 3iak h MET 122 CO 0.16 -0.03 0.12 1.25 1.06 0.00 0.00 176.91 179.46 3iak h HIS 123 N -0.15 0.71 0.28 -0.22 -0.00 -1.34 0.13 115.15 114.55 3iak h HIS 123 Ca -0.01 -0.05 -0.01 0.00 -0.00 0.00 0.00 60.37 60.29 3iak h HIS 123 Cb 0.12 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 27.32 3iak h HIS 123 CO -0.06 0.60 -0.13 1.15 -0.00 0.00 0.00 177.93 179.49 3iak h THR 124 N 0.68 0.75 -0.87 6.26 2.02 -1.29 -1.43 112.91 119.04 3iak h THR 124 Ca 0.15 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.10 3iak h THR 124 Cb 0.25 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 67.51 3iak h THR 124 CO -0.00 0.05 0.55 0.40 0.37 0.00 0.00 175.52 176.89 3iak h ILE 125 N -0.50 1.23 -0.78 3.11 2.04 -0.84 0.33 117.51 122.09 3iak h ILE 125 Ca -0.04 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 3iak h ILE 125 Cb 0.37 -0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.40 3iak h ILE 125 CO 0.06 0.23 0.46 -0.26 0.00 0.00 0.00 178.15 178.64 3iak h PHE 126 N 1.18 1.04 -0.26 1.37 -1.00 -0.73 -0.12 116.94 118.43 3iak h PHE 126 Ca 0.31 -0.01 -0.15 0.00 2.81 0.00 0.00 57.97 60.93 3iak h PHE 126 Cb -0.09 -0.34 -0.00 0.00 3.61 0.00 0.00 35.95 39.13 3iak h PHE 126 CO -0.01 0.71 -0.43 1.96 -1.61 0.00 0.00 178.31 178.93 3iak h GLN 127 N 1.07 0.75 -0.74 1.51 1.08 -0.76 0.07 115.11 118.09 3iak h GLN 127 Ca 0.28 -0.46 0.03 0.00 -1.45 0.00 0.00 58.65 57.05 3iak h GLN 127 Cb -0.02 0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.42 3iak h GLN 127 CO -0.05 1.09 0.49 1.49 -0.95 0.00 0.00 178.83 180.89 3iak h GLU 128 N 0.49 0.89 -0.62 1.46 4.57 -0.03 -1.57 114.58 119.77 3iak h GLU 128 Ca 0.02 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3iak h GLU 128 Cb 1.03 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.42 3iak h GLU 128 CO 0.10 0.59 0.00 0.54 -1.18 0.00 0.00 179.01 179.06 3iak n ARG 129 N -4.45 2.64 -0.83 1.92 1.74 -0.08 -4.94 116.66 112.66 3iak n ARG 129 Ca 0.09 -2.53 0.00 0.00 -0.77 0.00 0.00 57.85 54.64 3iak n ARG 129 Cb 0.10 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 3iak n ARG 129 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3iak n ASP 130 N 1.61 -2.23 -0.03 0.55 2.03 -0.59 -4.84 116.55 113.05 3iak n ASP 130 Ca 0.23 0.00 0.24 0.00 0.52 0.00 0.00 54.79 55.78 3iak n ASP 130 Cb 0.62 -1.97 0.71 0.00 -0.72 0.00 0.00 41.12 39.76 3iak n ASP 130 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3iak h LEU 131 N 0.00 0.00 -0.86 -2.67 3.38 -1.28 0.12 115.31 113.99 3iak h LEU 131 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3iak h LEU 131 Cb 0.29 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3iak h LEU 131 CO 0.00 0.00 0.12 -0.07 0.09 0.00 0.00 178.44 178.58 3iak h LEU 132 N 0.00 0.91 0.19 1.67 4.07 -1.86 -2.04 115.31 118.26 3iak h LEU 132 Ca 0.30 -0.19 -0.33 0.00 0.08 0.00 0.00 57.88 57.74 3iak h LEU 132 Cb 1.47 -0.24 0.02 0.00 1.08 0.00 0.00 40.66 42.99 3iak h LEU 132 CO -0.00 0.90 -1.54 0.11 -1.08 0.00 0.00 178.44 176.83 3iak h LYS 133 N 0.92 0.40 0.00 1.13 1.57 -1.26 0.33 116.57 119.67 3iak h LYS 133 Ca 0.19 -0.69 -0.03 0.00 -1.87 0.00 0.00 60.65 58.25 3iak h LYS 133 Cb 0.36 0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 3iak h LYS 133 CO 0.00 1.31 -0.14 1.15 -0.57 0.00 0.00 179.45 181.21 3iak h THR 134 N 0.11 0.84 0.00 -0.16 2.02 -1.41 -2.86 112.91 111.45 3iak h THR 134 Ca -0.26 -0.53 -0.00 0.00 0.77 0.00 0.00 66.41 66.39 3iak h THR 134 Cb 2.09 1.31 -0.00 0.00 -1.74 0.00 0.00 68.15 69.81 3iak h THR 134 CO 0.22 0.14 -0.10 0.49 0.37 0.00 0.00 175.52 176.63 3iak n PHE 135 N -3.99 0.00 -4.31 3.16 3.72 -0.78 -5.01 117.46 110.25 3iak n PHE 135 Ca -0.02 -0.83 -0.33 0.00 -0.05 0.00 0.00 57.45 56.22 3iak n PHE 135 Cb 0.23 -0.13 -0.08 0.00 -0.94 0.00 0.00 39.48 38.55 3iak n PHE 135 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3iak n LYS 136 N -1.17 -1.37 -3.10 -1.08 5.02 -0.86 -4.70 118.16 110.90 3iak n LYS 136 Ca 0.13 0.16 -0.41 0.00 -2.02 0.00 0.00 58.31 56.18 3iak n LYS 136 Cb 0.65 -4.06 -0.06 0.00 -0.02 0.00 0.00 35.03 31.54 3iak n LYS 136 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3iak s ILE 137 N -4.01 4.96 0.47 -0.18 1.01 0.11 -4.71 121.20 118.85 3iak s ILE 137 Ca 0.23 1.06 -0.23 0.00 0.00 0.00 0.00 60.65 61.71 3iak s ILE 137 Cb -0.13 -3.97 -0.07 0.00 0.01 0.00 0.00 42.46 38.30 3iak s ILE 137 CO 0.99 -0.04 1.26 -2.16 0.00 0.00 0.00 174.94 174.99 3iak s PRO 138 N 2.57 3.61 0.16 2.79 0.04 -1.26 -4.70 135.00 138.20 3iak s PRO 138 Ca 0.26 2.01 -0.10 0.00 0.04 0.00 0.00 61.00 63.22 3iak s PRO 138 Cb -0.15 -2.45 -0.00 0.00 0.04 0.00 0.00 34.50 31.94 3iak s PRO 138 CO 0.10 -0.74 1.52 -0.24 0.04 0.00 0.00 177.00 177.67 3iak h VAL 139 N 1.88 1.27 0.00 -0.36 3.04 -1.97 -2.61 116.25 117.51 3iak h VAL 139 Ca -0.50 -1.48 0.00 0.00 -1.01 0.00 0.00 66.70 63.71 3iak h VAL 139 Cb 1.26 1.27 0.00 0.00 -2.01 0.00 0.00 31.29 31.82 3iak h VAL 139 CO 0.60 0.50 0.00 -0.90 -1.01 0.00 0.00 177.57 176.76 3iak n ASP 140 N -4.08 0.10 0.05 3.17 5.68 -1.26 -1.27 116.55 118.94 3iak n ASP 140 Ca -0.01 0.52 -0.22 0.00 -0.50 0.00 0.00 54.79 54.57 3iak n ASP 140 Cb 0.51 -0.54 -0.15 0.00 -1.14 0.00 0.00 41.12 39.80 3iak n ASP 140 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 3iak h THR 141 N 0.00 0.83 -0.36 2.12 2.02 -1.80 -3.15 112.91 112.57 3iak h THR 141 Ca 0.00 -2.44 0.03 0.00 0.77 0.00 0.00 66.41 64.76 3iak h THR 141 Cb 0.43 2.67 -0.03 0.00 -1.74 0.00 0.00 68.15 69.48 3iak h THR 141 CO 0.00 0.87 0.17 0.25 0.37 0.00 0.00 175.52 177.18 3iak h LEU 142 N 0.07 0.25 -0.08 2.58 5.85 -1.06 -1.78 115.31 121.14 3iak h LEU 142 Ca -0.37 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.37 3iak h LEU 142 Cb 2.06 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 43.06 3iak h LEU 142 CO 0.14 0.18 0.05 0.40 -0.34 0.00 0.00 178.44 178.87 3iak h ILE 143 N 0.36 1.05 -0.79 4.05 1.08 -1.34 -1.82 117.51 120.09 3iak h ILE 143 Ca 0.15 -0.11 -0.00 0.00 -0.39 0.00 0.00 64.86 64.50 3iak h ILE 143 Cb 0.07 0.98 -0.04 0.00 -3.07 0.00 0.00 36.82 34.76 3iak h ILE 143 CO -0.11 0.04 0.47 0.74 -0.69 0.00 0.00 178.15 178.60 3iak h THR 144 N 0.08 1.22 0.08 -0.27 2.02 -1.48 -0.58 112.91 113.98 3iak h THR 144 Ca 0.03 -0.48 -0.00 0.00 0.77 0.00 0.00 66.41 66.72 3iak h THR 144 Cb 0.02 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.54 3iak h THR 144 CO -0.01 0.23 -0.04 0.22 0.37 0.00 0.00 175.52 176.30 3iak h TYR 145 N 1.09 -0.10 -0.85 3.16 3.20 -1.18 -2.94 116.97 119.34 3iak h TYR 145 Ca 0.28 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.16 3iak h TYR 145 Cb -0.04 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.22 3iak h TYR 145 CO 0.00 0.26 0.56 -0.07 -1.64 0.00 0.00 178.16 177.28 3iak h LEU 146 N -0.48 0.97 -0.05 2.82 3.38 -1.04 0.20 115.31 121.11 3iak h LEU 146 Ca -0.01 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.96 3iak h LEU 146 Cb 0.41 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3iak h LEU 146 CO 0.02 0.70 -0.14 0.24 0.09 0.00 0.00 178.44 179.35 3iak h MET 147 N 1.14 -0.20 -0.29 1.13 2.86 -1.15 0.31 114.93 118.73 3iak h MET 147 Ca 0.31 0.01 -0.17 0.00 -2.06 0.00 0.00 59.70 57.80 3iak h MET 147 Cb -0.12 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.58 3iak h MET 147 CO -0.07 -0.13 -0.48 1.15 1.06 0.00 0.00 176.91 178.44 3iak h THR 148 N -0.20 1.29 -0.08 2.22 2.02 -1.20 -0.80 112.91 116.15 3iak h THR 148 Ca 0.06 -1.67 0.01 0.00 0.77 0.00 0.00 66.41 65.59 3iak h THR 148 Cb 0.29 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 3iak h THR 148 CO -0.17 0.54 0.01 0.25 0.37 0.00 0.00 175.52 176.52 3iak h LEU 149 N 0.62 -0.01 -1.15 2.58 5.85 -0.54 -1.98 115.31 120.68 3iak h LEU 149 Ca 0.03 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.79 3iak h LEU 149 Cb 1.05 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.06 3iak h LEU 149 CO 0.10 0.01 0.58 -0.08 -0.34 0.00 0.00 178.44 178.71 3iak h GLU 150 N 0.04 1.12 -0.49 1.25 4.81 -0.77 -1.82 114.58 118.72 3iak h GLU 150 Ca 0.03 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 3iak h GLU 150 Cb 0.03 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 3iak h GLU 150 CO -0.05 0.74 0.23 -0.44 -0.73 0.00 0.00 179.01 178.76 3iak h ASP 151 N 1.15 0.61 0.71 1.04 3.45 -0.84 -2.88 116.42 119.65 3iak h ASP 151 Ca 0.33 -0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.74 3iak h ASP 151 Cb -0.07 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 38.55 3iak h ASP 151 CO -0.08 0.52 -0.12 1.41 -1.57 0.00 0.00 179.24 179.40 3iak n HIS 152 N -4.39 0.00 -2.72 4.55 8.25 -0.70 -4.61 115.22 115.61 3iak n HIS 152 Ca 0.04 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.15 3iak n HIS 152 Cb 0.12 -0.35 -0.06 0.00 1.12 0.00 0.00 29.99 30.82 3iak n HIS 152 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3iak s TYR 153 N -2.82 3.35 -0.28 4.41 1.51 -1.09 -1.53 117.35 120.91 3iak s TYR 153 Ca 0.19 1.66 -0.17 0.00 -1.01 0.00 0.00 57.07 57.73 3iak s TYR 153 Cb 0.19 -2.95 -0.03 0.00 -0.11 0.00 0.00 41.96 39.06 3iak s TYR 153 CO 0.54 -0.23 0.49 -1.01 -1.11 0.00 0.00 175.55 174.22 3iak s HIS 154 N -1.91 3.25 0.26 2.71 3.76 -1.26 -4.85 115.29 117.24 3iak s HIS 154 Ca 0.59 0.51 -0.02 0.00 -0.15 0.00 0.00 55.06 56.00 3iak s HIS 154 Cb -0.15 -2.73 0.33 0.00 1.11 0.00 0.00 32.58 31.14 3iak s HIS 154 CO 0.20 -0.32 1.73 0.00 -0.85 0.00 0.00 174.74 175.50 3iak h ALA 155 N 8.13 1.07 0.00 -1.40 0.00 -1.91 -2.82 119.26 122.32 3iak h ALA 155 Ca -0.29 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3iak h ALA 155 Cb 1.14 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3iak h ALA 155 CO 0.71 0.57 0.00 -0.40 0.00 0.00 0.00 179.25 180.13 3iak n ASP 156 N -4.19 0.00 -4.66 0.00 3.85 -1.26 -4.71 116.55 105.58 3iak n ASP 156 Ca 0.02 -0.53 -0.40 0.00 -0.71 0.00 0.00 54.79 53.16 3iak n ASP 156 Cb 0.34 -0.10 -0.06 0.00 -1.35 0.00 0.00 41.12 39.95 3iak n ASP 156 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 3iak s VAL 157 N -2.20 5.02 0.12 2.12 1.01 -1.07 -4.99 120.40 120.40 3iak s VAL 157 Ca 0.33 1.19 -0.22 0.00 0.00 0.00 0.00 61.98 63.28 3iak s VAL 157 Cb 0.17 -3.95 -0.06 0.00 0.00 0.00 0.00 36.38 32.54 3iak s VAL 157 CO 0.32 0.11 1.70 0.00 0.00 0.00 0.00 175.10 177.23 3iak h ALA 158 N 7.49 0.01 0.00 5.51 0.00 -1.84 -3.40 119.26 127.02 3iak h ALA 158 Ca -0.31 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 3iak h ALA 158 Cb 1.14 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3iak h ALA 158 CO 0.77 -0.53 -1.04 0.98 0.00 0.00 0.00 179.25 179.43 3iak n TYR 159 N -5.21 0.00 -1.60 0.00 9.36 -1.25 -4.79 117.16 113.68 3iak n TYR 159 Ca -0.04 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.77 3iak n TYR 159 Cb 0.13 -0.38 -0.01 0.00 -0.63 0.00 0.00 39.34 38.45 3iak n TYR 159 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3iak n HIS 160 N -3.92 3.18 -4.15 2.98 8.25 -1.26 -4.35 115.22 115.95 3iak n HIS 160 Ca -0.16 -2.90 -0.07 0.00 -0.26 0.00 0.00 57.72 54.32 3iak n HIS 160 Cb 0.45 -2.48 -0.02 0.00 1.12 0.00 0.00 29.99 29.06 3iak n HIS 160 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3iak n ASN 161 N 5.70 1.36 0.29 0.41 0.23 -1.26 -4.60 115.26 117.38 3iak n ASN 161 Ca 0.57 -1.59 0.14 0.00 -0.53 0.00 0.00 54.58 53.17 3iak n ASN 161 Cb 0.36 0.23 0.86 0.00 -2.08 0.00 0.00 39.78 39.14 3iak n ASN 161 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 3iak h ASN 162 N 0.41 0.00 0.13 0.53 -1.07 -1.88 -1.69 115.58 112.01 3iak h ASN 162 Ca -0.09 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.27 3iak h ASN 162 Cb 0.33 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.58 3iak h ASN 162 CO 0.15 0.05 -0.06 0.40 0.07 0.00 0.00 177.43 178.03 3iak h ILE 163 N 0.00 0.96 -0.94 6.14 2.04 -1.97 -1.76 117.51 121.99 3iak h ILE 163 Ca -0.00 -1.21 0.18 0.00 1.00 0.00 0.00 64.86 64.83 3iak h ILE 163 Cb 0.13 1.62 -0.10 0.00 -0.74 0.00 0.00 36.82 37.73 3iak h ILE 163 CO 0.01 0.25 0.53 -0.74 0.00 0.00 0.00 178.15 178.20 3iak h HIS 164 N -0.83 0.93 -0.01 1.37 2.76 -1.71 0.25 115.15 117.91 3iak h HIS 164 Ca -0.02 0.04 0.03 0.00 -2.20 0.00 0.00 60.37 58.21 3iak h HIS 164 Cb 0.55 -0.27 -0.03 0.00 1.55 0.00 0.00 27.41 29.20 3iak h HIS 164 CO 0.10 0.19 -0.16 0.00 -1.30 0.00 0.00 177.93 176.76 3iak h ALA 165 N 1.63 -0.18 -0.77 5.26 0.00 -1.27 -0.53 119.26 123.39 3iak h ALA 165 Ca 0.54 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.41 3iak h ALA 165 Cb 0.84 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 3iak h ALA 165 CO -0.39 -0.65 0.27 0.00 0.00 0.00 0.00 179.25 178.48 3iak h ALA 166 N 0.69 1.02 0.05 0.00 0.00 -0.28 -1.22 119.26 119.51 3iak h ALA 166 Ca 0.05 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.78 3iak h ALA 166 Cb 0.33 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 3iak h ALA 166 CO -0.16 0.67 -0.37 0.22 0.00 0.00 0.00 179.25 179.62 3iak h ASP 167 N 1.14 -1.10 -0.66 0.00 3.58 -0.25 0.06 116.42 119.19 3iak h ASP 167 Ca 0.25 0.13 -0.04 0.00 0.42 0.00 0.00 57.03 57.80 3iak h ASP 167 Cb 0.27 0.43 -0.03 0.00 1.72 0.00 0.00 39.33 41.71 3iak h ASP 167 CO -0.01 -0.43 0.29 0.58 -2.88 0.00 0.00 179.24 176.78 3iak h VAL 168 N -0.55 1.23 0.60 2.25 2.07 -0.83 0.76 116.25 121.79 3iak h VAL 168 Ca 0.04 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 3iak h VAL 168 Cb 0.62 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3iak h VAL 168 CO -0.26 0.29 -0.40 0.58 0.02 0.00 0.00 177.57 177.80 3iak h VAL 169 N 0.99 0.19 -0.97 2.57 2.07 -0.96 -0.88 116.25 119.26 3iak h VAL 169 Ca 0.23 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.80 3iak h VAL 169 Cb 0.17 0.19 -0.06 0.00 -1.52 0.00 0.00 31.29 30.07 3iak h VAL 169 CO -0.02 0.00 0.63 -0.61 0.02 0.00 0.00 177.57 177.59 3iak h GLN 170 N -0.96 1.14 -0.53 1.57 -0.00 -0.64 0.10 115.11 115.80 3iak h GLN 170 Ca -0.07 -0.07 -0.08 0.00 -0.00 0.00 0.00 58.65 58.43 3iak h GLN 170 Cb 0.78 -0.26 -0.02 0.00 0.00 0.00 0.00 27.48 27.99 3iak h GLN 170 CO 0.06 0.75 0.02 0.77 0.00 0.00 0.00 178.83 180.43 3iak h SER 171 N 1.17 0.89 -0.06 -0.69 0.02 -0.76 -2.09 113.55 112.04 3iak h SER 171 Ca 0.40 -0.30 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3iak h SER 171 Cb 0.09 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.39 3iak h SER 171 CO -0.14 0.97 0.03 0.74 -1.14 0.00 0.00 176.83 177.29 3iak h THR 172 N 0.79 1.07 -0.89 -2.27 2.02 -0.40 -2.14 112.91 111.09 3iak h THR 172 Ca 0.15 -0.19 0.18 0.00 0.77 0.00 0.00 66.41 67.32 3iak h THR 172 Cb 0.50 1.09 -0.07 0.00 -1.74 0.00 0.00 68.15 67.93 3iak h THR 172 CO 0.02 0.06 0.58 -0.74 0.37 0.00 0.00 175.52 175.81 3iak h HIS 173 N 0.02 0.65 -0.02 3.16 -0.00 -0.84 0.45 115.15 118.57 3iak h HIS 173 Ca 0.02 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.39 3iak h HIS 173 Cb 0.06 -0.20 0.00 0.00 -0.00 0.00 0.00 27.41 27.27 3iak h HIS 173 CO -0.05 0.20 -0.05 0.28 -0.00 0.00 0.00 177.93 178.31 3iak h VAL 174 N 0.52 1.49 0.00 5.26 2.07 -1.15 -3.25 116.25 121.19 3iak h VAL 174 Ca 0.46 -1.51 -0.01 0.00 0.82 0.00 0.00 66.70 66.45 3iak h VAL 174 Cb 0.97 2.46 -0.00 0.00 -1.52 0.00 0.00 31.29 33.20 3iak h VAL 174 CO -0.19 0.40 -0.07 -0.07 0.02 0.00 0.00 177.57 177.66 3iak h LEU 175 N -0.54 0.00 -0.01 2.57 3.38 -0.66 0.29 115.31 120.35 3iak h LEU 175 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iak h LEU 175 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3iak h LEU 175 CO 0.01 0.07 0.00 0.18 0.09 0.00 0.00 178.44 178.79 3iak n LEU 176 N -4.16 0.01 -0.24 1.67 4.77 0.07 -3.16 117.00 115.95 3iak n LEU 176 Ca -0.03 0.50 0.03 0.00 -0.03 0.00 0.00 56.01 56.48 3iak n LEU 176 Cb 0.15 -0.50 0.03 0.00 -2.33 0.00 0.00 43.42 40.78 3iak n LEU 176 CO 0.32 -0.36 0.39 -1.20 -1.33 0.00 0.00 177.39 175.21 3iak n SER 177 N -1.51 1.68 -4.78 -1.43 7.64 0.09 -4.83 113.62 110.49 3iak n SER 177 Ca 0.02 -1.40 -0.41 0.00 1.01 0.00 0.00 58.87 58.09 3iak n SER 177 Cb 0.10 -0.03 -0.00 0.00 -1.01 0.00 0.00 64.21 63.27 3iak n SER 177 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3iak s THR 178 N -0.58 2.14 0.21 0.44 -4.23 -1.19 -4.90 115.64 107.53 3iak s THR 178 Ca 0.08 0.14 -0.16 0.00 -1.18 0.00 0.00 61.69 60.56 3iak s THR 178 Cb 0.05 -3.09 0.21 0.00 1.34 0.00 0.00 72.50 71.01 3iak s THR 178 CO 0.07 0.03 1.40 -2.65 -0.54 0.00 0.00 174.62 172.93 3iak n PRO 179 N 0.52 -0.21 0.00 3.99 -0.02 -1.26 -1.42 135.00 136.60 3iak n PRO 179 Ca 0.01 1.39 0.02 0.00 -2.02 0.00 0.00 63.50 62.90 3iak n PRO 179 Cb 0.40 -2.06 0.10 0.00 -0.02 0.00 0.00 33.50 31.91 3iak n PRO 179 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iak n ALA 180 N -3.52 1.58 -1.20 3.55 0.00 -1.26 -1.42 120.51 118.24 3iak n ALA 180 Ca 0.09 -0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.56 3iak n ALA 180 Cb 0.36 -1.06 0.07 0.00 0.00 0.00 0.00 19.45 18.82 3iak n ALA 180 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3iak n LEU 181 N -1.05 1.38 -4.73 0.00 4.77 -0.50 -1.76 117.00 115.11 3iak n LEU 181 Ca 0.02 -2.03 -0.42 0.00 -0.03 0.00 0.00 56.01 53.55 3iak n LEU 181 Cb 0.01 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 40.87 3iak n LEU 181 CO 0.02 0.48 1.14 -0.70 -1.33 0.00 0.00 177.39 177.00 3iak s GLU 182 N -1.50 4.27 0.00 3.23 2.12 -0.51 -2.53 118.70 123.78 3iak s GLU 182 Ca 0.15 2.26 0.00 0.00 0.36 0.00 0.00 54.97 57.74 3iak s GLU 182 Cb 0.13 -3.17 0.00 0.00 0.26 0.00 0.00 34.13 31.36 3iak s GLU 182 CO 0.01 -0.49 0.00 0.00 -0.54 0.00 0.00 175.26 174.24 3iak n ALA 183 N 3.42 0.00 -0.18 6.30 0.00 -1.26 -4.82 120.51 123.97 3iak n ALA 183 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.46 3iak n ALA 183 Cb 0.40 -1.15 0.01 0.00 0.00 0.00 0.00 19.45 18.71 3iak n ALA 183 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3iak h VAL 184 N 0.00 1.22 -2.84 0.00 2.07 -1.84 -3.44 116.25 111.42 3iak h VAL 184 Ca 0.00 -0.72 -0.64 0.00 0.82 0.00 0.00 66.70 66.15 3iak h VAL 184 Cb 0.33 0.74 -0.06 0.00 -1.52 0.00 0.00 31.29 30.78 3iak h VAL 184 CO 0.00 0.27 -0.50 -0.36 0.02 0.00 0.00 177.57 176.99 3iak s PHE 185 N -5.47 3.51 0.70 1.57 0.08 -1.26 -5.00 117.98 112.12 3iak s PHE 185 Ca -0.13 0.35 -0.11 0.00 0.12 0.00 0.00 56.93 57.16 3iak s PHE 185 Cb 0.12 -1.83 0.01 0.00 -0.57 0.00 0.00 43.02 40.75 3iak s PHE 185 CO 0.78 0.64 1.09 0.95 -0.10 0.00 0.00 175.22 178.58 3iak s THR 186 N -1.27 3.62 0.29 0.64 -4.23 -1.26 -4.84 115.64 108.58 3iak s THR 186 Ca 0.25 0.53 0.02 0.00 -1.18 0.00 0.00 61.69 61.31 3iak s THR 186 Cb -0.12 -3.51 0.29 0.00 1.34 0.00 0.00 72.50 70.50 3iak s THR 186 CO 0.16 -0.69 1.84 0.44 -0.54 0.00 0.00 174.62 175.84 3iak h ASP 187 N -0.63 0.91 -0.48 3.99 3.32 -1.99 0.40 116.42 121.94 3iak h ASP 187 Ca -0.45 0.04 -0.10 0.00 0.02 0.00 0.00 57.03 56.54 3iak h ASP 187 Cb 1.25 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.64 3iak h ASP 187 CO 0.63 0.49 -0.10 0.25 -1.72 0.00 0.00 179.24 178.79 3iak h LEU 188 N 0.99 0.92 -0.36 1.55 5.85 -1.98 0.84 115.31 123.11 3iak h LEU 188 Ca 0.49 -0.36 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 3iak h LEU 188 Cb 0.48 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 3iak h LEU 188 CO -0.25 1.06 0.04 -0.33 -0.34 0.00 0.00 178.44 178.62 3iak h GLU 189 N 0.77 0.61 0.17 1.25 5.08 -1.73 -0.36 114.58 120.37 3iak h GLU 189 Ca 0.12 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3iak h GLU 189 Cb 0.65 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 3iak h GLU 189 CO 0.05 0.69 -0.22 0.82 -1.00 0.00 0.00 179.01 179.35 3iak h ILE 190 N 0.45 0.51 -0.92 3.13 2.04 -0.79 -1.95 117.51 119.98 3iak h ILE 190 Ca 0.11 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.16 3iak h ILE 190 Cb 0.39 0.51 -0.11 0.00 -0.74 0.00 0.00 36.82 36.88 3iak h ILE 190 CO 0.01 0.00 0.48 0.25 0.00 0.00 0.00 178.15 178.89 3iak h LEU 191 N -0.45 0.55 -0.19 1.44 5.85 -0.70 -2.24 115.31 119.57 3iak h LEU 191 Ca 0.01 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 3iak h LEU 191 Cb 0.44 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 3iak h LEU 191 CO -0.08 0.16 0.07 0.00 -0.34 0.00 0.00 178.44 178.24 3iak h ALA 192 N 1.64 0.25 -0.47 1.25 0.00 -0.40 -1.59 119.26 119.95 3iak h ALA 192 Ca 0.54 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.27 3iak h ALA 192 Cb 0.90 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3iak h ALA 192 CO -0.43 -0.15 0.06 0.00 0.00 0.00 0.00 179.25 178.73 3iak h ALA 193 N 0.90 1.23 0.09 0.00 0.00 -0.87 0.31 119.26 120.92 3iak h ALA 193 Ca 0.06 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3iak h ALA 193 Cb 0.20 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3iak h ALA 193 CO -0.00 0.52 -0.04 0.82 0.00 0.00 0.00 179.25 180.54 3iak h ILE 194 N 0.70 1.15 -0.90 0.00 2.04 -1.34 -1.10 117.51 118.06 3iak h ILE 194 Ca 0.15 -1.22 0.11 0.00 1.00 0.00 0.00 64.86 64.90 3iak h ILE 194 Cb 0.35 1.89 -0.08 0.00 -0.74 0.00 0.00 36.82 38.24 3iak h ILE 194 CO 0.01 0.28 0.54 0.15 0.00 0.00 0.00 178.15 179.13 3iak h PHE 195 N -0.71 0.98 0.15 1.37 3.57 -1.21 0.13 116.94 121.22 3iak h PHE 195 Ca -0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3iak h PHE 195 Cb 0.56 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 3iak h PHE 195 CO 0.10 0.39 -0.14 0.00 -2.23 0.00 0.00 178.31 176.44 3iak h ALA 196 N 1.49 -0.28 -0.73 2.41 0.00 -0.35 -1.93 119.26 119.87 3iak h ALA 196 Ca 0.44 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.42 3iak h ALA 196 Cb 0.42 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.33 3iak h ALA 196 CO -0.26 -0.68 0.36 0.77 0.00 0.00 0.00 179.25 179.44 3iak h SER 197 N -0.31 0.45 -0.91 0.00 0.02 -0.52 -0.28 113.55 112.01 3iak h SER 197 Ca 0.00 0.07 0.04 0.00 -0.84 0.00 0.00 61.79 61.06 3iak h SER 197 Cb 0.29 -0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.77 3iak h SER 197 CO -0.03 0.24 0.59 0.00 -1.14 0.00 0.00 176.83 176.49 3iak h ALA 198 N 1.45 1.20 0.00 3.77 0.00 -0.29 -3.17 119.26 122.22 3iak h ALA 198 Ca 0.37 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3iak h ALA 198 Cb 0.42 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3iak h ALA 198 CO -0.29 0.44 -1.17 0.44 0.00 0.00 0.00 179.25 178.66 3iak n ILE 199 N -4.52 0.01 0.24 0.00 -5.35 -0.77 -4.68 119.36 104.30 3iak n ILE 199 Ca 0.12 -0.10 0.11 0.00 -0.27 0.00 0.00 62.75 62.61 3iak n ILE 199 Cb 0.10 0.76 0.61 0.00 -1.74 0.00 0.00 39.64 39.36 3iak n ILE 199 CO 0.00 0.00 0.00 1.12 -1.76 0.00 0.00 176.55 175.91 3iak h HIS 200 N 0.00 0.00 0.00 4.28 2.07 -1.03 -1.09 115.15 119.39 3iak h HIS 200 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3iak h HIS 200 Cb 0.60 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.58 3iak h HIS 200 CO 0.00 0.00 -0.01 -0.25 -3.07 0.00 0.00 177.93 174.60 3iak n ASP 201 N -2.47 1.03 -4.65 3.10 8.00 -1.26 -4.88 116.55 115.43 3iak n ASP 201 Ca -0.01 -1.56 -0.40 0.00 0.71 0.00 0.00 54.79 53.53 3iak n ASP 201 Cb 0.30 -0.01 0.02 0.00 -0.02 0.00 0.00 41.12 41.41 3iak n ASP 201 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3iak n VAL 202 N -0.28 2.89 -1.68 2.53 3.14 -0.41 -2.37 118.33 122.15 3iak n VAL 202 Ca 0.00 -0.50 -0.20 0.00 -2.96 0.00 0.00 64.34 60.68 3iak n VAL 202 Cb 0.39 -1.31 -0.08 0.00 -1.06 0.00 0.00 33.84 31.78 3iak n VAL 202 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 3iak n ASP 203 N -0.01 -5.44 -4.67 6.55 2.03 -0.58 -4.47 116.55 109.97 3iak n ASP 203 Ca 0.10 0.45 -0.42 0.00 0.52 0.00 0.00 54.79 55.44 3iak n ASP 203 Cb 0.42 -4.78 -0.03 0.00 -0.72 0.00 0.00 41.12 36.01 3iak n ASP 203 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 3iak s HIS 204 N -2.77 1.85 -0.62 -0.67 2.46 -1.00 -4.89 115.29 109.66 3iak s HIS 204 Ca 0.00 -0.05 0.25 0.00 0.47 0.00 0.00 55.06 55.72 3iak s HIS 204 Cb 0.00 -4.09 0.91 0.00 -0.13 0.00 0.00 32.58 29.27 3iak s HIS 204 CO 0.00 -4.64 1.74 -0.35 -2.47 0.00 0.00 174.74 169.02 3iak n PRO 205 N 6.71 0.21 -0.46 2.88 -0.04 -1.26 -4.61 135.00 138.44 3iak n PRO 205 Ca 0.18 0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.95 3iak n PRO 205 Cb 0.41 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 3iak n PRO 205 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3iak n GLY 206 N 0.62 0.78 3.19 0.55 0.00 -1.26 -5.00 105.19 104.08 3iak n GLY 206 Ca 0.04 -0.46 -0.14 0.00 0.00 0.00 0.00 46.02 45.45 3iak n GLY 206 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iak s VAL 207 N -2.00 0.99 0.67 1.61 -7.23 -1.26 -4.74 120.40 108.44 3iak s VAL 207 Ca 0.00 -1.74 -0.11 0.00 -1.81 0.00 0.00 61.98 58.31 3iak s VAL 207 Cb 0.00 -1.48 -0.01 0.00 0.56 0.00 0.00 36.38 35.45 3iak s VAL 207 CO 0.00 -0.61 1.07 -0.94 -0.31 0.00 0.00 175.10 174.31 3iak s SER 208 N -2.62 5.76 0.20 4.85 1.04 -1.26 -4.91 113.70 116.76 3iak s SER 208 Ca 0.08 1.24 -0.16 0.00 0.48 0.00 0.00 55.95 57.60 3iak s SER 208 Cb -0.01 -2.14 0.18 0.00 0.10 0.00 0.00 66.02 64.15 3iak s SER 208 CO -0.00 -1.15 1.62 0.78 0.98 0.00 0.00 173.24 175.47 3iak h ASN 209 N -0.52 -0.67 -0.92 7.02 2.35 -2.01 -2.00 115.58 118.83 3iak h ASN 209 Ca -0.45 0.18 0.10 0.00 -0.55 0.00 0.00 56.30 55.58 3iak h ASN 209 Cb 1.23 0.40 -0.07 0.00 0.05 0.00 0.00 38.32 39.92 3iak h ASN 209 CO 0.63 -0.22 0.56 -0.61 -1.65 0.00 0.00 177.43 176.14 3iak h GLN 210 N -0.05 0.91 -0.73 0.81 5.75 -1.99 0.24 115.11 120.06 3iak h GLN 210 Ca 0.27 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.68 3iak h GLN 210 Cb 0.46 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.77 3iak h GLN 210 CO -0.60 0.60 0.34 0.35 -2.65 0.00 0.00 178.83 176.87 3iak h PHE 211 N 0.94 1.06 -0.20 3.99 3.04 -1.76 0.99 116.94 124.99 3iak h PHE 211 Ca 0.43 -0.06 -0.11 0.00 3.98 0.00 0.00 57.97 62.21 3iak h PHE 211 Cb 0.35 -0.33 -0.01 0.00 2.56 0.00 0.00 35.95 38.53 3iak h PHE 211 CO -0.03 0.79 -0.36 -0.07 -2.02 0.00 0.00 178.31 176.62 3iak h LEU 212 N 1.02 0.45 0.64 0.59 3.38 -0.23 -1.45 115.31 119.72 3iak h LEU 212 Ca 0.25 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3iak h LEU 212 Cb 0.14 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.77 3iak h LEU 212 CO -0.03 0.78 -0.31 0.40 0.09 0.00 0.00 178.44 179.37 3iak h ILE 213 N 0.37 0.00 -0.12 1.22 2.04 -0.39 -1.87 117.51 118.76 3iak h ILE 213 Ca 0.04 -0.36 0.03 0.00 1.00 0.00 0.00 64.86 65.58 3iak h ILE 213 Cb 0.80 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 3iak h ILE 213 CO 0.06 0.00 0.13 0.78 0.00 0.00 0.00 178.15 179.12 3iak h ASN 214 N -1.21 0.00 -0.46 1.72 2.35 -0.76 0.12 115.58 117.34 3iak h ASN 214 Ca -0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 3iak h ASN 214 Cb 0.65 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.02 3iak h ASN 214 CO 0.14 0.00 0.00 0.35 -1.65 0.00 0.00 177.43 176.27 3iak n THR 215 N -3.88 0.60 -3.91 2.81 -2.24 -0.55 -4.96 114.28 102.15 3iak n THR 215 Ca -0.00 -0.65 -0.28 0.00 -2.27 0.00 0.00 64.05 60.85 3iak n THR 215 Cb 0.23 0.42 0.01 0.00 -2.10 0.00 0.00 70.33 68.90 3iak n THR 215 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3iak n ASN 216 N 0.98 -2.91 -4.73 3.42 3.02 0.41 -4.94 115.26 110.51 3iak n ASN 216 Ca 0.17 -0.86 -0.30 0.00 -0.03 0.00 0.00 54.58 53.56 3iak n ASN 216 Cb 0.44 -3.62 0.13 0.00 -0.61 0.00 0.00 39.78 36.12 3iak n ASN 216 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3iak s SER 217 N -3.75 3.75 0.22 6.41 1.04 -0.71 -4.83 113.70 115.83 3iak s SER 217 Ca 0.40 1.56 -0.09 0.00 0.48 0.00 0.00 55.95 58.30 3iak s SER 217 Cb -0.20 -2.24 0.32 0.00 0.10 0.00 0.00 66.02 63.99 3iak s SER 217 CO 0.85 -2.47 1.72 -0.08 0.98 0.00 0.00 173.24 174.24 3iak h GLU 218 N -1.44 0.33 -0.44 4.02 4.57 -1.92 -1.96 114.58 117.75 3iak h GLU 218 Ca -0.48 -0.02 -0.13 0.00 -1.18 0.00 0.00 59.36 57.55 3iak h GLU 218 Cb 1.27 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.78 3iak h GLU 218 CO 0.54 0.22 -0.24 -0.07 -1.18 0.00 0.00 179.01 178.27 3iak h LEU 219 N 0.34 0.97 -0.82 1.64 3.38 -1.92 0.83 115.31 119.73 3iak h LEU 219 Ca 0.33 -0.41 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 3iak h LEU 219 Cb 0.47 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3iak h LEU 219 CO -0.37 1.17 -0.30 0.00 0.09 0.00 0.00 178.44 179.03 3iak h ALA 220 N 0.83 0.99 0.13 1.53 0.00 -1.75 0.47 119.26 121.46 3iak h ALA 220 Ca 0.09 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3iak h ALA 220 Cb 0.82 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3iak h ALA 220 CO 0.07 0.60 -0.06 1.25 0.00 0.00 0.00 179.25 181.10 3iak h LEU 221 N 0.47 -0.15 -0.83 0.00 5.85 -1.22 0.36 115.31 119.78 3iak h LEU 221 Ca 0.06 -0.10 0.13 0.00 0.84 0.00 0.00 57.88 58.81 3iak h LEU 221 Cb 0.75 0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.74 3iak h LEU 221 CO 0.06 0.00 0.44 -0.03 -0.34 0.00 0.00 178.44 178.57 3iak h MET 222 N -0.30 0.65 -0.26 1.25 4.05 -0.47 -3.11 114.93 116.73 3iak h MET 222 Ca -0.02 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 3iak h MET 222 Cb 0.24 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 30.90 3iak h MET 222 CO 0.03 0.43 0.00 0.66 0.23 0.00 0.00 176.91 178.26 3iak n TYR 223 N -4.84 0.44 -3.69 1.39 4.01 0.12 -5.00 117.16 109.59 3iak n TYR 223 Ca 0.16 -0.58 -0.25 0.00 -0.16 0.00 0.00 57.90 57.06 3iak n TYR 223 Cb 0.38 -0.08 0.06 0.00 -0.31 0.00 0.00 39.34 39.39 3iak n TYR 223 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3iak n ASN 224 N 0.09 -5.63 -1.59 7.72 3.02 0.06 -2.90 115.26 116.03 3iak n ASN 224 Ca 0.11 -0.62 -0.19 0.00 -0.03 0.00 0.00 54.58 53.85 3iak n ASN 224 Cb 0.48 -4.68 -0.07 0.00 -0.61 0.00 0.00 39.78 34.90 3iak n ASN 224 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3iak n ASP 225 N -2.97 -5.37 -3.93 6.41 8.00 -0.87 -4.98 116.55 112.83 3iak n ASP 225 Ca -0.00 0.41 -0.25 0.00 0.71 0.00 0.00 54.79 55.66 3iak n ASP 225 Cb 0.56 -4.56 -0.17 0.00 -0.02 0.00 0.00 41.12 36.93 3iak n ASP 225 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3iak s SER 226 N -2.70 1.87 -1.58 -2.24 1.04 -1.14 -4.80 113.70 104.15 3iak s SER 226 Ca 0.00 -0.27 -0.08 0.00 0.48 0.00 0.00 55.95 56.08 3iak s SER 226 Cb 0.00 -0.76 0.07 0.00 0.10 0.00 0.00 66.02 65.43 3iak s SER 226 CO 0.00 -0.07 0.45 -1.20 0.98 0.00 0.00 173.24 173.40 3iak n SER 227 N 4.51 -1.07 0.16 7.02 7.64 -1.26 -4.87 113.62 125.76 3iak n SER 227 Ca -0.17 -1.10 -0.17 0.00 1.01 0.00 0.00 58.87 58.45 3iak n SER 227 Cb 0.51 -2.48 -0.10 0.00 -1.01 0.00 0.00 64.21 61.13 3iak n SER 227 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3iak h VAL 228 N -1.63 0.00 -0.15 0.44 2.07 -1.87 -0.24 116.25 114.88 3iak h VAL 228 Ca -0.62 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.87 3iak h VAL 228 Cb 1.38 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3iak h VAL 228 CO 0.72 0.00 0.00 -0.07 0.02 0.00 0.00 177.57 178.24 3iak h LEU 229 N -0.83 0.26 -0.68 2.57 3.38 -1.94 -2.36 115.31 115.70 3iak h LEU 229 Ca -0.02 -0.31 0.12 0.00 0.09 0.00 0.00 57.88 57.76 3iak h LEU 229 Cb 0.80 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.40 3iak h LEU 229 CO -0.23 0.50 0.26 -0.33 0.09 0.00 0.00 178.44 178.73 3iak h GLU 230 N 0.01 0.41 -0.45 1.13 3.07 -1.88 0.49 114.58 117.36 3iak h GLU 230 Ca 0.04 -0.02 0.03 0.00 -0.50 0.00 0.00 59.36 58.91 3iak h GLU 230 Cb 0.37 -0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 28.15 3iak h GLU 230 CO 0.01 0.27 0.23 -0.91 -1.40 0.00 0.00 179.01 177.21 3iak h ASN 231 N 0.42 0.34 0.13 1.42 2.35 -1.00 -2.65 115.58 116.59 3iak h ASN 231 Ca 0.36 0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 56.04 3iak h ASN 231 Cb 0.49 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 3iak h ASN 231 CO -0.35 0.24 -0.30 -0.74 -1.65 0.00 0.00 177.43 174.63 3iak h HIS 232 N 0.46 0.30 -0.16 1.19 2.76 -0.31 -1.84 115.15 117.55 3iak h HIS 232 Ca 0.19 -0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 3iak h HIS 232 Cb 0.09 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 28.97 3iak h HIS 232 CO -0.10 0.55 0.05 0.45 -1.30 0.00 0.00 177.93 177.58 3iak h HIS 233 N 0.24 0.27 -0.47 5.26 3.86 0.01 -1.88 115.15 122.44 3iak h HIS 233 Ca 0.03 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3iak h HIS 233 Cb 0.65 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 29.03 3iak h HIS 233 CO 0.01 0.37 0.30 -0.07 0.86 0.00 0.00 177.93 179.40 3iak h LEU 234 N 0.09 0.55 -0.24 2.43 3.38 -1.30 -0.32 115.31 119.89 3iak h LEU 234 Ca 0.05 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.01 3iak h LEU 234 Cb 0.23 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3iak h LEU 234 CO -0.00 0.41 0.12 0.00 0.09 0.00 0.00 178.44 179.06 3iak h ALA 235 N 1.16 0.29 0.05 1.53 0.00 -1.26 -1.20 119.26 119.82 3iak h ALA 235 Ca 0.17 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3iak h ALA 235 Cb -0.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3iak h ALA 235 CO -0.04 -0.28 -0.02 0.28 0.00 0.00 0.00 179.25 179.19 3iak h VAL 236 N 0.25 1.17 -0.91 0.00 2.07 -1.16 -0.67 116.25 117.01 3iak h VAL 236 Ca 0.10 -0.70 0.10 0.00 0.82 0.00 0.00 66.70 67.02 3iak h VAL 236 Cb 0.02 1.63 -0.07 0.00 -1.52 0.00 0.00 31.29 31.36 3iak h VAL 236 CO -0.07 0.18 0.58 1.23 0.02 0.00 0.00 177.57 179.51 3iak h GLY 237 N -0.37 1.32 1.46 2.17 0.00 -0.96 -2.07 103.07 104.63 3iak h GLY 237 Ca -0.01 -0.37 -0.30 0.00 0.00 0.00 0.00 47.33 46.65 3iak h GLY 237 CO 0.01 0.20 -1.33 0.74 0.00 0.00 0.00 176.54 176.15 3iak h PHE 238 N 0.89 0.73 -0.19 5.60 0.04 -1.16 -3.34 116.94 119.51 3iak h PHE 238 Ca 0.42 -0.52 -0.09 0.00 2.80 0.00 0.00 57.97 60.58 3iak h PHE 238 Cb 0.43 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 3iak h PHE 238 CO -0.00 1.40 -0.26 -0.22 -0.60 0.00 0.00 178.31 178.64 3iak h LYS 239 N 0.12 0.36 0.00 1.51 3.64 -0.70 -2.79 116.57 118.71 3iak h LYS 239 Ca -0.19 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 3iak h LYS 239 Cb 2.04 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.84 3iak h LYS 239 CO 0.24 0.60 0.00 -0.07 -2.27 0.00 0.00 179.45 177.94 3iak h LEU 240 N 0.32 0.00 -1.48 5.20 3.38 -1.50 -1.15 115.31 120.08 3iak h LEU 240 Ca 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3iak h LEU 240 Cb 0.63 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3iak h LEU 240 CO 0.05 0.00 0.05 -0.07 0.09 0.00 0.00 178.44 178.56 3iak h LEU 241 N 0.00 0.36 0.00 1.67 3.38 -1.66 -2.39 115.31 116.67 3iak h LEU 241 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3iak h LEU 241 Cb 0.16 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3iak h LEU 241 CO 0.00 0.38 0.00 0.00 0.09 0.00 0.00 178.44 178.91 3iak n GLN 242 N -4.37 0.01 -1.34 1.13 6.02 -0.44 -2.44 117.38 115.96 3iak n GLN 242 Ca 0.01 0.22 -0.32 0.00 -0.01 0.00 0.00 57.00 56.89 3iak n GLN 242 Cb 0.17 -1.50 0.09 0.00 1.02 0.00 0.00 30.24 30.03 3iak n GLN 242 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3iak s GLU 243 N -2.98 2.17 -0.40 -1.09 0.41 -0.90 -4.84 118.70 111.07 3iak s GLU 243 Ca 0.08 1.41 -0.41 0.00 -0.41 0.00 0.00 54.97 55.64 3iak s GLU 243 Cb 0.11 -1.87 -0.16 0.00 -1.78 0.00 0.00 34.13 30.43 3iak s GLU 243 CO 0.29 -1.74 2.00 -1.91 -0.49 0.00 0.00 175.26 173.41 3iak n GLU 244 N -3.18 0.62 -3.79 1.61 4.07 -1.26 -1.80 120.64 116.90 3iak n GLU 244 Ca 0.11 0.19 -0.30 0.00 -0.06 0.00 0.00 57.16 57.10 3iak n GLU 244 Cb 0.52 -1.95 0.02 0.00 -0.06 0.00 0.00 31.44 29.97 3iak n GLU 244 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 3iak n ASN 245 N 7.32 -3.42 0.00 4.31 5.15 -1.26 -4.92 115.26 122.44 3iak n ASN 245 Ca 0.41 -1.02 0.00 0.00 -0.60 0.00 0.00 54.58 53.37 3iak n ASN 245 Cb 0.08 -3.22 0.00 0.00 -0.53 0.00 0.00 39.78 36.11 3iak n ASN 245 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3iak s ASP 247 N -0.32 5.74 0.00 0.00 -1.08 -1.02 -4.65 116.67 115.33 3iak s ASP 247 Ca 0.00 -0.85 0.18 0.00 -0.52 0.00 0.00 52.55 51.36 3iak s ASP 247 Cb 0.00 -2.56 0.77 0.00 -1.46 0.00 0.00 42.92 39.67 3iak s ASP 247 CO 0.00 -2.18 1.58 2.30 0.52 0.00 0.00 175.17 177.39 3iak n ILE 248 N 7.33 0.75 0.46 4.11 -5.35 -1.26 -2.49 119.36 122.91 3iak n ILE 248 Ca 0.33 0.19 0.09 0.00 -0.27 0.00 0.00 62.75 63.08 3iak n ILE 248 Cb 0.49 -0.88 0.12 0.00 -1.74 0.00 0.00 39.64 37.63 3iak n ILE 248 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3iak n PHE 249 N -1.50 0.20 -0.29 4.28 3.72 -1.26 -4.70 117.46 117.92 3iak n PHE 249 Ca 0.04 -0.14 0.11 0.00 -0.05 0.00 0.00 57.45 57.42 3iak n PHE 249 Cb 0.21 -0.00 0.26 0.00 -0.94 0.00 0.00 39.48 39.01 3iak n PHE 249 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 3iak h GLN 250 N 3.40 0.19 -1.56 -1.08 3.07 -1.87 -1.33 115.11 115.93 3iak h GLN 250 Ca 0.00 -0.01 -0.62 0.00 0.09 0.00 0.00 58.65 58.11 3iak h GLN 250 Cb 0.77 -0.04 -0.24 0.00 0.08 0.00 0.00 27.48 28.05 3iak h GLN 250 CO 0.00 0.13 0.78 0.09 0.09 0.00 0.00 178.83 179.92 3iak n ASN 251 N -5.24 7.24 -4.52 0.06 3.02 -1.26 -4.90 115.26 109.66 3iak n ASN 251 Ca 0.20 -3.58 -0.30 0.00 -0.03 0.00 0.00 54.58 50.86 3iak n ASN 251 Cb 0.63 -1.06 -0.11 0.00 -0.61 0.00 0.00 39.78 38.62 3iak n ASN 251 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3iak s LEU 252 N -3.29 2.83 0.52 3.41 1.02 -0.50 -4.72 118.68 117.95 3iak s LEU 252 Ca 0.54 -0.44 -0.21 0.00 0.02 0.00 0.00 54.13 54.04 3iak s LEU 252 Cb 0.42 -1.65 -0.06 0.00 0.02 0.00 0.00 46.19 44.92 3iak s LEU 252 CO -0.17 0.21 1.21 0.42 0.02 0.00 0.00 176.35 178.03 3iak s THR 253 N -1.10 2.81 0.32 5.49 -4.23 -1.26 -4.79 115.64 112.87 3iak s THR 253 Ca 0.18 0.56 0.06 0.00 -1.18 0.00 0.00 61.69 61.31 3iak s THR 253 Cb -0.11 -3.26 0.31 0.00 1.34 0.00 0.00 72.50 70.78 3iak s THR 253 CO 0.10 -0.05 1.82 0.50 -0.54 0.00 0.00 174.62 176.45 3iak h LYS 254 N 1.51 0.77 -0.79 3.99 3.64 -1.98 0.29 116.57 124.01 3iak h LYS 254 Ca -0.50 -0.05 0.07 0.00 -1.27 0.00 0.00 60.65 58.91 3iak h LYS 254 Cb 1.27 -0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 32.85 3iak h LYS 254 CO 0.58 0.51 0.46 -0.22 -2.27 0.00 0.00 179.45 178.51 3iak h LYS 255 N 0.80 0.78 0.26 1.90 3.64 -1.99 0.12 116.57 122.08 3iak h LYS 255 Ca 0.51 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.83 3iak h LYS 255 Cb 0.75 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3iak h LYS 255 CO -0.29 0.52 -0.12 1.96 -2.27 0.00 0.00 179.45 179.25 3iak h GLN 256 N 0.81 -0.33 -0.93 1.90 4.20 -1.42 -2.43 115.11 116.91 3iak h GLN 256 Ca 0.36 0.02 0.17 0.00 0.06 0.00 0.00 58.65 59.27 3iak h GLN 256 Cb 0.26 0.08 -0.10 0.00 0.30 0.00 0.00 27.48 28.01 3iak h GLN 256 CO -0.21 0.02 0.52 -0.09 -0.67 0.00 0.00 178.83 178.41 3iak h ARG 257 N -0.90 0.66 -0.12 1.46 9.65 -0.92 0.35 114.38 124.56 3iak h ARG 257 Ca -0.04 -0.04 -0.17 0.00 -1.10 0.00 0.00 59.98 58.64 3iak h ARG 257 Cb 0.51 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.93 3iak h ARG 257 CO 0.06 0.44 -0.64 1.96 2.80 0.00 0.00 179.97 184.59 3iak h GLN 258 N 0.68 0.44 -0.30 0.20 4.20 -0.83 -2.22 115.11 117.28 3iak h GLN 258 Ca 0.53 -0.32 -0.14 0.00 0.06 0.00 0.00 58.65 58.78 3iak h GLN 258 Cb 0.80 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.63 3iak h GLN 258 CO -0.38 0.94 -0.36 1.03 -0.67 0.00 0.00 178.83 179.38 3iak h SER 259 N 0.32 0.84 0.08 1.46 0.87 -0.67 -2.74 113.55 113.71 3iak h SER 259 Ca -0.01 -0.49 -0.00 0.00 -1.23 0.00 0.00 61.79 60.06 3iak h SER 259 Cb 1.19 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.91 3iak h SER 259 CO 0.11 1.16 -0.05 0.25 -0.53 0.00 0.00 176.83 177.77 3iak h LEU 260 N 0.54 -0.12 -0.58 2.23 6.46 -0.36 -2.06 115.31 121.41 3iak h LEU 260 Ca 0.04 0.01 0.05 0.00 -0.12 0.00 0.00 57.88 57.85 3iak h LEU 260 Cb 0.95 0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.87 3iak h LEU 260 CO 0.09 -0.08 0.32 -0.09 -0.62 0.00 0.00 178.44 178.05 3iak h ARG 261 N -0.13 0.59 -0.64 1.25 2.43 -1.44 0.11 114.38 116.55 3iak h ARG 261 Ca -0.01 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.22 3iak h ARG 261 Cb 0.11 -0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 29.46 3iak h ARG 261 CO 0.01 0.39 0.28 -0.22 -1.51 0.00 0.00 179.97 178.92 3iak h LYS 262 N 0.61 0.48 -0.04 0.20 3.64 -1.29 -1.46 116.57 118.71 3iak h LYS 262 Ca 0.25 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.58 3iak h LYS 262 Cb 0.13 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3iak h LYS 262 CO -0.15 0.32 -0.06 0.52 -2.27 0.00 0.00 179.45 177.80 3iak h MET 263 N 0.50 0.11 -0.75 1.90 2.86 -0.60 -2.56 114.93 116.39 3iak h MET 263 Ca 0.32 -0.07 0.05 0.00 -2.06 0.00 0.00 59.70 57.94 3iak h MET 263 Cb 0.35 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.96 3iak h MET 263 CO -0.27 0.63 0.45 0.28 1.06 0.00 0.00 176.91 179.05 3iak h VAL 264 N -0.39 1.02 -0.25 -2.22 2.07 -0.66 -1.16 116.25 114.67 3iak h VAL 264 Ca 0.00 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 3iak h VAL 264 Cb 0.62 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 3iak h VAL 264 CO 0.01 0.15 0.15 0.40 0.02 0.00 0.00 177.57 178.30 3iak h ILE 265 N 0.83 1.10 -0.88 4.57 2.04 -1.33 -2.05 117.51 121.79 3iak h ILE 265 Ca 0.32 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 3iak h ILE 265 Cb 0.14 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 3iak h ILE 265 CO -0.16 0.09 0.50 0.44 0.00 0.00 0.00 178.15 179.02 3iak h ASP 266 N 0.30 1.08 0.64 1.72 3.45 -0.96 -2.38 116.42 120.27 3iak h ASP 266 Ca 0.09 -0.08 -0.03 0.00 0.43 0.00 0.00 57.03 57.43 3iak h ASP 266 Cb 0.02 -0.27 0.01 0.00 -0.56 0.00 0.00 39.33 38.53 3iak h ASP 266 CO -0.02 0.85 -0.31 0.40 -1.57 0.00 0.00 179.24 178.60 3iak h ILE 267 N 1.22 0.00 -0.98 0.35 2.04 -1.14 -3.13 117.51 115.87 3iak h ILE 267 Ca 0.31 -0.37 0.11 0.00 1.00 0.00 0.00 64.86 65.91 3iak h ILE 267 Cb -0.00 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.00 3iak h ILE 267 CO -0.05 0.00 0.62 0.58 0.00 0.00 0.00 178.15 179.30 3iak h VAL 268 N -1.22 0.95 0.00 1.67 2.07 -1.35 0.93 116.25 119.29 3iak h VAL 268 Ca -0.09 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 3iak h VAL 268 Cb 0.65 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 3iak h VAL 268 CO 0.14 0.18 -0.15 -0.07 0.02 0.00 0.00 177.57 177.70 3iak h LEU 269 N 0.99 0.00 -0.30 2.57 3.38 -1.52 -1.24 115.31 119.20 3iak h LEU 269 Ca 0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.44 3iak h LEU 269 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3iak h LEU 269 CO -0.23 0.15 0.00 0.00 0.09 0.00 0.00 178.44 178.45 3iak n ALA 270 N -2.36 1.97 0.47 1.53 0.00 0.31 -2.97 120.51 119.46 3iak n ALA 270 Ca -0.02 0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.56 3iak n ALA 270 Cb 0.24 -1.42 0.46 0.00 0.00 0.00 0.00 19.45 18.73 3iak n ALA 270 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3iak h THR 271 N 0.00 0.00 -2.25 0.00 1.35 -1.13 -3.44 112.91 107.44 3iak h THR 271 Ca 0.00 -0.39 -0.58 0.00 -0.55 0.00 0.00 66.41 64.90 3iak h THR 271 Cb 0.52 1.25 0.04 0.00 -1.73 0.00 0.00 68.15 68.23 3iak h THR 271 CO 0.00 0.00 1.03 -0.67 -0.25 0.00 0.00 175.52 175.63 3iak n ASP 272 N -2.36 3.59 0.28 5.36 -0.08 -1.16 -4.87 116.55 117.31 3iak n ASP 272 Ca 0.03 1.00 0.16 0.00 -1.51 0.00 0.00 54.79 54.47 3iak n ASP 272 Cb 0.33 -1.45 0.75 0.00 2.34 0.00 0.00 41.12 43.09 3iak n ASP 272 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 3iak h MET 273 N 8.27 0.00 0.00 -0.67 2.86 -1.92 -1.89 114.93 121.58 3iak h MET 273 Ca -0.47 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 3iak h MET 273 Cb 1.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.91 3iak h MET 273 CO 0.93 0.07 0.00 -1.13 1.06 0.00 0.00 176.91 177.84 3iak n SER 274 N -3.26 0.00 -0.00 1.22 3.41 -1.26 -2.50 113.62 111.23 3iak n SER 274 Ca -0.01 -0.11 0.11 0.00 -0.26 0.00 0.00 58.87 58.60 3iak n SER 274 Cb 0.27 -0.25 -0.13 0.00 -0.26 0.00 0.00 64.21 63.84 3iak n SER 274 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3iak n LYS 275 N -1.25 0.36 -0.35 4.33 5.02 -0.71 -4.62 118.16 120.94 3iak n LYS 275 Ca 0.11 -0.10 0.09 0.00 -2.02 0.00 0.00 58.31 56.40 3iak n LYS 275 Cb 0.16 -1.52 0.20 0.00 -0.02 0.00 0.00 35.03 33.85 3iak n LYS 275 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 3iak n HIS 276 N -1.92 0.47 -0.20 2.13 -0.00 -1.04 -0.88 115.22 113.77 3iak n HIS 276 Ca -0.00 1.20 -0.03 0.00 0.46 0.00 0.00 57.72 59.34 3iak n HIS 276 Cb 0.46 -1.14 0.16 0.00 -0.12 0.00 0.00 29.99 29.34 3iak n HIS 276 CO 0.00 0.00 0.00 0.52 0.46 0.00 0.00 176.34 177.32 3iak h MET 277 N 0.00 0.99 -0.06 1.57 2.86 -1.82 -1.21 114.93 117.26 3iak h MET 277 Ca 0.52 -0.17 -0.05 0.00 -2.06 0.00 0.00 59.70 57.94 3iak h MET 277 Cb 0.93 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.42 3iak h MET 277 CO -0.98 0.81 -0.17 -0.91 1.06 0.00 0.00 176.91 176.72 3iak h ASN 278 N 0.97 0.25 -0.48 1.22 2.35 -1.33 -2.21 115.58 116.35 3iak h ASN 278 Ca 0.22 -0.61 0.10 0.00 -0.55 0.00 0.00 56.30 55.46 3iak h ASN 278 Cb 0.20 -0.07 -0.08 0.00 0.05 0.00 0.00 38.32 38.42 3iak h ASN 278 CO -0.02 0.81 -0.05 -0.07 -1.65 0.00 0.00 177.43 176.46 3iak h LEU 279 N -0.29 -0.31 -0.02 1.61 3.38 -1.20 0.16 115.31 118.64 3iak h LEU 279 Ca -0.00 0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3iak h LEU 279 Cb 0.79 0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 3iak h LEU 279 CO 0.04 -0.11 0.01 0.25 0.09 0.00 0.00 178.44 178.72 3iak h LEU 280 N 0.06 0.02 -0.44 1.67 5.85 -1.26 0.19 115.31 121.41 3iak h LEU 280 Ca 0.24 -0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.97 3iak h LEU 280 Cb 0.36 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 3iak h LEU 280 CO -0.44 0.08 0.06 0.00 -0.34 0.00 0.00 178.44 177.80 3iak h ALA 281 N 0.94 0.46 -0.84 1.25 0.00 -0.99 0.60 119.26 120.69 3iak h ALA 281 Ca 0.01 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3iak h ALA 281 Cb 0.06 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3iak h ALA 281 CO -0.00 -0.34 0.55 -0.44 0.00 0.00 0.00 179.25 179.02 3iak h ASP 282 N 0.18 0.95 -0.35 0.00 3.32 -0.32 -2.38 116.42 117.82 3iak h ASP 282 Ca 0.22 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.15 3iak h ASP 282 Cb 0.29 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3iak h ASP 282 CO -0.31 0.68 -0.11 0.25 -1.72 0.00 0.00 179.24 178.03 3iak h LEU 283 N 1.12 0.79 -0.47 1.55 5.85 0.27 -2.37 115.31 122.05 3iak h LEU 283 Ca 0.31 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3iak h LEU 283 Cb -0.11 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.69 3iak h LEU 283 CO -0.08 0.92 0.30 0.11 -0.34 0.00 0.00 178.44 179.36 3iak h LYS 284 N 0.72 0.62 -0.76 1.25 1.57 -0.56 -2.13 116.57 117.28 3iak h LYS 284 Ca 0.12 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 3iak h LYS 284 Cb 0.60 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.73 3iak h LYS 284 CO 0.04 0.43 0.50 1.15 -0.57 0.00 0.00 179.45 181.00 3iak h THR 285 N 0.63 1.17 -0.15 -0.16 2.02 -1.22 -2.54 112.91 112.66 3iak h THR 285 Ca 0.17 -0.34 -0.06 0.00 0.77 0.00 0.00 66.41 66.95 3iak h THR 285 Cb -0.05 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.43 3iak h THR 285 CO -0.04 0.18 -0.16 -0.03 0.37 0.00 0.00 175.52 175.84 3iak h MET 286 N 1.01 0.25 -0.56 6.66 1.85 -1.12 -2.68 114.93 120.33 3iak h MET 286 Ca 0.29 -0.06 -0.05 0.00 -0.61 0.00 0.00 59.70 59.26 3iak h MET 286 Cb -0.08 -0.03 -0.02 0.00 0.43 0.00 0.00 31.60 31.89 3iak h MET 286 CO -0.07 0.42 0.17 0.28 -0.40 0.00 0.00 176.91 177.30 3iak h VAL 287 N 0.23 1.24 -0.73 -5.77 2.07 -0.97 -2.49 116.25 109.84 3iak h VAL 287 Ca 0.04 -0.82 -0.04 0.00 0.82 0.00 0.00 66.70 66.71 3iak h VAL 287 Cb 0.43 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 3iak h VAL 287 CO 0.03 0.31 0.31 -0.33 0.02 0.00 0.00 177.57 177.90 3iak h GLU 288 N 0.79 1.06 -0.62 1.57 5.08 -1.30 -2.98 114.58 118.18 3iak h GLU 288 Ca 0.18 -0.17 -0.32 0.00 -1.00 0.00 0.00 59.36 58.05 3iak h GLU 288 Cb 0.29 -0.18 -0.19 0.00 0.50 0.00 0.00 28.75 29.17 3iak h GLU 288 CO -0.00 0.85 0.22 0.25 -1.00 0.00 0.00 179.01 179.32 3iak n THR 289 N -4.30 2.83 -2.27 1.13 -2.24 -1.16 -5.02 114.28 103.25 3iak n THR 289 Ca 0.07 -2.40 -0.37 0.00 -2.27 0.00 0.00 64.05 59.08 3iak n THR 289 Cb 0.16 -0.38 -0.01 0.00 -2.10 0.00 0.00 70.33 68.00 3iak n THR 289 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3iak s LYS 290 N -3.26 3.86 -0.14 -0.78 -2.85 -0.94 -5.03 119.74 110.59 3iak s LYS 290 Ca 0.50 1.80 0.02 0.00 -1.00 0.00 0.00 55.97 57.29 3iak s LYS 290 Cb 0.44 -2.50 0.01 0.00 -2.06 0.00 0.00 37.83 33.72 3iak s LYS 290 CO 0.04 -0.48 -0.21 0.15 0.10 0.00 0.00 175.35 174.96 3iak s LYS 291 N -2.57 2.89 0.08 1.78 1.02 -1.26 -5.05 119.74 116.64 3iak s LYS 291 Ca 0.61 -0.81 0.08 0.00 0.02 0.00 0.00 55.97 55.88 3iak s LYS 291 Cb -0.29 -2.35 -0.03 0.00 -0.52 0.00 0.00 37.83 34.63 3iak s LYS 291 CO 0.36 -0.03 -0.22 0.14 -0.92 0.00 0.00 175.35 174.69 3iak s VAL 292 N 0.86 1.76 0.95 3.17 -7.23 -1.26 0.12 120.40 118.77 3iak s VAL 292 Ca -0.07 -1.44 -0.15 0.00 -1.81 0.00 0.00 61.98 58.51 3iak s VAL 292 Cb -0.15 -1.57 0.18 0.00 0.56 0.00 0.00 36.38 35.40 3iak s VAL 292 CO -0.02 0.05 1.25 0.42 -0.31 0.00 0.00 175.10 176.49 3iak s THR 293 N -1.02 1.95 0.30 5.32 -4.23 0.19 -4.88 115.64 113.26 3iak s THR 293 Ca 0.08 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.60 3iak s THR 293 Cb -0.10 -2.91 0.28 0.00 1.34 0.00 0.00 72.50 71.12 3iak s THR 293 CO 0.04 0.00 1.89 0.77 -0.54 0.00 0.00 174.62 176.78 3iak h SER 294 N -1.62 0.91 -0.16 3.99 4.64 -2.02 -0.77 113.55 118.52 3iak h SER 294 Ca -0.45 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 60.85 3iak h SER 294 Cb 1.27 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 3iak h SER 294 CO 0.46 0.56 0.02 0.28 -0.87 0.00 0.00 176.83 177.28 3iak h SER 295 N 1.02 0.35 0.00 4.97 0.02 -2.05 -3.47 113.55 114.39 3iak h SER 295 Ca 0.41 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 3iak h SER 295 Cb 0.27 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.72 3iak h SER 295 CO -0.17 0.40 0.00 0.61 -1.14 0.00 0.00 176.83 176.53 3iak n GLY 296 N -1.08 1.75 3.84 -3.77 0.00 -0.29 -5.08 105.19 100.56 3iak n GLY 296 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 3iak n GLY 296 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iak s VAL 297 N -2.00 5.37 0.33 1.61 1.01 -1.26 -4.51 120.40 120.95 3iak s VAL 297 Ca 0.00 0.39 -0.28 0.00 0.00 0.00 0.00 61.98 62.08 3iak s VAL 297 Cb 0.00 -3.50 -0.10 0.00 0.00 0.00 0.00 36.38 32.78 3iak s VAL 297 CO 0.00 0.57 1.26 -0.76 0.00 0.00 0.00 175.10 176.17 3iak s LEU 298 N -0.79 4.43 -0.34 3.92 1.43 -0.72 -0.64 118.68 125.97 3iak s LEU 298 Ca 0.17 2.59 -0.10 0.00 -1.03 0.00 0.00 54.13 55.76 3iak s LEU 298 Cb -0.13 -3.68 0.01 0.00 0.03 0.00 0.00 46.19 42.42 3iak s LEU 298 CO 0.06 -0.49 0.17 -0.76 0.23 0.00 0.00 176.35 175.56 3iak s LEU 299 N -1.80 4.34 -0.38 1.79 1.43 0.32 -4.90 118.68 119.47 3iak s LEU 299 Ca 0.49 -0.72 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 3iak s LEU 299 Cb -0.38 -2.01 0.13 0.00 0.03 0.00 0.00 46.19 43.96 3iak s LEU 299 CO 0.50 -0.27 0.19 -0.76 0.23 0.00 0.00 176.35 176.24 3iak s LEU 300 N 1.58 2.22 -0.05 1.79 1.43 -1.26 -4.46 118.68 119.93 3iak s LEU 300 Ca 0.03 -2.24 -0.24 0.00 -1.03 0.00 0.00 54.13 50.65 3iak s LEU 300 Cb -0.18 -0.86 -0.23 0.00 0.03 0.00 0.00 46.19 44.95 3iak s LEU 300 CO 0.06 -0.32 1.03 -0.78 0.23 0.00 0.00 176.35 176.57 3iak h ASP 301 N 7.20 0.22 -3.59 2.29 -0.00 -1.99 -3.46 116.42 117.10 3iak h ASP 301 Ca -0.04 -0.77 -0.51 0.00 -0.00 0.00 0.00 57.03 55.71 3iak h ASP 301 Cb 0.96 -0.07 -0.02 0.00 -0.00 0.00 0.00 39.33 40.20 3iak h ASP 301 CO 0.44 0.96 0.01 0.54 -0.00 0.00 0.00 179.24 181.18 3iak s ASN 302 N -6.30 6.68 0.27 2.28 4.22 -1.26 -4.99 114.94 115.83 3iak s ASN 302 Ca -0.16 1.10 0.00 0.00 -2.14 0.00 0.00 52.86 51.66 3iak s ASN 302 Cb 0.01 -2.30 0.55 0.00 1.28 0.00 0.00 41.25 40.79 3iak s ASN 302 CO 0.74 -0.17 1.79 0.22 -2.04 0.00 0.00 177.10 177.64 3iak h TYR 303 N 2.25 0.92 -0.82 1.54 3.20 -2.00 -2.86 116.97 119.21 3iak h TYR 303 Ca -0.47 0.03 0.14 0.00 3.14 0.00 0.00 58.73 61.57 3iak h TYR 303 Cb 1.17 -0.28 -0.09 0.00 1.54 0.00 0.00 36.73 39.08 3iak h TYR 303 CO 0.61 0.29 0.41 1.03 -1.64 0.00 0.00 178.16 178.86 3iak h SER 304 N 0.77 0.49 0.14 -2.11 0.87 -1.99 -0.78 113.55 110.93 3iak h SER 304 Ca 0.48 0.09 -0.29 0.00 -1.23 0.00 0.00 61.79 60.84 3iak h SER 304 Cb 0.60 0.01 0.03 0.00 -0.44 0.00 0.00 62.40 62.60 3iak h SER 304 CO -0.32 0.22 -1.19 0.44 -0.53 0.00 0.00 176.83 175.45 3iak h ASP 305 N 0.60 0.85 0.41 6.23 3.32 -1.92 -3.23 116.42 122.68 3iak h ASP 305 Ca 0.44 -0.76 -0.02 0.00 0.02 0.00 0.00 57.03 56.71 3iak h ASP 305 Cb 0.60 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3iak h ASP 305 CO -0.35 1.56 -0.20 0.03 -1.72 0.00 0.00 179.24 178.56 3iak h ARG 306 N 0.29 -0.54 -0.50 3.56 3.08 -1.18 -2.52 114.38 116.57 3iak h ARG 306 Ca -0.17 0.04 0.02 0.00 0.07 0.00 0.00 59.98 59.94 3iak h ARG 306 Cb 1.85 0.12 -0.03 0.00 0.08 0.00 0.00 29.97 32.00 3iak h ARG 306 CO 0.23 -0.29 0.33 0.97 -1.07 0.00 0.00 179.97 180.14 3iak h ILE 307 N -0.69 1.07 -0.75 2.04 6.09 -1.32 -1.58 117.51 122.37 3iak h ILE 307 Ca -0.06 -0.20 -0.04 0.00 -1.37 0.00 0.00 64.86 63.19 3iak h ILE 307 Cb 0.50 0.43 -0.03 0.00 0.47 0.00 0.00 36.82 38.19 3iak h ILE 307 CO 0.09 0.11 0.30 -0.61 -3.07 0.00 0.00 178.15 174.97 3iak h GLN 308 N 0.59 1.11 -0.32 2.19 4.15 -1.54 0.72 115.11 122.02 3iak h GLN 308 Ca 0.20 -0.20 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 3iak h GLN 308 Cb 0.06 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.55 3iak h GLN 308 CO -0.05 0.91 0.00 0.28 -1.93 0.00 0.00 178.83 178.04 3iak h VAL 309 N 1.09 1.26 -0.90 2.39 2.07 -0.87 -2.15 116.25 119.14 3iak h VAL 309 Ca 0.25 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 3iak h VAL 309 Cb 0.21 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 3iak h VAL 309 CO -0.02 0.31 0.51 -0.07 0.02 0.00 0.00 177.57 178.32 3iak h LEU 310 N 0.36 1.10 0.06 2.57 3.38 -1.12 0.11 115.31 121.78 3iak h LEU 310 Ca 0.09 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.99 3iak h LEU 310 Cb 0.44 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3iak h LEU 310 CO 0.02 0.87 -0.10 1.56 0.09 0.00 0.00 178.44 180.88 3iak h GLN 311 N 1.25 -0.19 -0.45 1.13 4.20 -0.72 -1.93 115.11 118.40 3iak h GLN 311 Ca 0.32 0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.98 3iak h GLN 311 Cb -0.01 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 3iak h GLN 311 CO -0.06 -0.13 0.02 -0.91 -0.67 0.00 0.00 178.83 177.09 3iak h ASN 312 N -0.20 0.69 0.03 1.46 2.35 -1.17 -2.03 115.58 116.70 3iak h ASN 312 Ca 0.02 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 3iak h ASN 312 Cb 0.21 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 3iak h ASN 312 CO -0.06 0.74 -0.02 -0.03 -1.65 0.00 0.00 177.43 176.41 3iak h MET 313 N 0.69 -0.05 -0.01 0.81 4.05 -0.49 0.19 114.93 120.11 3iak h MET 313 Ca 0.14 0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 59.43 3iak h MET 313 Cb 0.39 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.18 3iak h MET 313 CO 0.01 -0.03 -0.62 0.28 0.23 0.00 0.00 176.91 176.78 3iak h VAL 314 N -0.05 1.43 -0.60 -5.77 2.07 -1.33 -0.10 116.25 111.90 3iak h VAL 314 Ca 0.00 -2.09 -0.08 0.00 0.82 0.00 0.00 66.70 65.35 3iak h VAL 314 Cb 0.05 2.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 3iak h VAL 314 CO -0.00 0.60 0.06 -0.74 0.02 0.00 0.00 177.57 177.51 3iak h HIS 315 N 0.04 1.09 -0.40 1.57 6.17 -1.08 0.18 115.15 122.72 3iak h HIS 315 Ca -0.01 -0.17 -0.04 0.00 0.71 0.00 0.00 60.37 60.87 3iak h HIS 315 Cb 1.10 -0.29 -0.02 0.00 2.52 0.00 0.00 27.41 30.72 3iak h HIS 315 CO 0.00 0.95 0.10 0.00 0.71 0.00 0.00 177.93 179.69 3iak h ALA 317 N 0.95 1.35 0.00 0.00 0.00 -0.76 -0.97 119.26 119.82 3iak h ALA 317 Ca 0.13 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3iak h ALA 317 Cb 0.31 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3iak h ALA 317 CO 0.00 0.56 -0.25 0.22 0.00 0.00 0.00 179.25 179.79 3iak h ASP 318 N 1.27 0.00 -1.77 0.00 3.58 -0.33 -3.03 116.42 116.13 3iak h ASP 318 Ca 0.39 0.00 -0.64 0.00 0.42 0.00 0.00 57.03 57.20 3iak h ASP 318 Cb -0.02 0.00 -0.38 0.00 1.72 0.00 0.00 39.33 40.65 3iak h ASP 318 CO -0.12 0.25 -0.26 0.18 -2.88 0.00 0.00 179.24 176.41 3iak n LEU 319 N -4.17 5.38 -0.00 2.28 4.77 -0.43 -4.73 117.00 120.11 3iak n LEU 319 Ca -0.02 -5.22 0.05 0.00 -0.03 0.00 0.00 56.01 50.79 3iak n LEU 319 Cb 0.31 -0.63 -0.06 0.00 -2.33 0.00 0.00 43.42 40.70 3iak n LEU 319 CO 0.37 2.15 -0.03 -1.54 -1.33 0.00 0.00 177.39 177.01 3iak n SER 320 N -0.44 0.54 -0.24 -1.43 3.41 -0.84 -4.68 113.62 109.95 3iak n SER 320 Ca 0.41 -0.75 -0.01 0.00 -0.26 0.00 0.00 58.87 58.26 3iak n SER 320 Cb 0.51 1.00 0.06 0.00 -0.26 0.00 0.00 64.21 65.53 3iak n SER 320 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3iak h ASN 321 N 0.00 -0.83 0.36 4.04 -0.26 -1.84 0.22 115.58 117.27 3iak h ASN 321 Ca 0.00 0.22 0.00 0.00 -0.56 0.00 0.00 56.30 55.96 3iak h ASN 321 Cb 0.26 0.49 0.00 0.00 -1.06 0.00 0.00 38.32 38.01 3iak h ASN 321 CO 0.00 -0.26 0.00 -2.65 -1.06 0.00 0.00 177.43 173.46 3iak n PRO 322 N -5.47 0.05 0.00 0.81 -0.02 -1.26 -2.33 135.00 126.78 3iak n PRO 322 Ca 0.08 0.26 0.12 0.00 -2.02 0.00 0.00 63.50 61.94 3iak n PRO 322 Cb 0.37 -1.50 0.19 0.00 -0.02 0.00 0.00 33.50 32.54 3iak n PRO 322 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3iak n THR 323 N -1.44 0.00 -2.91 3.45 -2.24 0.77 -4.29 114.28 107.63 3iak n THR 323 Ca 0.04 -0.43 -0.24 0.00 -2.27 0.00 0.00 64.05 61.14 3iak n THR 323 Cb 0.13 1.26 0.01 0.00 -2.10 0.00 0.00 70.33 69.63 3iak n THR 323 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3iak s LYS 324 N -2.02 3.19 0.16 -0.78 -0.14 -0.99 -4.69 119.74 114.48 3iak s LYS 324 Ca 0.30 -0.27 -0.33 0.00 -1.36 0.00 0.00 55.97 54.30 3iak s LYS 324 Cb 0.20 -2.50 -0.16 0.00 -1.68 0.00 0.00 37.83 33.69 3iak s LYS 324 CO 0.32 -0.25 1.19 -0.35 -0.76 0.00 0.00 175.35 175.49 3iak n PRO 325 N -2.14 1.17 -0.32 -1.68 -0.04 -1.26 -4.59 135.00 126.14 3iak n PRO 325 Ca 0.01 0.42 0.23 0.00 -0.04 0.00 0.00 63.50 64.11 3iak n PRO 325 Cb 0.57 -1.94 0.45 0.00 -0.04 0.00 0.00 33.50 32.54 3iak n PRO 325 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3iak h LEU 326 N 3.53 0.26 -0.86 1.53 5.85 -1.95 0.24 115.31 123.91 3iak h LEU 326 Ca -0.44 0.22 0.23 0.00 0.84 0.00 0.00 57.88 58.73 3iak h LEU 326 Cb 1.34 0.23 -0.14 0.00 0.37 0.00 0.00 40.66 42.46 3iak h LEU 326 CO 0.71 -0.24 0.19 -0.61 -0.34 0.00 0.00 178.44 178.15 3iak h GLN 327 N 0.19 0.18 0.18 1.25 5.75 -2.01 -1.59 115.11 119.06 3iak h GLN 327 Ca 0.71 -0.01 -0.28 0.00 -0.15 0.00 0.00 58.65 58.93 3iak h GLN 327 Cb 1.66 -0.04 0.02 0.00 1.07 0.00 0.00 27.48 30.19 3iak h GLN 327 CO -0.69 0.12 -1.29 -0.07 -2.65 0.00 0.00 178.83 174.25 3iak h LEU 328 N 0.19 0.58 -0.71 -2.39 3.38 -0.86 -3.35 115.31 112.15 3iak h LEU 328 Ca 0.53 -0.92 0.12 0.00 0.09 0.00 0.00 57.88 57.71 3iak h LEU 328 Cb 1.05 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 41.53 3iak h LEU 328 CO -0.67 1.60 0.29 0.22 0.09 0.00 0.00 178.44 179.97 3iak h TYR 329 N -0.14 0.49 0.00 1.13 3.20 -1.00 -1.97 116.97 118.68 3iak h TYR 329 Ca -0.24 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.60 3iak h TYR 329 Cb 1.89 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 40.04 3iak h TYR 329 CO 0.15 0.09 -0.29 0.00 -1.64 0.00 0.00 178.16 176.47 3iak h ARG 330 N 0.45 0.00 0.10 1.82 3.08 -1.45 -0.37 114.38 118.02 3iak h ARG 330 Ca 0.38 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 60.15 3iak h ARG 330 Cb 0.53 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.60 3iak h ARG 330 CO -0.36 0.29 -1.20 1.96 -1.07 0.00 0.00 179.97 179.59 3iak h GLN 331 N 0.00 0.53 -0.56 0.04 4.20 -1.52 -2.23 115.11 115.57 3iak h GLN 331 Ca -0.00 -0.71 -0.04 0.00 0.06 0.00 0.00 58.65 57.96 3iak h GLN 331 Cb 0.64 0.23 -0.03 0.00 0.30 0.00 0.00 27.48 28.62 3iak h GLN 331 CO 0.04 1.31 0.18 -1.49 -0.67 0.00 0.00 178.83 178.19 3iak h TRP 332 N 0.24 0.84 -0.40 2.96 -0.00 -0.93 -1.82 115.95 116.84 3iak h TRP 332 Ca -0.16 -0.06 -0.11 0.00 -0.00 0.00 0.00 58.89 58.55 3iak h TRP 332 Cb 1.87 -0.25 -0.01 0.00 -0.00 0.00 0.00 29.16 30.76 3iak h TRP 332 CO 0.10 0.68 -0.21 1.15 -0.00 0.00 0.00 178.44 180.15 3iak h THR 333 N 0.81 1.27 -0.54 1.49 2.02 -1.08 -1.78 112.91 115.10 3iak h THR 333 Ca 0.19 -1.32 -0.07 0.00 0.77 0.00 0.00 66.41 65.97 3iak h THR 333 Cb 0.23 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 3iak h THR 333 CO -0.01 0.44 0.05 0.44 0.37 0.00 0.00 175.52 176.82 3iak h ASP 334 N 0.68 0.89 -0.11 4.18 3.32 -1.00 -2.54 116.42 121.83 3iak h ASP 334 Ca 0.10 -0.28 -0.15 0.00 0.02 0.00 0.00 57.03 56.72 3iak h ASP 334 Cb 0.72 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 3iak h ASP 334 CO 0.06 0.94 -0.45 0.03 -1.72 0.00 0.00 179.24 178.10 3iak h ARG 335 N 0.80 0.66 -0.06 3.56 3.08 -1.28 -2.06 114.38 119.09 3iak h ARG 335 Ca 0.16 -0.37 -0.13 0.00 0.07 0.00 0.00 59.98 59.71 3iak h ARG 335 Cb 0.46 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 3iak h ARG 335 CO 0.02 0.98 -0.55 0.97 -1.07 0.00 0.00 179.97 180.32 3iak h ILE 336 N 0.53 1.38 -0.10 2.04 6.09 -1.28 -2.51 117.51 123.65 3iak h ILE 336 Ca 0.03 -1.87 -0.23 0.00 -1.37 0.00 0.00 64.86 61.42 3iak h ILE 336 Cb 0.99 1.95 0.01 0.00 0.47 0.00 0.00 36.82 40.25 3iak h ILE 336 CO 0.09 0.55 -0.85 0.24 -3.07 0.00 0.00 178.15 175.11 3iak h MET 337 N 0.13 0.74 -0.72 2.19 2.86 -1.40 -1.35 114.93 117.38 3iak h MET 337 Ca -0.00 -0.66 -0.02 0.00 -2.06 0.00 0.00 59.70 56.96 3iak h MET 337 Cb 1.01 0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.79 3iak h MET 337 CO 0.08 1.26 0.37 1.49 1.06 0.00 0.00 176.91 181.17 3iak h GLU 338 N 0.48 1.01 -0.08 1.72 4.81 -1.32 0.49 114.58 121.69 3iak h GLU 338 Ca -0.07 -0.12 -0.19 0.00 -0.13 0.00 0.00 59.36 58.84 3iak h GLU 338 Cb 1.49 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 30.68 3iak h GLU 338 CO 0.17 0.76 -0.70 1.49 -0.73 0.00 0.00 179.01 180.00 3iak h GLU 339 N 1.01 0.61 -0.66 1.92 4.81 -1.43 -2.47 114.58 118.37 3iak h GLU 339 Ca 0.25 -0.55 -0.01 0.00 -0.13 0.00 0.00 59.36 58.92 3iak h GLU 339 Cb 0.06 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 3iak h GLU 339 CO -0.04 1.17 0.38 0.74 -0.73 0.00 0.00 179.01 180.53 3iak h PHE 340 N 0.24 0.88 -0.10 0.92 -1.00 -1.02 -2.62 116.94 114.25 3iak h PHE 340 Ca -0.07 -0.01 -0.10 0.00 2.81 0.00 0.00 57.97 60.61 3iak h PHE 340 Cb 1.36 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 40.62 3iak h PHE 340 CO 0.11 0.61 -0.37 0.74 -1.61 0.00 0.00 178.31 177.79 3iak h PHE 341 N 0.89 0.23 -0.63 -0.55 0.04 -0.93 -1.52 116.94 114.48 3iak h PHE 341 Ca 0.23 -0.06 -0.06 0.00 2.80 0.00 0.00 57.97 60.89 3iak h PHE 341 Cb 0.01 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.08 3iak h PHE 341 CO -0.01 0.55 0.16 0.00 -0.60 0.00 0.00 178.31 178.40 3iak h ARG 342 N 0.17 0.98 0.08 1.51 3.08 -1.18 -1.22 114.38 117.80 3iak h ARG 342 Ca 0.02 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 59.85 3iak h ARG 342 Cb 0.74 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.65 3iak h ARG 342 CO 0.06 0.87 -0.04 0.37 -1.07 0.00 0.00 179.97 180.16 3iak h GLN 343 N 0.94 -0.11 -0.40 0.04 4.15 -1.10 -2.77 115.11 115.85 3iak h GLN 343 Ca 0.20 0.01 0.11 0.00 0.77 0.00 0.00 58.65 59.74 3iak h GLN 343 Cb 0.33 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.03 3iak h GLN 343 CO -0.00 0.28 0.29 0.78 -1.93 0.00 0.00 178.83 178.25 3iak h GLY 344 N -0.53 0.06 0.77 2.39 0.00 -1.23 0.16 103.07 104.70 3iak h GLY 344 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 3iak h GLY 344 CO 0.02 0.01 -0.14 -0.55 0.00 0.00 0.00 176.54 175.88 3iak h ASP 345 N 0.04 -0.34 -0.95 0.19 3.32 -1.17 -1.07 116.42 116.45 3iak h ASP 345 Ca 0.19 -0.13 0.06 0.00 0.02 0.00 0.00 57.03 57.17 3iak h ASP 345 Cb 0.71 0.09 -0.06 0.00 0.22 0.00 0.00 39.33 40.29 3iak h ASP 345 CO -0.01 -0.05 0.61 0.03 -1.72 0.00 0.00 179.24 178.10 3iak h ARG 346 N -0.63 1.08 -0.33 3.56 3.08 -0.92 -0.66 114.38 119.57 3iak h ARG 346 Ca -0.04 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 3iak h ARG 346 Cb 0.45 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 3iak h ARG 346 CO 0.07 0.72 0.07 0.93 -1.07 0.00 0.00 179.97 180.68 3iak h GLU 347 N 1.12 0.48 -0.15 0.04 5.08 -0.69 -2.14 114.58 118.31 3iak h GLU 347 Ca 0.40 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.60 3iak h GLU 347 Cb 0.14 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 3iak h GLU 347 CO -0.16 0.46 -0.24 -0.09 -1.00 0.00 0.00 179.01 177.98 3iak h ARG 348 N 0.48 0.43 0.00 2.33 2.43 0.20 0.08 114.38 120.33 3iak h ARG 348 Ca 0.11 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 3iak h ARG 348 Cb 0.21 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3iak h ARG 348 CO -0.00 0.85 0.00 1.49 -1.51 0.00 0.00 179.97 180.80 3iak h GLU 349 N 0.05 0.00 -0.00 0.20 4.57 -1.10 -2.04 114.58 116.26 3iak h GLU 349 Ca 0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3iak h GLU 349 Cb 0.81 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.40 3iak h GLU 349 CO 0.05 0.00 -0.55 0.54 -1.18 0.00 0.00 179.01 177.87 3iak n ARG 350 N -2.74 0.28 -2.29 1.92 1.74 -0.82 -4.97 116.66 109.77 3iak n ARG 350 Ca 0.02 -0.19 -0.08 0.00 -0.77 0.00 0.00 57.85 56.83 3iak n ARG 350 Cb 0.30 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 3iak n ARG 350 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iak n GLY 351 N 1.46 0.14 3.96 -0.13 0.00 -0.77 -5.05 105.19 104.80 3iak n GLY 351 Ca 0.07 -0.53 -0.22 0.00 0.00 0.00 0.00 46.02 45.34 3iak n GLY 351 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3iak s MET 352 N -4.59 3.30 0.11 1.61 -1.94 -0.02 -5.04 119.30 112.73 3iak s MET 352 Ca 0.04 -0.59 -0.32 0.00 -1.71 0.00 0.00 55.69 53.11 3iak s MET 352 Cb -0.02 -2.71 -0.12 0.00 2.01 0.00 0.00 34.83 33.99 3iak s MET 352 CO 0.05 0.09 1.78 0.39 -0.01 0.00 0.00 175.02 177.32 3iak n GLU 353 N -1.75 2.57 -2.55 2.03 -0.58 -1.26 -4.61 120.64 114.49 3iak n GLU 353 Ca -0.03 0.93 -0.42 0.00 -0.42 0.00 0.00 57.16 57.22 3iak n GLU 353 Cb 0.57 -2.79 -0.03 0.00 -0.57 0.00 0.00 31.44 28.62 3iak n GLU 353 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3iak s ILE 354 N 2.44 4.42 0.57 -3.67 1.01 -1.26 -4.98 121.20 119.73 3iak s ILE 354 Ca 0.82 1.74 -0.20 0.00 0.00 0.00 0.00 60.65 63.01 3iak s ILE 354 Cb -0.55 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 37.76 3iak s ILE 354 CO 0.39 0.10 1.25 -0.44 0.00 0.00 0.00 174.94 176.24 3iak s SER 355 N 1.12 5.22 0.17 3.58 0.01 -1.26 -4.91 113.70 117.63 3iak s SER 355 Ca 0.55 2.51 -0.33 0.00 1.31 0.00 0.00 55.95 59.99 3iak s SER 355 Cb -0.25 -2.61 -0.15 0.00 0.21 0.00 0.00 66.02 63.22 3iak s SER 355 CO 0.26 -1.58 1.23 -2.65 0.41 0.00 0.00 173.24 170.91 3iak n PRO 356 N -1.37 1.30 -0.98 12.44 -0.02 -1.26 -1.53 135.00 143.57 3iak n PRO 356 Ca 0.12 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3iak n PRO 356 Cb 0.48 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 3iak n PRO 356 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3iak n MET 357 N 1.94 -0.72 0.00 -0.52 2.81 -1.26 -4.85 117.12 114.53 3iak n MET 357 Ca 0.15 0.18 0.08 0.00 -1.81 0.00 0.00 57.70 56.30 3iak n MET 357 Cb 0.25 -3.74 -0.02 0.00 -0.71 0.00 0.00 33.22 29.00 3iak n MET 357 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3iak s ASP 359 N -2.00 6.31 0.07 0.00 -1.08 -1.26 -3.90 116.67 114.81 3iak s ASP 359 Ca 0.11 -0.39 0.19 0.00 -0.52 0.00 0.00 52.55 51.94 3iak s ASP 359 Cb 0.12 -2.31 0.79 0.00 -1.46 0.00 0.00 42.92 40.06 3iak s ASP 359 CO 0.45 -0.77 1.59 2.29 0.52 0.00 0.00 175.17 179.25 3iak n LYS 360 N 6.22 0.06 0.00 4.34 2.85 -1.26 -2.34 118.16 128.03 3iak n LYS 360 Ca -0.02 0.26 0.12 0.00 -1.05 0.00 0.00 58.31 57.62 3iak n LYS 360 Cb 0.48 -1.60 0.14 0.00 -0.65 0.00 0.00 35.03 33.40 3iak n LYS 360 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 3iak n HIS 361 N -1.70 0.00 -2.67 5.58 8.25 -1.26 -4.13 115.22 119.29 3iak n HIS 361 Ca 0.04 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.44 3iak n HIS 361 Cb 0.22 -0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.37 3iak n HIS 361 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3iak n ASN 362 N 1.02 2.20 -4.84 0.41 3.02 -0.99 -5.12 115.26 110.97 3iak n ASN 362 Ca 0.14 -2.42 -0.33 0.00 -0.03 0.00 0.00 54.58 51.93 3iak n ASN 362 Cb 0.55 -0.46 -0.06 0.00 -0.61 0.00 0.00 39.78 39.20 3iak n ASN 362 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iak s ALA 363 N -3.70 3.27 -0.46 5.41 0.00 -1.15 -4.90 121.76 120.24 3iak s ALA 363 Ca 0.32 0.15 0.07 0.00 0.00 0.00 0.00 51.96 52.49 3iak s ALA 363 Cb 0.35 -2.87 0.29 0.00 0.00 0.00 0.00 23.12 20.89 3iak s ALA 363 CO -0.02 0.28 0.96 0.43 0.00 0.00 0.00 175.76 177.41 3iak n SER 364 N -0.26 -2.11 -0.20 0.00 7.64 -1.26 -5.05 113.62 112.38 3iak n SER 364 Ca 0.03 -3.43 -0.01 0.00 1.01 0.00 0.00 58.87 56.47 3iak n SER 364 Cb 0.53 1.51 0.06 0.00 -1.01 0.00 0.00 64.21 65.29 3iak n SER 364 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3iak h VAL 365 N 2.76 0.40 -0.10 0.44 2.07 -1.99 -0.55 116.25 119.28 3iak h VAL 365 Ca -0.09 -0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 3iak h VAL 365 Cb 1.05 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3iak h VAL 365 CO 0.26 0.00 0.03 -0.33 0.02 0.00 0.00 177.57 177.55 3iak h GLU 366 N 0.00 0.15 -0.13 1.57 3.07 -1.97 -1.59 114.58 115.68 3iak h GLU 366 Ca 0.29 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 59.06 3iak h GLU 366 Cb 0.44 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.32 3iak h GLU 366 CO -0.62 0.29 -0.18 0.87 -1.40 0.00 0.00 179.01 177.97 3iak h LYS 367 N -0.03 0.21 -0.42 2.33 1.57 -1.76 -2.48 116.57 116.00 3iak h LYS 367 Ca 0.03 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 3iak h LYS 367 Cb 0.20 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 3iak h LYS 367 CO -0.00 0.39 0.10 0.77 -0.57 0.00 0.00 179.45 180.13 3iak h SER 368 N 0.20 0.65 -0.69 0.86 0.02 -0.82 -2.37 113.55 111.39 3iak h SER 368 Ca 0.04 -0.24 -0.05 0.00 -0.84 0.00 0.00 61.79 60.70 3iak h SER 368 Cb 0.43 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 3iak h SER 368 CO 0.03 0.72 0.25 1.56 -1.14 0.00 0.00 176.83 178.24 3iak h GLN 369 N 0.55 1.05 -0.59 3.45 1.08 -0.97 0.58 115.11 120.26 3iak h GLN 369 Ca 0.13 -0.21 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 3iak h GLN 369 Cb 0.33 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.57 3iak h GLN 369 CO 0.00 0.89 0.39 0.28 -0.95 0.00 0.00 178.83 179.44 3iak h VAL 370 N 1.00 1.16 -0.36 -0.54 2.07 -1.38 -1.51 116.25 116.68 3iak h VAL 370 Ca 0.23 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 3iak h VAL 370 Cb 0.25 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 3iak h VAL 370 CO -0.01 0.15 0.17 1.23 0.02 0.00 0.00 177.57 179.13 3iak h GLY 371 N 0.80 0.56 0.63 2.17 0.00 -1.15 -0.87 103.07 105.22 3iak h GLY 371 Ca 0.22 -0.29 0.10 0.00 0.00 0.00 0.00 47.33 47.36 3iak h GLY 371 CO -0.05 0.27 0.60 -2.75 0.00 0.00 0.00 176.54 174.61 3iak h PHE 372 N 0.45 1.02 -0.02 5.60 3.57 -0.51 -1.53 116.94 125.51 3iak h PHE 372 Ca 0.12 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.56 3iak h PHE 372 Cb 0.13 -0.33 0.01 0.00 2.79 0.00 0.00 35.95 38.55 3iak h PHE 372 CO -0.01 0.45 -0.33 0.82 -2.23 0.00 0.00 178.31 177.01 3iak h ILE 373 N 0.93 1.49 0.00 1.41 2.04 -1.13 -1.45 117.51 120.80 3iak h ILE 373 Ca 0.44 -1.89 -0.04 0.00 1.00 0.00 0.00 64.86 64.38 3iak h ILE 373 Cb 0.44 2.59 -0.01 0.00 -0.74 0.00 0.00 36.82 39.11 3iak h ILE 373 CO -0.20 0.53 -0.17 0.44 0.00 0.00 0.00 178.15 178.75 3iak h ASP 374 N -0.33 0.00 0.00 1.72 3.32 -0.59 0.11 116.42 120.65 3iak h ASP 374 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3iak h ASP 374 Cb 1.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.59 3iak h ASP 374 CO 0.07 0.17 -0.94 -1.22 -1.72 0.00 0.00 179.24 175.59 3iak n TYR 375 N -4.02 0.00 0.00 4.55 4.02 -0.63 -4.62 117.16 116.47 3iak n TYR 375 Ca -0.02 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.85 3iak n TYR 375 Cb 0.25 -0.01 -0.01 0.00 -0.02 0.00 0.00 39.34 39.56 3iak n TYR 375 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 3iak n ILE 376 N -1.48 0.76 -0.03 -0.72 2.08 -0.92 -4.74 119.36 114.32 3iak n ILE 376 Ca -0.00 0.25 -0.14 0.00 0.56 0.00 0.00 62.75 63.42 3iak n ILE 376 Cb 0.01 -1.56 -0.10 0.00 -0.75 0.00 0.00 39.64 37.24 3iak n ILE 376 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 3iak h VAL 377 N -0.19 1.48 -0.28 1.39 2.07 -1.27 -2.85 116.25 116.60 3iak h VAL 377 Ca 0.00 -1.65 -0.05 0.00 0.82 0.00 0.00 66.70 65.82 3iak h VAL 377 Cb 0.19 2.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 3iak h VAL 377 CO 0.00 0.45 -0.02 -0.74 0.02 0.00 0.00 177.57 177.28 3iak h HIS 378 N -0.43 0.56 -0.71 1.57 -0.00 -1.02 -0.26 115.15 114.86 3iak h HIS 378 Ca -0.01 -0.10 0.04 0.00 -0.00 0.00 0.00 60.37 60.29 3iak h HIS 378 Cb 0.81 -0.14 -0.04 0.00 -0.00 0.00 0.00 27.41 28.04 3iak h HIS 378 CO 0.15 0.67 0.47 -1.35 -0.00 0.00 0.00 177.93 177.87 3iak h PRO 379 N 0.29 0.82 0.15 5.26 0.11 -1.74 -0.05 132.00 136.85 3iak h PRO 379 Ca 0.08 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 3iak h PRO 379 Cb 0.46 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.39 3iak h PRO 379 CO 0.02 0.54 -0.07 1.25 -0.21 0.00 0.00 178.00 179.53 3iak h LEU 380 N 0.84 -0.17 -0.79 2.35 5.85 -1.26 -3.07 115.31 119.05 3iak h LEU 380 Ca 0.29 -0.26 -0.12 0.00 0.84 0.00 0.00 57.88 58.62 3iak h LEU 380 Cb 0.09 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3iak h LEU 380 CO -0.08 0.18 -0.43 -0.50 -0.34 0.00 0.00 178.44 177.27 3iak h TRP 381 N -0.55 0.46 -1.00 1.25 4.06 -0.82 -1.16 115.95 118.18 3iak h TRP 381 Ca -0.02 -0.13 0.05 0.00 2.06 0.00 0.00 58.89 60.85 3iak h TRP 381 Cb 0.43 -0.10 -0.06 0.00 -1.00 0.00 0.00 29.16 28.43 3iak h TRP 381 CO 0.04 0.75 0.65 1.49 -3.56 0.00 0.00 178.44 177.81 3iak h GLU 382 N 0.32 1.20 -0.11 0.49 4.81 -1.10 0.28 114.58 120.46 3iak h GLU 382 Ca 0.03 -0.07 -0.17 0.00 -0.13 0.00 0.00 59.36 59.01 3iak h GLU 382 Cb 0.88 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 3iak h GLU 382 CO 0.07 0.79 -0.65 1.15 -0.73 0.00 0.00 179.01 179.64 3iak h THR 383 N 1.23 1.36 -0.29 0.32 2.02 -1.35 -2.35 112.91 113.85 3iak h THR 383 Ca 0.41 -2.00 -0.12 0.00 0.77 0.00 0.00 66.41 65.48 3iak h THR 383 Cb 0.07 1.98 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 3iak h THR 383 CO -0.14 0.61 -0.31 -0.25 0.37 0.00 0.00 175.52 175.80 3iak h TRP 384 N 0.32 0.69 -0.56 3.16 2.91 -0.57 -2.87 115.95 119.02 3iak h TRP 384 Ca -0.02 -0.17 -0.06 0.00 1.13 0.00 0.00 58.89 59.78 3iak h TRP 384 Cb 1.21 -0.16 -0.02 0.00 -0.51 0.00 0.00 29.16 29.68 3iak h TRP 384 CO 0.04 0.84 0.13 0.00 -1.03 0.00 0.00 178.44 178.42 3iak h ALA 385 N 1.15 0.74 -0.93 2.65 0.00 -0.36 -2.66 119.26 119.85 3iak h ALA 385 Ca 0.06 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.83 3iak h ALA 385 Cb 0.79 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 3iak h ALA 385 CO 0.06 0.45 0.58 -0.44 0.00 0.00 0.00 179.25 179.91 3iak h ASP 386 N 0.81 0.90 -0.22 0.00 5.19 -1.35 0.24 116.42 121.99 3iak h ASP 386 Ca 0.18 0.03 -0.12 0.00 -0.62 0.00 0.00 57.03 56.49 3iak h ASP 386 Cb 0.36 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.69 3iak h ASP 386 CO 0.00 0.55 -0.27 0.25 -3.12 0.00 0.00 179.24 176.65 3iak h LEU 387 N 1.02 0.73 -2.78 1.55 5.85 -1.27 -3.26 115.31 117.15 3iak h LEU 387 Ca 0.42 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3iak h LEU 387 Cb 0.27 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.10 3iak h LEU 387 CO -0.21 0.96 0.00 1.33 -0.34 0.00 0.00 178.44 180.19 3iak n VAL 388 N -4.09 0.93 -0.74 1.05 0.24 -1.03 -4.97 118.33 109.71 3iak n VAL 388 Ca -0.00 -0.97 -0.29 0.00 -2.04 0.00 0.00 64.34 61.04 3iak n VAL 388 Cb 0.45 0.55 -0.04 0.00 -1.47 0.00 0.00 33.84 33.33 3iak n VAL 388 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 3iak n HIS 389 N 0.61 0.49 -1.82 6.34 -0.00 0.83 -1.83 115.22 119.84 3iak n HIS 389 Ca 0.12 0.51 -0.31 0.00 -0.00 0.00 0.00 57.72 58.05 3iak n HIS 389 Cb 0.43 -1.00 0.04 0.00 -0.00 0.00 0.00 29.99 29.46 3iak n HIS 389 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 3iak n PRO 390 N 1.12 3.13 0.11 1.57 -0.04 -1.26 -4.95 135.00 134.68 3iak n PRO 390 Ca 0.11 -3.81 0.00 0.00 -0.04 0.00 0.00 63.50 59.77 3iak n PRO 390 Cb 0.01 -2.28 0.31 0.00 -0.04 0.00 0.00 33.50 31.51 3iak n PRO 390 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3iak h ASP 391 N 2.28 0.24 -0.44 3.54 3.32 -1.65 -2.84 116.42 120.87 3iak h ASP 391 Ca 0.48 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.39 3iak h ASP 391 Cb 0.98 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.42 3iak h ASP 391 CO 1.17 0.50 0.08 0.00 -1.72 0.00 0.00 179.24 179.27 3iak n ALA 392 N -2.48 3.66 -0.11 3.45 0.00 -1.26 -4.49 120.51 119.28 3iak n ALA 392 Ca -0.01 -1.42 -0.12 0.00 0.00 0.00 0.00 53.44 51.90 3iak n ALA 392 Cb 0.36 -1.13 -0.03 0.00 0.00 0.00 0.00 19.45 18.65 3iak n ALA 392 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3iak h GLN 393 N 2.34 0.65 -0.36 0.00 5.75 -1.88 -1.27 115.11 120.35 3iak h GLN 393 Ca 0.08 -0.27 -0.02 0.00 -0.15 0.00 0.00 58.65 58.29 3iak h GLN 393 Cb 1.65 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 30.15 3iak h GLN 393 CO 0.41 0.85 0.16 -0.44 -2.65 0.00 0.00 178.83 177.16 3iak h ASP 394 N 0.42 0.48 -0.45 -0.69 3.32 -1.85 -2.04 116.42 115.62 3iak h ASP 394 Ca 0.08 -0.15 0.07 0.00 0.02 0.00 0.00 57.03 57.05 3iak h ASP 394 Cb 0.64 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 40.00 3iak h ASP 394 CO 0.04 0.49 0.09 0.40 -1.72 0.00 0.00 179.24 178.55 3iak h ILE 395 N 0.44 0.76 -0.26 0.35 2.04 -1.85 -1.42 117.51 117.58 3iak h ILE 395 Ca 0.12 -0.08 -0.08 0.00 1.00 0.00 0.00 64.86 65.82 3iak h ILE 395 Cb 0.15 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 3iak h ILE 395 CO -0.01 0.04 -0.18 0.25 0.00 0.00 0.00 178.15 178.25 3iak h LEU 396 N 0.23 0.46 -0.07 1.44 5.85 -1.02 -2.06 115.31 120.12 3iak h LEU 396 Ca 0.22 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 3iak h LEU 396 Cb 0.27 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.18 3iak h LEU 396 CO -0.28 0.66 -0.18 0.44 -0.34 0.00 0.00 178.44 178.73 3iak h ASP 397 N 0.42 0.29 -0.81 1.25 3.32 -1.05 -2.73 116.42 117.11 3iak h ASP 397 Ca 0.07 -0.59 0.13 0.00 0.02 0.00 0.00 57.03 56.67 3iak h ASP 397 Cb 0.56 -0.08 -0.09 0.00 0.22 0.00 0.00 39.33 39.94 3iak h ASP 397 CO 0.04 0.82 0.40 0.74 -1.72 0.00 0.00 179.24 179.52 3iak h THR 398 N -0.23 0.74 0.23 0.35 2.02 -1.19 -0.45 112.91 114.38 3iak h THR 398 Ca -0.00 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 3iak h THR 398 Cb 0.78 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 3iak h THR 398 CO 0.04 0.11 -0.17 0.25 0.37 0.00 0.00 175.52 176.12 3iak h LEU 399 N 0.60 -0.44 -1.90 2.58 5.85 -1.35 -0.30 115.31 120.34 3iak h LEU 399 Ca 0.43 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 59.17 3iak h LEU 399 Cb 0.59 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.76 3iak h LEU 399 CO -0.35 -0.27 -0.07 -0.33 -0.34 0.00 0.00 178.44 177.08 3iak h GLU 400 N -0.41 0.00 0.11 1.25 5.08 -1.11 0.16 114.58 119.67 3iak h GLU 400 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3iak h GLU 400 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3iak h GLU 400 CO -0.00 0.07 -0.05 -0.44 -1.00 0.00 0.00 179.01 177.59 3iak h ASP 401 N 0.00 -0.13 -0.48 1.42 3.32 -0.69 -2.83 116.42 117.03 3iak h ASP 401 Ca -0.00 -0.42 -0.02 0.00 0.02 0.00 0.00 57.03 56.61 3iak h ASP 401 Cb 0.37 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 3iak h ASP 401 CO 0.01 0.40 0.25 0.78 -1.72 0.00 0.00 179.24 178.96 3iak h ASN 402 N -0.71 0.65 -0.43 6.45 4.21 -0.52 -0.97 115.58 124.25 3iak h ASN 402 Ca -0.02 -0.06 0.07 0.00 1.21 0.00 0.00 56.30 57.50 3iak h ASN 402 Cb 0.54 -0.17 -0.06 0.00 -1.12 0.00 0.00 38.32 37.51 3iak h ASN 402 CO 0.03 0.56 0.10 -0.09 -1.29 0.00 0.00 177.43 176.73 3iak h ARG 403 N 0.73 0.23 -0.16 0.81 1.12 -0.77 -2.13 114.38 114.20 3iak h ARG 403 Ca 0.18 -0.01 -0.09 0.00 -1.11 0.00 0.00 59.98 58.95 3iak h ARG 403 Cb 0.08 -0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 29.98 3iak h ARG 403 CO -0.02 0.15 -0.30 1.49 -3.11 0.00 0.00 179.97 178.18 3iak h GLU 404 N 0.23 0.30 -0.24 0.20 4.81 -0.98 -2.12 114.58 116.79 3iak h GLU 404 Ca 0.21 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 3iak h GLU 404 Cb 0.25 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 3iak h GLU 404 CO -0.27 0.57 0.01 2.35 -0.73 0.00 0.00 179.01 180.94 3iak h TRP 405 N 0.27 0.46 0.00 0.92 7.01 -0.84 -1.54 115.95 122.22 3iak h TRP 405 Ca 0.04 -0.08 -0.08 0.00 2.11 0.00 0.00 58.89 60.88 3iak h TRP 405 Cb 0.66 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.59 3iak h TRP 405 CO 0.01 0.59 -0.38 1.88 -2.79 0.00 0.00 178.44 177.75 3iak h TYR 406 N 0.20 0.00 -0.25 2.65 0.05 -1.32 -2.43 116.97 115.87 3iak h TYR 406 Ca 0.07 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.74 3iak h TYR 406 Cb 0.40 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.13 3iak h TYR 406 CO 0.03 0.38 -0.31 0.37 -1.05 0.00 0.00 178.16 177.58 3iak h GLN 407 N 0.00 0.53 0.11 4.88 5.75 -1.25 -3.35 115.11 121.78 3iak h GLN 407 Ca -0.00 -0.23 -0.01 0.00 -0.15 0.00 0.00 58.65 58.26 3iak h GLN 407 Cb 0.80 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.33 3iak h GLN 407 CO 0.05 0.78 -0.05 0.66 -2.65 0.00 0.00 178.83 177.62 3iak h SER 408 N 0.45 -0.12 0.00 -0.69 4.64 -0.84 -3.51 113.55 113.48 3iak h SER 408 Ca 0.06 -0.44 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 3iak h SER 408 Cb 0.77 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 3iak h SER 408 CO 0.06 0.50 0.00 0.35 -0.87 0.00 0.00 176.83 176.87