#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xl3 h ARG 79 N 0.00 0.97 -0.59 0.00 2.43 -2.00 -2.17 114.38 113.02 1xl3 h ARG 79 Ca 0.00 -0.06 0.12 0.00 -0.81 0.00 0.00 59.98 59.23 1xl3 h ARG 79 Cb 0.00 -0.22 -0.09 0.00 -0.42 0.00 0.00 29.97 29.24 1xl3 h ARG 79 CO 0.00 0.64 0.07 0.28 -1.51 0.00 0.00 179.97 179.45 1xl3 h VAL 80 N 1.00 0.59 0.00 0.20 2.07 -1.93 -0.92 116.25 117.26 1xl3 h VAL 80 Ca 0.29 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 67.67 1xl3 h VAL 80 Cb -0.06 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 1xl3 h VAL 80 CO -0.08 0.03 -0.35 0.77 0.02 0.00 0.00 177.57 177.96 1xl3 h SER 81 N 0.19 0.00 -0.03 0.57 4.64 -1.95 0.12 113.55 117.09 1xl3 h SER 81 Ca 0.31 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.55 1xl3 h SER 81 Cb 0.48 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.57 1xl3 h SER 81 CO -0.44 0.35 -0.31 0.44 -0.87 0.00 0.00 176.83 176.00 1xl3 h ASP 82 N 0.00 0.32 -0.32 4.97 5.19 -1.00 -1.65 116.42 123.93 1xl3 h ASP 82 Ca -0.00 -0.71 0.06 0.00 -0.62 0.00 0.00 57.03 55.75 1xl3 h ASP 82 Cb 0.79 -0.10 -0.06 0.00 0.18 0.00 0.00 39.33 40.14 1xl3 h ASP 82 CO 0.05 0.99 -0.07 0.58 -3.12 0.00 0.00 179.24 177.66 1xl3 h VAL 83 N -0.32 0.69 -0.78 -1.35 2.07 -0.84 -2.75 116.25 112.96 1xl3 h VAL 83 Ca -0.03 -0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.54 1xl3 h VAL 83 Cb 1.01 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 31.41 1xl3 h VAL 83 CO 0.06 0.00 0.48 -0.08 0.02 0.00 0.00 177.57 178.05 1xl3 h GLU 84 N 0.01 0.86 -0.57 1.57 4.81 -0.83 -1.51 114.58 118.91 1xl3 h GLU 84 Ca 0.15 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.37 1xl3 h GLU 84 Cb 0.23 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 1xl3 h GLU 84 CO -0.32 0.57 0.32 0.93 -0.73 0.00 0.00 179.01 179.78 1xl3 h GLU 85 N 0.89 0.60 0.28 1.92 5.08 -1.00 -1.24 114.58 121.10 1xl3 h GLU 85 Ca 0.33 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 1xl3 h GLU 85 Cb 0.13 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1xl3 h GLU 85 CO -0.16 0.39 -0.13 1.96 -1.00 0.00 0.00 179.01 180.07 1xl3 h GLN 86 N 0.61 -0.36 -0.53 2.33 4.20 -1.33 -2.77 115.11 117.27 1xl3 h GLN 86 Ca 0.25 0.02 0.09 0.00 0.06 0.00 0.00 58.65 59.07 1xl3 h GLN 86 Cb 0.11 0.08 -0.11 0.00 0.30 0.00 0.00 27.48 27.86 1xl3 h GLN 86 CO -0.14 -0.03 -0.35 0.28 -0.67 0.00 0.00 178.83 177.92 1xl3 h VAL 87 N -0.76 0.17 -0.50 -0.54 2.07 -1.11 -2.31 116.25 113.28 1xl3 h VAL 87 Ca -0.04 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 1xl3 h VAL 87 Cb 0.50 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1xl3 h VAL 87 CO 0.06 0.00 0.14 0.78 0.02 0.00 0.00 177.57 178.58 1xl3 h ASN 88 N -0.20 0.68 -0.30 0.57 2.35 -1.30 0.47 115.58 117.84 1xl3 h ASN 88 Ca 0.20 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 1xl3 h ASN 88 Cb 0.55 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 1xl3 h ASN 88 CO -0.64 0.65 0.14 0.06 -1.65 0.00 0.00 177.43 176.00 1xl3 h GLN 89 N 0.72 0.44 -0.16 0.81 3.07 -1.14 -1.76 115.11 117.08 1xl3 h GLN 89 Ca 0.17 -0.06 -0.10 0.00 0.09 0.00 0.00 58.65 58.74 1xl3 h GLN 89 Cb 0.23 -0.08 -0.00 0.00 0.08 0.00 0.00 27.48 27.71 1xl3 h GLN 89 CO -0.01 0.41 -0.28 1.88 0.09 0.00 0.00 178.83 180.92 1xl3 h TYR 90 N 0.35 0.60 0.00 0.06 0.99 -1.02 -3.11 116.97 114.84 1xl3 h TYR 90 Ca 0.10 -0.21 0.00 0.00 2.00 0.00 0.00 58.73 60.63 1xl3 h TYR 90 Cb 0.12 -0.11 0.00 0.00 1.00 0.00 0.00 36.73 37.74 1xl3 h TYR 90 CO -0.02 0.91 0.00 -0.07 -0.00 0.00 0.00 178.16 178.98 1xl3 h LEU 91 N 0.11 0.00 -4.10 3.88 3.38 -0.85 -3.37 115.31 114.37 1xl3 h LEU 91 Ca 0.01 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 1xl3 h LEU 91 Cb 0.87 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 1xl3 h LEU 91 CO 0.06 0.00 -0.15 -1.54 0.09 0.00 0.00 178.44 176.91 1xl3 n SER 92 N -2.58 3.96 -0.20 -0.43 3.41 -0.67 -3.87 113.62 113.24 1xl3 n SER 92 Ca 0.01 -2.21 -0.00 0.00 -0.26 0.00 0.00 58.87 56.40 1xl3 n SER 92 Cb 0.20 -1.04 -0.00 0.00 -0.26 0.00 0.00 64.21 63.11 1xl3 n SER 92 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1xl3 n VAL 94 N 2.47 0.00 0.33 -3.33 0.24 -1.26 -5.08 118.33 111.70 1xl3 n VAL 94 Ca 0.28 -0.03 0.20 0.00 -2.04 0.00 0.00 64.34 62.76 1xl3 n VAL 94 Cb 0.65 0.00 1.09 0.00 -1.47 0.00 0.00 33.84 34.11 1xl3 n VAL 94 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 1xl3 h PRO 95 N 0.46 0.00 0.00 7.34 0.11 -1.97 0.15 132.00 138.09 1xl3 h PRO 95 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1xl3 h PRO 95 Cb 0.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.16 1xl3 h PRO 95 CO 0.05 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 178.77 1xl3 h GLU 96 N 0.00 0.00 -0.14 1.05 3.07 -1.98 -3.14 114.58 113.44 1xl3 h GLU 96 Ca 0.01 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.73 1xl3 h GLU 96 Cb 0.19 0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 27.94 1xl3 h GLU 96 CO -0.00 0.00 -0.68 1.28 -1.40 0.00 0.00 179.01 178.21 1xl3 n LEU 97 N -2.47 2.69 -0.68 1.33 4.77 0.04 -4.65 117.00 118.02 1xl3 n LEU 97 Ca 0.02 -3.65 0.11 0.00 -0.03 0.00 0.00 56.01 52.46 1xl3 n LEU 97 Cb 0.26 -0.35 0.34 0.00 -2.33 0.00 0.00 43.42 41.33 1xl3 n LEU 97 CO 0.22 1.33 0.76 -0.62 -1.33 0.00 0.00 177.39 177.75 1xl3 n GLU 98 N -0.73 1.89 -1.35 3.23 1.02 -1.19 -4.96 120.64 118.56 1xl3 n GLU 98 Ca 0.20 -1.34 -0.03 0.00 -0.02 0.00 0.00 57.16 55.96 1xl3 n GLU 98 Cb 0.82 -1.42 -0.01 0.00 -0.02 0.00 0.00 31.44 30.81 1xl3 n GLU 98 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1xl3 n GLN 99 N 0.57 -0.24 -0.03 3.49 1.13 -1.26 -4.84 117.38 116.20 1xl3 n GLN 99 Ca 0.17 0.50 -0.16 0.00 -1.94 0.00 0.00 57.00 55.57 1xl3 n GLN 99 Cb 0.39 -4.15 -0.09 0.00 0.11 0.00 0.00 30.24 26.50 1xl3 n GLN 99 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1xl3 h LYS 100 N 0.00 0.45 -0.64 -1.09 1.57 -1.93 -0.23 116.57 114.71 1xl3 h LYS 100 Ca -0.07 -0.37 -0.08 0.00 -1.87 0.00 0.00 60.65 58.26 1xl3 h LYS 100 Cb 0.43 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1xl3 h LYS 100 CO 0.10 1.00 0.08 0.37 -0.57 0.00 0.00 179.45 180.43 1xl3 h GLN 101 N 0.02 1.07 -0.79 3.15 4.15 -1.97 -1.27 115.11 119.47 1xl3 h GLN 101 Ca -0.03 -0.30 0.01 0.00 0.77 0.00 0.00 58.65 59.10 1xl3 h GLN 101 Cb 1.08 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 28.61 1xl3 h GLN 101 CO 0.09 1.00 0.52 -0.91 -1.93 0.00 0.00 178.83 177.60 1xl3 h ASN 102 N 0.98 0.91 0.29 -0.69 2.35 -1.89 -0.93 115.58 116.60 1xl3 h ASN 102 Ca 0.19 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 1xl3 h ASN 102 Cb 0.46 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.61 1xl3 h ASN 102 CO 0.02 0.66 -0.14 0.58 -1.65 0.00 0.00 177.43 176.90 1xl3 h VAL 103 N 1.07 0.70 -0.95 2.81 2.07 -0.95 -1.67 116.25 119.33 1xl3 h VAL 103 Ca 0.29 -0.68 0.17 0.00 0.82 0.00 0.00 66.70 67.29 1xl3 h VAL 103 Cb -0.12 1.04 -0.10 0.00 -1.52 0.00 0.00 31.29 30.59 1xl3 h VAL 103 CO -0.06 0.13 0.54 0.77 0.02 0.00 0.00 177.57 178.97 1xl3 h SER 104 N -0.78 0.69 0.19 0.57 4.64 -1.14 -0.07 113.55 117.65 1xl3 h SER 104 Ca -0.04 0.10 -0.13 0.00 -0.47 0.00 0.00 61.79 61.24 1xl3 h SER 104 Cb 0.51 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 1xl3 h SER 104 CO 0.06 0.26 -0.50 -0.33 -0.87 0.00 0.00 176.83 175.45 1xl3 h GLU 105 N 0.71 0.35 -0.06 4.77 5.08 -1.17 -2.54 114.58 121.73 1xl3 h GLU 105 Ca 0.53 -0.20 -0.21 0.00 -1.00 0.00 0.00 59.36 58.48 1xl3 h GLU 105 Cb 0.80 0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.08 1xl3 h GLU 105 CO -0.38 0.78 -0.78 1.25 -1.00 0.00 0.00 179.01 178.88 1xl3 h LEU 106 N 0.28 0.79 -0.59 1.33 5.85 -0.64 -2.61 115.31 119.72 1xl3 h LEU 106 Ca 0.01 -0.70 0.09 0.00 0.84 0.00 0.00 57.88 58.13 1xl3 h LEU 106 Cb 0.98 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.70 1xl3 h LEU 106 CO 0.08 1.37 0.20 0.25 -0.34 0.00 0.00 178.44 180.00 1xl3 h LEU 107 N 0.27 0.17 -1.42 2.25 5.85 -1.01 0.17 115.31 121.60 1xl3 h LEU 107 Ca -0.08 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 1xl3 h LEU 107 Cb 1.44 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.53 1xl3 h LEU 107 CO 0.16 0.11 -0.13 0.28 -0.34 0.00 0.00 178.44 178.51 1xl3 h SER 108 N 0.37 0.21 -0.10 1.25 0.02 -1.46 -0.26 113.55 113.58 1xl3 h SER 108 Ca 0.30 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.19 1xl3 h SER 108 Cb 0.38 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.87 1xl3 h SER 108 CO -0.32 0.37 -0.02 0.25 -1.14 0.00 0.00 176.83 175.97 1xl3 h LEU 109 N 0.21 0.19 -1.36 5.07 5.85 -0.86 -2.85 115.31 121.56 1xl3 h LEU 109 Ca 0.04 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.39 1xl3 h LEU 109 Cb 0.36 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1xl3 h LEU 109 CO 0.02 0.49 0.17 -0.07 -0.34 0.00 0.00 178.44 178.71 1xl3 h LEU 110 N -0.12 0.55 -0.35 2.25 3.38 -0.56 0.34 115.31 120.79 1xl3 h LEU 110 Ca 0.03 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 1xl3 h LEU 110 Cb 0.40 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1xl3 h LEU 110 CO 0.01 0.50 -0.37 -1.28 0.09 0.00 0.00 178.44 177.39 1xl3 h SER 111 N 0.60 0.93 -0.36 -0.43 0.87 -1.04 0.35 113.55 114.48 1xl3 h SER 111 Ca 0.15 -0.47 -0.11 0.00 -1.23 0.00 0.00 61.79 60.13 1xl3 h SER 111 Cb 0.12 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 1xl3 h SER 111 CO -0.01 1.21 -0.17 0.78 -0.53 0.00 0.00 176.83 178.11 1xl3 h ASN 112 N 0.67 0.84 -2.37 6.23 2.35 -1.24 -3.39 115.58 118.67 1xl3 h ASN 112 Ca 0.05 -0.28 -0.59 0.00 -0.55 0.00 0.00 56.30 54.93 1xl3 h ASN 112 Cb 0.96 -0.23 -0.40 0.00 0.05 0.00 0.00 38.32 38.70 1xl3 h ASN 112 CO 0.09 1.00 -0.84 -1.54 -1.65 0.00 0.00 177.43 174.49 1xl3 n SER 113 N -4.13 1.47 0.03 5.81 3.41 0.12 -4.97 113.62 115.36 1xl3 n SER 113 Ca 0.01 -2.90 0.14 0.00 -0.26 0.00 0.00 58.87 55.85 1xl3 n SER 113 Cb 0.41 -0.65 0.55 0.00 -0.26 0.00 0.00 64.21 64.26 1xl3 n SER 113 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1xl3 n PRO 114 N 1.75 0.08 -2.97 4.33 -0.04 0.07 -4.49 135.00 133.73 1xl3 n PRO 114 Ca 0.25 0.06 -0.44 0.00 -0.04 0.00 0.00 63.50 63.33 1xl3 n PRO 114 Cb 0.45 -1.59 -0.01 0.00 -0.04 0.00 0.00 33.50 32.32 1xl3 n PRO 114 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1xl3 s ASN 115 N -3.43 6.93 0.26 3.54 3.84 -1.26 -4.94 114.94 119.87 1xl3 s ASN 115 Ca 0.13 -2.70 0.07 0.00 0.21 0.00 0.00 52.86 50.57 1xl3 s ASN 115 Cb 0.17 -2.38 -0.05 0.00 -0.55 0.00 0.00 41.25 38.43 1xl3 s ASN 115 CO 0.55 -0.82 -0.10 0.27 -2.79 0.00 0.00 177.10 174.22 1xl3 s ILE 116 N 1.75 1.75 0.27 -5.21 -4.36 -1.26 -5.16 121.20 108.98 1xl3 s ILE 116 Ca 0.38 -2.17 0.04 0.00 -0.26 0.00 0.00 60.65 58.64 1xl3 s ILE 116 Cb -0.04 -2.32 -0.03 0.00 1.25 0.00 0.00 42.46 41.32 1xl3 s ILE 116 CO -0.04 -0.39 0.40 -0.94 0.24 0.00 0.00 174.94 174.21 1xl3 s SER 117 N -3.41 6.30 0.29 4.36 1.04 -1.26 -5.02 113.70 115.99 1xl3 s SER 117 Ca 0.27 0.13 -0.03 0.00 0.48 0.00 0.00 55.95 56.81 1xl3 s SER 117 Cb 0.02 -1.86 0.40 0.00 0.10 0.00 0.00 66.02 64.68 1xl3 s SER 117 CO 0.11 -0.13 1.95 0.25 0.98 0.00 0.00 173.24 176.39 1xl3 h LEU 118 N 1.07 0.97 -0.47 2.42 5.85 -1.99 -2.01 115.31 121.15 1xl3 h LEU 118 Ca -0.51 -0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.23 1xl3 h LEU 118 Cb 1.23 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.96 1xl3 h LEU 118 CO 0.61 0.73 0.16 0.28 -0.34 0.00 0.00 178.44 179.87 1xl3 h SER 119 N 1.14 0.15 -0.20 1.25 0.02 -2.00 -2.79 113.55 111.12 1xl3 h SER 119 Ca 0.30 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.31 1xl3 h SER 119 Cb -0.09 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1xl3 h SER 119 CO -0.06 0.12 0.12 1.56 -1.14 0.00 0.00 176.83 177.43 1xl3 h GLN 120 N 0.33 0.27 0.00 3.45 4.20 -1.84 -1.66 115.11 119.85 1xl3 h GLN 120 Ca 0.23 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1xl3 h GLN 120 Cb 0.24 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1xl3 h GLN 120 CO -0.24 0.21 0.00 -0.11 -0.67 0.00 0.00 178.83 178.02 1xl3 n LEU 121 N -4.93 0.00 0.00 1.46 7.94 -0.80 -0.75 117.00 119.92 1xl3 n LEU 121 Ca -0.03 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.87 1xl3 n LEU 121 Cb 0.04 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.99 1xl3 n LEU 121 CO 0.34 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.62 1xl3 n ALA 123 N 0.32 0.00 -0.14 1.96 0.00 -0.63 -1.90 120.51 120.13 1xl3 n ALA 123 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1xl3 n ALA 123 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1xl3 n ALA 123 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1xl3 h TYR 124 N 0.00 0.57 -0.47 0.00 3.20 -1.21 -0.73 116.97 118.32 1xl3 h TYR 124 Ca 0.00 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 1xl3 h TYR 124 Cb 0.00 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 1xl3 h TYR 124 CO 0.00 0.41 0.03 -0.07 -1.64 0.00 0.00 178.16 176.89 1xl3 h LEU 125 N 0.55 0.73 -0.08 2.82 3.38 -1.64 -2.99 115.31 118.09 1xl3 h LEU 125 Ca 0.15 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1xl3 h LEU 125 Cb 0.02 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 1xl3 h LEU 125 CO -0.03 0.78 0.02 -0.33 0.09 0.00 0.00 178.44 178.98 1xl3 h GLU 126 N 0.72 0.12 -0.27 1.13 5.08 -1.76 -1.77 114.58 117.83 1xl3 h GLU 126 Ca 0.15 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1xl3 h GLU 126 Cb 0.40 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1xl3 h GLU 126 CO 0.01 0.30 0.00 0.41 -1.00 0.00 0.00 179.01 178.73 1xl3 n GLY 127 N -0.53 0.00 3.76 -3.84 0.00 -0.31 -3.73 105.19 100.54 1xl3 n GLY 127 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 1xl3 n GLY 127 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xl3 s SER 129 N -0.27 6.56 0.00 1.61 0.15 -0.67 -5.10 113.70 115.98 1xl3 s SER 129 Ca 0.00 2.79 0.27 0.00 0.70 0.00 0.00 55.95 59.72 1xl3 s SER 129 Cb 0.00 -2.64 0.96 0.00 -1.71 0.00 0.00 66.02 62.63 1xl3 s SER 129 CO 0.00 -0.75 1.72 -0.62 1.20 0.00 0.00 173.24 174.80 1xl3 n GLU 130 N 1.75 0.11 -2.76 5.44 -0.58 -1.24 -4.81 120.64 118.54 1xl3 n GLU 130 Ca 0.05 -0.04 -0.43 0.00 -0.42 0.00 0.00 57.16 56.33 1xl3 n GLU 130 Cb 0.40 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.73 1xl3 n GLU 130 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1xl3 s GLU 131 N -2.92 3.89 0.39 3.49 2.56 -1.26 -4.96 118.70 119.90 1xl3 s GLU 131 Ca 0.15 0.69 0.18 0.00 0.00 0.00 0.00 54.97 56.00 1xl3 s GLU 131 Cb 0.19 -3.79 1.11 0.00 2.00 0.00 0.00 34.13 33.63 1xl3 s GLU 131 CO 0.59 -0.95 1.76 -1.35 -0.56 0.00 0.00 175.26 174.75 1xl3 h PRO 132 N 8.41 0.38 0.00 4.30 0.11 -1.90 -1.42 132.00 141.87 1xl3 h PRO 132 Ca -0.23 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.77 1xl3 h PRO 132 Cb 1.07 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 1xl3 h PRO 132 CO 1.00 0.25 -0.42 0.66 -0.21 0.00 0.00 178.00 179.27 1xl3 h SER 133 N 0.39 0.00 0.22 -2.05 4.64 -1.84 -0.63 113.55 114.28 1xl3 h SER 133 Ca 0.62 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.62 1xl3 h SER 133 Cb 1.56 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.68 1xl3 h SER 133 CO -0.32 0.42 -1.46 -0.33 -0.87 0.00 0.00 176.83 174.27 1xl3 h GLU 134 N 0.00 0.47 -0.28 4.77 5.08 -1.66 -3.26 114.58 119.69 1xl3 h GLU 134 Ca -0.00 -0.80 0.00 0.00 -1.00 0.00 0.00 59.36 57.56 1xl3 h GLU 134 Cb 0.98 0.30 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1xl3 h GLU 134 CO 0.05 1.38 0.18 1.96 -1.00 0.00 0.00 179.01 181.59 1xl3 h GLN 135 N 0.05 0.38 -0.21 2.33 4.20 -1.30 -1.44 115.11 119.12 1xl3 h GLN 135 Ca -0.27 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.42 1xl3 h GLN 135 Cb 2.07 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.77 1xl3 h GLN 135 CO 0.23 0.27 0.00 0.34 -0.67 0.00 0.00 178.83 179.00 1xl3 n PHE 136 N -4.87 0.00 0.00 2.96 7.35 -0.25 -2.03 117.46 120.62 1xl3 n PHE 136 Ca -0.02 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.67 1xl3 n PHE 136 Cb 0.04 -0.01 0.00 0.00 0.35 0.00 0.00 39.48 39.86 1xl3 n PHE 136 CO 0.00 0.00 0.00 -1.33 -0.76 0.00 0.00 176.76 174.67 1xl3 n MET 138 N 0.52 0.00 -0.05 -4.13 2.81 -0.54 -1.14 117.12 114.58 1xl3 n MET 138 Ca 0.00 0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 55.75 1xl3 n MET 138 Cb 0.00 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 32.43 1xl3 n MET 138 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1xl3 h LEU 139 N 0.00 0.50 -0.21 4.03 3.38 -1.67 -1.27 115.31 120.06 1xl3 h LEU 139 Ca 0.00 -0.57 0.05 0.00 0.09 0.00 0.00 57.88 57.45 1xl3 h LEU 139 Cb 0.00 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 1xl3 h LEU 139 CO 0.00 0.98 -0.09 0.00 0.09 0.00 0.00 178.44 179.42 1xl3 h GLY 141 N -0.05 0.96 0.78 0.00 0.00 -1.84 -2.18 103.07 100.74 1xl3 h GLY 141 Ca 0.11 -0.35 -0.08 0.00 0.00 0.00 0.00 47.33 47.01 1xl3 h GLY 141 CO -0.25 0.33 -0.23 -2.00 0.00 0.00 0.00 176.54 174.39 1xl3 h LEU 142 N 0.89 0.46 -0.53 3.11 5.85 -0.91 -0.82 115.31 123.37 1xl3 h LEU 142 Ca 0.26 -0.52 0.08 0.00 0.84 0.00 0.00 57.88 58.54 1xl3 h LEU 142 Cb -0.04 -0.13 -0.10 0.00 0.37 0.00 0.00 40.66 40.76 1xl3 h LEU 142 CO -0.06 0.89 -0.44 -0.09 -0.34 0.00 0.00 178.44 178.40 1xl3 h ARG 143 N 0.04 -0.25 -0.44 1.25 2.43 -0.06 0.22 114.38 117.57 1xl3 h ARG 143 Ca 0.01 0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.10 1xl3 h ARG 143 Cb 0.80 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 1xl3 h ARG 143 CO 0.05 -0.17 -0.14 -0.44 -1.51 0.00 0.00 179.97 177.76 1xl3 h ASP 144 N -0.26 0.81 -0.36 -3.80 3.32 -1.31 -2.80 116.42 112.02 1xl3 h ASP 144 Ca 0.16 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 1xl3 h ASP 144 Cb 0.57 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1xl3 h ASP 144 CO -0.65 0.96 0.15 0.00 -1.72 0.00 0.00 179.24 177.98 1xl3 h ALA 145 N 1.11 1.49 0.00 3.45 0.00 -0.71 -3.35 119.26 121.24 1xl3 h ALA 145 Ca 0.12 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xl3 h ALA 145 Cb 0.64 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1xl3 h ALA 145 CO 0.04 0.39 0.06 1.28 0.00 0.00 0.00 179.25 181.02 1xl3 n LEU 146 N -4.36 0.77 0.00 0.00 4.77 0.03 -3.69 117.00 114.51 1xl3 n LEU 146 Ca 0.03 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 1xl3 n LEU 146 Cb 0.16 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1xl3 n LEU 146 CO 0.37 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1xl3 n GLY 148 N 2.08 0.00 2.43 -0.72 0.00 -1.26 -3.94 105.19 103.79 1xl3 n GLY 148 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 1xl3 n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xl3 n ARG 149 N 0.00 2.28 0.00 1.61 5.12 -1.24 -4.95 116.66 119.48 1xl3 n ARG 149 Ca 0.00 -4.44 0.00 0.00 -1.93 0.00 0.00 57.85 51.48 1xl3 n ARG 149 Cb 0.00 -2.08 0.00 0.00 -1.16 0.00 0.00 32.46 29.22 1xl3 n ARG 149 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1xl3 n PRO 150 N 0.81 0.00 0.02 5.56 -0.04 -1.25 -1.49 135.00 138.62 1xl3 n PRO 150 Ca 0.29 0.13 -0.09 0.00 -0.04 0.00 0.00 63.50 63.79 1xl3 n PRO 150 Cb 0.43 -1.51 0.07 0.00 -0.04 0.00 0.00 33.50 32.45 1xl3 n PRO 150 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1xl3 h GLU 151 N 0.00 0.49 -0.82 0.54 9.09 -1.92 -3.30 114.58 118.66 1xl3 h GLU 151 Ca 0.00 -0.32 -0.00 0.00 0.05 0.00 0.00 59.36 59.09 1xl3 h GLU 151 Cb 0.02 0.04 -0.00 0.00 -1.65 0.00 0.00 28.75 27.16 1xl3 h GLU 151 CO 0.00 0.92 0.00 1.28 0.05 0.00 0.00 179.01 181.27 1xl3 n LEU 152 N -3.94 3.14 0.28 3.06 4.77 -0.55 -4.60 117.00 119.16 1xl3 n LEU 152 Ca -0.03 -1.59 0.16 0.00 -0.03 0.00 0.00 56.01 54.52 1xl3 n LEU 152 Cb 0.61 -0.59 0.77 0.00 -2.33 0.00 0.00 43.42 41.89 1xl3 n LEU 152 CO 0.47 0.42 1.00 0.00 -1.33 0.00 0.00 177.39 177.95 1xl3 h ALA 153 N 2.89 1.08 0.00 -1.18 0.00 -1.69 -0.68 119.26 119.68 1xl3 h ALA 153 Ca 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1xl3 h ALA 153 Cb 1.17 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1xl3 h ALA 153 CO 0.23 0.08 -0.02 1.12 0.00 0.00 0.00 179.25 180.65 1xl3 h HIS 154 N 0.00 0.00 0.00 0.00 2.07 -1.90 -2.75 115.15 112.56 1xl3 h HIS 154 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1xl3 h HIS 154 Cb 0.40 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.38 1xl3 h HIS 154 CO 0.00 0.02 -0.43 -0.07 -3.07 0.00 0.00 177.93 174.39 1xl3 h LEU 155 N 0.00 0.00 -1.26 6.12 3.38 -1.48 -3.28 115.31 118.79 1xl3 h LEU 155 Ca -0.00 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1xl3 h LEU 155 Cb 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1xl3 h LEU 155 CO 0.00 0.03 0.03 0.28 0.09 0.00 0.00 178.44 178.88 1xl3 h SER 156 N 0.00 0.50 -0.81 -0.43 0.02 -1.59 -1.79 113.55 109.45 1xl3 h SER 156 Ca 0.00 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.84 1xl3 h SER 156 Cb 0.88 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 63.25 1xl3 h SER 156 CO 0.00 0.55 0.43 0.45 -1.14 0.00 0.00 176.83 177.11 1xl3 h HIS 157 N 0.52 1.13 -0.23 3.45 3.86 -1.71 -0.86 115.15 121.32 1xl3 h HIS 157 Ca 0.12 -0.04 -0.05 0.00 -1.16 0.00 0.00 60.37 59.24 1xl3 h HIS 157 Cb 0.29 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 28.39 1xl3 h HIS 157 CO 0.01 0.80 -0.05 -0.07 0.86 0.00 0.00 177.93 179.48 1xl3 h LEU 158 N 1.13 0.44 -0.54 2.43 3.38 -1.64 -1.28 115.31 119.23 1xl3 h LEU 158 Ca 0.28 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.90 1xl3 h LEU 158 Cb 0.06 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1xl3 h LEU 158 CO -0.04 0.70 0.34 0.58 0.09 0.00 0.00 178.44 180.12 1xl3 h VAL 159 N 0.18 1.10 -0.22 1.22 2.07 -1.27 -1.80 116.25 117.52 1xl3 h VAL 159 Ca 0.06 -0.24 -0.13 0.00 0.82 0.00 0.00 66.70 67.21 1xl3 h VAL 159 Cb 0.51 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1xl3 h VAL 159 CO 0.02 0.13 -0.41 -0.08 0.02 0.00 0.00 177.57 177.24 1xl3 h GLU 160 N 0.69 0.51 -0.29 1.57 4.57 -1.05 -0.36 114.58 120.23 1xl3 h GLU 160 Ca 0.21 -0.26 -0.05 0.00 -1.18 0.00 0.00 59.36 58.08 1xl3 h GLU 160 Cb -0.03 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 1xl3 h GLU 160 CO -0.07 0.84 -0.04 1.96 -1.18 0.00 0.00 179.01 180.52 1xl3 h GLN 161 N 0.42 0.45 -0.02 1.92 4.20 -0.94 -1.95 115.11 119.19 1xl3 h GLN 161 Ca 0.04 -0.10 -0.22 0.00 0.06 0.00 0.00 58.65 58.43 1xl3 h GLN 161 Cb 0.90 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.62 1xl3 h GLN 161 CO 0.08 0.51 -0.90 0.00 -0.67 0.00 0.00 178.83 177.85 1xl3 h ALA 162 N 1.54 0.41 -0.19 3.87 0.00 -0.58 -2.59 119.26 121.71 1xl3 h ALA 162 Ca 0.09 -0.69 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 1xl3 h ALA 162 Cb 0.35 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1xl3 h ALA 162 CO 0.01 0.81 0.10 -0.07 0.00 0.00 0.00 179.25 180.10 1xl3 h LEU 163 N 0.24 0.25 -0.31 0.00 3.38 -0.79 -1.63 115.31 116.44 1xl3 h LEU 163 Ca -0.07 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.80 1xl3 h LEU 163 Cb 1.52 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.19 1xl3 h LEU 163 CO 0.15 0.29 0.18 0.58 0.09 0.00 0.00 178.44 179.73 1xl3 h VAL 164 N 0.19 1.03 -0.62 1.22 2.07 -1.37 -0.67 116.25 118.09 1xl3 h VAL 164 Ca 0.07 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 1xl3 h VAL 164 Cb 0.10 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1xl3 h VAL 164 CO -0.01 0.07 0.12 -1.28 0.02 0.00 0.00 177.57 176.49 1xl3 h SER 165 N 0.37 0.97 0.35 0.57 0.87 -1.38 -1.27 113.55 114.03 1xl3 h SER 165 Ca 0.12 -0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.43 1xl3 h SER 165 Cb 0.00 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.69 1xl3 h SER 165 CO -0.06 0.97 -0.26 0.24 -0.53 0.00 0.00 176.83 177.19 1xl3 h MET 166 N 0.93 -0.58 -0.95 2.24 2.07 -0.84 0.55 114.93 118.35 1xl3 h MET 166 Ca 0.19 0.04 0.10 0.00 -2.07 0.00 0.00 59.70 57.97 1xl3 h MET 166 Cb 0.40 0.13 -0.08 0.00 -1.87 0.00 0.00 31.60 30.18 1xl3 h MET 166 CO 0.01 -0.39 0.58 0.00 1.07 0.00 0.00 176.91 178.18 1xl3 h ALA 167 N -0.01 1.39 -0.06 6.32 0.00 -1.02 0.20 119.26 126.08 1xl3 h ALA 167 Ca -0.03 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1xl3 h ALA 167 Cb 0.52 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1xl3 h ALA 167 CO 0.00 0.21 -0.05 0.93 0.00 0.00 0.00 179.25 180.35 1xl3 h GLU 168 N 0.95 0.14 0.00 0.00 5.08 -1.02 -2.80 114.58 116.94 1xl3 h GLU 168 Ca 0.46 -0.07 -0.18 0.00 -1.00 0.00 0.00 59.36 58.57 1xl3 h GLU 168 Cb 0.41 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 1xl3 h GLU 168 CO -0.25 0.56 -1.17 0.93 -1.00 0.00 0.00 179.01 178.08 1xl3 h GLU 169 N -0.28 0.00 0.00 2.33 4.39 -0.81 -3.41 114.58 116.80 1xl3 h GLU 169 Ca 0.01 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 1xl3 h GLU 169 Cb 0.53 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.11 1xl3 h GLU 169 CO 0.01 0.47 -0.49 1.04 -1.16 0.00 0.00 179.01 178.88 1xl3 n GLN 170 N -3.06 0.36 -0.27 2.33 6.02 0.70 -4.92 117.38 118.56 1xl3 n GLN 170 Ca -0.06 -1.64 -0.09 0.00 -0.01 0.00 0.00 57.00 55.20 1xl3 n GLN 170 Cb 0.86 -0.69 -0.05 0.00 1.02 0.00 0.00 30.24 31.38 1xl3 n GLN 170 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1xl3 h GLY 171 N 0.23 -0.55 0.95 1.08 0.00 -1.33 -0.71 103.07 102.74 1xl3 h GLY 171 Ca -0.04 0.63 -0.03 0.00 0.00 0.00 0.00 47.33 47.89 1xl3 h GLY 171 CO 0.02 -0.12 0.15 -2.09 0.00 0.00 0.00 176.54 174.50 1xl3 h GLU 172 N -0.17 0.68 -0.09 4.80 4.81 -1.91 -1.65 114.58 121.05 1xl3 h GLU 172 Ca 0.18 -0.14 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1xl3 h GLU 172 Cb 0.54 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 1xl3 h GLU 172 CO -0.77 0.65 0.06 1.15 -0.73 0.00 0.00 179.01 179.38 1xl3 h THR 173 N 0.58 0.97 0.02 0.32 2.02 -1.83 -1.66 112.91 113.33 1xl3 h THR 173 Ca 0.14 -0.01 -0.03 0.00 0.77 0.00 0.00 66.41 67.29 1xl3 h THR 173 Cb 0.24 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1xl3 h THR 173 CO -0.01 0.01 -0.11 0.40 0.37 0.00 0.00 175.52 176.17 1xl3 h ILE 174 N 0.03 1.75 -0.31 3.11 2.04 -0.54 -2.71 117.51 120.88 1xl3 h ILE 174 Ca 0.04 -2.36 -0.03 0.00 1.00 0.00 0.00 64.86 63.52 1xl3 h ILE 174 Cb 0.13 3.35 -0.01 0.00 -0.74 0.00 0.00 36.82 39.55 1xl3 h ILE 174 CO -0.00 0.62 0.09 0.58 0.00 0.00 0.00 178.15 179.44 1xl3 h VAL 175 N -0.90 1.21 -0.56 1.67 2.07 -1.24 -1.98 116.25 116.52 1xl3 h VAL 175 Ca -0.02 -0.68 0.10 0.00 0.82 0.00 0.00 66.70 66.92 1xl3 h VAL 175 Cb 1.08 1.06 -0.08 0.00 -1.52 0.00 0.00 31.29 31.83 1xl3 h VAL 175 CO 0.02 0.23 0.12 -0.07 0.02 0.00 0.00 177.57 177.89 1xl3 h LEU 176 N 0.35 0.00 -0.77 2.57 3.38 -1.44 0.12 115.31 119.53 1xl3 h LEU 176 Ca 0.10 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1xl3 h LEU 176 Cb 0.26 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 1xl3 h LEU 176 CO -0.00 0.02 0.50 1.23 0.09 0.00 0.00 178.44 180.27 1xl3 h GLY 177 N 0.25 1.10 0.99 0.83 0.00 -1.31 -1.43 103.07 103.50 1xl3 h GLY 177 Ca 0.29 -0.43 -0.09 0.00 0.00 0.00 0.00 47.33 47.10 1xl3 h GLY 177 CO -0.37 0.42 -0.07 0.00 0.00 0.00 0.00 176.54 176.52 1xl3 h ALA 178 N 1.27 0.59 -0.71 3.60 0.00 -0.94 -2.41 119.26 120.65 1xl3 h ALA 178 Ca 0.28 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1xl3 h ALA 178 Cb -0.09 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1xl3 h ALA 178 CO -0.06 0.45 0.32 -0.09 0.00 0.00 0.00 179.25 179.87 1xl3 h ARG 179 N 0.64 1.03 0.00 0.00 1.12 -0.20 -2.09 114.38 114.89 1xl3 h ARG 179 Ca 0.11 -0.16 0.00 0.00 -1.11 0.00 0.00 59.98 58.82 1xl3 h ARG 179 Cb 0.59 -0.18 0.00 0.00 -0.01 0.00 0.00 29.97 30.38 1xl3 h ARG 179 CO 0.04 0.83 -0.24 1.51 -3.11 0.00 0.00 179.97 178.99 1xl3 n ILE 180 N -4.41 0.13 -0.27 1.20 0.13 -0.59 -4.29 119.36 111.26 1xl3 n ILE 180 Ca 0.06 -0.08 -0.03 0.00 -1.10 0.00 0.00 62.75 61.60 1xl3 n ILE 180 Cb 0.15 -0.23 0.09 0.00 -0.84 0.00 0.00 39.64 38.80 1xl3 n ILE 180 CO 0.00 0.00 0.00 0.74 2.80 0.00 0.00 176.55 180.09 1xl3 h THR 181 N 0.00 1.12 0.06 9.51 2.02 -0.85 -0.29 112.91 124.48 1xl3 h THR 181 Ca 0.00 -0.32 0.01 0.00 0.77 0.00 0.00 66.41 66.86 1xl3 h THR 181 Cb 0.57 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1xl3 h THR 181 CO 0.00 0.17 -0.09 -0.65 0.37 0.00 0.00 175.52 175.32 1xl3 h PRO 182 N 0.94 -0.18 -0.72 6.66 0.11 -1.75 0.02 132.00 137.10 1xl3 h PRO 182 Ca 0.30 0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.39 1xl3 h PRO 182 Cb 0.00 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.12 1xl3 h PRO 182 CO -0.11 -0.12 0.33 0.93 -0.21 0.00 0.00 178.00 178.82 1xl3 h GLU 183 N -0.18 1.04 -0.29 1.05 3.07 -1.79 -2.48 114.58 115.00 1xl3 h GLU 183 Ca 0.01 -0.16 -0.13 0.00 -0.50 0.00 0.00 59.36 58.58 1xl3 h GLU 183 Cb 0.19 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 27.91 1xl3 h GLU 183 CO -0.05 0.83 -0.36 0.00 -1.40 0.00 0.00 179.01 178.04 1xl3 h ALA 184 N 1.16 0.81 -0.19 3.43 0.00 -0.90 -0.55 119.26 123.02 1xl3 h ALA 184 Ca 0.24 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1xl3 h ALA 184 Cb 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1xl3 h ALA 184 CO -0.03 0.65 0.07 -0.92 0.00 0.00 0.00 179.25 179.02 1xl3 h TYR 185 N 0.56 0.29 -0.60 0.00 3.20 -0.90 -0.84 116.97 118.68 1xl3 h TYR 185 Ca 0.05 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1xl3 h TYR 185 Cb 0.88 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 39.03 1xl3 h TYR 185 CO 0.04 0.35 0.39 0.00 -1.64 0.00 0.00 178.16 177.31 1xl3 h ARG 186 N 0.15 0.80 -0.75 1.82 2.47 -1.29 -2.46 114.38 115.11 1xl3 h ARG 186 Ca 0.06 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.72 1xl3 h ARG 186 Cb 0.19 -0.18 -0.04 0.00 -1.65 0.00 0.00 29.97 28.30 1xl3 h ARG 186 CO -0.00 0.54 0.41 1.49 0.56 0.00 0.00 179.97 182.97 1xl3 h GLU 187 N 0.82 1.04 0.00 0.04 4.57 -0.96 -2.50 114.58 117.59 1xl3 h GLU 187 Ca 0.22 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 1xl3 h GLU 187 Cb -0.08 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.30 1xl3 h GLU 187 CO -0.05 0.76 0.00 0.66 -1.18 0.00 0.00 179.01 179.21 1xl3 h SER 188 N 1.05 0.00 0.74 1.04 4.64 -0.78 -2.84 113.55 117.40 1xl3 h SER 188 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1xl3 h SER 188 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1xl3 h SER 188 CO -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.92 1xl3 n GLN 189 N -3.02 0.03 0.00 4.77 6.02 -0.94 -1.85 117.38 122.39 1xl3 n GLN 189 Ca 0.02 0.18 0.09 0.00 -0.01 0.00 0.00 57.00 57.27 1xl3 n GLN 189 Cb 0.35 -1.54 0.41 0.00 1.02 0.00 0.00 30.24 30.47 1xl3 n GLN 189 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1xl3 n SER 190 N -1.60 0.00 0.00 1.08 7.64 -1.07 -4.93 113.62 114.74 1xl3 n SER 190 Ca 0.05 0.49 0.00 0.00 1.01 0.00 0.00 58.87 60.41 1xl3 n SER 190 Cb 0.25 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 1xl3 n SER 190 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xl3 n GLY 191 N 0.45 0.50 0.00 0.23 0.00 -0.77 -4.90 105.19 100.70 1xl3 n GLY 191 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1xl3 n GLY 191 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1xl3 n VAL 192 N -2.00 0.00 -3.77 1.61 0.24 -1.26 -4.97 118.33 108.18 1xl3 n VAL 192 Ca 0.00 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 61.93 1xl3 n VAL 192 Cb 0.00 -0.90 -0.13 0.00 -1.47 0.00 0.00 33.84 31.34 1xl3 n VAL 192 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1xl3 s ASN 193 N -2.98 5.22 0.68 -1.34 0.01 -1.26 -4.55 114.94 110.72 1xl3 s ASN 193 Ca 0.00 -1.04 -0.14 0.00 -0.71 0.00 0.00 52.86 50.97 1xl3 s ASN 193 Cb 0.00 -1.86 0.01 0.00 0.41 0.00 0.00 41.25 39.81 1xl3 s ASN 193 CO 0.00 -0.29 1.09 -2.84 -1.51 0.00 0.00 177.10 173.56 1xl3 s PRO 194 N 1.42 2.73 0.10 -0.60 0.02 -1.26 -3.80 135.00 133.60 1xl3 s PRO 194 Ca -0.01 1.27 -0.24 0.00 0.02 0.00 0.00 61.00 62.04 1xl3 s PRO 194 Cb -0.19 -1.95 -0.12 0.00 0.02 0.00 0.00 34.50 32.26 1xl3 s PRO 194 CO 0.02 -1.29 1.71 1.25 -0.33 0.00 0.00 177.00 178.36 1xl3 h LEU 195 N -0.29 -0.21 -0.00 -5.54 5.85 -1.92 -2.83 115.31 110.38 1xl3 h LEU 195 Ca -0.46 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.29 1xl3 h LEU 195 Cb 1.24 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.34 1xl3 h LEU 195 CO 0.54 -0.12 -0.00 -0.61 -0.34 0.00 0.00 178.44 177.91 1xl3 h GLN 196 N -0.16 0.00 -0.27 1.25 5.75 -1.94 -0.53 115.11 119.21 1xl3 h GLN 196 Ca 0.01 -0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.59 1xl3 h GLN 196 Cb 0.17 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 1xl3 h GLN 196 CO -0.03 0.34 0.20 -1.00 -2.65 0.00 0.00 178.83 175.68 1xl3 h PRO 197 N -0.33 0.00 -0.02 -2.39 0.13 -1.94 0.91 132.00 128.35 1xl3 h PRO 197 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1xl3 h PRO 197 Cb 0.34 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.46 1xl3 h PRO 197 CO 0.00 0.00 0.01 -0.07 -0.23 0.00 0.00 178.00 177.71 1xl3 h LEU 198 N 0.00 0.03 -0.09 1.56 3.38 -1.12 -0.08 115.31 118.99 1xl3 h LEU 198 Ca 0.13 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.89 1xl3 h LEU 198 Cb 0.53 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1xl3 h LEU 198 CO -0.00 0.26 -0.09 0.03 0.09 0.00 0.00 178.44 178.72 1xl3 h ARG 199 N -0.19 -0.11 -0.83 1.13 3.08 -0.21 -2.02 114.38 115.23 1xl3 h ARG 199 Ca 0.01 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1xl3 h ARG 199 Cb 0.24 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.28 1xl3 h ARG 199 CO 0.00 -0.08 0.47 -0.44 -1.07 0.00 0.00 179.97 178.85 1xl3 h ASP 200 N -0.12 1.01 -0.48 7.04 3.32 -0.85 -1.77 116.42 124.58 1xl3 h ASP 200 Ca 0.07 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 56.98 1xl3 h ASP 200 Cb 0.22 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1xl3 h ASP 200 CO -0.16 0.80 0.05 0.74 -1.72 0.00 0.00 179.24 178.95 1xl3 h THR 201 N 1.15 1.25 -0.11 0.35 2.02 -0.65 -1.10 112.91 115.83 1xl3 h THR 201 Ca 0.29 -0.98 -0.01 0.00 0.77 0.00 0.00 66.41 66.49 1xl3 h THR 201 Cb 0.00 0.95 -0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1xl3 h THR 201 CO -0.05 0.34 0.04 0.22 0.37 0.00 0.00 175.52 176.44 1xl3 h TYR 202 N 0.68 0.17 -0.49 3.16 3.20 -1.18 -2.44 116.97 120.07 1xl3 h TYR 202 Ca 0.14 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.94 1xl3 h TYR 202 Cb 0.44 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 1xl3 h TYR 202 CO 0.03 0.28 0.06 -0.09 -1.64 0.00 0.00 178.16 176.80 1xl3 h ARG 203 N 0.01 0.82 -0.96 1.82 2.43 -1.08 -2.24 114.38 115.18 1xl3 h ARG 203 Ca 0.04 -0.23 0.03 0.00 -0.81 0.00 0.00 59.98 59.01 1xl3 h ARG 203 Cb 0.18 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.59 1xl3 h ARG 203 CO -0.00 0.83 0.63 -0.44 -1.51 0.00 0.00 179.97 179.48 1xl3 h ASP 204 N 0.69 1.05 -0.46 -3.80 3.32 -1.25 0.14 116.42 116.11 1xl3 h ASP 204 Ca 0.15 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.22 1xl3 h ASP 204 Cb 0.42 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1xl3 h ASP 204 CO 0.01 0.72 0.30 0.00 -1.72 0.00 0.00 179.24 178.56 1xl3 h ALA 205 N 1.39 1.82 0.15 3.45 0.00 -0.90 -1.99 119.26 123.18 1xl3 h ALA 205 Ca 0.38 -0.02 -0.36 0.00 0.00 0.00 0.00 54.91 54.91 1xl3 h ALA 205 Cb -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1xl3 h ALA 205 CO -0.12 0.12 -1.89 0.28 0.00 0.00 0.00 179.25 177.64 1xl3 h VAL 206 N 0.48 0.76 0.05 0.00 2.07 -1.03 -3.33 116.25 115.26 1xl3 h VAL 206 Ca 0.19 -2.42 -0.32 0.00 0.82 0.00 0.00 66.70 64.97 1xl3 h VAL 206 Cb 0.14 2.62 -0.04 0.00 -1.52 0.00 0.00 31.29 32.49 1xl3 h VAL 206 CO -0.05 0.88 -1.82 0.23 0.02 0.00 0.00 177.57 176.84 1xl3 n MET 207 N -3.53 0.69 -2.90 1.57 2.00 -0.01 -4.74 117.12 110.20 1xl3 n MET 207 Ca -0.29 0.29 -0.11 0.00 0.00 0.00 0.00 57.70 57.59 1xl3 n MET 207 Cb 1.06 -1.76 -0.00 0.00 0.00 0.00 0.00 33.22 32.51 1xl3 n MET 207 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1xl3 n GLY 208 N 1.74 0.45 3.72 3.03 0.00 -0.76 -5.07 105.19 108.30 1xl3 n GLY 208 Ca -0.23 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 1xl3 n GLY 208 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xl3 s TYR 209 N 0.44 3.33 -0.38 1.61 5.04 -1.16 -4.72 117.35 121.50 1xl3 s TYR 209 Ca 0.32 1.16 0.10 0.00 -2.44 0.00 0.00 57.07 56.21 1xl3 s TYR 209 Cb 0.10 -3.56 0.27 0.00 0.35 0.00 0.00 41.96 39.12 1xl3 s TYR 209 CO -0.14 -1.83 1.20 1.04 -1.34 0.00 0.00 175.55 174.48 1xl3 n GLN 210 N 3.54 2.67 0.00 4.97 1.13 -1.26 -5.10 117.38 123.32 1xl3 n GLN 210 Ca 0.09 -2.16 0.00 0.00 -1.94 0.00 0.00 57.00 52.99 1xl3 n GLN 210 Cb 0.44 -1.36 0.00 0.00 0.11 0.00 0.00 30.24 29.43 1xl3 n GLN 210 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xl3 n GLY 211 N -0.30 1.29 0.20 1.08 0.00 -1.26 -4.59 105.19 101.61 1xl3 n GLY 211 Ca 0.11 -2.14 -0.17 0.00 0.00 0.00 0.00 46.02 43.82 1xl3 n GLY 211 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1xl3 h ILE 212 N 0.00 1.32 -0.38 -0.61 2.10 -1.97 -2.06 117.51 115.90 1xl3 h ILE 212 Ca 0.00 -1.91 0.01 0.00 1.08 0.00 0.00 64.86 64.04 1xl3 h ILE 212 Cb 0.00 2.10 -0.02 0.00 -1.09 0.00 0.00 36.82 37.81 1xl3 h ILE 212 CO 0.00 0.59 0.24 0.22 -1.08 0.00 0.00 178.15 178.12 1xl3 h TYR 213 N 0.33 0.44 -0.69 2.19 3.20 -2.00 -2.05 116.97 118.40 1xl3 h TYR 213 Ca -0.05 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.78 1xl3 h TYR 213 Cb 1.30 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 39.39 1xl3 h TYR 213 CO 0.10 0.27 0.23 0.00 -1.64 0.00 0.00 178.16 177.12 1xl3 h ALA 214 N 1.16 0.90 -0.38 1.82 0.00 -1.80 -0.93 119.26 120.04 1xl3 h ALA 214 Ca 0.15 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1xl3 h ALA 214 Cb -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1xl3 h ALA 214 CO -0.05 0.57 -0.03 0.97 0.00 0.00 0.00 179.25 180.71 1xl3 h ILE 215 N 1.01 1.27 -0.68 0.00 2.10 -1.29 0.86 117.51 120.76 1xl3 h ILE 215 Ca 0.23 -1.05 0.11 0.00 1.08 0.00 0.00 64.86 65.23 1xl3 h ILE 215 Cb 0.28 1.18 -0.08 0.00 -1.09 0.00 0.00 36.82 37.10 1xl3 h ILE 215 CO -0.01 0.35 0.27 -0.25 -1.08 0.00 0.00 178.15 177.43 1xl3 h TRP 216 N 0.51 0.46 -0.27 2.19 2.91 -1.21 0.31 115.95 120.85 1xl3 h TRP 216 Ca 0.11 0.03 -0.15 0.00 1.13 0.00 0.00 58.89 60.01 1xl3 h TRP 216 Cb 0.51 -0.10 -0.00 0.00 -0.51 0.00 0.00 29.16 29.05 1xl3 h TRP 216 CO 0.04 0.09 -0.42 1.03 -1.03 0.00 0.00 178.44 178.15 1xl3 h SER 217 N 0.44 0.85 -0.67 2.65 0.87 -0.84 -2.15 113.55 114.69 1xl3 h SER 217 Ca 0.36 -0.52 -0.06 0.00 -1.23 0.00 0.00 61.79 60.34 1xl3 h SER 217 Cb 0.48 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 1xl3 h SER 217 CO -0.35 1.20 0.19 0.44 -0.53 0.00 0.00 176.83 177.77 1xl3 h ASP 218 N 0.52 1.02 -0.58 6.23 3.32 -0.56 -3.01 116.42 123.36 1xl3 h ASP 218 Ca 0.03 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.88 1xl3 h ASP 218 Cb 1.02 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.27 1xl3 h ASP 218 CO 0.10 0.96 0.37 -0.07 -1.72 0.00 0.00 179.24 178.88 1xl3 h LEU 219 N 1.03 0.67 -1.11 1.55 3.38 -0.82 -1.40 115.31 118.62 1xl3 h LEU 219 Ca 0.22 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1xl3 h LEU 219 Cb 0.33 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1xl3 h LEU 219 CO -0.00 0.50 0.00 0.00 0.09 0.00 0.00 178.44 179.03 1xl3 n GLN 220 N -4.67 0.01 0.00 1.13 1.13 -0.82 -1.42 117.38 112.73 1xl3 n GLN 220 Ca 0.04 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 1xl3 n GLN 220 Cb 0.03 -1.06 0.00 0.00 0.11 0.00 0.00 30.24 29.32 1xl3 n GLN 220 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1xl3 n ARG 222 N 0.55 0.00 -2.82 -1.09 1.74 -0.53 -3.06 116.66 111.46 1xl3 n ARG 222 Ca 0.00 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.87 1xl3 n ARG 222 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 1xl3 n ARG 222 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1xl3 n PHE 223 N 0.00 2.35 0.12 -1.55 3.72 -0.51 -4.93 117.46 116.66 1xl3 n PHE 223 Ca 0.00 -3.47 0.02 0.00 -0.05 0.00 0.00 57.45 53.95 1xl3 n PHE 223 Cb 0.00 -0.34 0.39 0.00 -0.94 0.00 0.00 39.48 38.58 1xl3 n PHE 223 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1xl3 h PRO 224 N 2.89 0.24 -0.08 -1.08 0.13 -1.76 -2.37 132.00 129.96 1xl3 h PRO 224 Ca 0.12 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 65.15 1xl3 h PRO 224 Cb 0.87 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 31.94 1xl3 h PRO 224 CO 0.68 0.38 -0.41 0.09 -0.23 0.00 0.00 178.00 178.52 1xl3 n ASN 225 N -4.27 1.89 -0.89 1.44 3.02 -1.26 -5.04 115.26 110.14 1xl3 n ASN 225 Ca -0.01 -3.89 0.00 0.00 -0.03 0.00 0.00 54.58 50.66 1xl3 n ASN 225 Cb 0.27 -0.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.89 1xl3 n ASN 225 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xl3 n GLY 226 N -1.12 2.49 2.96 7.41 0.00 -0.89 -4.97 105.19 111.07 1xl3 n GLY 226 Ca 0.22 -2.08 -0.30 0.00 0.00 0.00 0.00 46.02 43.86 1xl3 n GLY 226 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xl3 s ASP 227 N -0.85 4.40 0.26 1.61 -1.08 -1.26 -4.98 116.67 114.76 1xl3 s ASP 227 Ca 0.00 -2.90 0.03 0.00 -0.52 0.00 0.00 52.55 49.15 1xl3 s ASP 227 Cb 0.00 -1.65 0.33 0.00 -1.46 0.00 0.00 42.92 40.14 1xl3 s ASP 227 CO 0.00 -0.26 1.64 0.40 0.52 0.00 0.00 175.17 177.48 1xl3 h ILE 228 N 5.63 1.31 -0.86 4.11 2.04 -1.96 -2.14 117.51 125.64 1xl3 h ILE 228 Ca -0.07 -1.56 0.00 0.00 1.00 0.00 0.00 64.86 64.23 1xl3 h ILE 228 Cb 0.91 1.62 -0.04 0.00 -0.74 0.00 0.00 36.82 38.57 1xl3 h ILE 228 CO 0.67 0.48 0.55 0.44 0.00 0.00 0.00 178.15 180.28 1xl3 h ASP 229 N 0.33 1.00 -0.09 1.72 3.32 -1.99 0.56 116.42 121.28 1xl3 h ASP 229 Ca 0.03 -0.04 -0.13 0.00 0.02 0.00 0.00 57.03 56.91 1xl3 h ASP 229 Cb 0.87 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 1xl3 h ASP 229 CO 0.07 0.74 -0.38 -1.28 -1.72 0.00 0.00 179.24 176.68 1xl3 h SER 230 N 1.17 0.63 0.12 6.45 0.87 -1.91 -1.70 113.55 119.18 1xl3 h SER 230 Ca 0.31 -0.27 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 1xl3 h SER 230 Cb -0.10 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.68 1xl3 h SER 230 CO -0.06 0.94 -0.06 0.58 -0.53 0.00 0.00 176.83 177.70 1xl3 h VAL 231 N 0.50 0.98 -0.72 2.23 2.07 -0.67 -1.33 116.25 119.30 1xl3 h VAL 231 Ca 0.05 -0.40 0.12 0.00 0.82 0.00 0.00 66.70 67.29 1xl3 h VAL 231 Cb 0.88 1.23 -0.08 0.00 -1.52 0.00 0.00 31.29 31.79 1xl3 h VAL 231 CO 0.08 0.10 0.32 0.40 0.02 0.00 0.00 177.57 178.48 1xl3 h ILE 232 N -0.35 0.75 -0.46 4.57 2.04 -0.90 -1.01 117.51 122.14 1xl3 h ILE 232 Ca -0.02 -0.17 0.05 0.00 1.00 0.00 0.00 64.86 65.72 1xl3 h ILE 232 Cb 0.29 0.19 -0.05 0.00 -0.74 0.00 0.00 36.82 36.51 1xl3 h ILE 232 CO 0.03 0.09 0.19 0.25 0.00 0.00 0.00 178.15 178.71 1xl3 h LEU 233 N 0.51 0.24 -0.64 1.44 5.85 -1.13 -1.04 115.31 120.54 1xl3 h LEU 233 Ca 0.38 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 59.10 1xl3 h LEU 233 Cb 0.50 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1xl3 h LEU 233 CO -0.34 0.17 0.24 0.15 -0.34 0.00 0.00 178.44 178.33 1xl3 h PHE 234 N 0.39 0.99 0.14 1.25 3.57 -0.36 -3.19 116.94 119.74 1xl3 h PHE 234 Ca 0.21 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1xl3 h PHE 234 Cb 0.18 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.62 1xl3 h PHE 234 CO -0.13 0.79 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.60 1xl3 h LEU 235 N 0.91 -0.16 -0.77 0.59 3.38 -1.03 -0.28 115.31 117.94 1xl3 h LEU 235 Ca 0.21 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1xl3 h LEU 235 Cb 0.23 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1xl3 h LEU 235 CO -0.01 0.16 0.00 1.67 0.09 0.00 0.00 178.44 180.35 1xl3 n GLN 236 N -5.04 0.00 0.00 1.13 0.00 -0.41 -0.33 117.38 112.73 1xl3 n GLN 236 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.91 1xl3 n GLN 236 Cb 0.21 -0.82 0.00 0.00 0.00 0.00 0.00 30.24 29.63 1xl3 n GLN 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1xl3 n ALA 238 N 0.14 0.00 0.11 1.69 0.00 -0.12 -0.55 120.51 121.78 1xl3 n ALA 238 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1xl3 n ALA 238 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.61 1xl3 n ALA 238 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1xl3 h LEU 239 N 0.00 0.16 0.16 0.00 3.38 -0.94 -2.20 115.31 115.87 1xl3 h LEU 239 Ca 0.00 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1xl3 h LEU 239 Cb 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1xl3 h LEU 239 CO 0.00 0.70 -0.07 -1.28 0.09 0.00 0.00 178.44 177.88 1xl3 h SER 240 N 0.11 -0.18 -0.63 -0.43 0.87 -1.06 -1.16 113.55 111.08 1xl3 h SER 240 Ca -0.00 -0.00 0.13 0.00 -1.23 0.00 0.00 61.79 60.68 1xl3 h SER 240 Cb 1.05 0.05 -0.12 0.00 -0.44 0.00 0.00 62.40 62.94 1xl3 h SER 240 CO 0.08 -0.12 -0.15 0.00 -0.53 0.00 0.00 176.83 176.11 1xl3 h ALA 241 N 0.63 0.42 -0.83 6.23 0.00 -1.77 -1.25 119.26 122.68 1xl3 h ALA 241 Ca -0.02 0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1xl3 h ALA 241 Cb 0.17 0.48 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 1xl3 h ALA 241 CO 0.04 -0.42 0.54 -0.44 0.00 0.00 0.00 179.25 178.96 1xl3 h ASP 242 N 0.00 0.90 -0.43 0.00 3.32 -1.25 -2.38 116.42 116.58 1xl3 h ASP 242 Ca 0.30 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 1xl3 h ASP 242 Cb 0.46 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1xl3 h ASP 242 CO -0.65 0.63 0.23 0.25 -1.72 0.00 0.00 179.24 177.99 1xl3 h LEU 243 N 1.06 0.55 -0.83 1.55 5.85 -0.13 -2.34 115.31 121.03 1xl3 h LEU 243 Ca 0.32 -0.10 0.16 0.00 0.84 0.00 0.00 57.88 59.10 1xl3 h LEU 243 Cb -0.03 -0.14 -0.10 0.00 0.37 0.00 0.00 40.66 40.76 1xl3 h LEU 243 CO -0.10 0.49 0.37 1.56 -0.34 0.00 0.00 178.44 180.43 1xl3 h GLN 244 N 0.56 0.49 -0.64 1.25 7.50 -0.74 -1.51 115.11 122.03 1xl3 h GLN 244 Ca 0.15 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.27 1xl3 h GLN 244 Cb 0.07 -0.11 0.00 0.00 0.05 0.00 0.00 27.48 27.49 1xl3 h GLN 244 CO -0.02 0.32 0.00 -1.13 -1.50 0.00 0.00 178.83 176.50 1xl3 n SER 245 N -4.96 4.76 -4.74 1.46 3.41 -0.94 -5.01 113.62 107.60 1xl3 n SER 245 Ca 0.17 -2.56 -0.41 0.00 -0.26 0.00 0.00 58.87 55.81 1xl3 n SER 245 Cb 0.48 -0.60 -0.04 0.00 -0.26 0.00 0.00 64.21 63.79 1xl3 n SER 245 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1xl3 s GLN 246 N -2.10 4.65 -0.18 4.33 2.00 -0.57 -4.93 119.66 122.87 1xl3 s GLN 246 Ca 0.48 1.60 0.09 0.00 -2.00 0.00 0.00 55.36 55.53 1xl3 s GLN 246 Cb 0.33 -3.31 0.55 0.00 0.80 0.00 0.00 33.01 31.38 1xl3 s GLN 246 CO 0.20 0.16 1.38 1.04 -0.50 0.00 0.00 175.29 177.58 1xl3 n GLN 247 N 2.46 3.48 0.00 1.67 1.13 -1.26 -4.90 117.38 119.96 1xl3 n GLN 247 Ca 0.02 -2.14 0.00 0.00 -1.94 0.00 0.00 57.00 52.94 1xl3 n GLN 247 Cb 0.47 -2.00 0.00 0.00 0.11 0.00 0.00 30.24 28.82 1xl3 n GLN 247 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1xl3 n SER 248 N 0.31 0.00 0.05 1.08 2.88 -1.26 -5.09 113.62 111.59 1xl3 n SER 248 Ca 0.21 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 1xl3 n SER 248 Cb 0.95 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.41 1xl3 n SER 248 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xl3 n GLY 249 N 0.00 -0.95 0.24 0.46 0.00 -1.26 -4.73 105.19 98.95 1xl3 n GLY 249 Ca 0.00 0.14 -0.07 0.00 0.00 0.00 0.00 46.02 46.09 1xl3 n GLY 249 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1xl3 h SER 250 N 0.00 0.64 -0.31 1.61 0.87 -1.99 -1.52 113.55 112.85 1xl3 h SER 250 Ca 0.00 -0.26 0.01 0.00 -1.23 0.00 0.00 61.79 60.31 1xl3 h SER 250 Cb 0.00 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 1xl3 h SER 250 CO 0.00 0.93 0.18 1.23 -0.53 0.00 0.00 176.83 178.64 1xl3 h GLY 251 N 1.02 0.43 0.62 5.77 0.00 -1.99 -3.07 103.07 105.85 1xl3 h GLY 251 Ca 0.05 -0.14 0.08 0.00 0.00 0.00 0.00 47.33 47.33 1xl3 h GLY 251 CO 0.07 0.12 0.49 3.21 0.00 0.00 0.00 176.54 180.43 1xl3 h ARG 252 N 0.37 0.83 -0.42 4.80 3.08 -1.82 -2.04 114.38 119.18 1xl3 h ARG 252 Ca 0.12 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1xl3 h ARG 252 Cb 0.00 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.87 1xl3 h ARG 252 CO -0.06 0.55 0.00 -1.91 -1.07 0.00 0.00 179.97 177.48 1xl3 n GLU 253 N -4.70 0.11 0.00 0.04 2.13 -0.58 -1.78 120.64 115.86 1xl3 n GLU 253 Ca 0.13 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.95 1xl3 n GLU 253 Cb 0.23 -1.12 0.00 0.00 0.27 0.00 0.00 31.44 30.81 1xl3 n GLU 253 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1xl3 n LEU 255 N 0.53 0.00 -0.31 4.31 4.77 -0.77 -1.52 117.00 124.02 1xl3 n LEU 255 Ca 0.00 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.05 1xl3 n LEU 255 Cb 0.03 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.35 1xl3 n LEU 255 CO 0.00 0.00 1.13 1.23 -1.33 0.00 0.00 177.39 178.42 1xl3 h GLY 256 N 0.00 1.42 0.76 -0.72 0.00 -1.61 -0.33 103.07 102.59 1xl3 h GLY 256 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 1xl3 h GLY 256 CO 0.00 0.01 0.01 -2.22 0.00 0.00 0.00 176.54 174.33 1xl3 h ILE 257 N 0.70 1.23 -0.33 2.60 2.04 -1.56 -1.83 117.51 120.36 1xl3 h ILE 257 Ca 0.46 -0.71 0.01 0.00 1.00 0.00 0.00 64.86 65.62 1xl3 h ILE 257 Cb 0.61 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 1xl3 h ILE 257 CO -0.34 0.20 0.21 0.58 0.00 0.00 0.00 178.15 178.80 1xl3 h VAL 258 N -0.13 1.06 -0.62 1.67 2.07 -1.82 -0.79 116.25 117.69 1xl3 h VAL 258 Ca 0.02 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 1xl3 h VAL 258 Cb 0.31 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1xl3 h VAL 258 CO 0.00 0.08 0.18 0.40 0.02 0.00 0.00 177.57 178.25 1xl3 h ILE 259 N 0.42 1.25 -0.17 4.57 2.04 -0.90 0.54 117.51 125.25 1xl3 h ILE 259 Ca 0.12 -0.86 -0.10 0.00 1.00 0.00 0.00 64.86 65.02 1xl3 h ILE 259 Cb -0.03 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 1xl3 h ILE 259 CO -0.04 0.33 -0.31 0.77 0.00 0.00 0.00 178.15 178.90 1xl3 h SER 260 N 0.89 0.35 -0.41 1.72 4.64 -1.26 0.20 113.55 119.68 1xl3 h SER 260 Ca 0.20 -0.12 -0.05 0.00 -0.47 0.00 0.00 61.79 61.35 1xl3 h SER 260 Cb 0.31 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 1xl3 h SER 260 CO -0.00 0.65 0.07 0.44 -0.87 0.00 0.00 176.83 177.12 1xl3 h ASP 261 N 0.30 0.65 -0.93 4.97 3.32 -0.67 -2.64 116.42 121.43 1xl3 h ASP 261 Ca 0.04 -0.26 0.04 0.00 0.02 0.00 0.00 57.03 56.88 1xl3 h ASP 261 Cb 0.70 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 40.02 1xl3 h ASP 261 CO 0.05 0.74 0.61 -0.07 -1.72 0.00 0.00 179.24 178.85 1xl3 h LEU 262 N 0.53 0.99 -1.65 1.55 3.38 -0.47 -1.58 115.31 118.06 1xl3 h LEU 262 Ca 0.13 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1xl3 h LEU 262 Cb 0.36 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1xl3 h LEU 262 CO 0.01 0.67 0.00 0.00 0.09 0.00 0.00 178.44 179.20 1xl3 n GLN 263 N -4.46 0.10 -1.06 1.13 6.02 0.02 -4.72 117.38 114.42 1xl3 n GLN 263 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 1xl3 n GLN 263 Cb 0.13 -1.31 0.00 0.00 1.02 0.00 0.00 30.24 30.08 1xl3 n GLN 263 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1xl3 n LEU 265 N 0.78 0.00 0.00 1.08 4.77 -0.60 -4.64 117.00 118.38 1xl3 n LEU 265 Ca 0.00 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1xl3 n LEU 265 Cb 0.04 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1xl3 n LEU 265 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.44 1xl3 n GLU 267 N -0.73 0.00 -0.37 3.23 1.02 -1.26 -0.06 120.64 122.47 1xl3 n GLU 267 Ca 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1xl3 n GLU 267 Cb 0.14 0.00 0.14 0.00 -0.02 0.00 0.00 31.44 31.70 1xl3 n GLU 267 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1xl3 h PHE 268 N 0.00 1.23 -0.12 -0.32 3.57 -1.96 -2.19 116.94 117.14 1xl3 h PHE 268 Ca 0.00 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.57 1xl3 h PHE 268 Cb 0.00 -0.41 -0.00 0.00 2.79 0.00 0.00 35.95 38.32 1xl3 h PHE 268 CO 0.00 0.73 0.09 0.78 -2.23 0.00 0.00 178.31 177.68 1xl3 h GLY 269 N 1.28 0.00 1.99 2.40 0.00 -0.86 -1.81 103.07 106.08 1xl3 h GLY 269 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1xl3 h GLY 269 CO -0.11 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.29 1xl3 n SER 270 N -4.44 0.00 -1.00 0.19 3.41 -0.83 -2.41 113.62 108.55 1xl3 n SER 270 Ca -0.00 0.49 -0.01 0.00 -0.26 0.00 0.00 58.87 59.10 1xl3 n SER 270 Cb 0.21 -0.50 0.21 0.00 -0.26 0.00 0.00 64.21 63.87 1xl3 n SER 270 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1xl3 n VAL 271 N -1.50 2.44 0.06 -3.33 0.24 -0.68 -4.82 118.33 110.75 1xl3 n VAL 271 Ca 0.06 -2.65 -0.03 0.00 -2.04 0.00 0.00 64.34 59.67 1xl3 n VAL 271 Cb 0.27 -0.30 0.19 0.00 -1.47 0.00 0.00 33.84 32.53 1xl3 n VAL 271 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1xl3 h SER 272 N 1.06 0.35 -0.23 -1.34 4.64 -1.54 -2.08 113.55 114.41 1xl3 h SER 272 Ca 0.15 -0.15 -0.15 0.00 -0.47 0.00 0.00 61.79 61.18 1xl3 h SER 272 Cb 1.52 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.51 1xl3 h SER 272 CO 0.30 0.72 -0.39 0.44 -0.87 0.00 0.00 176.83 177.03 1xl3 h ASP 273 N 0.28 0.82 -0.47 4.97 3.32 -1.88 -3.09 116.42 120.38 1xl3 h ASP 273 Ca 0.03 -0.37 0.02 0.00 0.02 0.00 0.00 57.03 56.73 1xl3 h ASP 273 Cb 0.82 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 1xl3 h ASP 273 CO 0.07 1.12 0.27 1.56 -1.72 0.00 0.00 179.24 180.53 1xl3 h GLN 274 N 0.63 0.52 -0.23 3.56 7.50 -1.82 0.18 115.11 125.46 1xl3 h GLN 274 Ca 0.05 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.17 1xl3 h GLN 274 Cb 0.95 -0.12 0.00 0.00 0.05 0.00 0.00 27.48 28.36 1xl3 h GLN 274 CO 0.09 0.35 0.00 0.28 -1.50 0.00 0.00 178.83 178.04 1xl3 n VAL 275 N -4.84 0.01 0.00 -0.54 0.31 -0.82 -2.60 118.33 109.85 1xl3 n VAL 275 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1xl3 n VAL 275 Cb 0.08 -0.08 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1xl3 n VAL 275 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xl3 n GLY 277 N 0.50 0.00 0.19 2.92 0.00 0.62 -1.17 105.19 108.25 1xl3 n GLY 277 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1xl3 n GLY 277 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1xl3 h PHE 278 N 0.00 -0.36 -0.20 1.61 3.57 -1.76 -2.36 116.94 117.44 1xl3 h PHE 278 Ca 0.00 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.54 1xl3 h PHE 278 Cb 0.00 0.12 -0.05 0.00 2.79 0.00 0.00 35.95 38.81 1xl3 h PHE 278 CO 0.00 -0.12 -0.10 2.35 -2.23 0.00 0.00 178.31 178.21 1xl3 h TRP 279 N -0.55 -0.25 -0.71 0.41 7.01 -1.43 -2.43 115.95 118.00 1xl3 h TRP 279 Ca -0.04 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 60.95 1xl3 h TRP 279 Cb 0.40 0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 27.57 1xl3 h TRP 279 CO -0.01 -0.16 0.33 1.96 -2.79 0.00 0.00 178.44 177.77 1xl3 h GLN 280 N -0.08 1.03 -0.34 2.65 4.20 -1.81 0.43 115.11 121.19 1xl3 h GLN 280 Ca 0.11 -0.16 0.02 0.00 0.06 0.00 0.00 58.65 58.68 1xl3 h GLN 280 Cb 0.25 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1xl3 h GLN 280 CO -0.25 0.82 0.19 0.35 -0.67 0.00 0.00 178.83 179.26 1xl3 h PHE 281 N 1.00 0.35 0.00 2.96 3.57 -1.08 -3.28 116.94 120.46 1xl3 h PHE 281 Ca 0.24 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.76 1xl3 h PHE 281 Cb 0.13 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.76 1xl3 h PHE 281 CO 0.01 0.20 -1.07 1.19 -2.23 0.00 0.00 178.31 176.41 1xl3 n PHE 282 N -4.91 0.06 1.61 0.41 3.01 -0.94 -5.12 117.46 111.57 1xl3 n PHE 282 Ca -0.00 0.02 0.14 0.00 1.01 0.00 0.00 57.45 58.62 1xl3 n PHE 282 Cb 0.06 -0.20 0.62 0.00 -0.01 0.00 0.00 39.48 39.95 1xl3 n PHE 282 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64