#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a87 s ALA 92 N 0.00 3.23 -0.22 7.33 0.00 -1.03 -4.84 121.76 126.23 1a87 s ALA 92 Ca 0.00 -1.41 -0.07 0.00 0.00 0.00 0.00 51.96 50.48 1a87 s ALA 92 Cb 0.00 -2.33 -0.03 0.00 0.00 0.00 0.00 23.12 20.76 1a87 s ALA 92 CO 0.00 -1.64 0.05 0.21 0.00 0.00 0.00 175.76 174.38 1a87 s LYS 93 N -5.33 3.74 -0.84 0.00 2.20 -1.26 -1.04 119.74 117.20 1a87 s LYS 93 Ca 0.67 -0.45 -0.08 0.00 -0.36 0.00 0.00 55.97 55.75 1a87 s LYS 93 Cb -0.06 -3.24 0.22 0.00 -1.51 0.00 0.00 37.83 33.23 1a87 s LYS 93 CO 0.46 -0.01 0.75 0.08 -0.36 0.00 0.00 175.35 176.27 1a87 s VAL 94 N 1.13 4.92 0.00 4.02 1.01 0.79 -4.94 120.40 127.33 1a87 s VAL 94 Ca 0.04 -3.08 0.00 0.00 0.00 0.00 0.00 61.98 58.94 1a87 s VAL 94 Cb -0.14 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.18 1a87 s VAL 94 CO 0.03 -1.03 0.00 0.61 0.00 0.00 0.00 175.10 174.71 1a87 n GLY 95 N 3.25 1.34 0.07 4.51 0.00 -1.26 -2.57 105.19 110.53 1a87 n GLY 95 Ca 0.16 0.27 -0.03 0.00 0.00 0.00 0.00 46.02 46.41 1a87 n GLY 95 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a87 n GLU 96 N 0.00 0.67 -2.66 1.61 -0.58 -1.26 -5.02 120.64 113.40 1a87 n GLU 96 Ca 0.00 -0.03 -0.12 0.00 -0.42 0.00 0.00 57.16 56.59 1a87 n GLU 96 Cb 0.00 -1.56 -0.00 0.00 -0.57 0.00 0.00 31.44 29.30 1a87 n GLU 96 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 1a87 n ILE 97 N -2.64 0.00 -3.98 -3.67 -5.35 -1.06 -5.03 119.36 97.63 1a87 n ILE 97 Ca -0.22 -1.01 -0.30 0.00 -0.27 0.00 0.00 62.75 60.96 1a87 n ILE 97 Cb 0.95 -0.20 -0.16 0.00 -1.74 0.00 0.00 39.64 38.49 1a87 n ILE 97 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 1a87 s THR 98 N -1.33 1.47 -0.07 7.28 2.01 -1.26 -0.15 115.64 123.59 1a87 s THR 98 Ca 0.12 -0.72 -0.14 0.00 0.31 0.00 0.00 61.69 61.26 1a87 s THR 98 Cb -0.01 -1.49 -0.05 0.00 0.01 0.00 0.00 72.50 70.96 1a87 s THR 98 CO 0.07 0.30 0.35 -0.63 -0.69 0.00 0.00 174.62 174.03 1a87 s ILE 99 N 1.50 5.18 -0.03 1.82 -1.09 -0.21 -1.57 121.20 126.80 1a87 s ILE 99 Ca 0.02 0.69 0.02 0.00 -2.23 0.00 0.00 60.65 59.16 1a87 s ILE 99 Cb -0.14 -3.66 0.01 0.00 -1.58 0.00 0.00 42.46 37.08 1a87 s ILE 99 CO -0.09 0.51 -0.09 -0.89 -1.23 0.00 0.00 174.94 173.15 1a87 s THR 100 N -0.49 0.81 -0.02 2.92 2.01 -0.14 -2.46 115.64 118.27 1a87 s THR 100 Ca 0.21 -0.35 -0.30 0.00 0.31 0.00 0.00 61.69 61.56 1a87 s THR 100 Cb -0.15 -0.73 -0.04 0.00 0.01 0.00 0.00 72.50 71.59 1a87 s THR 100 CO 0.09 0.26 1.19 -2.84 -0.69 0.00 0.00 174.62 172.63 1a87 s PRO 101 N 0.36 4.38 -0.56 4.92 0.02 -1.26 0.98 135.00 143.84 1a87 s PRO 101 Ca -0.06 1.69 -0.27 0.00 0.02 0.00 0.00 61.00 62.38 1a87 s PRO 101 Cb -0.10 -3.50 -0.02 0.00 0.02 0.00 0.00 34.50 30.89 1a87 s PRO 101 CO 0.01 -0.38 1.86 0.34 -0.33 0.00 0.00 177.00 178.50 1a87 s ASP 102 N 1.35 5.37 0.26 2.53 2.15 0.88 -4.83 116.67 124.38 1a87 s ASP 102 Ca 0.56 0.54 -0.04 0.00 0.43 0.00 0.00 52.55 54.05 1a87 s ASP 102 Cb -0.26 -2.53 0.53 0.00 -0.30 0.00 0.00 42.92 40.36 1a87 s ASP 102 CO 0.24 -2.26 1.64 -0.55 -0.17 0.00 0.00 175.17 174.07 1a87 h ASN 103 N 14.69 -0.20 0.21 -0.34 -0.00 -1.92 0.56 115.58 128.58 1a87 h ASN 103 Ca -0.27 0.19 -0.04 0.00 -0.00 0.00 0.00 56.30 56.18 1a87 h ASN 103 Cb 1.17 0.30 -0.01 0.00 -0.00 0.00 0.00 38.32 39.78 1a87 h ASN 103 CO 1.18 -0.15 -0.19 0.77 -0.00 0.00 0.00 177.43 179.04 1a87 h SER 104 N 0.16 0.00 -2.91 6.14 4.64 -1.97 -3.41 113.55 116.19 1a87 h SER 104 Ca 0.46 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 61.38 1a87 h SER 104 Cb 0.85 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.55 1a87 h SER 104 CO -0.65 0.19 -0.70 -0.75 -0.87 0.00 0.00 176.83 174.05 1a87 s LYS 105 N -4.57 0.09 0.27 4.77 2.20 0.19 -5.13 119.74 117.56 1a87 s LYS 105 Ca -0.04 0.08 -0.30 0.00 -0.36 0.00 0.00 55.97 55.36 1a87 s LYS 105 Cb 0.15 -1.44 -0.10 0.00 -1.51 0.00 0.00 37.83 34.93 1a87 s LYS 105 CO 0.69 -0.62 1.46 -2.14 -0.36 0.00 0.00 175.35 174.38 1a87 s PRO 106 N 2.21 4.24 0.00 4.03 0.02 -1.26 -2.51 135.00 141.73 1a87 s PRO 106 Ca 0.04 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.42 1a87 s PRO 106 Cb -0.15 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.28 1a87 s PRO 106 CO -0.09 -0.45 0.00 0.41 -0.33 0.00 0.00 177.00 176.54 1a87 n GLY 107 N 2.02 0.77 3.17 0.52 0.00 -1.26 -4.92 105.19 105.48 1a87 n GLY 107 Ca 0.06 -0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 1a87 n GLY 107 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a87 s ARG 108 N -0.53 1.51 0.16 1.61 6.06 -1.04 0.34 118.95 127.06 1a87 s ARG 108 Ca 0.00 -0.64 0.07 0.00 -2.50 0.00 0.00 55.73 52.66 1a87 s ARG 108 Cb 0.00 -1.43 -0.04 0.00 0.06 0.00 0.00 34.95 33.54 1a87 s ARG 108 CO 0.00 0.36 -0.14 0.71 -2.50 0.00 0.00 175.30 173.73 1a87 s TYR 109 N -0.34 1.57 -0.12 5.12 1.51 0.37 -0.08 117.35 125.37 1a87 s TYR 109 Ca 0.05 -0.58 0.02 0.00 -1.01 0.00 0.00 57.07 55.55 1a87 s TYR 109 Cb -0.08 -0.77 -0.00 0.00 -0.11 0.00 0.00 41.96 41.00 1a87 s TYR 109 CO -0.00 0.25 -0.19 0.42 -1.11 0.00 0.00 175.55 174.92 1a87 s ILE 110 N -2.61 2.47 -0.11 2.71 1.01 0.27 -0.54 121.20 124.41 1a87 s ILE 110 Ca 0.16 -0.86 -0.21 0.00 0.00 0.00 0.00 60.65 59.74 1a87 s ILE 110 Cb -0.02 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 1a87 s ILE 110 CO 0.05 0.54 0.61 -0.55 0.00 0.00 0.00 174.94 175.59 1a87 s SER 111 N 0.49 6.83 0.23 3.58 0.15 0.16 -0.96 113.70 124.18 1a87 s SER 111 Ca -0.13 0.99 -0.05 0.00 0.70 0.00 0.00 55.95 57.47 1a87 s SER 111 Cb -0.17 -2.36 0.24 0.00 -1.71 0.00 0.00 66.02 62.03 1a87 s SER 111 CO 0.05 -0.11 1.74 0.77 1.20 0.00 0.00 173.24 176.89 1a87 h SER 112 N 6.89 0.90 -2.62 5.45 4.64 -1.61 -3.39 113.55 123.80 1a87 h SER 112 Ca -0.39 -0.21 -0.53 0.00 -0.47 0.00 0.00 61.79 60.19 1a87 h SER 112 Cb 1.18 -0.24 -0.39 0.00 -0.31 0.00 0.00 62.40 62.64 1a87 h SER 112 CO 0.76 0.92 -0.80 0.21 -0.87 0.00 0.00 176.83 177.05 1a87 s ASN 113 N -6.57 3.07 0.66 4.97 2.47 -1.26 -4.99 114.94 113.28 1a87 s ASN 113 Ca -0.11 -1.68 0.23 0.00 0.42 0.00 0.00 52.86 51.73 1a87 s ASN 113 Cb 0.15 -0.28 1.23 0.00 -1.45 0.00 0.00 41.25 40.89 1a87 s ASN 113 CO 0.83 -0.37 1.69 -0.65 -3.72 0.00 0.00 177.10 174.88 1a87 h PRO 114 N 7.71 0.00 -0.14 0.43 0.11 -1.78 -1.19 132.00 137.13 1a87 h PRO 114 Ca -0.07 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.08 1a87 h PRO 114 Cb 1.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1a87 h PRO 114 CO 0.34 0.00 0.13 1.49 -0.21 0.00 0.00 178.00 179.75 1a87 h GLU 115 N 0.00 0.00 -0.01 1.05 4.81 -1.93 0.61 114.58 119.10 1a87 h GLU 115 Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1a87 h GLU 115 Cb 1.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1a87 h GLU 115 CO -0.00 0.00 -0.04 0.66 -0.73 0.00 0.00 179.01 178.90 1a87 n TYR 116 N -4.05 0.00 -2.19 0.92 4.01 -0.45 -4.51 117.16 110.88 1a87 n TYR 116 Ca 0.00 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.45 1a87 n TYR 116 Cb 0.25 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.30 1a87 n TYR 116 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1a87 n SER 117 N 0.53 5.52 -3.23 7.72 3.41 -0.50 -4.79 113.62 122.27 1a87 n SER 117 Ca 0.07 -3.75 -0.23 0.00 -0.26 0.00 0.00 58.87 54.69 1a87 n SER 117 Cb 0.29 -0.59 0.04 0.00 -0.26 0.00 0.00 64.21 63.69 1a87 n SER 117 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1a87 n LEU 118 N -0.57 -2.61 -2.75 1.04 4.32 -1.20 -1.20 117.00 114.03 1a87 n LEU 118 Ca 0.45 -0.38 -0.22 0.00 -0.02 0.00 0.00 56.01 55.84 1a87 n LEU 118 Cb 0.64 -2.82 0.02 0.00 -1.62 0.00 0.00 43.42 39.64 1a87 n LEU 118 CO 0.41 0.31 -0.11 0.18 -1.22 0.00 0.00 177.39 176.96 1a87 n LEU 119 N -4.20 -2.39 -4.01 2.23 4.77 0.20 -4.89 117.00 108.72 1a87 n LEU 119 Ca -0.07 -0.18 -0.23 0.00 -0.03 0.00 0.00 56.01 55.50 1a87 n LEU 119 Cb 0.59 -2.98 -0.16 0.00 -2.33 0.00 0.00 43.42 38.54 1a87 n LEU 119 CO 0.53 0.04 -0.46 0.00 -1.33 0.00 0.00 177.39 176.18 1a87 s ALA 120 N -3.13 1.13 0.00 -1.18 0.00 -0.34 -4.60 121.76 113.64 1a87 s ALA 120 Ca 0.18 -0.36 -0.03 0.00 0.00 0.00 0.00 51.96 51.75 1a87 s ALA 120 Cb -0.08 -0.50 -0.28 0.00 0.00 0.00 0.00 23.12 22.26 1a87 s ALA 120 CO 0.22 0.11 0.86 -0.22 0.00 0.00 0.00 175.76 176.73 1a87 h LYS 121 N 6.88 0.25 -5.67 0.00 3.64 -1.84 -3.41 116.57 116.41 1a87 h LYS 121 Ca -0.33 -0.42 -0.66 0.00 -1.27 0.00 0.00 60.65 57.98 1a87 h LYS 121 Cb 1.18 0.16 -0.14 0.00 -0.41 0.00 0.00 32.23 33.01 1a87 h LYS 121 CO 0.48 1.11 -0.58 -0.51 -2.27 0.00 0.00 179.45 177.67 1a87 s LEU 122 N -6.98 3.77 -0.01 5.20 1.43 -1.26 0.39 118.68 121.23 1a87 s LEU 122 Ca -0.09 0.17 0.03 0.00 -1.03 0.00 0.00 54.13 53.21 1a87 s LEU 122 Cb 0.07 -1.90 -0.00 0.00 0.03 0.00 0.00 46.19 44.38 1a87 s LEU 122 CO 0.85 0.31 -0.08 -0.63 0.23 0.00 0.00 176.35 177.03 1a87 s ILE 123 N -0.49 0.67 -0.19 -0.59 1.01 0.30 -2.30 121.20 119.61 1a87 s ILE 123 Ca 0.10 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.40 1a87 s ILE 123 Cb -0.12 -0.57 0.02 0.00 0.01 0.00 0.00 42.46 41.80 1a87 s ILE 123 CO 0.02 0.20 -0.18 -1.81 0.00 0.00 0.00 174.94 173.17 1a87 s ASP 124 N -0.12 3.35 0.11 3.58 1.01 -0.58 0.14 116.67 124.16 1a87 s ASP 124 Ca 0.02 -0.72 0.04 0.00 0.71 0.00 0.00 52.55 52.60 1a87 s ASP 124 Cb -0.04 -1.50 -0.04 0.00 1.01 0.00 0.00 42.92 42.34 1a87 s ASP 124 CO -0.00 -0.02 0.08 0.00 0.21 0.00 0.00 175.17 175.43 1a87 s ALA 125 N 1.28 3.51 0.00 5.23 0.00 0.15 -1.32 121.76 130.61 1a87 s ALA 125 Ca 0.04 -1.10 -0.13 0.00 0.00 0.00 0.00 51.96 50.77 1a87 s ALA 125 Cb -0.14 -1.36 0.02 0.00 0.00 0.00 0.00 23.12 21.64 1a87 s ALA 125 CO -0.12 0.67 0.27 -2.00 0.00 0.00 0.00 175.76 174.58 1a87 s GLU 126 N -2.59 0.66 -0.32 0.00 2.12 -0.51 -4.76 118.70 113.30 1a87 s GLU 126 Ca 0.29 -0.30 -0.01 0.00 0.36 0.00 0.00 54.97 55.31 1a87 s GLU 126 Cb -0.11 0.29 0.13 0.00 0.26 0.00 0.00 34.13 34.69 1a87 s GLU 126 CO 0.22 -0.18 0.23 -1.54 -0.54 0.00 0.00 175.26 173.44 1a87 s SER 127 N -1.49 2.60 -0.19 -1.70 1.04 -1.26 0.64 113.70 113.34 1a87 s SER 127 Ca -0.12 -1.48 -0.04 0.00 0.48 0.00 0.00 55.95 54.79 1a87 s SER 127 Cb -0.05 -0.03 -0.02 0.00 0.10 0.00 0.00 66.02 66.02 1a87 s SER 127 CO 0.02 -0.36 -0.02 -0.63 0.98 0.00 0.00 173.24 173.23 1a87 s ILE 128 N 1.76 3.81 -1.42 -1.02 1.09 -0.92 -2.57 121.20 121.93 1a87 s ILE 128 Ca 0.13 -0.37 -0.10 0.00 -1.10 0.00 0.00 60.65 59.21 1a87 s ILE 128 Cb -0.17 -2.71 0.07 0.00 -1.06 0.00 0.00 42.46 38.58 1a87 s ILE 128 CO -0.20 0.44 0.66 0.29 -0.10 0.00 0.00 174.94 176.04 1a87 n LYS 129 N 4.15 -4.31 -0.86 2.79 5.02 -0.91 -1.52 118.16 122.52 1a87 n LYS 129 Ca -0.17 0.59 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 1a87 n LYS 129 Cb 0.52 -5.39 0.00 0.00 -0.02 0.00 0.00 35.03 30.14 1a87 n LYS 129 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a87 n GLY 130 N -1.40 0.76 3.48 0.72 0.00 -1.26 -4.90 105.19 102.60 1a87 n GLY 130 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1a87 n GLY 130 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a87 s THR 131 N -2.91 4.08 0.17 2.61 2.01 -0.58 -2.64 115.64 118.40 1a87 s THR 131 Ca 0.00 -0.27 -0.22 0.00 0.31 0.00 0.00 61.69 61.51 1a87 s THR 131 Cb 0.00 -2.84 -0.08 0.00 0.01 0.00 0.00 72.50 69.59 1a87 s THR 131 CO 0.00 0.44 0.71 -1.61 -0.69 0.00 0.00 174.62 173.47 1a87 s GLU 132 N 0.84 4.36 -0.10 4.92 0.41 -0.69 -2.16 118.70 126.28 1a87 s GLU 132 Ca 0.01 0.95 -0.01 0.00 -0.41 0.00 0.00 54.97 55.51 1a87 s GLU 132 Cb -0.14 -3.09 0.03 0.00 -1.78 0.00 0.00 34.13 29.15 1a87 s GLU 132 CO 0.02 0.51 -0.04 0.08 -0.49 0.00 0.00 175.26 175.34 1a87 s VAL 133 N -1.30 0.71 -0.15 2.63 1.01 0.21 0.07 120.40 123.57 1a87 s VAL 133 Ca 0.38 -0.12 -0.05 0.00 0.00 0.00 0.00 61.98 62.19 1a87 s VAL 133 Cb -0.20 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 1a87 s VAL 133 CO 0.23 0.29 0.01 -0.31 0.00 0.00 0.00 175.10 175.32 1a87 s TYR 134 N 1.83 3.15 -0.26 5.22 2.02 0.54 -1.43 117.35 128.42 1a87 s TYR 134 Ca 0.05 -0.04 0.02 0.00 -0.37 0.00 0.00 57.07 56.73 1a87 s TYR 134 Cb -0.13 -1.97 0.06 0.00 -0.40 0.00 0.00 41.96 39.53 1a87 s TYR 134 CO -0.07 0.15 -0.09 0.99 -1.57 0.00 0.00 175.55 174.96 1a87 s THR 135 N 0.09 2.02 -0.37 -0.71 2.01 -0.44 0.15 115.64 118.39 1a87 s THR 135 Ca 0.02 -1.57 -0.16 0.00 0.31 0.00 0.00 61.69 60.30 1a87 s THR 135 Cb -0.13 -2.18 0.00 0.00 0.01 0.00 0.00 72.50 70.20 1a87 s THR 135 CO 0.02 -0.07 0.40 -0.36 -0.69 0.00 0.00 174.62 173.92 1a87 s PHE 136 N 1.16 3.19 -0.73 4.92 0.40 -0.37 -1.53 117.98 125.03 1a87 s PHE 136 Ca -0.08 -0.14 -0.25 0.00 -0.60 0.00 0.00 56.93 55.87 1a87 s PHE 136 Cb -0.20 -2.76 0.05 0.00 0.51 0.00 0.00 43.02 40.62 1a87 s PHE 136 CO -0.05 -0.53 1.15 -1.01 0.70 0.00 0.00 175.22 175.47 1a87 s HIS 137 N 2.08 2.49 -0.13 0.36 3.76 -0.97 -1.79 115.29 121.08 1a87 s HIS 137 Ca 0.12 -0.36 -0.13 0.00 -0.15 0.00 0.00 55.06 54.53 1a87 s HIS 137 Cb -0.17 -4.48 -0.11 0.00 1.11 0.00 0.00 32.58 28.93 1a87 s HIS 137 CO 0.12 -1.87 0.23 1.79 -0.85 0.00 0.00 174.74 174.17 1a87 h THR 138 N 6.05 0.67 -1.89 1.30 1.35 -1.79 -3.37 112.91 115.23 1a87 h THR 138 Ca -0.24 -1.58 -0.60 0.00 -0.55 0.00 0.00 66.41 63.45 1a87 h THR 138 Cb 1.06 1.34 -0.13 0.00 -1.73 0.00 0.00 68.15 68.69 1a87 h THR 138 CO 1.24 0.23 -0.51 -0.13 -0.25 0.00 0.00 175.52 176.10 1a87 s ARG 139 N -1.99 2.03 0.08 4.72 1.81 -1.23 -4.90 118.95 119.47 1a87 s ARG 139 Ca -0.12 -2.26 -0.31 0.00 -1.72 0.00 0.00 55.73 51.32 1a87 s ARG 139 Cb 0.00 -0.91 -0.07 0.00 -0.45 0.00 0.00 34.95 33.52 1a87 s ARG 139 CO 0.33 -0.44 1.44 0.15 -0.68 0.00 0.00 175.30 176.10 1a87 s LYS 140 N -3.76 4.29 0.00 3.54 3.01 -1.26 -1.92 119.74 123.64 1a87 s LYS 140 Ca 0.18 2.10 0.00 0.00 -1.01 0.00 0.00 55.97 57.24 1a87 s LYS 140 Cb 0.02 -3.37 0.00 0.00 -1.01 0.00 0.00 37.83 33.47 1a87 s LYS 140 CO 0.11 -0.53 0.00 0.41 0.51 0.00 0.00 175.35 175.85 1a87 n GLY 141 N 3.62 0.27 3.39 -3.33 0.00 -1.26 -4.97 105.19 102.91 1a87 n GLY 141 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1a87 n GLY 141 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a87 s GLN 142 N -1.00 1.68 -0.05 1.61 0.74 -0.81 -4.73 119.66 117.10 1a87 s GLN 142 Ca 0.00 -1.19 -0.31 0.00 0.05 0.00 0.00 55.36 53.91 1a87 s GLN 142 Cb 0.00 -1.99 0.11 0.00 1.10 0.00 0.00 33.01 32.23 1a87 s GLN 142 CO 0.00 0.49 1.09 1.52 -0.55 0.00 0.00 175.29 177.84 1a87 s TYR 143 N -0.95 -0.18 -0.21 1.67 -0.85 -0.99 -3.08 117.35 112.77 1a87 s TYR 143 Ca 0.14 0.06 -0.04 0.00 -0.52 0.00 0.00 57.07 56.71 1a87 s TYR 143 Cb -0.10 0.55 -0.01 0.00 0.38 0.00 0.00 41.96 42.77 1a87 s TYR 143 CO 0.05 -0.41 -0.04 0.08 -1.52 0.00 0.00 175.55 173.71 1a87 s VAL 144 N -2.75 3.54 -0.21 -3.49 1.01 -0.74 -1.38 120.40 116.37 1a87 s VAL 144 Ca 0.09 -0.45 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 1a87 s VAL 144 Cb 0.00 -2.60 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 1a87 s VAL 144 CO -0.05 0.43 0.18 -0.75 0.00 0.00 0.00 175.10 174.91 1a87 s LYS 145 N 1.21 4.15 -0.14 2.72 2.20 0.23 -1.23 119.74 128.88 1a87 s LYS 145 Ca 0.03 -0.18 0.02 0.00 -0.36 0.00 0.00 55.97 55.48 1a87 s LYS 145 Cb -0.14 -3.48 0.01 0.00 -1.51 0.00 0.00 37.83 32.71 1a87 s LYS 145 CO -0.01 0.18 -0.22 0.08 -0.36 0.00 0.00 175.35 175.02 1a87 s VAL 146 N 0.71 2.07 -0.11 4.02 1.01 0.41 -0.46 120.40 128.06 1a87 s VAL 146 Ca 0.09 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.13 1a87 s VAL 146 Cb -0.12 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.44 1a87 s VAL 146 CO 0.02 0.55 -0.22 0.28 0.00 0.00 0.00 175.10 175.73 1a87 s THR 147 N 0.82 1.91 -0.52 3.92 -1.32 -0.59 0.20 115.64 120.06 1a87 s THR 147 Ca -0.07 -0.92 0.01 0.00 -1.21 0.00 0.00 61.69 59.50 1a87 s THR 147 Cb -0.15 -1.67 0.13 0.00 -1.51 0.00 0.00 72.50 69.30 1a87 s THR 147 CO -0.02 0.53 0.29 -0.69 -2.21 0.00 0.00 174.62 172.51 1a87 s VAL 148 N 0.53 3.03 0.01 5.08 1.01 0.11 -1.85 120.40 128.32 1a87 s VAL 148 Ca -0.15 -2.91 -0.31 0.00 0.00 0.00 0.00 61.98 58.61 1a87 s VAL 148 Cb -0.17 -3.06 -0.10 0.00 0.00 0.00 0.00 36.38 33.05 1a87 s VAL 148 CO 0.05 -0.79 1.94 -2.65 0.00 0.00 0.00 175.10 173.65 1a87 n PRO 149 N 3.58 2.69 -2.76 2.72 -0.02 -1.26 -1.70 135.00 138.25 1a87 n PRO 149 Ca 0.05 0.99 -0.20 0.00 -2.02 0.00 0.00 63.50 62.32 1a87 n PRO 149 Cb 0.37 -2.91 0.01 0.00 -0.02 0.00 0.00 33.50 30.94 1a87 n PRO 149 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1a87 n ASP 150 N 7.12 -5.18 -2.40 2.55 8.00 -1.08 -1.16 116.55 124.40 1a87 n ASP 150 Ca 0.20 -0.11 -0.14 0.00 0.71 0.00 0.00 54.79 55.45 1a87 n ASP 150 Cb 0.38 -4.28 -0.01 0.00 -0.02 0.00 0.00 41.12 37.19 1a87 n ASP 150 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1a87 n SER 151 N -2.17 -4.27 -4.25 -2.24 7.64 -0.72 -4.90 113.62 102.71 1a87 n SER 151 Ca -0.15 0.16 -0.41 0.00 1.01 0.00 0.00 58.87 59.48 1a87 n SER 151 Cb 0.63 -3.62 -0.09 0.00 -1.01 0.00 0.00 64.21 60.12 1a87 n SER 151 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1a87 s ASN 152 N -2.04 5.72 0.64 6.43 2.47 -0.31 -4.93 114.94 122.94 1a87 s ASN 152 Ca 0.00 -1.73 0.31 0.00 0.42 0.00 0.00 52.86 51.87 1a87 s ASN 152 Cb 0.00 -2.02 1.71 0.00 -1.45 0.00 0.00 41.25 39.49 1a87 s ASN 152 CO 0.00 -0.64 1.99 -0.29 -3.72 0.00 0.00 177.10 174.44 1a87 h ILE 153 N 6.08 0.12 0.00 -5.21 6.09 -1.91 0.23 117.51 122.91 1a87 h ILE 153 Ca -0.23 0.00 -0.07 0.00 -1.37 0.00 0.00 64.86 63.19 1a87 h ILE 153 Cb 1.08 0.72 -0.01 0.00 0.47 0.00 0.00 36.82 39.08 1a87 h ILE 153 CO 0.83 0.00 -0.34 0.44 -3.07 0.00 0.00 178.15 176.01 1a87 h ASP 154 N 0.00 0.00 -0.58 2.19 3.32 -1.93 -2.72 116.42 116.70 1a87 h ASP 154 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1a87 h ASP 154 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1a87 h ASP 154 CO -0.00 0.34 0.00 0.29 -1.72 0.00 0.00 179.24 178.15 1a87 n LYS 155 N -3.67 2.84 -1.71 3.56 5.02 0.79 -4.98 118.16 120.01 1a87 n LYS 155 Ca -0.01 -2.29 -0.42 0.00 -2.02 0.00 0.00 58.31 53.57 1a87 n LYS 155 Cb 0.45 -1.63 -0.01 0.00 -0.02 0.00 0.00 35.03 33.82 1a87 n LYS 155 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1a87 n MET 156 N 1.10 2.22 -4.47 1.97 1.56 -1.03 -4.50 117.12 113.97 1a87 n MET 156 Ca 0.21 0.78 -0.21 0.00 -0.27 0.00 0.00 57.70 58.20 1a87 n MET 156 Cb 0.64 -2.38 -0.16 0.00 2.15 0.00 0.00 33.22 33.47 1a87 n MET 156 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 1a87 s ARG 157 N -1.91 1.10 -0.01 2.12 0.52 -0.77 -5.02 118.95 114.99 1a87 s ARG 157 Ca 0.55 -0.36 0.05 0.00 -0.52 0.00 0.00 55.73 55.45 1a87 s ARG 157 Cb -0.55 -1.01 -0.03 0.00 0.52 0.00 0.00 34.95 33.87 1a87 s ARG 157 CO 0.62 0.14 -0.15 0.08 0.02 0.00 0.00 175.30 176.01 1a87 s VAL 158 N 0.16 2.97 -0.07 3.52 1.01 -1.26 -1.54 120.40 125.19 1a87 s VAL 158 Ca -0.03 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 60.99 1a87 s VAL 158 Cb -0.09 -2.21 0.04 0.00 0.00 0.00 0.00 36.38 34.13 1a87 s VAL 158 CO 0.01 0.47 0.14 -1.81 0.00 0.00 0.00 175.10 173.91 1a87 s ASP 159 N -1.08 0.56 -0.34 3.32 1.01 0.39 -4.97 116.67 115.57 1a87 s ASP 159 Ca 0.13 0.29 -0.14 0.00 0.71 0.00 0.00 52.55 53.54 1a87 s ASP 159 Cb -0.11 0.20 -0.02 0.00 1.01 0.00 0.00 42.92 44.01 1a87 s ASP 159 CO 0.03 -0.22 0.31 -0.31 0.21 0.00 0.00 175.17 175.20 1a87 s TYR 160 N 1.98 3.22 -0.20 4.23 1.51 -1.26 0.76 117.35 127.58 1a87 s TYR 160 Ca 0.00 -0.06 -0.03 0.00 -1.01 0.00 0.00 57.07 55.96 1a87 s TYR 160 Cb -0.12 -2.59 -0.01 0.00 -0.11 0.00 0.00 41.96 39.13 1a87 s TYR 160 CO -0.05 -0.39 -0.06 0.08 -1.11 0.00 0.00 175.55 174.02 1a87 s VAL 161 N 1.91 3.36 -0.97 0.71 1.01 -0.48 -4.48 120.40 121.46 1a87 s VAL 161 Ca 0.10 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.52 1a87 s VAL 161 Cb -0.17 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 33.71 1a87 s VAL 161 CO 0.11 0.44 0.63 0.59 0.00 0.00 0.00 175.10 176.87 1a87 n ASN 162 N 4.52 -4.80 -4.69 3.32 4.13 -1.26 -2.34 115.26 114.14 1a87 n ASN 162 Ca -0.18 -0.29 -0.42 0.00 1.68 0.00 0.00 54.58 55.38 1a87 n ASN 162 Cb 0.51 -3.51 -0.03 0.00 -1.54 0.00 0.00 39.78 35.20 1a87 n ASN 162 CO 0.00 0.00 0.00 0.86 0.28 0.00 0.00 177.26 178.40 1a87 s TRP 163 N -3.10 3.51 -0.26 3.10 -0.11 -1.26 -4.73 118.94 116.09 1a87 s TRP 163 Ca 0.31 1.43 0.02 0.00 1.22 0.00 0.00 56.10 59.08 1a87 s TRP 163 Cb -0.14 -3.05 0.06 0.00 -1.50 0.00 0.00 33.47 28.85 1a87 s TRP 163 CO 0.38 -0.15 -0.07 0.15 -4.62 0.00 0.00 176.95 172.64 1a87 s LYS 164 N 1.71 1.94 0.00 5.86 -0.14 -1.26 -5.04 119.74 122.81 1a87 s LYS 164 Ca 0.43 -1.27 0.00 0.00 -1.36 0.00 0.00 55.97 53.77 1a87 s LYS 164 Cb -0.18 -2.80 0.00 0.00 -1.68 0.00 0.00 37.83 33.17 1a87 s LYS 164 CO 0.17 -0.62 0.00 0.41 -0.76 0.00 0.00 175.35 174.55 1a87 n GLY 165 N 4.50 0.65 3.89 -3.33 0.00 -1.26 -5.08 105.19 104.56 1a87 n GLY 165 Ca -0.12 -2.12 -0.29 0.00 0.00 0.00 0.00 46.02 43.49 1a87 n GLY 165 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a87 s PRO 166 N -0.98 3.68 -0.07 1.61 0.04 -1.26 -5.05 135.00 132.98 1a87 s PRO 166 Ca 0.00 0.33 -0.22 0.00 0.04 0.00 0.00 61.00 61.15 1a87 s PRO 166 Cb 0.00 -2.41 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 1a87 s PRO 166 CO 0.00 -0.07 0.63 0.15 0.04 0.00 0.00 177.00 177.75 1a87 s LYS 167 N -4.12 4.40 0.63 4.56 1.02 -1.26 -5.03 119.74 119.93 1a87 s LYS 167 Ca 0.49 0.75 -0.18 0.00 0.02 0.00 0.00 55.97 57.06 1a87 s LYS 167 Cb -0.10 -3.43 -0.05 0.00 -0.52 0.00 0.00 37.83 33.73 1a87 s LYS 167 CO 0.36 0.14 0.77 0.66 -0.92 0.00 0.00 175.35 176.36 1a87 n TYR 168 N 3.57 0.11 -2.70 3.18 4.01 -1.26 -4.93 117.16 119.14 1a87 n TYR 168 Ca -0.04 0.42 -0.41 0.00 -0.16 0.00 0.00 57.90 57.72 1a87 n TYR 168 Cb 0.51 -2.04 -0.05 0.00 -0.31 0.00 0.00 39.34 37.45 1a87 n TYR 168 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1a87 s ASN 169 N -1.32 7.52 0.19 7.72 3.84 -1.26 -4.96 114.94 126.68 1a87 s ASN 169 Ca 0.72 1.90 -0.20 0.00 0.21 0.00 0.00 52.86 55.49 1a87 s ASN 169 Cb -0.40 -2.60 0.13 0.00 -0.55 0.00 0.00 41.25 37.83 1a87 s ASN 169 CO 0.51 -0.00 1.58 0.78 -2.79 0.00 0.00 177.10 177.18 1a87 h ASN 170 N 4.92 -1.18 -0.92 -4.21 -0.26 -2.00 -1.11 115.58 110.82 1a87 h ASN 170 Ca -0.44 0.23 0.26 0.00 -0.56 0.00 0.00 56.30 55.79 1a87 h ASN 170 Cb 1.21 0.59 -0.14 0.00 -1.06 0.00 0.00 38.32 38.91 1a87 h ASN 170 CO 0.70 -0.30 0.34 0.50 -1.06 0.00 0.00 177.43 177.62 1a87 h LYS 171 N -0.15 0.25 0.12 0.81 3.11 -1.98 0.64 116.57 119.38 1a87 h LYS 171 Ca 0.24 -0.02 0.02 0.00 -2.81 0.00 0.00 60.65 58.09 1a87 h LYS 171 Cb 0.55 -0.06 -0.04 0.00 -1.00 0.00 0.00 32.23 31.69 1a87 h LYS 171 CO -0.70 0.17 -0.30 1.25 -2.81 0.00 0.00 179.45 177.06 1a87 h LEU 172 N 0.26 -0.85 0.33 5.20 5.85 -1.60 0.32 115.31 124.82 1a87 h LEU 172 Ca 0.61 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 59.42 1a87 h LEU 172 Cb 1.27 0.32 -0.02 0.00 0.37 0.00 0.00 40.66 42.60 1a87 h LEU 172 CO -0.63 -0.39 -0.33 0.58 -0.34 0.00 0.00 178.44 177.33 1a87 h VAL 173 N -0.52 0.32 -0.62 1.05 2.07 -0.23 -2.73 116.25 115.60 1a87 h VAL 173 Ca 0.03 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.67 1a87 h VAL 173 Cb 0.55 0.32 -0.12 0.00 -1.52 0.00 0.00 31.29 30.51 1a87 h VAL 173 CO -0.17 0.00 -0.16 0.50 0.02 0.00 0.00 177.57 177.75 1a87 h LYS 174 N -0.69 -0.01 -0.77 1.57 3.64 0.33 -0.46 116.57 120.18 1a87 h LYS 174 Ca -0.02 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.50 1a87 h LYS 174 Cb 0.62 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.31 1a87 h LYS 174 CO -0.06 -0.01 -0.31 -0.09 -2.27 0.00 0.00 179.45 176.71 1a87 h ARG 175 N -0.01 -0.07 -0.01 1.90 2.43 -0.04 -0.87 114.38 117.71 1a87 h ARG 175 Ca 0.29 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.41 1a87 h ARG 175 Cb 0.46 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1a87 h ARG 175 CO -0.64 -0.04 -0.21 0.35 -1.51 0.00 0.00 179.97 177.92 1a87 h PHE 176 N -0.07 0.23 -0.64 2.20 3.57 -1.20 -3.32 116.94 117.70 1a87 h PHE 176 Ca 0.31 -0.12 0.12 0.00 3.53 0.00 0.00 57.97 61.81 1a87 h PHE 176 Cb 0.58 -0.03 -0.09 0.00 2.79 0.00 0.00 35.95 39.20 1a87 h PHE 176 CO -0.70 0.90 0.19 0.28 -2.23 0.00 0.00 178.31 176.75 1a87 h VAL 177 N -0.51 0.66 -0.69 1.41 2.07 -0.66 -1.19 116.25 117.34 1a87 h VAL 177 Ca -0.02 -0.11 0.12 0.00 0.82 0.00 0.00 66.70 67.50 1a87 h VAL 177 Cb 0.95 0.30 -0.13 0.00 -1.52 0.00 0.00 31.29 30.90 1a87 h VAL 177 CO 0.04 0.06 -0.33 0.28 0.02 0.00 0.00 177.57 177.64 1a87 h SER 178 N 0.33 -1.17 0.01 0.57 0.02 -1.27 0.53 113.55 112.57 1a87 h SER 178 Ca 0.34 0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 61.53 1a87 h SER 178 Cb 0.50 0.60 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1a87 h SER 178 CO -0.39 -0.30 -0.00 1.56 -1.14 0.00 0.00 176.83 176.56 1a87 h GLN 179 N -0.11 -0.01 -0.79 3.45 1.08 -1.50 -2.78 115.11 114.45 1a87 h GLN 179 Ca 0.27 0.00 0.16 0.00 -1.45 0.00 0.00 58.65 57.63 1a87 h GLN 179 Cb 0.56 0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 27.89 1a87 h GLN 179 CO -0.75 0.39 0.32 0.35 -0.95 0.00 0.00 178.83 178.19 1a87 h PHE 180 N -0.42 0.53 -0.08 2.96 3.57 -0.05 0.29 116.94 123.74 1a87 h PHE 180 Ca -0.00 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.58 1a87 h PHE 180 Cb 0.41 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 38.98 1a87 h PHE 180 CO 0.07 0.04 -0.24 1.25 -2.23 0.00 0.00 178.31 177.19 1a87 h LEU 181 N 0.44 -0.74 -0.13 0.59 6.46 0.05 0.13 115.31 122.11 1a87 h LEU 181 Ca 0.44 0.11 0.03 0.00 -0.12 0.00 0.00 57.88 58.35 1a87 h LEU 181 Cb 0.71 0.32 -0.03 0.00 -0.73 0.00 0.00 40.66 40.93 1a87 h LEU 181 CO -0.43 -0.30 -0.06 0.25 -0.62 0.00 0.00 178.44 177.28 1a87 h LEU 182 N -0.33 -0.19 -0.44 2.25 5.85 -0.61 -1.99 115.31 119.85 1a87 h LEU 182 Ca 0.09 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.93 1a87 h LEU 182 Cb 0.46 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.53 1a87 h LEU 182 CO -0.27 -0.08 0.04 0.15 -0.34 0.00 0.00 178.44 177.94 1a87 h PHE 183 N -0.04 0.05 -0.32 1.25 3.57 -0.09 -2.03 116.94 119.34 1a87 h PHE 183 Ca 0.07 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.67 1a87 h PHE 183 Cb 0.14 0.04 -0.07 0.00 2.79 0.00 0.00 35.95 38.86 1a87 h PHE 183 CO -0.19 -0.05 -0.16 0.00 -2.23 0.00 0.00 178.31 175.68 1a87 h ARG 184 N 0.16 -0.12 -0.11 1.11 3.08 -0.18 0.04 114.38 118.37 1a87 h ARG 184 Ca 0.22 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.32 1a87 h ARG 184 Cb 0.30 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.33 1a87 h ARG 184 CO -0.33 -0.08 -0.21 0.87 -1.07 0.00 0.00 179.97 179.15 1a87 h LYS 185 N -0.12 -0.27 -0.32 0.04 1.57 -0.71 -1.45 116.57 115.31 1a87 h LYS 185 Ca 0.16 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 59.03 1a87 h LYS 185 Cb 0.37 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.68 1a87 h LYS 185 CO -0.39 -0.18 -0.08 0.93 -0.57 0.00 0.00 179.45 179.15 1a87 h GLU 186 N -0.28 -0.01 -0.57 3.15 5.08 -0.81 -1.21 114.58 119.93 1a87 h GLU 186 Ca 0.09 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.57 1a87 h GLU 186 Cb 0.42 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.57 1a87 h GLU 186 CO -0.27 -0.00 -0.03 1.49 -1.00 0.00 0.00 179.01 179.19 1a87 h GLU 187 N -0.01 0.08 0.71 2.33 4.81 -0.39 0.12 114.58 122.23 1a87 h GLU 187 Ca 0.16 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 1a87 h GLU 187 Cb 0.24 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 1a87 h GLU 187 CO -0.34 0.05 -0.40 0.87 -0.73 0.00 0.00 179.01 178.47 1a87 h LYS 188 N 0.09 -1.00 -0.78 1.92 1.79 -0.62 -1.11 116.57 116.85 1a87 h LYS 188 Ca 0.29 0.07 0.18 0.00 -2.18 0.00 0.00 60.65 59.01 1a87 h LYS 188 Cb 0.45 0.23 -0.13 0.00 -1.58 0.00 0.00 32.23 31.20 1a87 h LYS 188 CO -0.51 -0.66 0.12 0.93 -1.08 0.00 0.00 179.45 178.25 1a87 h GLU 189 N -1.03 0.18 0.68 3.15 5.08 -0.69 0.35 114.58 122.30 1a87 h GLU 189 Ca -0.09 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1a87 h GLU 189 Cb 0.82 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1a87 h GLU 189 CO 0.12 0.12 -0.37 -0.22 -1.00 0.00 0.00 179.01 177.65 1a87 h LYS 190 N 0.18 -0.94 -1.01 2.33 3.64 -0.56 -2.59 116.57 117.62 1a87 h LYS 190 Ca 0.45 0.06 0.24 0.00 -1.27 0.00 0.00 60.65 60.13 1a87 h LYS 190 Cb 0.82 0.21 -0.12 0.00 -0.41 0.00 0.00 32.23 32.74 1a87 h LYS 190 CO -0.61 -0.62 0.61 -0.91 -2.27 0.00 0.00 179.45 175.64 1a87 h ASN 191 N -0.97 0.68 0.09 4.20 -0.26 -0.05 -0.28 115.58 118.98 1a87 h ASN 191 Ca -0.09 0.12 0.01 0.00 -0.56 0.00 0.00 56.30 55.78 1a87 h ASN 191 Cb 0.76 0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 38.02 1a87 h ASN 191 CO 0.12 0.14 -0.13 -0.08 -1.06 0.00 0.00 177.43 176.43 1a87 h GLU 192 N 0.60 -0.25 -0.66 0.81 4.81 -0.14 0.75 114.58 120.50 1a87 h GLU 192 Ca 0.62 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.85 1a87 h GLU 192 Cb 1.18 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.59 1a87 h GLU 192 CO -0.43 -0.16 0.34 0.87 -0.73 0.00 0.00 179.01 178.89 1a87 h LYS 193 N -0.26 0.95 -1.00 1.92 1.79 -0.75 -1.66 116.57 117.56 1a87 h LYS 193 Ca 0.02 -0.13 0.06 0.00 -2.18 0.00 0.00 60.65 58.42 1a87 h LYS 193 Cb 0.27 -0.18 -0.07 0.00 -1.58 0.00 0.00 32.23 30.67 1a87 h LYS 193 CO -0.06 0.74 0.64 1.49 -1.08 0.00 0.00 179.45 181.18 1a87 h GLU 194 N 0.92 1.15 0.12 3.15 4.57 -0.76 -2.69 114.58 121.03 1a87 h GLU 194 Ca 0.23 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.34 1a87 h GLU 194 Cb 0.09 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 28.42 1a87 h GLU 194 CO -0.03 0.76 -0.06 0.00 -1.18 0.00 0.00 179.01 178.50 1a87 h ALA 195 N 1.44 -0.16 -0.97 2.92 0.00 -0.09 -3.11 119.26 119.29 1a87 h ALA 195 Ca 0.42 -0.22 0.17 0.00 0.00 0.00 0.00 54.91 55.28 1a87 h ALA 195 Cb 0.14 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 17.89 1a87 h ALA 195 CO -0.16 -0.35 0.58 -0.07 0.00 0.00 0.00 179.25 179.25 1a87 h LEU 196 N -0.64 0.76 0.64 0.00 3.38 -1.24 0.20 115.31 118.40 1a87 h LEU 196 Ca -0.02 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1a87 h LEU 196 Cb 0.50 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.20 1a87 h LEU 196 CO 0.03 0.30 -0.31 -0.07 0.09 0.00 0.00 178.44 178.48 1a87 h LEU 197 N 0.78 -0.74 -1.06 1.67 3.38 -1.53 0.34 115.31 118.15 1a87 h LEU 197 Ca 0.54 0.03 0.16 0.00 0.09 0.00 0.00 57.88 58.70 1a87 h LEU 197 Cb 0.78 0.19 -0.09 0.00 0.09 0.00 0.00 40.66 41.62 1a87 h LEU 197 CO -0.36 -0.52 0.62 0.50 0.09 0.00 0.00 178.44 178.77 1a87 h LYS 198 N -0.86 0.80 -0.46 1.13 1.63 -1.38 0.16 116.57 117.59 1a87 h LYS 198 Ca -0.09 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.60 1a87 h LYS 198 Cb 0.66 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 32.09 1a87 h LYS 198 CO 0.14 0.53 0.04 0.00 -3.45 0.00 0.00 179.45 176.71 1a87 h ALA 199 N 1.60 0.61 -0.67 5.00 0.00 -0.43 -2.16 119.26 123.21 1a87 h ALA 199 Ca 0.54 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.21 1a87 h ALA 199 Cb 0.77 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1a87 h ALA 199 CO -0.32 0.36 0.45 0.66 0.00 0.00 0.00 179.25 180.40 1a87 h SER 200 N 0.63 0.76 0.54 0.00 4.64 0.15 -0.48 113.55 119.80 1a87 h SER 200 Ca 0.14 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.41 1a87 h SER 200 Cb 0.43 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1a87 h SER 200 CO 0.01 0.55 -0.26 -0.33 -0.87 0.00 0.00 176.83 175.93 1a87 h GLU 201 N 0.90 -0.70 -0.57 4.77 5.08 -0.67 0.67 114.58 124.06 1a87 h GLU 201 Ca 0.25 0.05 0.12 0.00 -1.00 0.00 0.00 59.36 58.77 1a87 h GLU 201 Cb -0.09 0.16 -0.10 0.00 0.50 0.00 0.00 28.75 29.22 1a87 h GLU 201 CO -0.06 -0.47 -0.02 -0.07 -1.00 0.00 0.00 179.01 177.40 1a87 h LEU 202 N -0.73 -0.29 -0.82 1.33 3.38 -0.95 0.25 115.31 117.48 1a87 h LEU 202 Ca -0.07 0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1a87 h LEU 202 Cb 0.56 0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 1a87 h LEU 202 CO 0.12 -0.11 0.19 0.58 0.09 0.00 0.00 178.44 179.31 1a87 h VAL 203 N 0.10 1.25 -0.37 1.22 2.07 -0.83 -0.17 116.25 119.52 1a87 h VAL 203 Ca 0.29 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 1a87 h VAL 203 Cb 0.46 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1a87 h VAL 203 CO -0.50 0.35 0.19 -1.28 0.02 0.00 0.00 177.57 176.35 1a87 h SER 204 N 1.03 0.48 -0.66 0.57 0.87 0.70 -0.97 113.55 115.57 1a87 h SER 204 Ca 0.22 -0.11 -0.05 0.00 -1.23 0.00 0.00 61.79 60.62 1a87 h SER 204 Cb 0.32 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 1a87 h SER 204 CO -0.00 0.45 0.21 1.23 -0.53 0.00 0.00 176.83 178.19 1a87 h GLY 205 N 0.47 1.12 0.84 5.77 0.00 -0.23 0.27 103.07 111.32 1a87 h GLY 205 Ca 0.13 -0.65 0.07 0.00 0.00 0.00 0.00 47.33 46.88 1a87 h GLY 205 CO -0.02 0.61 0.59 1.98 0.00 0.00 0.00 176.54 179.70 1a87 h MET 206 N 1.01 0.99 0.26 4.80 -1.53 -0.59 0.11 114.93 119.98 1a87 h MET 206 Ca 0.22 -0.06 -0.01 0.00 -3.44 0.00 0.00 59.70 56.42 1a87 h MET 206 Cb 0.29 -0.22 -0.01 0.00 -0.55 0.00 0.00 31.60 31.10 1a87 h MET 206 CO -0.01 0.65 -0.30 0.78 0.14 0.00 0.00 176.91 178.18 1a87 h GLY 207 N 1.02 -1.05 -0.21 1.39 0.00 0.40 -0.40 103.07 104.21 1a87 h GLY 207 Ca 0.39 0.49 0.12 0.00 0.00 0.00 0.00 47.33 48.33 1a87 h GLY 207 CO -0.15 -0.33 -0.15 -0.55 0.00 0.00 0.00 176.54 175.36 1a87 h ASP 208 N -0.57 -0.56 0.10 0.19 3.32 -0.77 0.93 116.42 119.06 1a87 h ASP 208 Ca -0.03 0.18 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 1a87 h ASP 208 Cb 0.50 0.37 0.00 0.00 0.22 0.00 0.00 39.33 40.42 1a87 h ASP 208 CO -0.05 -0.20 -0.05 0.50 -1.72 0.00 0.00 179.24 177.71 1a87 h LYS 209 N -0.00 -0.13 -0.35 3.56 3.64 -0.55 -3.07 116.57 119.67 1a87 h LYS 209 Ca 0.29 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.75 1a87 h LYS 209 Cb 0.44 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1a87 h LYS 209 CO -0.62 -0.09 0.24 -0.07 -2.27 0.00 0.00 179.45 176.64 1a87 h LEU 210 N -0.14 0.11 -1.83 5.20 3.38 -1.00 -1.51 115.31 119.52 1a87 h LEU 210 Ca -0.01 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.03 1a87 h LEU 210 Cb 0.11 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1a87 h LEU 210 CO 0.02 0.07 0.26 1.23 0.09 0.00 0.00 178.44 180.11 1a87 h GLY 211 N 0.13 0.26 1.74 0.83 0.00 -0.74 0.91 103.07 106.19 1a87 h GLY 211 Ca 0.16 -0.08 0.03 0.00 0.00 0.00 0.00 47.33 47.43 1a87 h GLY 211 CO -0.02 0.06 0.12 0.83 0.00 0.00 0.00 176.54 177.53 1a87 h GLU 212 N 0.20 0.13 0.02 4.80 5.08 -1.18 0.75 114.58 124.38 1a87 h GLU 212 Ca 0.17 -0.01 -0.40 0.00 -1.00 0.00 0.00 59.36 58.13 1a87 h GLU 212 Cb 0.43 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.59 1a87 h GLU 212 CO -0.03 0.08 -2.32 0.66 -1.00 0.00 0.00 179.01 176.41 1a87 n TYR 213 N -4.50 0.28 0.07 4.33 4.02 -0.06 -4.69 117.16 116.61 1a87 n TYR 213 Ca 0.00 0.08 -0.10 0.00 -0.01 0.00 0.00 57.90 57.88 1a87 n TYR 213 Cb 0.16 -1.03 0.00 0.00 -0.02 0.00 0.00 39.34 38.45 1a87 n TYR 213 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1a87 h LEU 214 N -0.40 0.37 0.00 7.72 4.07 0.89 -3.50 115.31 124.46 1a87 h LEU 214 Ca -0.58 -0.28 0.00 0.00 0.08 0.00 0.00 57.88 57.10 1a87 h LEU 214 Cb 1.78 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 43.40 1a87 h LEU 214 CO -0.18 1.06 0.00 0.61 -1.08 0.00 0.00 178.44 178.84 1a87 n GLY 215 N 0.77 3.36 0.26 0.83 0.00 0.24 -4.73 105.19 105.93 1a87 n GLY 215 Ca -0.04 -1.92 -0.07 0.00 0.00 0.00 0.00 46.02 43.99 1a87 n GLY 215 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1a87 h VAL 216 N 0.17 1.27 -0.59 1.61 3.04 -1.98 -2.53 116.25 117.25 1a87 h VAL 216 Ca 0.00 -1.29 0.10 0.00 -1.01 0.00 0.00 66.70 64.50 1a87 h VAL 216 Cb 0.00 1.18 -0.08 0.00 -2.01 0.00 0.00 31.29 30.38 1a87 h VAL 216 CO 0.00 0.43 0.17 0.11 -1.01 0.00 0.00 177.57 177.27 1a87 h LYS 217 N 0.67 0.31 0.64 4.17 1.57 -1.96 0.56 116.57 122.53 1a87 h LYS 217 Ca 0.10 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1a87 h LYS 217 Cb 0.70 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 1a87 h LYS 217 CO 0.05 0.21 -0.46 -0.92 -0.57 0.00 0.00 179.45 177.76 1a87 h TYR 218 N 0.32 -1.23 -1.03 -1.35 3.20 -1.79 -2.35 116.97 112.73 1a87 h TYR 218 Ca 0.30 -0.00 0.27 0.00 3.14 0.00 0.00 58.73 62.44 1a87 h TYR 218 Cb 0.42 0.45 -0.12 0.00 1.54 0.00 0.00 36.73 39.02 1a87 h TYR 218 CO -0.21 -0.65 0.63 -0.22 -1.64 0.00 0.00 178.16 176.07 1a87 h LYS 219 N -1.05 0.45 -0.11 1.82 3.64 -0.93 -1.61 116.57 118.79 1a87 h LYS 219 Ca -0.08 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 1a87 h LYS 219 Cb 0.86 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1a87 h LYS 219 CO 0.05 0.30 0.04 -0.91 -2.27 0.00 0.00 179.45 176.65 1a87 h ASN 220 N 0.46 0.15 -0.25 4.20 2.35 0.60 -2.69 115.58 120.41 1a87 h ASN 220 Ca 0.65 -0.18 -0.03 0.00 -0.55 0.00 0.00 56.30 56.20 1a87 h ASN 220 Cb 1.44 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.76 1a87 h ASN 220 CO -0.44 0.29 0.05 0.58 -1.65 0.00 0.00 177.43 176.27 1a87 h VAL 221 N 0.01 1.22 -0.86 2.81 2.07 -0.89 -2.73 116.25 117.88 1a87 h VAL 221 Ca 0.04 -0.71 0.18 0.00 0.82 0.00 0.00 66.70 67.02 1a87 h VAL 221 Cb 0.19 1.21 -0.11 0.00 -1.52 0.00 0.00 31.29 31.06 1a87 h VAL 221 CO -0.00 0.23 0.39 0.00 0.02 0.00 0.00 177.57 178.20 1a87 h ALA 222 N 0.87 1.31 -0.80 1.67 0.00 -1.37 0.71 119.26 121.65 1a87 h ALA 222 Ca 0.08 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1a87 h ALA 222 Cb 0.29 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1a87 h ALA 222 CO 0.00 -0.24 0.44 0.87 0.00 0.00 0.00 179.25 180.32 1a87 h LYS 223 N 0.48 1.12 -0.35 0.00 1.57 -1.19 0.13 116.57 118.32 1a87 h LYS 223 Ca 0.50 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 59.11 1a87 h LYS 223 Cb 0.85 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 1a87 h LYS 223 CO -0.46 0.83 0.07 1.05 -0.57 0.00 0.00 179.45 180.37 1a87 h GLU 224 N 1.12 0.57 -0.90 3.15 4.11 -0.69 -1.40 114.58 120.53 1a87 h GLU 224 Ca 0.28 -0.15 0.12 0.00 0.07 0.00 0.00 59.36 59.69 1a87 h GLU 224 Cb 0.03 -0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.13 1a87 h GLU 224 CO -0.05 0.64 0.52 0.28 0.07 0.00 0.00 179.01 180.48 1a87 h VAL 225 N 0.42 0.85 -0.94 -1.06 2.07 -0.33 0.22 116.25 117.48 1a87 h VAL 225 Ca 0.11 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.37 1a87 h VAL 225 Cb 0.33 -0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.02 1a87 h VAL 225 CO 0.00 0.15 0.62 0.00 0.02 0.00 0.00 177.57 178.36 1a87 h ALA 226 N 1.52 1.22 -0.30 1.67 0.00 -0.28 -1.38 119.26 121.71 1a87 h ALA 226 Ca 0.46 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.26 1a87 h ALA 226 Cb 0.51 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1a87 h ALA 226 CO -0.29 0.55 -0.04 -0.97 0.00 0.00 0.00 179.25 178.50 1a87 h ASN 227 N 1.24 0.55 -0.86 0.00 -1.24 0.38 -0.82 115.58 114.83 1a87 h ASN 227 Ca 0.36 -0.34 0.10 0.00 0.71 0.00 0.00 56.30 57.13 1a87 h ASN 227 Cb -0.08 -0.15 -0.08 0.00 0.73 0.00 0.00 38.32 38.74 1a87 h ASN 227 CO -0.10 0.76 0.51 0.44 -1.29 0.00 0.00 177.43 177.75 1a87 h ASP 228 N 0.33 0.73 -0.14 1.15 3.32 -0.28 0.53 116.42 122.07 1a87 h ASP 228 Ca 0.08 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 1a87 h ASP 228 Cb 0.50 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1a87 h ASP 228 CO 0.02 0.41 0.08 0.40 -1.72 0.00 0.00 179.24 178.43 1a87 h ILE 229 N 0.84 1.10 -0.85 0.35 2.04 -0.87 -2.26 117.51 117.85 1a87 h ILE 229 Ca 0.42 -0.29 0.13 0.00 1.00 0.00 0.00 64.86 66.12 1a87 h ILE 229 Cb 0.39 1.03 -0.06 0.00 -0.74 0.00 0.00 36.82 37.44 1a87 h ILE 229 CO -0.25 0.09 0.55 0.50 0.00 0.00 0.00 178.15 179.05 1a87 h LYS 230 N 0.12 0.67 -0.56 2.37 3.64 0.23 -2.61 116.57 120.43 1a87 h LYS 230 Ca 0.05 -0.04 -0.25 0.00 -1.27 0.00 0.00 60.65 59.14 1a87 h LYS 230 Cb 0.08 -0.15 -0.15 0.00 -0.41 0.00 0.00 32.23 31.60 1a87 h LYS 230 CO -0.01 0.44 0.17 0.09 -2.27 0.00 0.00 179.45 177.87 1a87 n ASN 231 N -4.54 3.28 -4.85 4.20 3.02 0.04 -4.76 115.26 111.66 1a87 n ASN 231 Ca 0.16 -3.57 -0.36 0.00 -0.03 0.00 0.00 54.58 50.78 1a87 n ASN 231 Cb 0.42 -0.69 -0.06 0.00 -0.61 0.00 0.00 39.78 38.84 1a87 n ASN 231 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1a87 s PHE 232 N -3.18 3.63 -0.08 3.10 2.19 -0.89 -5.02 117.98 117.74 1a87 s PHE 232 Ca 0.49 0.99 0.00 0.00 0.33 0.00 0.00 56.93 58.75 1a87 s PHE 232 Cb 0.42 -2.31 -0.03 0.00 -1.31 0.00 0.00 43.02 39.79 1a87 s PHE 232 CO 0.06 0.50 -0.07 -1.01 1.83 0.00 0.00 175.22 176.52 1a87 s HIS 233 N -1.37 2.93 -1.00 10.12 3.76 -1.26 -5.01 115.29 123.46 1a87 s HIS 233 Ca 0.34 -0.05 0.08 0.00 -0.15 0.00 0.00 55.06 55.28 1a87 s HIS 233 Cb -0.15 -1.74 0.34 0.00 1.11 0.00 0.00 32.58 32.14 1a87 s HIS 233 CO 0.18 0.26 1.26 0.41 -0.85 0.00 0.00 174.74 176.00 1a87 n GLY 234 N 2.42 -0.77 0.10 -2.22 0.00 -1.26 -2.82 105.19 100.64 1a87 n GLY 234 Ca -0.18 -0.03 0.01 0.00 0.00 0.00 0.00 46.02 45.82 1a87 n GLY 234 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1a87 n ARG 235 N -1.50 1.11 -0.48 1.61 0.00 -1.26 -3.45 116.66 112.68 1a87 n ARG 235 Ca 0.02 -0.16 0.02 0.00 -0.00 0.00 0.00 57.85 57.73 1a87 n ARG 235 Cb 0.09 -1.05 0.03 0.00 -0.00 0.00 0.00 32.46 31.53 1a87 n ARG 235 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1a87 n ASN 236 N -0.36 0.49 -4.73 2.89 0.23 -1.13 -5.07 115.26 107.59 1a87 n ASN 236 Ca 0.02 -2.21 -0.42 0.00 -0.53 0.00 0.00 54.58 51.43 1a87 n ASN 236 Cb 0.05 -0.25 -0.03 0.00 -2.08 0.00 0.00 39.78 37.47 1a87 n ASN 236 CO 0.00 0.00 0.00 -0.51 -0.93 0.00 0.00 177.26 175.82 1a87 s ILE 237 N -0.54 3.27 0.59 1.53 1.10 -1.22 -4.83 121.20 121.08 1a87 s ILE 237 Ca 0.08 0.97 -0.14 0.00 -0.51 0.00 0.00 60.65 61.05 1a87 s ILE 237 Cb 0.08 -3.62 -0.05 0.00 0.15 0.00 0.00 42.46 39.02 1a87 s ILE 237 CO -0.01 0.11 1.02 -0.13 -2.11 0.00 0.00 174.94 173.82 1a87 s ARG 238 N 0.56 3.63 0.65 3.50 0.52 -0.58 -5.05 118.95 122.18 1a87 s ARG 238 Ca 0.61 0.90 -0.13 0.00 -0.52 0.00 0.00 55.73 56.59 1a87 s ARG 238 Cb -0.37 -2.09 -0.01 0.00 0.52 0.00 0.00 34.95 33.01 1a87 s ARG 238 CO 0.34 -0.54 1.06 -1.54 0.02 0.00 0.00 175.30 174.63 1a87 s SER 239 N -3.57 5.54 0.11 0.23 1.04 -1.26 -4.80 113.70 110.98 1a87 s SER 239 Ca 0.58 1.72 -0.30 0.00 0.48 0.00 0.00 55.95 58.43 1a87 s SER 239 Cb -0.11 -2.51 -0.10 0.00 0.10 0.00 0.00 66.02 63.39 1a87 s SER 239 CO 0.44 -1.34 1.61 0.22 0.98 0.00 0.00 173.24 175.15 1a87 h TYR 240 N -0.18 -0.96 -0.47 5.02 5.03 -1.96 0.36 116.97 123.81 1a87 h TYR 240 Ca -0.45 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 60.88 1a87 h TYR 240 Cb 1.22 0.40 -0.02 0.00 1.55 0.00 0.00 36.73 39.87 1a87 h TYR 240 CO 0.60 -0.47 0.29 -0.91 -1.32 0.00 0.00 178.16 176.36 1a87 h ASN 241 N -0.61 0.55 0.41 -2.11 2.35 -1.99 0.21 115.58 114.39 1a87 h ASN 241 Ca 0.02 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 1a87 h ASN 241 Cb 0.62 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.86 1a87 h ASN 241 CO -0.17 0.42 -0.20 -0.33 -1.65 0.00 0.00 177.43 175.50 1a87 h GLU 242 N 0.65 -0.53 0.30 0.81 5.08 -1.64 -2.42 114.58 116.84 1a87 h GLU 242 Ca 0.17 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1a87 h GLU 242 Cb -0.04 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1a87 h GLU 242 CO -0.03 -0.35 -0.15 0.00 -1.00 0.00 0.00 179.01 177.48 1a87 h ALA 243 N 0.04 -0.41 -0.93 3.43 0.00 0.24 -3.01 119.26 118.63 1a87 h ALA 243 Ca -0.06 -0.12 0.27 0.00 0.00 0.00 0.00 54.91 55.01 1a87 h ALA 243 Cb 0.42 0.16 -0.14 0.00 0.00 0.00 0.00 17.79 18.23 1a87 h ALA 243 CO 0.09 -0.69 0.37 1.98 0.00 0.00 0.00 179.25 181.01 1a87 h MET 244 N -0.49 0.26 0.25 0.00 -1.53 -0.57 0.62 114.93 113.47 1a87 h MET 244 Ca -0.04 -0.02 0.00 0.00 -3.44 0.00 0.00 59.70 56.21 1a87 h MET 244 Cb 0.37 -0.06 -0.02 0.00 -0.55 0.00 0.00 31.60 31.33 1a87 h MET 244 CO 0.07 0.17 -0.28 0.00 0.14 0.00 0.00 176.91 177.01 1a87 h ALA 245 N 1.81 -0.57 -0.53 0.39 0.00 -1.30 -1.65 119.26 117.42 1a87 h ALA 245 Ca 0.62 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.52 1a87 h ALA 245 Cb 1.32 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 19.47 1a87 h ALA 245 CO -0.63 -0.86 0.20 0.77 0.00 0.00 0.00 179.25 178.74 1a87 h SER 246 N -0.58 0.23 -0.82 0.00 0.02 -0.89 -1.64 113.55 109.87 1a87 h SER 246 Ca -0.00 0.06 0.11 0.00 -0.84 0.00 0.00 61.79 61.12 1a87 h SER 246 Cb 0.55 0.03 -0.08 0.00 0.14 0.00 0.00 62.40 63.04 1a87 h SER 246 CO -0.08 0.15 0.44 0.25 -1.14 0.00 0.00 176.83 176.45 1a87 h LEU 247 N 0.39 0.59 -0.66 5.07 5.85 -0.81 -1.60 115.31 124.15 1a87 h LEU 247 Ca 0.25 0.07 0.14 0.00 0.84 0.00 0.00 57.88 59.18 1a87 h LEU 247 Cb 0.26 -0.04 -0.10 0.00 0.37 0.00 0.00 40.66 41.15 1a87 h LEU 247 CO -0.24 0.30 0.10 0.78 -0.34 0.00 0.00 178.44 179.04 1a87 h ASN 248 N 0.70 -0.11 -0.61 1.25 -0.26 -0.34 -0.11 115.58 116.11 1a87 h ASN 248 Ca 0.42 0.14 0.12 0.00 -0.56 0.00 0.00 56.30 56.42 1a87 h ASN 248 Cb 0.48 0.22 -0.12 0.00 -1.06 0.00 0.00 38.32 37.84 1a87 h ASN 248 CO -0.30 -0.06 -0.20 0.11 -1.06 0.00 0.00 177.43 175.93 1a87 h LYS 249 N 0.21 -0.04 0.50 0.81 1.57 -1.20 2.31 116.57 120.72 1a87 h LYS 249 Ca 0.36 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.12 1a87 h LYS 249 Cb 0.58 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1a87 h LYS 249 CO -0.50 -0.03 -0.24 0.28 -0.57 0.00 0.00 179.45 178.40 1a87 h VAL 250 N -0.04 0.49 -0.93 0.50 2.07 -1.18 -2.26 116.25 114.90 1a87 h VAL 250 Ca 0.29 -0.19 0.16 0.00 0.82 0.00 0.00 66.70 67.78 1a87 h VAL 250 Cb 0.49 0.57 -0.10 0.00 -1.52 0.00 0.00 31.29 30.73 1a87 h VAL 250 CO -0.65 0.03 0.53 -0.07 0.02 0.00 0.00 177.57 177.44 1a87 h LEU 251 N -0.79 0.69 0.00 2.57 4.07 0.23 0.15 115.31 122.24 1a87 h LEU 251 Ca -0.07 0.09 0.00 0.00 0.08 0.00 0.00 57.88 57.98 1a87 h LEU 251 Cb 0.56 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.27 1a87 h LEU 251 CO 0.11 0.28 0.00 0.00 -1.08 0.00 0.00 178.44 177.75 1a87 n ALA 252 N -2.38 2.22 -2.12 1.53 0.00 0.77 -4.77 120.51 115.76 1a87 n ALA 252 Ca 0.20 -0.11 -0.43 0.00 0.00 0.00 0.00 53.44 53.10 1a87 n ALA 252 Cb 0.48 -1.40 -0.02 0.00 0.00 0.00 0.00 19.45 18.51 1a87 n ALA 252 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1a87 s ASN 253 N -2.69 6.18 0.29 0.00 3.84 0.52 -4.90 114.94 118.19 1a87 s ASN 253 Ca 0.20 1.33 0.01 0.00 0.21 0.00 0.00 52.86 54.61 1a87 s ASN 253 Cb 0.16 -2.53 0.70 0.00 -0.55 0.00 0.00 41.25 39.03 1a87 s ASN 253 CO 0.40 -1.47 1.50 -2.65 -2.79 0.00 0.00 177.10 172.09 1a87 n PRO 254 N 8.05 -0.08 0.21 0.43 -0.02 -1.26 0.62 135.00 142.95 1a87 n PRO 254 Ca 0.20 1.44 0.06 0.00 -2.02 0.00 0.00 63.50 63.18 1a87 n PRO 254 Cb 0.46 -2.27 0.48 0.00 -0.02 0.00 0.00 33.50 32.15 1a87 n PRO 254 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1a87 h LYS 255 N 0.00 0.00 -4.67 -0.52 -0.00 -1.95 -3.36 116.57 106.07 1a87 h LYS 255 Ca 0.57 0.00 -0.61 0.00 -0.00 0.00 0.00 60.65 60.60 1a87 h LYS 255 Cb 1.14 0.00 0.09 0.00 -0.00 0.00 0.00 32.23 33.46 1a87 h LYS 255 CO -0.91 0.27 1.90 -1.33 -0.00 0.00 0.00 179.45 179.39 1a87 n MET 256 N -3.93 0.87 -3.84 0.07 2.81 0.20 -4.87 117.12 108.43 1a87 n MET 256 Ca -0.02 -1.47 -0.21 0.00 -1.81 0.00 0.00 57.70 54.20 1a87 n MET 256 Cb 0.35 -2.72 -0.03 0.00 -0.71 0.00 0.00 33.22 30.11 1a87 n MET 256 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1a87 s LYS 257 N 5.81 2.98 -0.31 0.03 0.00 -1.26 -4.88 119.74 122.11 1a87 s LYS 257 Ca 0.61 -1.09 0.01 0.00 0.00 0.00 0.00 55.97 55.51 1a87 s LYS 257 Cb 0.14 -2.64 0.15 0.00 0.00 0.00 0.00 37.83 35.48 1a87 s LYS 257 CO 0.21 0.22 0.35 0.08 0.00 0.00 0.00 175.35 176.21 1a87 s VAL 258 N -2.18 -0.46 0.30 1.79 1.01 -1.26 -5.01 120.40 114.59 1a87 s VAL 258 Ca 0.39 -0.54 -0.28 0.00 0.00 0.00 0.00 61.98 61.55 1a87 s VAL 258 Cb -0.08 -0.91 -0.09 0.00 0.00 0.00 0.00 36.38 35.30 1a87 s VAL 258 CO 0.28 -0.44 1.08 0.54 0.00 0.00 0.00 175.10 176.55 1a87 s ASN 259 N 2.21 7.19 0.17 3.32 2.20 -1.26 -4.68 114.94 124.09 1a87 s ASN 259 Ca 0.11 2.20 -0.14 0.00 -0.94 0.00 0.00 52.86 54.09 1a87 s ASN 259 Cb -0.14 -2.62 0.16 0.00 -2.00 0.00 0.00 41.25 36.65 1a87 s ASN 259 CO -0.26 -0.19 1.15 0.29 -2.94 0.00 0.00 177.10 175.15 1a87 n LYS 260 N 0.96 -0.19 -0.30 3.55 4.01 -1.26 0.30 118.16 125.23 1a87 n LYS 260 Ca 0.00 1.14 0.13 0.00 -0.51 0.00 0.00 58.31 59.07 1a87 n LYS 260 Cb 0.46 -1.69 0.30 0.00 -0.51 0.00 0.00 35.03 33.59 1a87 n LYS 260 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1a87 h SER 261 N 0.00 0.07 0.03 4.39 4.64 -1.99 1.48 113.55 122.18 1a87 h SER 261 Ca 0.24 0.19 -0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1a87 h SER 261 Cb 0.43 0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1a87 h SER 261 CO -0.73 -0.13 -0.01 0.44 -0.87 0.00 0.00 176.83 175.52 1a87 h ASP 262 N 0.24 -0.03 -0.57 4.97 3.32 -0.53 -3.05 116.42 120.78 1a87 h ASP 262 Ca 0.56 -0.68 0.11 0.00 0.02 0.00 0.00 57.03 57.04 1a87 h ASP 262 Cb 1.13 0.01 -0.09 0.00 0.22 0.00 0.00 39.33 40.60 1a87 h ASP 262 CO -0.63 0.70 0.06 0.50 -1.72 0.00 0.00 179.24 178.15 1a87 h LYS 263 N -0.81 0.18 -0.08 3.56 3.64 0.17 -1.09 116.57 122.14 1a87 h LYS 263 Ca -0.00 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1a87 h LYS 263 Cb 0.71 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 1a87 h LYS 263 CO 0.01 0.12 -0.18 -0.44 -2.27 0.00 0.00 179.45 176.68 1a87 h ASP 264 N 0.18 0.12 0.24 4.20 3.32 0.19 -1.48 116.42 123.19 1a87 h ASP 264 Ca 0.30 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 1a87 h ASP 264 Cb 0.45 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1a87 h ASP 264 CO -0.43 0.32 -0.12 0.00 -1.72 0.00 0.00 179.24 177.29 1a87 h ALA 265 N 1.70 -0.32 -0.83 3.45 0.00 -1.12 -0.35 119.26 121.78 1a87 h ALA 265 Ca 0.02 -0.20 0.20 0.00 0.00 0.00 0.00 54.91 54.93 1a87 h ALA 265 Cb 0.40 0.13 -0.12 0.00 0.00 0.00 0.00 17.79 18.19 1a87 h ALA 265 CO 0.03 -0.42 0.26 0.82 0.00 0.00 0.00 179.25 179.94 1a87 h ILE 266 N -0.84 0.45 -0.06 0.00 2.04 -1.15 0.61 117.51 118.55 1a87 h ILE 266 Ca -0.03 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 1a87 h ILE 266 Cb 0.51 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1a87 h ILE 266 CO 0.05 0.05 0.00 0.58 0.00 0.00 0.00 178.15 178.84 1a87 h VAL 267 N 0.30 1.25 -0.73 1.67 2.07 -1.26 -2.20 116.25 117.33 1a87 h VAL 267 Ca 0.50 -0.76 0.11 0.00 0.82 0.00 0.00 66.70 67.37 1a87 h VAL 267 Cb 0.93 1.63 -0.05 0.00 -1.52 0.00 0.00 31.29 32.28 1a87 h VAL 267 CO -0.56 0.21 0.48 -1.13 0.02 0.00 0.00 177.57 176.60 1a87 h ASN 268 N -0.17 0.51 0.32 0.57 -0.73 0.14 -1.19 115.58 115.03 1a87 h ASN 268 Ca 0.02 0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.19 1a87 h ASN 268 Cb 0.33 -0.09 -0.00 0.00 0.27 0.00 0.00 38.32 38.83 1a87 h ASN 268 CO 0.00 0.30 -0.17 0.00 -0.37 0.00 0.00 177.43 177.19 1a87 h ALA 269 N 1.64 -0.45 -0.46 1.57 0.00 0.37 -1.63 119.26 120.30 1a87 h ALA 269 Ca 0.35 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.25 1a87 h ALA 269 Cb 0.58 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.49 1a87 h ALA 269 CO -0.12 -0.76 -0.03 -1.49 0.00 0.00 0.00 179.25 176.85 1a87 h TRP 270 N -0.46 -0.08 -0.32 0.00 4.06 -0.64 -0.55 115.95 117.96 1a87 h TRP 270 Ca -0.04 0.04 -0.00 0.00 2.06 0.00 0.00 58.89 60.95 1a87 h TRP 270 Cb 0.37 0.11 -0.02 0.00 -1.00 0.00 0.00 29.16 28.62 1a87 h TRP 270 CO -0.07 -0.13 0.19 0.87 -3.56 0.00 0.00 178.44 175.74 1a87 h LYS 271 N 0.08 0.43 0.00 0.49 1.57 -1.10 -0.81 116.57 117.22 1a87 h LYS 271 Ca 0.23 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1a87 h LYS 271 Cb 0.34 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1a87 h LYS 271 CO -0.40 0.30 0.09 0.37 -0.57 0.00 0.00 179.45 179.24 1a87 h GLN 272 N 0.44 0.00 -6.76 3.15 5.75 -0.10 -3.43 115.11 114.16 1a87 h GLN 272 Ca 0.12 0.00 -0.51 0.00 -0.15 0.00 0.00 58.65 58.11 1a87 h GLN 272 Cb -0.01 0.00 0.02 0.00 1.07 0.00 0.00 27.48 28.55 1a87 h GLN 272 CO -0.02 0.00 0.49 0.08 -2.65 0.00 0.00 178.83 176.73 1a87 s VAL 273 N -3.66 3.54 -0.35 2.39 1.01 -0.31 -5.03 120.40 117.99 1a87 s VAL 273 Ca -0.03 1.46 -0.03 0.00 0.00 0.00 0.00 61.98 63.39 1a87 s VAL 273 Cb 0.07 -3.93 0.07 0.00 0.00 0.00 0.00 36.38 32.59 1a87 s VAL 273 CO 0.23 0.31 0.10 0.21 0.00 0.00 0.00 175.10 175.95 1a87 s ASN 274 N -0.55 5.10 0.23 3.32 3.84 -1.26 -5.00 114.94 120.62 1a87 s ASN 274 Ca 0.47 -1.57 -0.12 0.00 0.21 0.00 0.00 52.86 51.85 1a87 s ASN 274 Cb -0.32 -1.78 0.31 0.00 -0.55 0.00 0.00 41.25 38.91 1a87 s ASN 274 CO 0.40 -0.39 1.62 0.00 -2.79 0.00 0.00 177.10 175.94 1a87 h ALA 275 N 8.05 0.52 0.13 1.71 0.00 -1.95 -0.31 119.26 127.40 1a87 h ALA 275 Ca -0.18 0.27 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1a87 h ALA 275 Cb 1.06 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 19.32 1a87 h ALA 275 CO 0.61 -0.42 -0.50 0.87 0.00 0.00 0.00 179.25 179.81 1a87 h LYS 276 N 0.01 -0.71 -0.67 0.00 1.57 -1.94 1.01 116.57 115.84 1a87 h LYS 276 Ca 0.35 0.05 0.09 0.00 -1.87 0.00 0.00 60.65 59.26 1a87 h LYS 276 Cb 0.55 0.16 -0.07 0.00 0.08 0.00 0.00 32.23 32.95 1a87 h LYS 276 CO -0.72 -0.47 0.33 -0.44 -0.57 0.00 0.00 179.45 177.58 1a87 h ASP 277 N -0.73 0.43 0.32 0.86 3.32 -1.80 0.73 116.42 119.54 1a87 h ASP 277 Ca 0.00 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1a87 h ASP 277 Cb 0.74 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.25 1a87 h ASP 277 CO -0.27 0.25 -0.46 0.24 -1.72 0.00 0.00 179.24 177.28 1a87 h MET 278 N 0.57 -0.80 -0.92 3.56 2.86 -0.21 0.24 114.93 120.23 1a87 h MET 278 Ca 0.33 0.05 0.25 0.00 -2.06 0.00 0.00 59.70 58.27 1a87 h MET 278 Cb 0.33 0.18 -0.14 0.00 0.06 0.00 0.00 31.60 32.03 1a87 h MET 278 CO -0.26 -0.53 0.38 0.00 1.06 0.00 0.00 176.91 177.56 1a87 h ALA 279 N -0.52 1.50 -0.11 6.32 0.00 0.21 0.97 119.26 127.64 1a87 h ALA 279 Ca -0.02 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1a87 h ALA 279 Cb 0.77 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1a87 h ALA 279 CO -0.15 -0.45 -0.09 -0.91 0.00 0.00 0.00 179.25 177.66 1a87 h ASN 280 N 0.31 0.27 -0.17 0.00 -0.26 -0.09 0.25 115.58 115.88 1a87 h ASN 280 Ca 0.60 -0.46 0.05 0.00 -0.56 0.00 0.00 56.30 55.93 1a87 h ASN 280 Cb 1.23 -0.07 -0.07 0.00 -1.06 0.00 0.00 38.32 38.35 1a87 h ASN 280 CO -0.60 0.67 -0.40 0.50 -1.06 0.00 0.00 177.43 176.54 1a87 h LYS 281 N -0.13 -0.43 -0.27 0.81 3.64 0.30 0.11 116.57 120.61 1a87 h LYS 281 Ca 0.02 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.46 1a87 h LYS 281 Cb 0.58 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.47 1a87 h LYS 281 CO 0.02 -0.29 0.07 0.82 -2.27 0.00 0.00 179.45 177.80 1a87 h ILE 282 N -0.45 0.90 -0.92 2.00 1.08 0.79 -2.06 117.51 118.84 1a87 h ILE 282 Ca 0.09 -0.06 0.15 0.00 -0.39 0.00 0.00 64.86 64.65 1a87 h ILE 282 Cb 0.61 0.71 -0.08 0.00 -3.07 0.00 0.00 36.82 34.99 1a87 h ILE 282 CO -0.41 0.03 0.59 1.23 -0.69 0.00 0.00 178.15 178.90 1a87 h GLY 283 N 0.17 1.30 0.39 5.37 0.00 0.46 -0.13 103.07 110.63 1a87 h GLY 283 Ca 0.12 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1a87 h GLY 283 CO -0.15 0.08 0.00 0.70 0.00 0.00 0.00 176.54 177.18 1a87 n ASN 284 N -4.58 0.00 0.13 0.19 4.13 0.30 -2.72 115.26 112.72 1a87 n ASN 284 Ca 0.18 -1.26 0.02 0.00 1.68 0.00 0.00 54.58 55.20 1a87 n ASN 284 Cb 0.47 0.00 0.01 0.00 -1.54 0.00 0.00 39.78 38.72 1a87 n ASN 284 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1a87 h LEU 285 N 0.00 0.00 0.00 3.41 3.38 -1.05 -3.49 115.31 117.56 1a87 h LEU 285 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1a87 h LEU 285 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1a87 h LEU 285 CO 0.00 0.54 0.00 0.61 0.09 0.00 0.00 178.44 179.68 1a87 n GLY 286 N 1.24 2.94 0.36 0.83 0.00 -1.10 -4.96 105.19 104.50 1a87 n GLY 286 Ca 0.02 -1.17 0.09 0.00 0.00 0.00 0.00 46.02 44.96 1a87 n GLY 286 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a87 h LYS 287 N 0.00 0.85 -0.10 1.61 6.56 -1.95 -0.70 116.57 122.84 1a87 h LYS 287 Ca 0.00 -0.05 0.03 0.00 -1.06 0.00 0.00 60.65 59.57 1a87 h LYS 287 Cb 0.00 -0.19 -0.00 0.00 -0.57 0.00 0.00 32.23 31.46 1a87 h LYS 287 CO 0.00 0.56 0.12 0.00 -2.06 0.00 0.00 179.45 178.08 1a87 h ALA 288 N 1.57 1.66 -0.01 3.86 0.00 -1.93 0.57 119.26 124.99 1a87 h ALA 288 Ca 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1a87 h ALA 288 Cb 0.62 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1a87 h ALA 288 CO -0.27 -0.18 -0.30 1.19 0.00 0.00 0.00 179.25 179.69 1a87 n PHE 289 N -3.78 0.00 -1.71 0.00 3.72 -0.27 -4.59 117.46 110.83 1a87 n PHE 289 Ca -0.00 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.98 1a87 n PHE 289 Cb 0.23 -0.17 -0.02 0.00 -0.94 0.00 0.00 39.48 38.57 1a87 n PHE 289 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1a87 n LYS 290 N -0.93 2.40 -3.10 -1.08 4.01 0.19 -4.78 118.16 114.86 1a87 n LYS 290 Ca 0.10 -2.47 -0.19 0.00 -0.51 0.00 0.00 58.31 55.25 1a87 n LYS 290 Cb 0.34 -3.25 0.01 0.00 -0.51 0.00 0.00 35.03 31.62 1a87 n LYS 290 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 1a87 s VAL 291 N 4.54 3.40 0.39 -0.18 -7.23 -1.26 -4.85 120.40 115.22 1a87 s VAL 291 Ca 0.53 -0.90 -0.25 0.00 -1.81 0.00 0.00 61.98 59.55 1a87 s VAL 291 Cb 0.11 -3.18 -0.09 0.00 0.56 0.00 0.00 36.38 33.79 1a87 s VAL 291 CO 0.02 -0.08 1.15 0.00 -0.31 0.00 0.00 175.10 175.87 1a87 s ALA 292 N -2.37 3.16 -1.48 1.32 0.00 -1.26 -3.57 121.76 117.57 1a87 s ALA 292 Ca 0.51 0.93 -0.09 0.00 0.00 0.00 0.00 51.96 53.31 1a87 s ALA 292 Cb -0.10 -3.36 0.06 0.00 0.00 0.00 0.00 23.12 19.72 1a87 s ALA 292 CO 0.34 -0.47 0.85 -0.25 0.00 0.00 0.00 175.76 176.23 1a87 n ASP 293 N 0.12 -3.37 -0.03 0.00 8.00 -1.26 -4.87 116.55 115.14 1a87 n ASP 293 Ca 0.04 -0.82 -0.11 0.00 0.71 0.00 0.00 54.79 54.60 1a87 n ASP 293 Cb 0.47 -3.78 -0.05 0.00 -0.02 0.00 0.00 41.12 37.73 1a87 n ASP 293 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1a87 h LEU 294 N -1.97 -1.23 -2.02 0.64 6.46 -1.95 -1.88 115.31 113.36 1a87 h LEU 294 Ca -0.59 0.17 0.05 0.00 -0.12 0.00 0.00 57.88 57.40 1a87 h LEU 294 Cb 1.37 0.52 -0.01 0.00 -0.73 0.00 0.00 40.66 41.81 1a87 h LEU 294 CO 0.65 -0.39 0.14 0.00 -0.62 0.00 0.00 178.44 178.21 1a87 h ALA 295 N 0.30 2.15 -0.02 1.25 0.00 -1.89 0.16 119.26 121.21 1a87 h ALA 295 Ca 0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1a87 h ALA 295 Cb 0.59 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1a87 h ALA 295 CO -0.42 -0.23 -0.02 0.82 0.00 0.00 0.00 179.25 179.40 1a87 h ILE 296 N 0.00 1.35 -0.52 0.00 1.08 -1.73 -0.84 117.51 116.85 1a87 h ILE 296 Ca 0.09 -1.08 0.10 0.00 -0.39 0.00 0.00 64.86 63.58 1a87 h ILE 296 Cb 0.36 2.03 -0.08 0.00 -3.07 0.00 0.00 36.82 36.06 1a87 h ILE 296 CO -0.00 0.29 0.06 0.11 -0.69 0.00 0.00 178.15 177.92 1a87 h LYS 297 N -0.38 0.18 0.37 2.37 1.57 -0.58 0.19 116.57 120.30 1a87 h LYS 297 Ca 0.00 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1a87 h LYS 297 Cb 0.47 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 1a87 h LYS 297 CO 0.00 0.12 -0.41 0.28 -0.57 0.00 0.00 179.45 178.88 1a87 h VAL 298 N 0.18 0.18 -0.74 0.50 2.07 -0.66 -1.72 116.25 116.06 1a87 h VAL 298 Ca 0.26 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.95 1a87 h VAL 298 Cb 0.39 0.18 -0.11 0.00 -1.52 0.00 0.00 31.29 30.22 1a87 h VAL 298 CO -0.38 0.00 0.17 -0.08 0.02 0.00 0.00 177.57 177.29 1a87 h GLU 299 N -0.81 0.24 -0.17 1.57 4.81 -0.06 0.12 114.58 120.29 1a87 h GLU 299 Ca -0.03 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 1a87 h GLU 299 Cb 0.73 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 1a87 h GLU 299 CO -0.09 0.16 -0.14 0.87 -0.73 0.00 0.00 179.01 179.09 1a87 h LYS 300 N 0.25 0.27 -0.79 1.92 1.79 -0.33 0.09 116.57 119.77 1a87 h LYS 300 Ca 0.42 -0.07 -0.05 0.00 -2.18 0.00 0.00 60.65 58.77 1a87 h LYS 300 Cb 0.72 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.30 1a87 h LYS 300 CO -0.53 0.42 0.29 0.82 -1.08 0.00 0.00 179.45 179.38 1a87 h ILE 301 N 0.26 1.26 0.36 1.86 1.08 0.14 -1.44 117.51 121.04 1a87 h ILE 301 Ca 0.05 -0.86 -0.02 0.00 -0.39 0.00 0.00 64.86 63.65 1a87 h ILE 301 Cb 0.41 0.34 0.00 0.00 -3.07 0.00 0.00 36.82 34.50 1a87 h ILE 301 CO 0.02 0.35 -0.17 -0.09 -0.69 0.00 0.00 178.15 177.57 1a87 h ARG 302 N 1.16 -0.47 -0.47 2.37 2.43 -0.55 0.54 114.38 119.39 1a87 h ARG 302 Ca 0.26 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.51 1a87 h ARG 302 Cb 0.25 0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.86 1a87 h ARG 302 CO -0.02 -0.16 0.20 1.05 -1.51 0.00 0.00 179.97 179.53 1a87 h GLU 303 N -0.85 0.38 0.00 0.20 4.11 -0.95 0.60 114.58 118.07 1a87 h GLU 303 Ca -0.05 -0.02 -0.11 0.00 0.07 0.00 0.00 59.36 59.25 1a87 h GLU 303 Cb 0.53 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1a87 h GLU 303 CO 0.08 0.25 -0.51 0.87 0.07 0.00 0.00 179.01 179.77 1a87 h LYS 304 N 0.39 0.00 -0.28 1.06 1.57 -1.33 -1.07 116.57 116.91 1a87 h LYS 304 Ca 0.21 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.96 1a87 h LYS 304 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1a87 h LYS 304 CO -0.19 0.51 0.05 1.03 -0.57 0.00 0.00 179.45 180.28 1a87 h SER 305 N 0.00 0.43 0.83 0.86 0.87 0.02 -0.08 113.55 116.48 1a87 h SER 305 Ca -0.01 -0.25 -0.04 0.00 -1.23 0.00 0.00 61.79 60.27 1a87 h SER 305 Cb 0.93 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 1a87 h SER 305 CO 0.07 0.57 -0.47 0.40 -0.53 0.00 0.00 176.83 176.88 1a87 h ILE 306 N 0.28 0.06 -1.01 2.23 2.04 -0.66 -2.63 117.51 117.82 1a87 h ILE 306 Ca 0.09 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.18 1a87 h ILE 306 Cb 0.32 0.06 -0.10 0.00 -0.74 0.00 0.00 36.82 36.36 1a87 h ILE 306 CO 0.00 0.00 0.64 -0.08 0.00 0.00 0.00 178.15 178.71 1a87 h GLU 307 N -1.20 0.49 0.13 2.37 4.81 -1.12 -0.61 114.58 119.44 1a87 h GLU 307 Ca -0.11 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.10 1a87 h GLU 307 Cb 0.95 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 1a87 h GLU 307 CO 0.14 0.32 -0.20 0.78 -0.73 0.00 0.00 179.01 179.32 1a87 h GLY 308 N 0.50 -0.38 -0.14 1.92 0.00 -0.65 -2.33 103.07 101.99 1a87 h GLY 308 Ca 0.58 0.23 0.04 0.00 0.00 0.00 0.00 47.33 48.18 1a87 h GLY 308 CO -0.32 -0.19 -0.51 -0.97 0.00 0.00 0.00 176.54 174.55 1a87 h TYR 309 N -0.39 -1.52 0.00 5.60 0.05 -0.83 1.12 116.97 121.00 1a87 h TYR 309 Ca 0.02 0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.86 1a87 h TYR 309 Cb 0.40 0.69 0.00 0.00 1.01 0.00 0.00 36.73 38.83 1a87 h TYR 309 CO -0.18 -0.52 0.00 0.27 -1.05 0.00 0.00 178.16 176.67 1a87 n ASN 310 N -5.43 0.17 0.00 3.88 2.04 -1.04 -3.88 115.26 110.99 1a87 n ASN 310 Ca -0.05 -1.94 0.00 0.00 -0.44 0.00 0.00 54.58 52.15 1a87 n ASN 310 Cb 0.37 -0.08 0.00 0.00 -2.53 0.00 0.00 39.78 37.54 1a87 n ASN 310 CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 1a87 n THR 311 N -0.41 0.00 -0.70 5.53 -2.24 -0.51 -4.99 114.28 110.96 1a87 n THR 311 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1a87 n THR 311 Cb 0.04 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 1a87 n THR 311 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a87 n GLY 312 N 0.00 1.09 3.58 3.38 0.00 0.37 -4.95 105.19 108.66 1a87 n GLY 312 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1a87 n GLY 312 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1a87 s ASN 313 N -2.93 6.43 0.00 1.61 2.47 -1.23 -4.86 114.94 116.43 1a87 s ASN 313 Ca 0.00 0.25 0.11 0.00 0.42 0.00 0.00 52.86 53.64 1a87 s ASN 313 Cb 0.00 -2.31 -0.07 0.00 -1.45 0.00 0.00 41.25 37.41 1a87 s ASN 313 CO 0.00 -0.51 0.53 0.79 -3.72 0.00 0.00 177.10 174.19 1a87 n TRP 314 N 5.89 0.00 -0.14 0.43 7.02 -1.26 -3.74 117.44 125.64 1a87 n TRP 314 Ca -0.02 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.41 1a87 n TRP 314 Cb 0.49 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.39 1a87 n TRP 314 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 1a87 h GLY 315 N 2.47 0.01 -0.12 6.99 0.00 -1.98 -1.19 103.07 109.25 1a87 h GLY 315 Ca 0.00 0.32 0.22 0.00 0.00 0.00 0.00 47.33 47.88 1a87 h GLY 315 CO 0.00 -0.21 0.50 -2.55 0.00 0.00 0.00 176.54 174.28 1a87 h PRO 316 N -0.16 0.51 0.61 4.80 0.11 -1.95 0.51 132.00 136.43 1a87 h PRO 316 Ca 0.21 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.26 1a87 h PRO 316 Cb 0.49 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 31.49 1a87 h PRO 316 CO -0.56 0.34 -0.29 1.25 -0.21 0.00 0.00 178.00 178.53 1a87 h LEU 317 N 0.52 -0.69 -0.86 2.35 5.85 -1.52 0.39 115.31 121.35 1a87 h LEU 317 Ca 0.59 0.02 0.15 0.00 0.84 0.00 0.00 57.88 59.48 1a87 h LEU 317 Cb 1.09 0.18 -0.09 0.00 0.37 0.00 0.00 40.66 42.20 1a87 h LEU 317 CO -0.48 -0.47 0.45 -0.07 -0.34 0.00 0.00 178.44 177.53 1a87 h LEU 318 N -0.86 0.56 -0.99 2.25 3.38 -1.03 0.34 115.31 118.97 1a87 h LEU 318 Ca -0.08 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1a87 h LEU 318 Cb 0.63 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 1a87 h LEU 318 CO 0.14 0.24 0.54 0.25 0.09 0.00 0.00 178.44 179.69 1a87 h LEU 319 N 0.65 1.09 -0.07 1.67 5.85 0.14 -1.62 115.31 123.02 1a87 h LEU 319 Ca 0.47 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 59.13 1a87 h LEU 319 Cb 0.65 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1a87 h LEU 319 CO -0.36 0.84 -0.00 -0.08 -0.34 0.00 0.00 178.44 178.51 1a87 h GLU 320 N 1.25 0.02 -0.02 1.25 4.57 0.13 0.16 114.58 121.93 1a87 h GLU 320 Ca 0.32 -0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.53 1a87 h GLU 320 Cb -0.04 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.51 1a87 h GLU 320 CO -0.06 0.01 -0.14 0.28 -1.18 0.00 0.00 179.01 177.92 1a87 h VAL 321 N 0.02 0.64 -0.91 0.32 2.07 -1.17 -0.76 116.25 116.46 1a87 h VAL 321 Ca 0.03 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.68 1a87 h VAL 321 Cb 0.04 0.64 -0.07 0.00 -1.52 0.00 0.00 31.29 30.38 1a87 h VAL 321 CO -0.06 0.00 0.58 -0.33 0.02 0.00 0.00 177.57 177.79 1a87 h GLU 322 N -0.23 0.75 0.03 1.57 4.39 -1.01 -1.46 114.58 118.62 1a87 h GLU 322 Ca 0.06 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.73 1a87 h GLU 322 Cb 0.30 -0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 28.73 1a87 h GLU 322 CO -0.16 0.50 -0.49 0.66 -1.16 0.00 0.00 179.01 178.36 1a87 h SER 323 N 0.77 -1.49 -0.95 1.42 4.64 0.75 -2.21 113.55 116.48 1a87 h SER 323 Ca 0.45 0.17 0.21 0.00 -0.47 0.00 0.00 61.79 62.15 1a87 h SER 323 Cb 0.62 0.57 -0.18 0.00 -0.31 0.00 0.00 62.40 63.11 1a87 h SER 323 CO -0.21 -0.51 -0.15 -0.50 -0.87 0.00 0.00 176.83 174.59 1a87 h TRP 324 N -0.66 -0.35 0.15 4.77 6.55 -0.51 -0.66 115.95 125.24 1a87 h TRP 324 Ca 0.02 0.08 -0.01 0.00 0.95 0.00 0.00 58.89 59.93 1a87 h TRP 324 Cb 0.71 0.30 0.00 0.00 -0.86 0.00 0.00 29.16 29.32 1a87 h TRP 324 CO -0.46 -0.40 -0.07 0.82 -1.05 0.00 0.00 178.44 177.27 1a87 h ILE 325 N 0.01 0.91 -0.12 1.49 2.04 -1.32 -2.04 117.51 118.48 1a87 h ILE 325 Ca 0.49 -0.27 0.04 0.00 1.00 0.00 0.00 64.86 66.11 1a87 h ILE 325 Cb 0.84 1.08 -0.00 0.00 -0.74 0.00 0.00 36.82 38.00 1a87 h ILE 325 CO -0.94 0.07 0.09 -0.29 0.00 0.00 0.00 178.15 177.08 1a87 h ILE 326 N -0.34 0.86 -0.11 -0.67 -0.00 -0.60 -0.65 117.51 116.00 1a87 h ILE 326 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.84 1a87 h ILE 326 Cb 0.26 0.93 0.00 0.00 -0.00 0.00 0.00 36.82 38.02 1a87 h ILE 326 CO 0.03 0.00 0.00 0.61 -0.00 0.00 0.00 178.15 178.79 1a87 n GLY 327 N -1.53 -0.46 0.00 8.18 0.00 -0.49 -2.15 105.19 108.73 1a87 n GLY 327 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1a87 n GLY 327 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a87 n GLY 328 N 0.71 2.03 3.70 -0.02 0.00 -0.25 -4.79 105.19 106.58 1a87 n GLY 328 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1a87 n GLY 328 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a87 s VAL 329 N -1.92 4.82 0.26 1.61 1.01 -0.82 -4.86 120.40 120.50 1a87 s VAL 329 Ca 0.00 2.04 -0.31 0.00 0.00 0.00 0.00 61.98 63.71 1a87 s VAL 329 Cb 0.00 -4.31 -0.12 0.00 0.00 0.00 0.00 36.38 31.95 1a87 s VAL 329 CO 0.00 0.11 1.63 0.52 0.00 0.00 0.00 175.10 177.35 1a87 n VAL 330 N 4.13 0.68 -0.36 2.92 0.31 -1.26 -4.04 118.33 120.71 1a87 n VAL 330 Ca 0.07 -0.17 0.02 0.00 -0.01 0.00 0.00 64.34 64.25 1a87 n VAL 330 Cb 0.50 -1.94 0.09 0.00 -0.91 0.00 0.00 33.84 31.58 1a87 n VAL 330 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1a87 h ALA 331 N 5.39 0.40 -0.64 3.52 0.00 -1.92 0.26 119.26 126.26 1a87 h ALA 331 Ca -0.46 0.32 0.07 0.00 0.00 0.00 0.00 54.91 54.84 1a87 h ALA 331 Cb 1.22 0.86 -0.06 0.00 0.00 0.00 0.00 17.79 19.81 1a87 h ALA 331 CO 0.84 -0.50 0.33 0.78 0.00 0.00 0.00 179.25 180.70 1a87 h GLY 332 N -0.01 0.94 0.77 0.00 0.00 -1.91 -2.24 103.07 100.62 1a87 h GLY 332 Ca 0.40 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.51 1a87 h GLY 332 CO -0.98 0.11 0.00 -2.08 0.00 0.00 0.00 176.54 173.59 1a87 h VAL 333 N 0.61 1.19 -0.60 4.60 2.07 -0.85 -1.79 116.25 121.48 1a87 h VAL 333 Ca 0.30 -0.56 0.12 0.00 0.82 0.00 0.00 66.70 67.38 1a87 h VAL 333 Cb 0.23 1.54 -0.11 0.00 -1.52 0.00 0.00 31.29 31.43 1a87 h VAL 333 CO -0.21 0.15 -0.15 0.00 0.02 0.00 0.00 177.57 177.38 1a87 h ALA 334 N 0.77 0.40 -0.11 1.67 0.00 -0.84 0.82 119.26 121.97 1a87 h ALA 334 Ca 0.00 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1a87 h ALA 334 Cb 0.24 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1a87 h ALA 334 CO 0.00 -0.43 0.06 0.82 0.00 0.00 0.00 179.25 179.70 1a87 h ILE 335 N 0.00 1.10 -0.23 0.00 1.08 -1.33 0.84 117.51 118.97 1a87 h ILE 335 Ca 0.29 -0.27 0.04 0.00 -0.39 0.00 0.00 64.86 64.52 1a87 h ILE 335 Cb 0.44 1.09 -0.03 0.00 -3.07 0.00 0.00 36.82 35.24 1a87 h ILE 335 CO -0.61 0.09 0.01 0.28 -0.69 0.00 0.00 178.15 177.22 1a87 h SER 336 N 0.07 -0.07 -0.45 1.72 0.02 -0.24 0.29 113.55 114.88 1a87 h SER 336 Ca 0.04 0.05 0.07 0.00 -0.84 0.00 0.00 61.79 61.10 1a87 h SER 336 Cb 0.09 0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.65 1a87 h SER 336 CO -0.01 -0.00 0.11 0.25 -1.14 0.00 0.00 176.83 176.04 1a87 h LEU 337 N 0.09 0.05 0.43 5.07 5.85 0.79 0.89 115.31 128.48 1a87 h LEU 337 Ca 0.11 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1a87 h LEU 337 Cb 0.13 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1a87 h LEU 337 CO -0.17 0.06 -0.45 0.15 -0.34 0.00 0.00 178.44 177.69 1a87 h PHE 338 N 0.25 -1.23 -0.58 1.25 3.57 0.34 -2.37 116.94 118.17 1a87 h PHE 338 Ca 0.22 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.84 1a87 h PHE 338 Cb 0.26 0.48 -0.09 0.00 2.79 0.00 0.00 35.95 39.40 1a87 h PHE 338 CO -0.20 -0.61 0.07 0.78 -2.23 0.00 0.00 178.31 176.12 1a87 h GLY 339 N -0.89 0.68 0.25 2.40 0.00 0.03 -1.14 103.07 104.39 1a87 h GLY 339 Ca -0.04 0.02 0.04 0.00 0.00 0.00 0.00 47.33 47.35 1a87 h GLY 339 CO -0.08 -0.14 -0.30 0.00 0.00 0.00 0.00 176.54 176.02 1a87 h ALA 340 N 1.49 -0.38 0.06 3.60 0.00 -0.62 0.23 119.26 123.63 1a87 h ALA 340 Ca 0.30 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.24 1a87 h ALA 340 Cb 0.46 0.56 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1a87 h ALA 340 CO -0.44 -0.79 -0.23 0.28 0.00 0.00 0.00 179.25 178.06 1a87 h VAL 341 N -0.41 0.47 -0.59 0.00 2.07 -0.89 -0.82 116.25 116.08 1a87 h VAL 341 Ca 0.08 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.72 1a87 h VAL 341 Cb 0.53 0.47 -0.11 0.00 -1.52 0.00 0.00 31.29 30.66 1a87 h VAL 341 CO -0.30 0.00 -0.18 -0.07 0.02 0.00 0.00 177.57 177.04 1a87 h LEU 342 N -0.40 -0.64 -1.54 2.57 3.38 -0.70 0.34 115.31 118.31 1a87 h LEU 342 Ca 0.04 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1a87 h LEU 342 Cb 0.45 0.40 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1a87 h LEU 342 CO -0.17 -0.22 0.00 0.77 0.09 0.00 0.00 178.44 178.91 1a87 h SER 343 N -0.03 0.00 0.10 -0.43 4.64 0.01 -2.87 113.55 114.98 1a87 h SER 343 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1a87 h SER 343 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1a87 h SER 343 CO -0.63 0.00 -0.05 0.49 -0.87 0.00 0.00 176.83 175.78 1a87 n PHE 344 N -2.80 0.00 -1.83 4.77 3.72 0.12 -4.88 117.46 116.55 1a87 n PHE 344 Ca 0.00 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.00 1a87 n PHE 344 Cb 0.22 -0.05 0.01 0.00 -0.94 0.00 0.00 39.48 38.72 1a87 n PHE 344 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1a87 s LEU 345 N -2.16 4.18 -0.26 4.37 2.96 -1.08 -4.96 118.68 121.73 1a87 s LEU 345 Ca 0.37 2.92 -0.24 0.00 -0.22 0.00 0.00 54.13 56.96 1a87 s LEU 345 Cb 0.21 -3.86 -0.01 0.00 0.50 0.00 0.00 46.19 43.03 1a87 s LEU 345 CO 0.39 -1.06 0.80 -2.84 -1.32 0.00 0.00 176.35 172.32 1a87 s PRO 346 N -2.33 4.13 0.08 0.98 0.02 -1.26 -4.96 135.00 131.65 1a87 s PRO 346 Ca 0.58 0.82 0.26 0.00 0.02 0.00 0.00 61.00 62.68 1a87 s PRO 346 Cb -0.44 -3.66 0.63 0.00 0.02 0.00 0.00 34.50 31.05 1a87 s PRO 346 CO 0.57 -0.55 1.54 0.44 -0.33 0.00 0.00 177.00 178.67 1a87 n ILE 347 N 5.32 0.22 -1.74 2.83 -5.35 -1.26 -4.86 119.36 114.52 1a87 n ILE 347 Ca 0.04 -0.15 -0.42 0.00 -0.27 0.00 0.00 62.75 61.96 1a87 n ILE 347 Cb 0.48 -0.16 -0.02 0.00 -1.74 0.00 0.00 39.64 38.20 1a87 n ILE 347 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1a87 n SER 348 N -1.85 3.75 0.00 7.28 2.88 -1.26 -1.56 113.62 122.86 1a87 n SER 348 Ca 0.05 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 1a87 n SER 348 Cb 0.39 -1.58 0.00 0.00 -0.75 0.00 0.00 64.21 62.27 1a87 n SER 348 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a87 n GLY 349 N 2.07 0.75 3.53 0.46 0.00 -1.26 -4.99 105.19 105.74 1a87 n GLY 349 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 1a87 n GLY 349 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a87 s LEU 350 N 0.00 2.83 0.33 0.99 1.43 -0.60 -4.92 118.68 118.73 1a87 s LEU 350 Ca 0.00 -0.63 0.07 0.00 -1.03 0.00 0.00 54.13 52.54 1a87 s LEU 350 Cb 0.00 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.66 1a87 s LEU 350 CO 0.00 0.12 0.44 0.00 0.23 0.00 0.00 176.35 177.14 1a87 s ALA 351 N -1.60 4.17 0.50 4.21 0.00 -1.26 -4.90 121.76 122.89 1a87 s ALA 351 Ca 0.23 -1.46 0.30 0.00 0.00 0.00 0.00 51.96 51.03 1a87 s ALA 351 Cb -0.09 -1.63 1.41 0.00 0.00 0.00 0.00 23.12 22.81 1a87 s ALA 351 CO 0.13 -0.00 1.82 -0.24 0.00 0.00 0.00 175.76 177.46 1a87 h VAL 352 N 0.96 0.48 0.06 0.00 3.04 -1.98 0.13 116.25 118.93 1a87 h VAL 352 Ca -0.46 -0.04 -0.00 0.00 -1.01 0.00 0.00 66.70 65.19 1a87 h VAL 352 Cb 1.25 0.35 0.00 0.00 -2.01 0.00 0.00 31.29 30.88 1a87 h VAL 352 CO 0.54 0.02 -0.03 0.71 -1.01 0.00 0.00 177.57 177.80 1a87 h THR 353 N 0.12 1.23 -0.82 3.17 1.35 -1.93 -2.19 112.91 113.83 1a87 h THR 353 Ca 0.54 -1.12 0.10 0.00 -0.55 0.00 0.00 66.41 65.39 1a87 h THR 353 Cb 1.92 1.95 -0.06 0.00 -1.73 0.00 0.00 68.15 70.22 1a87 h THR 353 CO -0.09 0.27 0.54 0.00 -0.25 0.00 0.00 175.52 175.99 1a87 h ALA 354 N 0.27 1.76 -0.18 6.62 0.00 -1.28 -1.44 119.26 125.02 1a87 h ALA 354 Ca -0.01 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1a87 h ALA 354 Cb 0.51 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1a87 h ALA 354 CO 0.01 0.06 -0.05 -0.07 0.00 0.00 0.00 179.25 179.20 1a87 h LEU 355 N 0.74 -0.19 -0.60 0.00 3.38 -0.68 -1.27 115.31 116.69 1a87 h LEU 355 Ca 0.39 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.49 1a87 h LEU 355 Cb 0.49 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.30 1a87 h LEU 355 CO -0.16 -0.07 0.28 1.23 0.09 0.00 0.00 178.44 179.81 1a87 h GLY 356 N -0.02 0.86 0.22 0.83 0.00 -0.62 0.15 103.07 104.50 1a87 h GLY 356 Ca 0.09 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 1a87 h GLY 356 CO -0.19 0.06 -0.39 -2.08 0.00 0.00 0.00 176.54 173.95 1a87 h VAL 357 N 0.51 0.00 -0.56 4.60 2.07 -0.97 0.35 116.25 122.25 1a87 h VAL 357 Ca 0.29 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.90 1a87 h VAL 357 Cb 0.27 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.93 1a87 h VAL 357 CO -0.23 0.00 -0.37 0.40 0.02 0.00 0.00 177.57 177.39 1a87 h ILE 358 N -0.65 0.15 -0.14 4.57 5.03 -1.00 0.51 117.51 125.98 1a87 h ILE 358 Ca -0.02 0.00 0.04 0.00 -0.12 0.00 0.00 64.86 64.75 1a87 h ILE 358 Cb 0.60 0.15 -0.04 0.00 -3.03 0.00 0.00 36.82 34.50 1a87 h ILE 358 CO -0.14 0.00 -0.11 1.23 -0.68 0.00 0.00 178.15 178.45 1a87 h GLY 359 N -0.20 0.00 1.00 5.37 0.00 -0.39 -1.11 103.07 107.74 1a87 h GLY 359 Ca 0.21 0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.65 1a87 h GLY 359 CO -0.67 -0.12 -0.20 -2.22 0.00 0.00 0.00 176.54 173.33 1a87 h ILE 360 N -0.12 0.60 -0.29 2.60 1.08 0.98 -2.86 117.51 119.50 1a87 h ILE 360 Ca 0.09 -0.02 0.04 0.00 -0.39 0.00 0.00 64.86 64.58 1a87 h ILE 360 Cb 0.25 0.61 -0.07 0.00 -3.07 0.00 0.00 36.82 34.55 1a87 h ILE 360 CO -0.22 0.00 -0.48 0.24 -0.69 0.00 0.00 178.15 177.00 1a87 h MET 361 N -0.57 -0.38 -0.37 2.37 2.86 0.23 0.18 114.93 119.26 1a87 h MET 361 Ca -0.06 0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.65 1a87 h MET 361 Cb 0.43 0.09 -0.05 0.00 0.06 0.00 0.00 31.60 32.13 1a87 h MET 361 CO 0.09 -0.25 -0.29 1.15 1.06 0.00 0.00 176.91 178.67 1a87 h THR 362 N -0.39 0.00 -0.98 2.22 2.02 -1.22 0.24 112.91 114.79 1a87 h THR 362 Ca 0.05 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.43 1a87 h THR 362 Cb 0.54 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.84 1a87 h THR 362 CO -0.48 0.00 0.58 0.40 0.37 0.00 0.00 175.52 176.39 1a87 h ILE 363 N -0.09 0.65 -0.07 3.11 1.08 -1.26 -2.42 117.51 118.52 1a87 h ILE 363 Ca 0.06 -0.24 -0.03 0.00 -0.39 0.00 0.00 64.86 64.26 1a87 h ILE 363 Cb 0.25 -0.09 -0.00 0.00 -3.07 0.00 0.00 36.82 33.90 1a87 h ILE 363 CO -0.40 0.13 -0.08 0.28 -0.69 0.00 0.00 178.15 177.39 1a87 h SER 364 N 0.69 0.18 -0.75 1.72 0.02 0.20 -2.39 113.55 113.21 1a87 h SER 364 Ca 0.58 -0.50 0.13 0.00 -0.84 0.00 0.00 61.79 61.17 1a87 h SER 364 Cb 0.96 -0.05 -0.09 0.00 0.14 0.00 0.00 62.40 63.36 1a87 h SER 364 CO -0.41 0.64 0.33 1.88 -1.14 0.00 0.00 176.83 178.14 1a87 h TYR 365 N -0.27 0.58 0.15 3.45 0.05 -0.20 -0.80 116.97 119.93 1a87 h TYR 365 Ca 0.01 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 1a87 h TYR 365 Cb 0.60 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 38.19 1a87 h TYR 365 CO 0.09 0.13 -0.07 -0.07 -1.05 0.00 0.00 178.16 177.19 1a87 h LEU 366 N 0.51 -0.17 -1.64 3.88 3.38 -1.42 -2.88 115.31 116.96 1a87 h LEU 366 Ca 0.40 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1a87 h LEU 366 Cb 0.56 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1a87 h LEU 366 CO -0.36 0.08 0.19 0.28 0.09 0.00 0.00 178.44 178.72 1a87 h SER 367 N -0.43 0.38 -0.97 -0.43 0.02 -1.07 -1.88 113.55 109.18 1a87 h SER 367 Ca -0.02 -0.02 0.18 0.00 -0.84 0.00 0.00 61.79 61.10 1a87 h SER 367 Cb 0.34 -0.09 -0.09 0.00 0.14 0.00 0.00 62.40 62.69 1a87 h SER 367 CO 0.03 0.29 0.61 0.28 -1.14 0.00 0.00 176.83 176.91 1a87 h SER 368 N 0.44 0.68 1.20 3.07 0.02 -0.94 0.02 113.55 118.04 1a87 h SER 368 Ca 0.12 0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 61.05 1a87 h SER 368 Cb -0.01 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 1a87 h SER 368 CO -0.02 0.28 -0.84 -0.26 -1.14 0.00 0.00 176.83 174.84 1a87 h PHE 369 N 0.68 0.00 0.00 3.45 0.04 -1.28 -3.38 116.94 116.45 1a87 h PHE 369 Ca 0.53 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.30 1a87 h PHE 369 Cb 0.92 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.07 1a87 h PHE 369 CO -0.00 0.33 0.00 -0.89 -0.60 0.00 0.00 178.31 177.15 1a87 n ILE 370 N -2.97 0.00 -4.03 -0.55 5.41 -0.17 -1.52 119.36 115.52 1a87 n ILE 370 Ca -0.02 0.22 -0.34 0.00 1.00 0.00 0.00 62.75 63.61 1a87 n ILE 370 Cb 0.70 -1.20 -0.15 0.00 -0.71 0.00 0.00 39.64 38.27 1a87 n ILE 370 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1a87 s ASP 371 N -2.41 3.71 0.19 4.38 -1.08 -0.24 -4.82 116.67 116.40 1a87 s ASP 371 Ca 0.00 -0.65 -0.11 0.00 -0.52 0.00 0.00 52.55 51.27 1a87 s ASP 371 Cb 0.00 -1.58 0.10 0.00 -1.46 0.00 0.00 42.92 39.98 1a87 s ASP 371 CO 0.00 -0.04 1.78 0.00 0.52 0.00 0.00 175.17 177.43 1a87 h ALA 372 N 7.99 0.84 -0.71 3.66 0.00 -1.88 -3.07 119.26 126.10 1a87 h ALA 372 Ca -0.41 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 1a87 h ALA 372 Cb 1.14 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1a87 h ALA 372 CO 0.61 0.40 0.37 -0.91 0.00 0.00 0.00 179.25 179.72 1a87 h ASN 373 N 0.90 0.88 -0.50 0.00 4.21 -1.94 -2.54 115.58 116.59 1a87 h ASN 373 Ca 0.23 -0.08 0.12 0.00 1.21 0.00 0.00 56.30 57.78 1a87 h ASN 373 Cb 0.10 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 37.05 1a87 h ASN 373 CO -0.03 0.72 0.35 -0.09 -1.29 0.00 0.00 177.43 177.09 1a87 h ARG 374 N 0.99 0.12 -0.94 0.81 9.65 -1.90 -1.82 114.38 121.29 1a87 h ARG 374 Ca 0.25 -0.01 0.09 0.00 -1.10 0.00 0.00 59.98 59.21 1a87 h ARG 374 Cb 0.05 -0.03 -0.07 0.00 -1.39 0.00 0.00 29.97 28.53 1a87 h ARG 374 CO -0.04 0.08 0.59 0.28 2.80 0.00 0.00 179.97 183.68 1a87 h VAL 375 N 0.13 1.00 0.01 0.20 2.07 -1.56 -0.91 116.25 117.18 1a87 h VAL 375 Ca 0.24 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.44 1a87 h VAL 375 Cb 0.77 -0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 1a87 h VAL 375 CO -0.03 0.18 -0.26 0.77 0.02 0.00 0.00 177.57 178.26 1a87 h SER 376 N 1.01 -0.76 -0.73 0.57 4.64 -1.47 -1.22 113.55 115.58 1a87 h SER 376 Ca 0.43 0.10 0.13 0.00 -0.47 0.00 0.00 61.79 61.99 1a87 h SER 376 Cb 0.29 0.31 -0.13 0.00 -0.31 0.00 0.00 62.40 62.56 1a87 h SER 376 CO -0.21 -0.33 -0.30 0.78 -0.87 0.00 0.00 176.83 175.90 1a87 h ASN 377 N -0.40 -1.06 0.01 4.97 4.21 -1.26 0.14 115.58 122.19 1a87 h ASN 377 Ca 0.06 0.24 0.03 0.00 1.21 0.00 0.00 56.30 57.84 1a87 h ASN 377 Cb 0.48 0.58 -0.04 0.00 -1.12 0.00 0.00 38.32 38.22 1a87 h ASN 377 CO -0.22 -0.29 -0.22 0.40 -1.29 0.00 0.00 177.43 175.81 1a87 h ILE 378 N -0.08 0.49 -0.93 2.81 2.04 -0.82 -1.63 117.51 119.38 1a87 h ILE 378 Ca 0.30 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.34 1a87 h ILE 378 Cb 0.57 0.49 -0.08 0.00 -0.74 0.00 0.00 36.82 37.06 1a87 h ILE 378 CO -0.78 0.00 0.60 -1.13 0.00 0.00 0.00 178.15 176.84 1a87 h ASN 379 N -0.35 0.59 0.43 1.72 -1.24 0.38 0.11 115.58 117.21 1a87 h ASN 379 Ca 0.06 0.05 -0.05 0.00 0.71 0.00 0.00 56.30 57.08 1a87 h ASN 379 Cb 0.43 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.42 1a87 h ASN 379 CO -0.20 0.25 -0.23 0.78 -1.29 0.00 0.00 177.43 176.74 1a87 h ASN 380 N 0.59 0.00 0.02 1.15 2.35 -0.04 -2.79 115.58 116.86 1a87 h ASN 380 Ca 0.49 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.24 1a87 h ASN 380 Cb 0.96 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.33 1a87 h ASN 380 CO -0.24 0.23 -0.41 2.30 -1.65 0.00 0.00 177.43 177.66 1a87 n ILE 381 N -3.82 0.00 -0.27 2.81 -6.64 0.31 -4.28 119.36 107.47 1a87 n ILE 381 Ca -0.02 -0.26 0.11 0.00 -1.77 0.00 0.00 62.75 60.81 1a87 n ILE 381 Cb 0.32 1.15 0.36 0.00 -1.44 0.00 0.00 39.64 40.03 1a87 n ILE 381 CO 0.00 0.00 0.00 0.40 -1.77 0.00 0.00 176.55 175.18 1a87 h ILE 382 N 2.44 0.88 -0.43 7.28 2.04 -1.10 -2.45 117.51 126.18 1a87 h ILE 382 Ca 0.00 -0.25 0.08 0.00 1.00 0.00 0.00 64.86 65.69 1a87 h ILE 382 Cb 0.74 0.07 -0.07 0.00 -0.74 0.00 0.00 36.82 36.82 1a87 h ILE 382 CO 0.00 0.13 -0.05 0.77 0.00 0.00 0.00 178.15 179.01 1a87 h SER 383 N 0.74 -0.28 0.79 1.72 4.64 -1.75 0.10 113.55 119.50 1a87 h SER 383 Ca 0.43 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 1a87 h SER 383 Cb 0.62 0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1a87 h SER 383 CO -0.19 -0.10 -0.36 -1.54 -0.87 0.00 0.00 176.83 173.77 1a87 n SER 384 N -5.26 0.45 -0.09 4.97 3.41 -0.95 -4.05 113.62 112.09 1a87 n SER 384 Ca 0.03 0.09 -0.16 0.00 -0.26 0.00 0.00 58.87 58.57 1a87 n SER 384 Cb 0.23 -0.04 -0.13 0.00 -0.26 0.00 0.00 64.21 64.01 1a87 n SER 384 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1a87 n VAL 385 N -1.70 1.53 -3.28 -3.33 0.31 -0.99 -4.77 118.33 106.10 1a87 n VAL 385 Ca 0.05 -0.66 -0.46 0.00 -0.01 0.00 0.00 64.34 63.26 1a87 n VAL 385 Cb 0.37 -1.25 -0.04 0.00 -0.91 0.00 0.00 33.84 32.01 1a87 n VAL 385 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1a87 s ILE 386 N -2.53 5.32 0.00 2.52 -1.09 -0.01 -4.79 121.20 120.63 1a87 s ILE 386 Ca -0.26 -1.87 0.00 0.00 -2.23 0.00 0.00 60.65 56.29 1a87 s ILE 386 Cb 0.08 -4.43 0.00 0.00 -1.58 0.00 0.00 42.46 36.53 1a87 s ILE 386 CO 0.69 -0.99 0.00 0.54 -1.23 0.00 0.00 174.94 173.95