#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jg8 h GLN 88 N 0.00 1.06 0.00 1.97 4.15 -2.02 -0.85 115.11 119.41 2jg8 h GLN 88 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.36 2jg8 h GLN 88 Cb 0.00 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.45 2jg8 h GLN 88 CO 0.00 0.70 0.00 0.36 -1.93 0.00 0.00 178.83 177.96 2jg8 n LYS 89 N -4.54 0.67 -0.21 1.69 2.85 -1.26 -2.16 118.16 115.20 2jg8 n LYS 89 Ca 0.12 0.02 0.12 0.00 -1.05 0.00 0.00 58.31 57.51 2jg8 n LYS 89 Cb 0.12 -1.50 0.24 0.00 -0.65 0.00 0.00 35.03 33.24 2jg8 n LYS 89 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2jg8 n PHE 90 N -1.11 0.55 -4.73 5.58 3.72 -0.33 -4.93 117.46 116.22 2jg8 n PHE 90 Ca 0.17 -0.27 -0.32 0.00 -0.05 0.00 0.00 57.45 56.98 2jg8 n PHE 90 Cb 0.13 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.59 2jg8 n PHE 90 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2jg8 s GLN 91 N -1.45 2.16 -0.22 -1.08 -1.52 -0.92 -5.02 119.66 111.60 2jg8 s GLN 91 Ca 0.40 -2.35 -0.11 0.00 -1.95 0.00 0.00 55.36 51.35 2jg8 s GLN 91 Cb 0.23 -1.56 0.08 0.00 -0.22 0.00 0.00 33.01 31.54 2jg8 s GLN 91 CO 0.31 -0.31 0.52 0.45 -0.25 0.00 0.00 175.29 176.01 2jg8 s SER 92 N -3.85 -0.66 -0.21 5.90 0.15 -1.26 -4.90 113.70 108.87 2jg8 s SER 92 Ca 0.11 1.17 -0.27 0.00 0.70 0.00 0.00 55.95 57.66 2jg8 s SER 92 Cb 0.03 1.25 0.08 0.00 -1.71 0.00 0.00 66.02 65.66 2jg8 s SER 92 CO 0.06 -0.22 0.75 0.54 1.20 0.00 0.00 173.24 175.56 2jg8 s VAL 93 N 1.90 0.00 0.04 4.45 0.11 -1.26 -0.49 120.40 125.15 2jg8 s VAL 93 Ca -0.08 0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 58.75 2jg8 s VAL 93 Cb -0.09 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.82 2jg8 s VAL 93 CO -0.16 0.00 0.52 0.72 -3.33 0.00 0.00 175.10 172.85 2jg8 s PHE 94 N -0.08 -0.43 -0.08 1.54 -0.12 -0.42 -4.11 117.98 114.29 2jg8 s PHE 94 Ca -0.03 0.50 -0.03 0.00 -0.05 0.00 0.00 56.93 57.32 2jg8 s PHE 94 Cb -0.04 0.33 0.04 0.00 -0.63 0.00 0.00 43.02 42.73 2jg8 s PHE 94 CO 0.03 -0.63 0.07 0.99 -0.05 0.00 0.00 175.22 175.62 2jg8 s THR 95 N -2.34 -0.07 0.29 -4.49 2.01 -0.17 -2.45 115.64 108.42 2jg8 s THR 95 Ca -0.06 0.23 0.11 0.00 0.31 0.00 0.00 61.69 62.28 2jg8 s THR 95 Cb -0.01 -0.31 -0.05 0.00 0.01 0.00 0.00 72.50 72.15 2jg8 s THR 95 CO -0.01 0.04 -0.13 0.68 -0.69 0.00 0.00 174.62 174.51 2jg8 s VAL 96 N 2.15 2.61 0.10 3.82 -7.23 -0.74 -0.51 120.40 120.60 2jg8 s VAL 96 Ca 0.04 -2.26 -0.00 0.00 -1.81 0.00 0.00 61.98 57.95 2jg8 s VAL 96 Cb -0.13 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 2jg8 s VAL 96 CO -0.05 -0.35 -0.01 0.28 -0.31 0.00 0.00 175.10 174.66 2jg8 s THR 97 N -2.50 0.36 -0.46 5.32 -1.32 0.13 -1.69 115.64 115.48 2jg8 s THR 97 Ca 0.31 -1.89 -0.11 0.00 -1.21 0.00 0.00 61.69 58.79 2jg8 s THR 97 Cb -0.04 -1.76 0.09 0.00 -1.51 0.00 0.00 72.50 69.28 2jg8 s THR 97 CO 0.16 -0.77 0.33 -0.60 -2.21 0.00 0.00 174.62 171.54 2jg8 s ARG 98 N -3.93 2.69 -0.77 7.08 3.52 -0.93 -1.95 118.95 124.65 2jg8 s ARG 98 Ca 0.15 -1.54 -0.09 0.00 -0.13 0.00 0.00 55.73 54.11 2jg8 s ARG 98 Cb 0.07 -3.94 0.20 0.00 -1.56 0.00 0.00 34.95 29.72 2jg8 s ARG 98 CO -0.04 -1.07 0.66 -1.14 -0.81 0.00 0.00 175.30 172.90 2jg8 s GLN 99 N 1.47 3.24 -0.14 5.12 0.74 -1.26 -4.62 119.66 124.21 2jg8 s GLN 99 Ca 0.04 -2.57 -0.30 0.00 0.05 0.00 0.00 55.36 52.58 2jg8 s GLN 99 Cb -0.25 -4.16 0.13 0.00 1.10 0.00 0.00 33.01 29.83 2jg8 s GLN 99 CO 0.02 -1.24 1.01 -0.08 -0.55 0.00 0.00 175.29 174.45 2jg8 s THR 100 N -0.07 0.00 -0.15 -0.34 -1.32 -1.26 -4.97 115.64 107.54 2jg8 s THR 100 Ca 0.19 0.00 0.17 0.00 -1.21 0.00 0.00 61.69 60.84 2jg8 s THR 100 Cb -0.14 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.78 2jg8 s THR 100 CO -0.07 0.00 0.97 -0.74 -2.21 0.00 0.00 174.62 172.57 2jg8 h HIS 101 N 2.35 0.00 -3.42 9.09 2.76 -1.95 -3.46 115.15 120.52 2jg8 h HIS 101 Ca -0.18 0.00 -0.54 0.00 -2.20 0.00 0.00 60.37 57.45 2jg8 h HIS 101 Cb 1.18 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.11 2jg8 h HIS 101 CO 0.28 0.47 0.23 -0.65 -1.30 0.00 0.00 177.93 176.96 2jg8 s GLN 102 N -3.00 4.53 0.87 5.26 -0.21 -1.26 -4.77 119.66 121.07 2jg8 s GLN 102 Ca -0.01 1.17 -0.13 0.00 0.02 0.00 0.00 55.36 56.41 2jg8 s GLN 102 Cb 0.09 -3.42 0.12 0.00 1.00 0.00 0.00 33.01 30.80 2jg8 s GLN 102 CO 0.80 0.12 1.19 -1.25 -2.12 0.00 0.00 175.29 174.02 2jg8 s PRO 103 N 0.49 1.49 0.81 2.91 0.04 -1.26 -4.99 135.00 134.48 2jg8 s PRO 103 Ca 0.43 0.07 -0.10 0.00 0.04 0.00 0.00 61.00 61.44 2jg8 s PRO 103 Cb -0.20 -1.90 0.08 0.00 0.04 0.00 0.00 34.50 32.52 2jg8 s PRO 103 CO 0.24 -1.92 1.11 -2.14 0.04 0.00 0.00 177.00 174.33 2jg8 s PRO 104 N -5.55 1.94 0.62 0.56 0.02 -1.26 -4.99 135.00 126.36 2jg8 s PRO 104 Ca 0.64 1.28 -0.17 0.00 0.02 0.00 0.00 61.00 62.77 2jg8 s PRO 104 Cb -0.11 -1.85 -0.02 0.00 0.02 0.00 0.00 34.50 32.54 2jg8 s PRO 104 CO 0.51 -1.89 1.13 0.00 -0.33 0.00 0.00 177.00 176.41 2jg8 s ALA 105 N -2.82 2.52 0.56 -1.55 0.00 -1.26 -4.87 121.76 114.34 2jg8 s ALA 105 Ca 0.63 0.69 -0.21 0.00 0.00 0.00 0.00 51.96 53.07 2jg8 s ALA 105 Cb -0.19 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 2jg8 s ALA 105 CO 0.56 -1.15 1.35 -2.30 0.00 0.00 0.00 175.76 174.22 2jg8 n PRO 106 N -2.02 1.62 -3.81 0.00 -0.02 -1.26 -3.33 135.00 126.18 2jg8 n PRO 106 Ca 0.11 0.60 -0.24 0.00 -2.02 0.00 0.00 63.50 61.95 2jg8 n PRO 106 Cb 0.51 -2.56 0.01 0.00 -0.02 0.00 0.00 33.50 31.44 2jg8 n PRO 106 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2jg8 n ASN 107 N -1.08 -1.17 -4.16 2.55 3.02 0.19 -4.97 115.26 109.64 2jg8 n ASN 107 Ca 0.11 -0.89 -0.10 0.00 -0.03 0.00 0.00 54.58 53.68 2jg8 n ASN 107 Cb 0.45 -3.67 -0.10 0.00 -0.61 0.00 0.00 39.78 35.85 2jg8 n ASN 107 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2jg8 s SER 108 N -4.27 0.97 0.33 6.41 1.04 -1.14 -4.94 113.70 112.10 2jg8 s SER 108 Ca 0.07 -1.02 -0.29 0.00 0.48 0.00 0.00 55.95 55.19 2jg8 s SER 108 Cb -0.03 0.13 -0.11 0.00 0.10 0.00 0.00 66.02 66.10 2jg8 s SER 108 CO 0.84 -0.51 1.49 -0.22 0.98 0.00 0.00 173.24 175.82 2jg8 s LEU 109 N -3.02 4.35 -0.36 2.42 0.20 -1.26 -1.06 118.68 119.94 2jg8 s LEU 109 Ca 0.12 2.94 -0.19 0.00 0.69 0.00 0.00 54.13 57.69 2jg8 s LEU 109 Cb 0.06 -3.65 0.00 0.00 -0.43 0.00 0.00 46.19 42.17 2jg8 s LEU 109 CO -0.05 -0.82 0.57 -0.63 -0.29 0.00 0.00 176.35 175.13 2jg8 s ILE 110 N -0.70 4.95 -0.14 6.68 1.01 0.12 -4.88 121.20 128.24 2jg8 s ILE 110 Ca 0.56 0.39 -0.22 0.00 0.00 0.00 0.00 60.65 61.38 2jg8 s ILE 110 Cb -0.46 -4.03 -0.03 0.00 0.01 0.00 0.00 42.46 37.95 2jg8 s ILE 110 CO 0.56 -0.30 0.67 -0.60 0.00 0.00 0.00 174.94 175.27 2jg8 s ARG 111 N 2.55 4.31 -0.34 2.79 3.52 -1.26 -4.65 118.95 125.87 2jg8 s ARG 111 Ca 0.21 0.76 -0.15 0.00 -0.13 0.00 0.00 55.73 56.42 2jg8 s ARG 111 Cb -0.15 -3.52 -0.01 0.00 -1.56 0.00 0.00 34.95 29.71 2jg8 s ARG 111 CO 0.14 -0.12 0.35 -0.06 -0.81 0.00 0.00 175.30 174.81 2jg8 s PHE 112 N 1.46 3.21 -0.45 5.12 0.40 -1.26 -4.81 117.98 121.65 2jg8 s PHE 112 Ca 0.33 -0.05 0.23 0.00 -0.60 0.00 0.00 56.93 56.84 2jg8 s PHE 112 Cb -0.16 -2.65 0.12 0.00 0.51 0.00 0.00 43.02 40.83 2jg8 s PHE 112 CO 0.13 -0.43 1.12 0.27 0.70 0.00 0.00 175.22 177.01 2jg8 n ASN 113 N 5.36 0.72 -4.44 1.36 6.94 -1.02 -4.59 115.26 119.58 2jg8 n ASN 113 Ca -0.09 0.13 -0.32 0.00 -0.02 0.00 0.00 54.58 54.27 2jg8 n ASN 113 Cb 0.49 0.47 -0.13 0.00 -2.36 0.00 0.00 39.78 38.25 2jg8 n ASN 113 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2jg8 s ALA 114 N -3.26 2.55 -0.15 -2.53 0.00 -0.82 -4.95 121.76 112.59 2jg8 s ALA 114 Ca 0.03 -1.08 -0.05 0.00 0.00 0.00 0.00 51.96 50.85 2jg8 s ALA 114 Cb 0.12 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.39 2jg8 s ALA 114 CO 0.77 0.56 0.02 0.08 0.00 0.00 0.00 175.76 177.19 2jg8 s VAL 115 N -0.78 4.46 -0.17 0.00 1.01 -1.26 0.17 120.40 123.84 2jg8 s VAL 115 Ca 0.12 -0.16 -0.10 0.00 0.00 0.00 0.00 61.98 61.84 2jg8 s VAL 115 Cb -0.10 -2.97 -0.22 0.00 0.00 0.00 0.00 36.38 33.08 2jg8 s VAL 115 CO 0.02 0.51 0.22 0.18 0.00 0.00 0.00 175.10 176.02 2jg8 n LEU 116 N 3.18 2.42 -3.66 3.92 4.77 0.34 -4.95 117.00 123.02 2jg8 n LEU 116 Ca -0.17 0.24 -0.14 0.00 -0.03 0.00 0.00 56.01 55.90 2jg8 n LEU 116 Cb 0.53 -1.04 -0.08 0.00 -2.33 0.00 0.00 43.42 40.50 2jg8 n LEU 116 CO 0.33 0.69 0.27 0.28 -1.33 0.00 0.00 177.39 177.63 2jg8 s THR 117 N -2.50 0.01 -0.36 -5.08 -1.32 -0.98 -4.96 115.64 100.44 2jg8 s THR 117 Ca -0.27 -0.05 0.05 0.00 -1.21 0.00 0.00 61.69 60.21 2jg8 s THR 117 Cb 0.07 -0.82 0.26 0.00 -1.51 0.00 0.00 72.50 70.51 2jg8 s THR 117 CO 0.69 -0.03 1.24 -3.20 -2.21 0.00 0.00 174.62 171.11 2jg8 n ASN 118 N 2.28 -1.56 0.16 8.08 5.15 -1.26 -1.00 115.26 127.11 2jg8 n ASN 118 Ca -0.15 -2.30 0.04 0.00 -0.60 0.00 0.00 54.58 51.56 2jg8 n ASN 118 Cb 0.56 1.25 0.44 0.00 -0.53 0.00 0.00 39.78 41.50 2jg8 n ASN 118 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2jg8 h PRO 119 N 2.03 0.14 -0.01 1.20 0.13 -1.99 -1.03 132.00 132.47 2jg8 h PRO 119 Ca -0.34 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2jg8 h PRO 119 Cb 1.21 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2jg8 h PRO 119 CO -0.05 0.29 -0.34 1.04 -0.23 0.00 0.00 178.00 178.72 2jg8 n GLN 120 N -4.29 0.67 -1.24 0.86 3.00 -1.26 -4.94 117.38 110.17 2jg8 n GLN 120 Ca -0.01 -0.41 -0.08 0.00 -0.01 0.00 0.00 57.00 56.48 2jg8 n GLN 120 Cb 0.26 -1.49 -0.04 0.00 0.00 0.00 0.00 30.24 28.97 2jg8 n GLN 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jg8 n GLY 121 N 1.38 1.03 0.21 1.08 0.00 -0.39 -4.91 105.19 103.58 2jg8 n GLY 121 Ca 0.10 -0.66 -0.00 0.00 0.00 0.00 0.00 46.02 45.47 2jg8 n GLY 121 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2jg8 h ASP 122 N 0.00 0.21 -3.30 1.61 3.32 -1.86 -3.39 116.42 113.01 2jg8 h ASP 122 Ca -0.17 -0.07 -0.58 0.00 0.02 0.00 0.00 57.03 56.23 2jg8 h ASP 122 Cb 0.55 -0.06 -0.07 0.00 0.22 0.00 0.00 39.33 39.97 2jg8 h ASP 122 CO 0.25 0.53 -0.10 -0.47 -1.72 0.00 0.00 179.24 177.73 2jg8 s TYR 123 N -4.30 3.57 -0.34 4.55 5.04 -1.26 -0.76 117.35 123.84 2jg8 s TYR 123 Ca -0.04 0.98 -0.07 0.00 -2.44 0.00 0.00 57.07 55.50 2jg8 s TYR 123 Cb 0.14 -2.56 0.04 0.00 0.35 0.00 0.00 41.96 39.93 2jg8 s TYR 123 CO 0.75 0.23 0.11 0.34 -1.34 0.00 0.00 175.55 175.65 2jg8 s ASP 124 N 0.35 5.34 0.38 4.32 -1.08 -0.12 -4.97 116.67 120.89 2jg8 s ASP 124 Ca 0.28 -1.11 0.28 0.00 -0.52 0.00 0.00 52.55 51.47 2jg8 s ASP 124 Cb -0.16 -1.88 1.21 0.00 -1.46 0.00 0.00 42.92 40.63 2jg8 s ASP 124 CO 0.12 -0.32 1.83 0.71 0.52 0.00 0.00 175.17 178.03 2jg8 h THR 125 N 6.14 0.00 0.00 1.71 1.35 -1.87 0.17 112.91 120.41 2jg8 h THR 125 Ca -0.24 -0.28 -0.16 0.00 -0.55 0.00 0.00 66.41 65.18 2jg8 h THR 125 Cb 1.09 1.09 -0.03 0.00 -1.73 0.00 0.00 68.15 68.57 2jg8 h THR 125 CO 0.61 0.00 -1.05 0.77 -0.25 0.00 0.00 175.52 175.59 2jg8 h SER 126 N 0.00 0.00 0.00 5.36 4.64 -1.93 -3.37 113.55 118.25 2jg8 h SER 126 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 2jg8 h SER 126 Cb 0.36 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 2jg8 h SER 126 CO 0.00 0.63 -1.85 0.35 -0.87 0.00 0.00 176.83 175.09 2jg8 n THR 127 N -3.07 0.33 -0.73 2.95 -2.24 -1.09 -5.00 114.28 105.43 2jg8 n THR 127 Ca -0.05 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 2jg8 n THR 127 Cb 0.83 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 2jg8 n THR 127 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jg8 n GLY 128 N 1.72 0.62 3.38 3.38 0.00 0.58 -4.94 105.19 109.93 2jg8 n GLY 128 Ca -0.10 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 2jg8 n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jg8 s LYS 129 N -0.54 2.29 0.05 1.61 1.02 -1.18 -4.65 119.74 118.33 2jg8 s LYS 129 Ca 0.00 -0.83 -0.24 0.00 0.02 0.00 0.00 55.97 54.92 2jg8 s LYS 129 Cb 0.00 -2.19 -0.06 0.00 -0.52 0.00 0.00 37.83 35.06 2jg8 s LYS 129 CO 0.00 0.59 0.75 0.12 -0.92 0.00 0.00 175.35 175.89 2jg8 s PHE 130 N -0.66 3.75 -0.10 3.18 5.36 -0.13 -0.95 117.98 128.44 2jg8 s PHE 130 Ca 0.11 1.46 0.03 0.00 -0.96 0.00 0.00 56.93 57.57 2jg8 s PHE 130 Cb -0.10 -2.79 0.00 0.00 -0.34 0.00 0.00 43.02 39.79 2jg8 s PHE 130 CO -0.00 0.31 -0.21 0.99 -1.46 0.00 0.00 175.22 174.85 2jg8 s THR 131 N -0.20 1.83 -0.12 0.12 2.01 0.06 -1.23 115.64 118.10 2jg8 s THR 131 Ca 0.37 -0.88 -0.29 0.00 0.31 0.00 0.00 61.69 61.20 2jg8 s THR 131 Cb -0.21 -1.61 -0.04 0.00 0.01 0.00 0.00 72.50 70.66 2jg8 s THR 131 CO 0.23 0.51 1.57 0.00 -0.69 0.00 0.00 174.62 176.24 2jg8 n LYS 133 N 7.20 0.62 -3.63 0.00 5.02 -1.26 -0.77 118.16 125.34 2jg8 n LYS 133 Ca 0.17 0.34 -0.39 0.00 -2.02 0.00 0.00 58.31 56.41 2jg8 n LYS 133 Cb 0.44 -1.61 -0.11 0.00 -0.02 0.00 0.00 35.03 33.73 2jg8 n LYS 133 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2jg8 s VAL 134 N -2.47 4.64 0.59 -0.18 1.01 -1.26 -4.79 120.40 117.93 2jg8 s VAL 134 Ca -0.33 -0.52 -0.18 0.00 0.00 0.00 0.00 61.98 60.95 2jg8 s VAL 134 Cb 0.10 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 2jg8 s VAL 134 CO 0.58 -0.02 1.17 -2.16 0.00 0.00 0.00 175.10 174.67 2jg8 s PRO 135 N 1.60 3.02 0.00 2.72 0.04 -1.26 -4.91 135.00 136.22 2jg8 s PRO 135 Ca 0.04 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.76 2jg8 s PRO 135 Cb -0.18 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.41 2jg8 s PRO 135 CO 0.07 -1.13 0.00 0.41 0.04 0.00 0.00 177.00 176.39 2jg8 n GLY 136 N 0.23 0.72 3.67 0.56 0.00 -0.59 -2.03 105.19 107.76 2jg8 n GLY 136 Ca 0.12 -1.78 -0.38 0.00 0.00 0.00 0.00 46.02 43.99 2jg8 n GLY 136 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jg8 s LEU 137 N 0.00 4.15 0.14 0.99 2.96 0.39 -0.32 118.68 126.99 2jg8 s LEU 137 Ca 0.00 0.49 0.10 0.00 -0.22 0.00 0.00 54.13 54.50 2jg8 s LEU 137 Cb 0.00 -2.49 -0.04 0.00 0.50 0.00 0.00 46.19 44.16 2jg8 s LEU 137 CO 0.00 -0.07 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.46 2jg8 s TYR 138 N 1.31 2.48 -0.14 5.38 1.51 0.17 -0.10 117.35 127.97 2jg8 s TYR 138 Ca 0.18 -0.29 -0.02 0.00 -1.01 0.00 0.00 57.07 55.93 2jg8 s TYR 138 Cb -0.15 -1.30 -0.02 0.00 -0.11 0.00 0.00 41.96 40.38 2jg8 s TYR 138 CO 0.08 0.41 -0.07 -0.47 -1.11 0.00 0.00 175.55 174.38 2jg8 s TYR 139 N -1.26 2.95 -0.04 2.71 5.04 -0.21 -1.23 117.35 125.31 2jg8 s TYR 139 Ca 0.18 -0.39 0.07 0.00 -2.44 0.00 0.00 57.07 54.49 2jg8 s TYR 139 Cb -0.10 -1.90 -0.01 0.00 0.35 0.00 0.00 41.96 40.29 2jg8 s TYR 139 CO 0.10 -0.07 -0.25 -0.06 -1.34 0.00 0.00 175.55 173.93 2jg8 s PHE 140 N 0.28 2.36 -0.08 4.97 0.40 -0.76 -0.69 117.98 124.47 2jg8 s PHE 140 Ca -0.06 -0.61 -0.19 0.00 -0.60 0.00 0.00 56.93 55.48 2jg8 s PHE 140 Cb -0.15 -1.54 0.04 0.00 0.51 0.00 0.00 43.02 41.88 2jg8 s PHE 140 CO 0.04 -0.15 0.44 0.54 0.70 0.00 0.00 175.22 176.79 2jg8 s VAL 141 N -0.33 0.03 0.07 -0.44 0.11 0.48 -1.30 120.40 119.02 2jg8 s VAL 141 Ca 0.02 -0.22 -0.00 0.00 -2.93 0.00 0.00 61.98 58.85 2jg8 s VAL 141 Cb -0.12 -0.70 -0.04 0.00 -1.53 0.00 0.00 36.38 33.98 2jg8 s VAL 141 CO 0.02 -0.12 -0.04 -0.72 -3.33 0.00 0.00 175.10 170.91 2jg8 s TYR 142 N -0.77 0.64 -0.16 1.54 -0.85 -0.54 0.14 117.35 117.36 2jg8 s TYR 142 Ca -0.08 -1.03 -0.04 0.00 -0.52 0.00 0.00 57.07 55.39 2jg8 s TYR 142 Cb -0.03 -0.43 0.07 0.00 0.38 0.00 0.00 41.96 41.94 2jg8 s TYR 142 CO 0.04 -0.32 0.15 -1.01 -1.52 0.00 0.00 175.55 172.89 2jg8 s HIS 143 N -3.84 -0.04 -0.12 -3.49 3.76 -0.19 -2.82 115.29 108.54 2jg8 s HIS 143 Ca 0.09 0.07 0.03 0.00 -0.15 0.00 0.00 55.06 55.10 2jg8 s HIS 143 Cb 0.07 -0.49 0.01 0.00 1.11 0.00 0.00 32.58 33.28 2jg8 s HIS 143 CO -0.08 -0.48 -0.21 0.00 -0.85 0.00 0.00 174.74 173.11 2jg8 s ALA 144 N 2.23 2.14 0.23 -1.40 0.00 0.39 -0.26 121.76 125.08 2jg8 s ALA 144 Ca 0.04 -1.01 -0.20 0.00 0.00 0.00 0.00 51.96 50.79 2jg8 s ALA 144 Cb -0.15 -0.92 -0.08 0.00 0.00 0.00 0.00 23.12 21.97 2jg8 s ALA 144 CO -0.09 0.04 0.74 -1.12 0.00 0.00 0.00 175.76 175.33 2jg8 s SER 145 N 0.72 7.09 0.01 0.00 0.01 -1.13 -0.00 113.70 120.39 2jg8 s SER 145 Ca -0.10 1.45 -0.23 0.00 1.31 0.00 0.00 55.95 58.38 2jg8 s SER 145 Cb -0.16 -2.43 0.05 0.00 0.21 0.00 0.00 66.02 63.69 2jg8 s SER 145 CO 0.01 0.03 0.52 -1.38 0.41 0.00 0.00 173.24 172.83 2jg8 s HIS 146 N -1.51 -0.44 0.00 2.43 -3.43 -0.78 -3.84 115.29 107.72 2jg8 s HIS 146 Ca 0.43 0.61 0.00 0.00 -0.80 0.00 0.00 55.06 55.30 2jg8 s HIS 146 Cb -0.17 0.31 0.00 0.00 -1.43 0.00 0.00 32.58 31.29 2jg8 s HIS 146 CO 0.21 -0.58 0.84 0.25 -2.00 0.00 0.00 174.74 173.45 2jg8 n THR 147 N 0.71 0.70 -4.15 -5.38 -2.24 -1.15 -1.94 114.28 100.83 2jg8 n THR 147 Ca -0.19 -0.74 -0.16 0.00 -2.27 0.00 0.00 64.05 60.69 2jg8 n THR 147 Cb 0.59 0.68 -0.05 0.00 -2.10 0.00 0.00 70.33 69.44 2jg8 n THR 147 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jg8 n ALA 148 N -0.35 0.21 -1.71 6.98 0.00 -1.26 -1.46 120.51 122.92 2jg8 n ALA 148 Ca 0.00 -1.67 -0.43 0.00 0.00 0.00 0.00 53.44 51.34 2jg8 n ALA 148 Cb 0.28 1.35 -0.02 0.00 0.00 0.00 0.00 19.45 21.05 2jg8 n ALA 148 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2jg8 n ASN 149 N -1.73 3.27 -3.71 0.00 4.13 -1.23 -4.48 115.26 111.51 2jg8 n ASN 149 Ca 0.04 1.15 -0.15 0.00 1.68 0.00 0.00 54.58 57.30 2jg8 n ASN 149 Cb 0.55 -1.51 -0.15 0.00 -1.54 0.00 0.00 39.78 37.13 2jg8 n ASN 149 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2jg8 s LEU 150 N -0.27 0.38 -0.13 3.41 2.96 -0.39 -2.32 118.68 122.32 2jg8 s LEU 150 Ca 0.65 0.29 0.01 0.00 -0.22 0.00 0.00 54.13 54.86 2jg8 s LEU 150 Cb -0.57 0.27 -0.01 0.00 0.50 0.00 0.00 46.19 46.39 2jg8 s LEU 150 CO 0.50 -0.19 -0.17 0.00 -1.32 0.00 0.00 176.35 175.17 2jg8 s VAL 152 N 0.51 3.79 -0.12 0.00 1.01 -0.48 -3.76 120.40 121.36 2jg8 s VAL 152 Ca -0.11 -0.40 -0.00 0.00 0.00 0.00 0.00 61.98 61.47 2jg8 s VAL 152 Cb -0.16 -2.65 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 2jg8 s VAL 152 CO 0.05 0.50 -0.11 -0.76 0.00 0.00 0.00 175.10 174.78 2jg8 s LEU 153 N 0.31 2.86 -0.20 3.92 1.02 0.10 -1.76 118.68 124.93 2jg8 s LEU 153 Ca -0.05 -0.25 -0.10 0.00 0.02 0.00 0.00 54.13 53.75 2jg8 s LEU 153 Cb -0.14 -1.65 -0.05 0.00 0.02 0.00 0.00 46.19 44.37 2jg8 s LEU 153 CO 0.03 0.20 0.13 -0.22 0.02 0.00 0.00 176.35 176.50 2jg8 s LEU 154 N 0.17 4.17 -0.06 1.79 0.20 0.02 -0.33 118.68 124.64 2jg8 s LEU 154 Ca -0.06 0.21 0.02 0.00 0.69 0.00 0.00 54.13 54.99 2jg8 s LEU 154 Cb -0.15 -2.08 -0.03 0.00 -0.43 0.00 0.00 46.19 43.51 2jg8 s LEU 154 CO 0.04 0.17 -0.12 -0.31 -0.29 0.00 0.00 176.35 175.85 2jg8 s TYR 155 N 0.40 2.78 -0.18 5.38 1.51 0.97 -0.23 117.35 127.98 2jg8 s TYR 155 Ca 0.08 -0.15 0.00 0.00 -1.01 0.00 0.00 57.07 55.99 2jg8 s TYR 155 Cb -0.11 -1.68 0.04 0.00 -0.11 0.00 0.00 41.96 40.10 2jg8 s TYR 155 CO -0.01 0.19 -0.10 0.50 -1.11 0.00 0.00 175.55 175.02 2jg8 s ARG 156 N -0.65 1.96 -1.54 -0.62 3.52 0.21 -1.59 118.95 120.24 2jg8 s ARG 156 Ca 0.10 -0.69 -0.07 0.00 -0.13 0.00 0.00 55.73 54.94 2jg8 s ARG 156 Cb -0.11 -2.23 0.06 0.00 -1.56 0.00 0.00 34.95 31.11 2jg8 s ARG 156 CO 0.01 -0.37 0.53 0.43 -0.81 0.00 0.00 175.30 175.08 2jg8 n SER 157 N 4.75 -1.40 0.00 -2.12 7.64 0.57 -1.36 113.62 121.71 2jg8 n SER 157 Ca -0.15 -1.03 0.00 0.00 1.01 0.00 0.00 58.87 58.70 2jg8 n SER 157 Cb 0.48 -2.81 0.00 0.00 -1.01 0.00 0.00 64.21 60.87 2jg8 n SER 157 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jg8 n GLY 158 N -1.81 1.63 3.62 0.23 0.00 -1.26 -5.03 105.19 102.57 2jg8 n GLY 158 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 2jg8 n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jg8 s VAL 159 N -2.37 4.43 -0.18 1.61 1.01 -0.46 -5.07 120.40 119.38 2jg8 s VAL 159 Ca 0.00 -0.17 -0.29 0.00 0.00 0.00 0.00 61.98 61.51 2jg8 s VAL 159 Cb 0.00 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 2jg8 s VAL 159 CO 0.00 0.51 1.41 -0.75 0.00 0.00 0.00 175.10 176.27 2jg8 s LYS 160 N -0.02 4.09 -0.17 2.72 2.20 -1.26 -0.62 119.74 126.67 2jg8 s LYS 160 Ca 0.04 1.69 -0.16 0.00 -0.36 0.00 0.00 55.97 57.19 2jg8 s LYS 160 Cb -0.13 -3.88 -0.12 0.00 -1.51 0.00 0.00 37.83 32.20 2jg8 s LYS 160 CO 0.02 -0.91 0.06 0.28 -0.36 0.00 0.00 175.35 174.43 2jg8 h VAL 161 N 5.71 0.52 -3.94 4.02 2.07 -0.97 -3.48 116.25 120.18 2jg8 h VAL 161 Ca -0.30 -1.63 -0.21 0.00 0.82 0.00 0.00 66.70 65.38 2jg8 h VAL 161 Cb 1.13 1.22 -0.22 0.00 -1.52 0.00 0.00 31.29 31.89 2jg8 h VAL 161 CO 0.98 0.18 -0.71 0.68 0.02 0.00 0.00 177.57 178.72 2jg8 s VAL 162 N -2.27 0.20 -0.03 2.57 -7.23 -1.20 -5.01 120.40 107.43 2jg8 s VAL 162 Ca -0.21 -0.77 0.05 0.00 -1.81 0.00 0.00 61.98 59.23 2jg8 s VAL 162 Cb 0.04 -0.30 -0.01 0.00 0.56 0.00 0.00 36.38 36.67 2jg8 s VAL 162 CO 0.41 -0.37 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.77 2jg8 s THR 163 N -1.15 1.44 -0.02 5.32 2.01 -1.26 -0.80 115.64 121.16 2jg8 s THR 163 Ca -0.11 -0.74 0.01 0.00 0.31 0.00 0.00 61.69 61.15 2jg8 s THR 163 Cb -0.08 -1.22 0.02 0.00 0.01 0.00 0.00 72.50 71.23 2jg8 s THR 163 CO -0.01 0.41 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.96 2jg8 s PHE 164 N -0.16 0.39 0.05 4.92 0.40 -0.72 -5.01 117.98 117.84 2jg8 s PHE 164 Ca 0.01 -0.05 0.08 0.00 -0.60 0.00 0.00 56.93 56.37 2jg8 s PHE 164 Cb -0.10 -0.39 -0.03 0.00 0.51 0.00 0.00 43.02 43.01 2jg8 s PHE 164 CO 0.01 -0.10 -0.23 0.00 0.70 0.00 0.00 175.22 175.60 2jg8 s GLY 166 N -1.22 0.64 -0.13 0.00 0.00 0.70 -4.99 107.32 102.32 2jg8 s GLY 166 Ca 0.09 -0.33 -0.01 0.00 0.00 0.00 0.00 44.72 44.48 2jg8 s GLY 166 CO 0.02 0.08 -0.10 0.30 0.00 0.00 0.00 173.10 173.40 2jg8 s HIS 167 N 0.51 2.87 0.21 1.90 3.76 -1.26 -1.26 115.29 122.02 2jg8 s HIS 167 Ca -0.09 -0.46 -0.19 0.00 -0.15 0.00 0.00 55.06 54.17 2jg8 s HIS 167 Cb -0.13 -1.85 0.03 0.00 1.11 0.00 0.00 32.58 31.74 2jg8 s HIS 167 CO 0.02 -0.09 0.57 -0.08 -0.85 0.00 0.00 174.74 174.31 2jg8 s THR 168 N 0.18 0.01 -0.16 1.30 -1.32 -1.26 -4.98 115.64 109.42 2jg8 s THR 168 Ca -0.06 -0.78 -0.04 0.00 -1.21 0.00 0.00 61.69 59.60 2jg8 s THR 168 Cb -0.15 -1.65 0.05 0.00 -1.51 0.00 0.00 72.50 69.25 2jg8 s THR 168 CO 0.04 -0.07 0.07 -0.55 -2.21 0.00 0.00 174.62 171.90 2jg8 s SER 169 N -2.88 2.31 0.00 8.08 0.15 -1.26 -3.57 113.70 116.52 2jg8 s SER 169 Ca 0.10 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 56.19 2jg8 s SER 169 Cb -0.02 -0.33 0.00 0.00 -1.71 0.00 0.00 66.02 63.96 2jg8 s SER 169 CO -0.01 -0.32 0.00 0.29 1.20 0.00 0.00 173.24 174.40 2jg8 n LYS 170 N 5.22 0.00 -3.49 5.44 5.02 -0.54 -4.95 118.16 124.86 2jg8 n LYS 170 Ca -0.07 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 55.99 2jg8 n LYS 170 Cb 0.49 -3.58 -0.01 0.00 -0.02 0.00 0.00 35.03 31.90 2jg8 n LYS 170 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2jg8 s THR 171 N -0.28 5.13 -0.11 -0.18 -4.23 -1.26 -4.82 115.64 109.90 2jg8 s THR 171 Ca 0.00 -0.55 -0.14 0.00 -1.18 0.00 0.00 61.69 59.82 2jg8 s THR 171 Cb 0.00 -3.86 -0.05 0.00 1.34 0.00 0.00 72.50 69.93 2jg8 s THR 171 CO 0.00 -0.51 0.34 0.21 -0.54 0.00 0.00 174.62 174.12 2jg8 s ASN 172 N -4.00 6.56 0.21 3.99 2.47 -1.26 -4.37 114.94 118.54 2jg8 s ASN 172 Ca 0.39 0.67 0.01 0.00 0.42 0.00 0.00 52.86 54.34 2jg8 s ASN 172 Cb -0.10 -2.21 -0.05 0.00 -1.45 0.00 0.00 41.25 37.45 2jg8 s ASN 172 CO 0.35 0.17 0.07 -1.10 -3.72 0.00 0.00 177.10 172.86 2jg8 s GLN 173 N -0.02 1.23 -0.22 0.43 -0.21 -0.82 -4.99 119.66 115.06 2jg8 s GLN 173 Ca 0.20 -1.63 -0.06 0.00 0.02 0.00 0.00 55.36 53.89 2jg8 s GLN 173 Cb -0.14 -0.12 -0.02 0.00 1.00 0.00 0.00 33.01 33.72 2jg8 s GLN 173 CO 0.07 -0.25 0.02 0.08 -2.12 0.00 0.00 175.29 173.09 2jg8 s VAL 174 N -3.82 3.98 -0.18 1.09 1.01 -1.26 -1.86 120.40 119.36 2jg8 s VAL 174 Ca 0.32 -0.29 -0.17 0.00 0.00 0.00 0.00 61.98 61.83 2jg8 s VAL 174 Cb 0.07 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 2jg8 s VAL 174 CO 0.09 0.40 0.46 0.21 0.00 0.00 0.00 175.10 176.26 2jg8 s ASN 175 N 1.25 6.54 0.14 3.32 3.84 0.99 -4.87 114.94 126.15 2jg8 s ASN 175 Ca 0.04 0.65 0.08 0.00 0.21 0.00 0.00 52.86 53.83 2jg8 s ASN 175 Cb -0.15 -2.27 -0.04 0.00 -0.55 0.00 0.00 41.25 38.25 2jg8 s ASN 175 CO 0.01 -0.10 -0.18 -0.55 -2.79 0.00 0.00 177.10 173.49 2jg8 s SER 176 N 0.99 2.52 -0.04 -4.21 0.15 -1.26 -0.46 113.70 111.38 2jg8 s SER 176 Ca 0.23 -0.80 -0.30 0.00 0.70 0.00 0.00 55.95 55.78 2jg8 s SER 176 Cb -0.15 -0.14 0.11 0.00 -1.71 0.00 0.00 66.02 64.13 2jg8 s SER 176 CO 0.09 -0.02 0.94 -0.83 1.20 0.00 0.00 173.24 174.61 2jg8 s GLY 177 N -2.40 -0.42 -0.20 9.45 0.00 -1.13 -4.91 107.32 107.71 2jg8 s GLY 177 Ca 0.12 1.20 -0.35 0.00 0.00 0.00 0.00 44.72 45.68 2jg8 s GLY 177 CO 0.05 0.44 1.22 -0.32 0.00 0.00 0.00 173.10 174.49 2jg8 s GLY 178 N -2.29 -0.27 -0.16 0.20 0.00 -1.26 -1.46 107.32 102.07 2jg8 s GLY 178 Ca 0.05 1.68 -0.30 0.00 0.00 0.00 0.00 44.72 46.15 2jg8 s GLY 178 CO -0.07 0.58 0.97 0.54 0.00 0.00 0.00 173.10 175.11 2jg8 s VAL 179 N -2.31 0.00 -0.11 1.40 0.11 -0.42 -5.00 120.40 114.07 2jg8 s VAL 179 Ca 0.09 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 59.04 2jg8 s VAL 179 Cb -0.01 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.79 2jg8 s VAL 179 CO -0.05 0.00 0.22 -0.76 -3.33 0.00 0.00 175.10 171.19 2jg8 s LEU 180 N -0.97 4.35 -0.02 2.54 1.43 -1.26 -1.83 118.68 122.92 2jg8 s LEU 180 Ca -0.02 0.54 -0.00 0.00 -1.03 0.00 0.00 54.13 53.62 2jg8 s LEU 180 Cb -0.01 -2.23 0.02 0.00 0.03 0.00 0.00 46.19 44.00 2jg8 s LEU 180 CO 0.02 0.30 0.04 -0.76 0.23 0.00 0.00 176.35 176.17 2jg8 s LEU 181 N -0.56 1.25 -0.46 1.79 1.43 -0.36 -4.98 118.68 116.78 2jg8 s LEU 181 Ca 0.16 0.06 -0.23 0.00 -1.03 0.00 0.00 54.13 53.09 2jg8 s LEU 181 Cb -0.13 -0.01 0.03 0.00 0.03 0.00 0.00 46.19 46.11 2jg8 s LEU 181 CO 0.05 -0.10 0.80 -0.60 0.23 0.00 0.00 176.35 176.73 2jg8 s ARG 182 N 0.83 3.39 0.03 1.70 3.52 -1.26 -0.66 118.95 126.50 2jg8 s ARG 182 Ca -0.07 -0.15 0.03 0.00 -0.13 0.00 0.00 55.73 55.41 2jg8 s ARG 182 Cb -0.10 -3.96 -0.04 0.00 -1.56 0.00 0.00 34.95 29.30 2jg8 s ARG 182 CO -0.03 -1.17 -0.01 -0.51 -0.81 0.00 0.00 175.30 172.78 2jg8 s LEU 183 N 3.36 3.46 0.25 -0.88 1.43 0.57 -4.94 118.68 121.92 2jg8 s LEU 183 Ca 0.30 -0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.30 2jg8 s LEU 183 Cb -0.12 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 2jg8 s LEU 183 CO 0.22 0.24 0.46 -1.10 0.23 0.00 0.00 176.35 176.40 2jg8 s GLN 184 N -1.81 3.54 0.14 1.70 1.11 -1.26 -1.54 119.66 121.55 2jg8 s GLN 184 Ca 0.21 -0.26 -0.34 0.00 0.01 0.00 0.00 55.36 54.98 2jg8 s GLN 184 Cb -0.12 -2.76 -0.16 0.00 -1.01 0.00 0.00 33.01 28.96 2jg8 s GLN 184 CO 0.13 0.31 1.24 0.28 0.01 0.00 0.00 175.29 177.26 2jg8 n VAL 185 N -0.92 0.57 0.00 1.09 0.31 -1.26 -2.10 118.33 116.02 2jg8 n VAL 185 Ca -0.04 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 2jg8 n VAL 185 Cb 0.54 -0.87 0.00 0.00 -0.91 0.00 0.00 33.84 32.61 2jg8 n VAL 185 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2jg8 n GLY 186 N 2.22 1.50 3.76 2.92 0.00 0.05 -4.97 105.19 110.67 2jg8 n GLY 186 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2jg8 n GLY 186 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jg8 s GLU 187 N -0.55 4.34 -0.10 1.61 2.02 -0.89 -4.69 118.70 120.43 2jg8 s GLU 187 Ca 0.00 2.23 -0.04 0.00 0.02 0.00 0.00 54.97 57.18 2jg8 s GLU 187 Cb 0.00 -3.08 -0.04 0.00 0.10 0.00 0.00 34.13 31.11 2jg8 s GLU 187 CO 0.00 -0.24 0.04 -1.21 0.02 0.00 0.00 175.26 173.87 2jg8 s GLU 188 N -1.46 3.18 -0.02 1.61 2.02 -1.26 -0.68 118.70 122.09 2jg8 s GLU 188 Ca 0.51 -0.34 0.05 0.00 0.02 0.00 0.00 54.97 55.21 2jg8 s GLU 188 Cb -0.40 -2.92 -0.01 0.00 0.10 0.00 0.00 34.13 30.90 2jg8 s GLU 188 CO 0.51 0.68 -0.17 0.08 0.02 0.00 0.00 175.26 176.37 2jg8 s VAL 189 N -0.80 1.38 0.24 2.63 1.01 -0.37 -0.31 120.40 124.19 2jg8 s VAL 189 Ca 0.12 -0.74 -0.20 0.00 0.00 0.00 0.00 61.98 61.17 2jg8 s VAL 189 Cb -0.12 -1.16 0.03 0.00 0.00 0.00 0.00 36.38 35.13 2jg8 s VAL 189 CO 0.03 0.39 0.63 -1.66 0.00 0.00 0.00 175.10 174.49 2jg8 s TRP 190 N -0.31 -0.15 0.06 5.22 -2.14 -0.62 -0.96 118.94 120.04 2jg8 s TRP 190 Ca 0.04 -0.24 0.05 0.00 2.66 0.00 0.00 56.10 58.62 2jg8 s TRP 190 Cb -0.08 0.56 -0.04 0.00 -3.10 0.00 0.00 33.47 30.82 2jg8 s TRP 190 CO -0.00 -1.09 -0.06 -0.51 -2.66 0.00 0.00 176.95 172.63 2jg8 s LEU 191 N -2.90 3.22 0.13 -4.66 1.43 -1.26 -0.02 118.68 114.62 2jg8 s LEU 191 Ca 0.11 -0.23 -0.02 0.00 -1.03 0.00 0.00 54.13 52.96 2jg8 s LEU 191 Cb -0.04 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 2jg8 s LEU 191 CO 0.03 0.22 0.07 0.00 0.23 0.00 0.00 176.35 176.89 2jg8 s ALA 192 N -1.17 0.78 0.40 4.21 0.00 0.56 0.14 121.76 126.69 2jg8 s ALA 192 Ca 0.21 -1.41 0.07 0.00 0.00 0.00 0.00 51.96 50.83 2jg8 s ALA 192 Cb -0.11 0.83 -0.06 0.00 0.00 0.00 0.00 23.12 23.78 2jg8 s ALA 192 CO 0.13 -0.49 0.13 0.14 0.00 0.00 0.00 175.76 175.66 2jg8 s VAL 193 N -4.03 2.27 0.00 0.00 -7.23 -0.23 0.01 120.40 111.19 2jg8 s VAL 193 Ca 0.22 -1.79 0.00 0.00 -1.81 0.00 0.00 61.98 58.60 2jg8 s VAL 193 Cb 0.07 -2.98 0.00 0.00 0.56 0.00 0.00 36.38 34.03 2jg8 s VAL 193 CO 0.01 -0.02 0.00 -0.46 -0.31 0.00 0.00 175.10 174.32 2jg8 n ASN 194 N -1.15 0.00 0.18 4.85 0.23 -1.25 -2.90 115.26 115.23 2jg8 n ASN 194 Ca -0.02 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 54.15 2jg8 n ASN 194 Cb 0.65 0.00 0.20 0.00 -2.08 0.00 0.00 39.78 38.55 2jg8 n ASN 194 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2jg8 h ASP 195 N 0.00 0.00 -3.12 0.53 3.32 -1.93 0.54 116.42 115.76 2jg8 h ASP 195 Ca 0.00 -0.01 -0.71 0.00 0.02 0.00 0.00 57.03 56.34 2jg8 h ASP 195 Cb 0.00 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 39.35 2jg8 h ASP 195 CO 0.00 0.00 -0.01 -0.31 -1.72 0.00 0.00 179.24 177.20 2jg8 s TYR 196 N -3.20 3.08 0.00 4.55 4.12 -1.26 -4.91 117.35 119.73 2jg8 s TYR 196 Ca 0.07 -0.83 0.00 0.00 0.02 0.00 0.00 57.07 56.33 2jg8 s TYR 196 Cb 0.07 -3.68 0.00 0.00 -1.52 0.00 0.00 41.96 36.83 2jg8 s TYR 196 CO 0.67 -1.09 0.54 2.48 0.02 0.00 0.00 175.55 178.17 2jg8 n TYR 197 N 5.99 0.00 -2.10 2.71 0.18 -1.16 -1.46 117.16 121.33 2jg8 n TYR 197 Ca -0.09 -0.14 -0.42 0.00 1.88 0.00 0.00 57.90 59.13 2jg8 n TYR 197 Cb 0.43 -0.01 -0.03 0.00 -0.38 0.00 0.00 39.34 39.35 2jg8 n TYR 197 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 2jg8 s ASP 198 N -0.27 6.75 -0.23 9.48 -1.08 -0.98 -4.04 116.67 126.30 2jg8 s ASP 198 Ca 0.00 2.35 0.16 0.00 -0.52 0.00 0.00 52.55 54.54 2jg8 s ASP 198 Cb 0.00 -2.58 0.47 0.00 -1.46 0.00 0.00 42.92 39.35 2jg8 s ASP 198 CO 0.00 -0.74 1.16 0.23 0.52 0.00 0.00 175.17 176.34 2jg8 n MET 199 N 4.62 2.21 -3.26 4.34 2.81 -1.26 -4.60 117.12 121.98 2jg8 n MET 199 Ca 0.13 -3.55 -0.46 0.00 -1.81 0.00 0.00 57.70 52.01 2jg8 n MET 199 Cb 0.42 -1.66 -0.04 0.00 -0.71 0.00 0.00 33.22 31.22 2jg8 n MET 199 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2jg8 s VAL 200 N -3.56 5.26 0.47 2.03 -7.23 -1.25 -4.79 120.40 111.33 2jg8 s VAL 200 Ca 0.38 -1.76 -0.18 0.00 -1.81 0.00 0.00 61.98 58.61 2jg8 s VAL 200 Cb 0.37 -4.44 -0.09 0.00 0.56 0.00 0.00 36.38 32.78 2jg8 s VAL 200 CO -0.03 -1.01 0.96 -0.83 -0.31 0.00 0.00 175.10 173.88 2jg8 s GLY 201 N 3.10 2.19 1.16 2.32 0.00 -1.26 -2.91 107.32 111.92 2jg8 s GLY 201 Ca 0.11 0.24 -0.15 0.00 0.00 0.00 0.00 44.72 44.93 2jg8 s GLY 201 CO -0.01 0.52 1.04 -0.26 0.00 0.00 0.00 173.10 174.38 2jg8 s ILE 202 N -2.44 1.86 -0.02 0.90 -4.36 -1.26 -4.82 121.20 111.06 2jg8 s ILE 202 Ca 0.60 0.00 -0.36 0.00 -0.26 0.00 0.00 60.65 60.63 2jg8 s ILE 202 Cb -0.10 -2.24 -0.14 0.00 1.25 0.00 0.00 42.46 41.23 2jg8 s ILE 202 CO 0.24 0.00 1.63 0.00 0.24 0.00 0.00 174.94 177.06 2jg8 n GLN 203 N -4.80 1.68 -0.56 0.37 6.02 -1.26 -1.73 117.38 117.10 2jg8 n GLN 203 Ca 0.05 0.61 0.00 0.00 -0.01 0.00 0.00 57.00 57.66 2jg8 n GLN 203 Cb 0.57 -2.35 0.00 0.00 1.02 0.00 0.00 30.24 29.48 2jg8 n GLN 203 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jg8 n GLY 204 N 3.62 0.72 2.91 1.08 0.00 -1.26 -5.04 105.19 107.22 2jg8 n GLY 204 Ca 0.21 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 2jg8 n GLY 204 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jg8 s SER 205 N -2.02 2.79 0.48 1.61 0.15 -0.70 -5.13 113.70 110.87 2jg8 s SER 205 Ca 0.00 -0.62 0.03 0.00 0.70 0.00 0.00 55.95 56.06 2jg8 s SER 205 Cb 0.00 -0.96 0.03 0.00 -1.71 0.00 0.00 66.02 63.38 2jg8 s SER 205 CO 0.00 -0.16 0.24 0.47 1.20 0.00 0.00 173.24 174.99 2jg8 n ASP 206 N 4.86 2.81 -3.97 5.45 10.43 -1.26 -4.32 116.55 130.55 2jg8 n ASP 206 Ca -0.13 -2.80 -0.24 0.00 2.57 0.00 0.00 54.79 54.19 2jg8 n ASP 206 Cb 0.48 0.09 -0.17 0.00 1.84 0.00 0.00 41.12 43.36 2jg8 n ASP 206 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 2jg8 s SER 207 N -3.76 1.73 0.09 -2.24 0.01 -1.26 -2.82 113.70 105.44 2jg8 s SER 207 Ca 0.18 -0.27 0.05 0.00 1.31 0.00 0.00 55.95 57.23 2jg8 s SER 207 Cb -0.01 -0.76 -0.03 0.00 0.21 0.00 0.00 66.02 65.42 2jg8 s SER 207 CO 0.12 -0.02 -0.14 -0.69 0.41 0.00 0.00 173.24 172.92 2jg8 s VAL 208 N 0.95 1.19 -0.05 3.43 1.01 0.64 -2.18 120.40 125.38 2jg8 s VAL 208 Ca -0.10 -1.42 -0.01 0.00 0.00 0.00 0.00 61.98 60.45 2jg8 s VAL 208 Cb -0.15 -1.21 0.03 0.00 0.00 0.00 0.00 36.38 35.05 2jg8 s VAL 208 CO 0.00 -0.27 0.03 0.12 0.00 0.00 0.00 175.10 174.98 2jg8 s PHE 209 N -1.51 0.33 0.12 5.22 5.36 -0.68 -1.02 117.98 125.80 2jg8 s PHE 209 Ca 0.01 0.06 0.09 0.00 -0.96 0.00 0.00 56.93 56.13 2jg8 s PHE 209 Cb -0.09 -0.60 -0.04 0.00 -0.34 0.00 0.00 43.02 41.96 2jg8 s PHE 209 CO 0.02 -0.24 -0.21 -1.12 -1.46 0.00 0.00 175.22 172.21 2jg8 s SER 210 N 1.97 2.72 -0.17 6.13 0.01 0.12 -1.79 113.70 122.69 2jg8 s SER 210 Ca 0.03 -0.74 -0.17 0.00 1.31 0.00 0.00 55.95 56.39 2jg8 s SER 210 Cb -0.12 -0.16 0.05 0.00 0.21 0.00 0.00 66.02 65.99 2jg8 s SER 210 CO -0.04 0.06 0.47 -0.83 0.41 0.00 0.00 173.24 173.31 2jg8 s GLY 211 N -2.12 -0.35 -0.01 3.44 0.00 -1.02 -0.39 107.32 106.87 2jg8 s GLY 211 Ca 0.10 1.29 -0.12 0.00 0.00 0.00 0.00 44.72 45.98 2jg8 s GLY 211 CO 0.05 1.10 0.25 -0.11 0.00 0.00 0.00 173.10 174.39 2jg8 s PHE 212 N 0.16 -0.11 -0.17 1.90 -0.12 0.14 -1.30 117.98 118.48 2jg8 s PHE 212 Ca -0.01 0.13 -0.29 0.00 -0.05 0.00 0.00 56.93 56.71 2jg8 s PHE 212 Cb -0.03 0.05 -0.00 0.00 -0.63 0.00 0.00 43.02 42.40 2jg8 s PHE 212 CO 0.01 -0.35 1.05 -1.17 -0.05 0.00 0.00 175.22 174.70 2jg8 s LEU 213 N -1.34 4.17 -0.23 -1.99 2.96 0.36 -1.04 118.68 121.57 2jg8 s LEU 213 Ca -0.14 1.48 -0.16 0.00 -0.22 0.00 0.00 54.13 55.09 2jg8 s LEU 213 Cb -0.06 -3.55 -0.12 0.00 0.50 0.00 0.00 46.19 42.97 2jg8 s LEU 213 CO 0.03 -0.59 -0.19 0.18 -1.32 0.00 0.00 176.35 174.47 2jg8 n LEU 214 N 5.79 1.91 -3.92 -0.68 4.77 0.86 -4.77 117.00 120.96 2jg8 n LEU 214 Ca 0.11 0.40 -0.30 0.00 -0.03 0.00 0.00 56.01 56.18 2jg8 n LEU 214 Cb 0.47 -0.85 -0.15 0.00 -2.33 0.00 0.00 43.42 40.56 2jg8 n LEU 214 CO 0.52 0.21 -0.39 -0.36 -1.33 0.00 0.00 177.39 176.05 2jg8 s PHE 215 N -2.52 2.58 0.50 -1.77 0.08 -1.12 -4.98 117.98 110.74 2jg8 s PHE 215 Ca -0.32 -2.03 -0.22 0.00 0.12 0.00 0.00 56.93 54.48 2jg8 s PHE 215 Cb 0.09 -1.90 -0.06 0.00 -0.57 0.00 0.00 43.02 40.58 2jg8 s PHE 215 CO 0.47 -0.83 1.22 -2.14 -0.10 0.00 0.00 175.22 173.84 2jg8 s PRO 216 N 1.33 3.51 0.00 0.24 0.02 -1.26 -0.46 135.00 138.38 2jg8 s PRO 216 Ca 0.01 1.90 0.00 0.00 0.02 0.00 0.00 61.00 62.93 2jg8 s PRO 216 Cb -0.19 -2.32 0.00 0.00 0.02 0.00 0.00 34.50 32.02 2jg8 s PRO 216 CO -0.10 -0.79 0.18 -0.40 -0.33 0.00 0.00 177.00 175.56