#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jg8 s PRO 91 N 0.00 4.42 -0.30 2.61 0.04 -1.26 -4.98 135.00 135.52 2jg8 s PRO 91 Ca 0.00 2.11 0.17 0.00 0.04 0.00 0.00 61.00 63.33 2jg8 s PRO 91 Cb 0.00 -3.11 0.48 0.00 0.04 0.00 0.00 34.50 31.90 2jg8 s PRO 91 CO 0.00 -0.12 1.06 0.54 0.04 0.00 0.00 177.00 178.52 2jg8 n ARG 92 N 1.18 1.92 -2.24 4.56 1.74 -1.26 -5.09 116.66 117.47 2jg8 n ARG 92 Ca 0.01 -3.60 -0.43 0.00 -0.77 0.00 0.00 57.85 53.06 2jg8 n ARG 92 Cb 0.42 -1.62 -0.02 0.00 -1.02 0.00 0.00 32.46 30.22 2jg8 n ARG 92 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 2jg8 s PRO 93 N -3.51 4.17 -0.23 5.56 0.02 -1.26 -4.59 135.00 135.16 2jg8 s PRO 93 Ca 0.32 1.85 -0.21 0.00 0.02 0.00 0.00 61.00 62.98 2jg8 s PRO 93 Cb 0.39 -3.88 0.06 0.00 0.02 0.00 0.00 34.50 31.09 2jg8 s PRO 93 CO -0.02 -0.82 0.62 0.00 -0.33 0.00 0.00 177.00 176.45 2jg8 s ALA 94 N 3.88 -1.53 0.08 -1.55 0.00 -1.14 -1.76 121.76 119.73 2jg8 s ALA 94 Ca 0.63 1.76 -0.09 0.00 0.00 0.00 0.00 51.96 54.27 2jg8 s ALA 94 Cb -0.26 -1.03 -0.00 0.00 0.00 0.00 0.00 23.12 21.83 2jg8 s ALA 94 CO 0.22 -0.29 0.19 -0.59 0.00 0.00 0.00 175.76 175.28 2jg8 s PHE 95 N 0.40 0.13 -0.04 0.00 -0.12 -0.24 -0.72 117.98 117.39 2jg8 s PHE 95 Ca -0.01 -0.53 -0.03 0.00 -0.05 0.00 0.00 56.93 56.31 2jg8 s PHE 95 Cb -0.04 -0.06 0.02 0.00 -0.63 0.00 0.00 43.02 42.31 2jg8 s PHE 95 CO -0.00 -0.52 0.11 -1.12 -0.05 0.00 0.00 175.22 173.64 2jg8 s SER 96 N -2.71 -0.11 0.02 1.98 0.01 -0.40 -1.76 113.70 110.73 2jg8 s SER 96 Ca 0.03 0.23 0.01 0.00 1.31 0.00 0.00 55.95 57.52 2jg8 s SER 96 Cb 0.04 0.21 -0.02 0.00 0.21 0.00 0.00 66.02 66.46 2jg8 s SER 96 CO -0.10 -0.06 -0.04 0.00 0.41 0.00 0.00 173.24 173.46 2jg8 s ALA 97 N 0.27 0.24 0.36 1.44 0.00 0.18 -0.75 121.76 123.50 2jg8 s ALA 97 Ca -0.02 -0.58 0.05 0.00 0.00 0.00 0.00 51.96 51.41 2jg8 s ALA 97 Cb -0.03 0.10 -0.06 0.00 0.00 0.00 0.00 23.12 23.13 2jg8 s ALA 97 CO -0.01 -0.10 0.04 0.96 0.00 0.00 0.00 175.76 176.65 2jg8 s ILE 98 N -1.28 1.42 -0.00 0.00 -4.36 0.88 -0.68 121.20 117.18 2jg8 s ILE 98 Ca -0.13 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 58.14 2jg8 s ILE 98 Cb -0.09 -2.81 -0.05 0.00 1.25 0.00 0.00 42.46 40.75 2jg8 s ILE 98 CO -0.01 0.00 0.35 -0.13 0.24 0.00 0.00 174.94 175.40 2jg8 s ARG 99 N -3.82 3.79 0.00 0.37 0.52 -1.04 -1.56 118.95 117.20 2jg8 s ARG 99 Ca 0.34 0.25 0.00 0.00 -0.52 0.00 0.00 55.73 55.80 2jg8 s ARG 99 Cb 0.09 -3.16 0.00 0.00 0.52 0.00 0.00 34.95 32.40 2jg8 s ARG 99 CO 0.16 0.68 0.00 -2.13 0.02 0.00 0.00 175.30 174.02 2jg8 n ARG 100 N 1.61 0.00 -3.06 3.54 0.63 -1.26 -4.74 116.66 113.38 2jg8 n ARG 100 Ca -0.14 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.50 2jg8 n ARG 100 Cb 0.53 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.39 2jg8 n ARG 100 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2jg8 n ASN 101 N -1.85 4.69 -4.76 6.15 3.02 -1.26 -4.88 115.26 116.37 2jg8 n ASN 101 Ca 0.00 -3.60 -0.40 0.00 -0.03 0.00 0.00 54.58 50.54 2jg8 n ASN 101 Cb 0.00 -0.70 -0.04 0.00 -0.61 0.00 0.00 39.78 38.44 2jg8 n ASN 101 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2jg8 s PRO 102 N -3.23 4.56 0.34 3.52 0.04 -1.26 -4.91 135.00 134.06 2jg8 s PRO 102 Ca 0.44 1.90 -0.29 0.00 0.04 0.00 0.00 61.00 63.09 2jg8 s PRO 102 Cb 0.22 -3.17 -0.11 0.00 0.04 0.00 0.00 34.50 31.48 2jg8 s PRO 102 CO -0.09 0.09 1.52 -1.25 0.04 0.00 0.00 177.00 177.32 2jg8 s PRO 103 N -1.35 4.12 0.00 0.56 0.04 -1.26 -5.02 135.00 132.09 2jg8 s PRO 103 Ca 0.46 2.56 0.00 0.00 0.04 0.00 0.00 61.00 64.07 2jg8 s PRO 103 Cb -0.34 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.21 2jg8 s PRO 103 CO 0.43 -0.56 0.00 0.00 0.04 0.00 0.00 177.00 176.91 2jg8 n MET 104 N 1.19 3.73 -1.27 4.56 0.00 -1.26 -4.71 117.12 119.36 2jg8 n MET 104 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.74 2jg8 n MET 104 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.61 2jg8 n MET 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2jg8 n GLY 105 N 5.00 -4.03 0.50 3.17 0.00 -1.26 -5.01 105.19 103.56 2jg8 n GLY 105 Ca 0.00 -0.88 0.07 0.00 0.00 0.00 0.00 46.02 45.21 2jg8 n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jg8 n GLY 106 N -1.78 -1.82 0.30 -0.02 0.00 -1.26 -4.63 105.19 95.99 2jg8 n GLY 106 Ca 0.00 -1.39 0.11 0.00 0.00 0.00 0.00 46.02 44.74 2jg8 n GLY 106 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jg8 n ASN 107 N -2.60 1.61 -4.70 1.61 3.02 -1.26 -4.87 115.26 108.07 2jg8 n ASN 107 Ca -0.00 -1.29 -0.42 0.00 -0.03 0.00 0.00 54.58 52.83 2jg8 n ASN 107 Cb 0.23 0.65 -0.03 0.00 -0.61 0.00 0.00 39.78 40.03 2jg8 n ASN 107 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jg8 s VAL 108 N -2.68 4.53 -0.78 2.41 1.01 -1.26 -0.11 120.40 123.52 2jg8 s VAL 108 Ca 0.15 1.82 -0.25 0.00 0.00 0.00 0.00 61.98 63.69 2jg8 s VAL 108 Cb 0.17 -4.17 0.05 0.00 0.00 0.00 0.00 36.38 32.43 2jg8 s VAL 108 CO 0.68 0.09 1.24 -0.69 0.00 0.00 0.00 175.10 176.42 2jg8 s VAL 109 N 1.42 3.92 -0.34 2.92 1.01 -0.10 -4.94 120.40 124.28 2jg8 s VAL 109 Ca 0.54 -0.03 -0.24 0.00 0.00 0.00 0.00 61.98 62.24 2jg8 s VAL 109 Cb -0.23 -4.89 0.01 0.00 0.00 0.00 0.00 36.38 31.27 2jg8 s VAL 109 CO 0.25 -1.78 0.84 -0.63 0.00 0.00 0.00 175.10 173.78 2jg8 s ILE 110 N 5.13 4.70 -0.58 2.22 1.01 -1.26 -4.56 121.20 127.86 2jg8 s ILE 110 Ca 0.34 1.11 -0.19 0.00 0.00 0.00 0.00 60.65 61.91 2jg8 s ILE 110 Cb -0.08 -4.23 0.10 0.00 0.01 0.00 0.00 42.46 38.25 2jg8 s ILE 110 CO 0.09 -0.40 0.69 -0.36 0.00 0.00 0.00 174.94 174.96 2jg8 s PHE 111 N 3.18 3.01 -0.35 3.97 0.40 -1.26 -4.75 117.98 122.17 2jg8 s PHE 111 Ca 0.34 -0.91 0.21 0.00 -0.60 0.00 0.00 56.93 55.98 2jg8 s PHE 111 Cb -0.13 -3.94 0.22 0.00 0.51 0.00 0.00 43.02 39.68 2jg8 s PHE 111 CO 0.16 -1.26 1.47 0.38 0.70 0.00 0.00 175.22 176.67 2jg8 h ASP 112 N 9.16 0.00 -3.63 1.36 2.03 -1.60 -3.41 116.42 120.33 2jg8 h ASP 112 Ca -0.29 0.00 -0.68 0.00 -0.73 0.00 0.00 57.03 55.33 2jg8 h ASP 112 Cb 1.09 0.00 -0.24 0.00 -0.83 0.00 0.00 39.33 39.35 2jg8 h ASP 112 CO 1.08 0.12 -0.56 -0.89 -1.03 0.00 0.00 179.24 177.95 2jg8 s THR 113 N -3.17 4.43 -0.06 1.15 2.01 -0.60 -4.86 115.64 114.53 2jg8 s THR 113 Ca 0.05 -0.60 -0.27 0.00 0.31 0.00 0.00 61.69 61.18 2jg8 s THR 113 Cb 0.06 -3.32 -0.03 0.00 0.01 0.00 0.00 72.50 69.22 2jg8 s THR 113 CO 0.71 -0.01 0.85 -0.69 -0.69 0.00 0.00 174.62 174.79 2jg8 s VAL 114 N 1.57 4.93 -0.22 3.82 1.01 -1.26 -0.08 120.40 130.17 2jg8 s VAL 114 Ca 0.03 1.75 -0.15 0.00 0.00 0.00 0.00 61.98 63.62 2jg8 s VAL 114 Cb -0.18 -4.18 -0.18 0.00 0.00 0.00 0.00 36.38 31.84 2jg8 s VAL 114 CO 0.05 0.16 0.03 -0.38 0.00 0.00 0.00 175.10 174.96 2jg8 n ILE 115 N 4.05 1.57 -3.94 2.22 2.08 0.07 -4.96 119.36 120.45 2jg8 n ILE 115 Ca 0.03 -0.29 -0.10 0.00 0.56 0.00 0.00 62.75 62.95 2jg8 n ILE 115 Cb 0.51 -1.88 -0.11 0.00 -0.75 0.00 0.00 39.64 37.40 2jg8 n ILE 115 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 2jg8 s THR 116 N -2.45 0.09 -0.42 1.39 2.01 -0.94 -4.94 115.64 110.38 2jg8 s THR 116 Ca -0.31 -0.74 0.05 0.00 0.31 0.00 0.00 61.69 61.00 2jg8 s THR 116 Cb 0.09 -0.28 0.31 0.00 0.01 0.00 0.00 72.50 72.63 2jg8 s THR 116 CO 0.59 -0.40 1.18 -3.20 -0.69 0.00 0.00 174.62 172.10 2jg8 n ASN 117 N 1.75 -2.05 -4.70 3.53 5.15 -1.23 -1.28 115.26 116.43 2jg8 n ASN 117 Ca -0.22 -3.09 -0.42 0.00 -0.60 0.00 0.00 54.58 50.24 2jg8 n ASN 117 Cb 0.56 1.67 -0.03 0.00 -0.53 0.00 0.00 39.78 41.45 2jg8 n ASN 117 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 2jg8 s GLN 118 N 0.24 4.32 0.00 1.20 2.00 0.10 -1.31 119.66 126.21 2jg8 s GLN 118 Ca 0.23 1.98 0.00 0.00 -2.00 0.00 0.00 55.36 55.56 2jg8 s GLN 118 Cb 0.28 -3.43 0.00 0.00 0.80 0.00 0.00 33.01 30.66 2jg8 s GLN 118 CO -0.11 -0.48 0.00 0.39 -0.50 0.00 0.00 175.29 174.59 2jg8 n GLU 119 N 4.69 0.00 -3.90 1.67 1.02 -1.26 -2.90 120.64 119.95 2jg8 n GLU 119 Ca 0.12 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.98 2jg8 n GLU 119 Cb 0.44 -2.68 0.01 0.00 -0.02 0.00 0.00 31.44 29.18 2jg8 n GLU 119 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2jg8 n GLU 120 N -2.00 -4.59 0.23 3.49 1.02 -0.43 -4.89 120.64 113.46 2jg8 n GLU 120 Ca 0.00 0.54 0.12 0.00 -0.02 0.00 0.00 57.16 57.79 2jg8 n GLU 120 Cb 0.00 -5.16 0.36 0.00 -0.02 0.00 0.00 31.44 26.62 2jg8 n GLU 120 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2jg8 h PRO 121 N -1.90 0.00 -5.51 3.49 0.13 -1.81 -3.45 132.00 122.95 2jg8 h PRO 121 Ca -0.60 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 63.92 2jg8 h PRO 121 Cb 1.37 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.41 2jg8 h PRO 121 CO 0.65 0.12 -0.38 -0.47 -0.23 0.00 0.00 178.00 177.68 2jg8 s TYR 122 N -3.40 3.50 -0.40 1.56 5.04 -1.26 -0.63 117.35 121.75 2jg8 s TYR 122 Ca 0.04 0.55 -0.12 0.00 -2.44 0.00 0.00 57.07 55.10 2jg8 s TYR 122 Cb 0.08 -2.22 0.04 0.00 0.35 0.00 0.00 41.96 40.21 2jg8 s TYR 122 CO 0.64 0.38 0.26 -0.65 -1.34 0.00 0.00 175.55 174.84 2jg8 s GLN 123 N 0.02 2.83 0.00 4.97 -0.21 -0.54 -4.96 119.66 121.77 2jg8 s GLN 123 Ca 0.15 -1.18 0.23 0.00 0.02 0.00 0.00 55.36 54.58 2jg8 s GLN 123 Cb -0.13 -3.84 1.11 0.00 1.00 0.00 0.00 33.01 31.15 2jg8 s GLN 123 CO 0.03 -0.80 1.76 0.27 -2.12 0.00 0.00 175.29 174.42 2jg8 n ASN 124 N 5.04 0.00 0.07 5.90 6.94 -1.26 -0.88 115.26 131.07 2jg8 n ASN 124 Ca -0.11 0.12 0.00 0.00 -0.02 0.00 0.00 54.58 54.57 2jg8 n ASN 124 Cb 0.45 -0.35 -0.05 0.00 -2.36 0.00 0.00 39.78 37.47 2jg8 n ASN 124 CO 0.00 0.00 0.00 1.12 -1.03 0.00 0.00 177.26 177.35 2jg8 h HIS 125 N 0.00 0.00 0.00 -2.53 2.07 -1.89 -3.38 115.15 109.42 2jg8 h HIS 125 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2jg8 h HIS 125 Cb 0.27 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.25 2jg8 h HIS 125 CO 0.00 0.58 -0.17 -1.13 -3.07 0.00 0.00 177.93 174.14 2jg8 n SER 126 N -3.03 0.85 -0.69 3.10 3.41 -1.08 -4.92 113.62 111.26 2jg8 n SER 126 Ca -0.05 -0.40 -0.08 0.00 -0.26 0.00 0.00 58.87 58.07 2jg8 n SER 126 Cb 0.81 0.98 -0.03 0.00 -0.26 0.00 0.00 64.21 65.71 2jg8 n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jg8 n GLY 127 N 1.23 0.83 3.40 5.00 0.00 -0.06 -4.74 105.19 110.85 2jg8 n GLY 127 Ca 0.00 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 45.04 2jg8 n GLY 127 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jg8 s ARG 128 N -3.03 3.48 0.19 1.61 0.52 -1.19 -4.42 118.95 116.11 2jg8 s ARG 128 Ca 0.00 -0.62 -0.28 0.00 -0.52 0.00 0.00 55.73 54.32 2jg8 s ARG 128 Cb 0.00 -2.82 -0.08 0.00 0.52 0.00 0.00 34.95 32.57 2jg8 s ARG 128 CO 0.00 0.12 0.87 0.12 0.02 0.00 0.00 175.30 176.43 2jg8 s PHE 129 N 0.64 3.93 -0.14 -0.53 5.36 0.60 -1.46 117.98 126.38 2jg8 s PHE 129 Ca -0.05 1.78 0.02 0.00 -0.96 0.00 0.00 56.93 57.72 2jg8 s PHE 129 Cb -0.15 -2.89 0.01 0.00 -0.34 0.00 0.00 43.02 39.65 2jg8 s PHE 129 CO 0.03 0.45 -0.20 0.08 -1.46 0.00 0.00 175.22 174.11 2jg8 s VAL 130 N -1.01 1.95 -0.03 3.12 1.01 0.19 -0.72 120.40 124.92 2jg8 s VAL 130 Ca 0.39 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 61.16 2jg8 s VAL 130 Cb -0.24 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 2jg8 s VAL 130 CO 0.29 0.53 1.21 0.00 0.00 0.00 0.00 175.10 177.13 2jg8 n THR 132 N 4.46 1.07 -3.31 0.00 -1.04 -1.26 -0.84 114.28 113.36 2jg8 n THR 132 Ca 0.11 -0.30 -0.41 0.00 -2.04 0.00 0.00 64.05 61.41 2jg8 n THR 132 Cb 0.46 -1.64 -0.08 0.00 -1.82 0.00 0.00 70.33 67.24 2jg8 n THR 132 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2jg8 s VAL 133 N -2.36 5.09 0.43 12.58 1.01 -1.26 -4.69 120.40 131.20 2jg8 s VAL 133 Ca -0.27 0.40 -0.24 0.00 0.00 0.00 0.00 61.98 61.87 2jg8 s VAL 133 Cb 0.10 -3.86 -0.08 0.00 0.00 0.00 0.00 36.38 32.54 2jg8 s VAL 133 CO 0.36 -0.07 1.16 -2.84 0.00 0.00 0.00 175.10 173.71 2jg8 s PRO 134 N 2.23 3.90 0.00 2.72 0.02 -1.26 -4.90 135.00 137.72 2jg8 s PRO 134 Ca 0.17 1.78 0.00 0.00 0.02 0.00 0.00 61.00 62.97 2jg8 s PRO 134 Cb -0.16 -2.52 0.00 0.00 0.02 0.00 0.00 34.50 31.84 2jg8 s PRO 134 CO 0.12 -0.43 0.00 0.41 -0.33 0.00 0.00 177.00 176.77 2jg8 n GLY 135 N 0.50 -0.43 3.68 0.52 0.00 -0.90 -1.30 105.19 107.26 2jg8 n GLY 135 Ca 0.06 -1.36 -0.36 0.00 0.00 0.00 0.00 46.02 44.36 2jg8 n GLY 135 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jg8 s TYR 136 N -2.88 3.35 0.10 1.61 1.51 0.68 -1.13 117.35 120.59 2jg8 s TYR 136 Ca 0.00 0.32 0.10 0.00 -1.01 0.00 0.00 57.07 56.48 2jg8 s TYR 136 Cb 0.00 -2.28 -0.04 0.00 -0.11 0.00 0.00 41.96 39.53 2jg8 s TYR 136 CO 0.00 0.11 -0.25 0.71 -1.11 0.00 0.00 175.55 175.01 2jg8 s TYR 137 N 0.91 2.15 -0.12 2.71 1.51 -0.54 0.16 117.35 124.13 2jg8 s TYR 137 Ca 0.10 -0.39 -0.01 0.00 -1.01 0.00 0.00 57.07 55.75 2jg8 s TYR 137 Cb -0.13 -1.20 -0.02 0.00 -0.11 0.00 0.00 41.96 40.49 2jg8 s TYR 137 CO 0.04 0.24 -0.08 -0.47 -1.11 0.00 0.00 175.55 174.16 2jg8 s TYR 138 N -1.00 2.91 0.02 2.71 5.04 0.02 -0.70 117.35 126.35 2jg8 s TYR 138 Ca 0.11 -0.31 0.07 0.00 -2.44 0.00 0.00 57.07 54.50 2jg8 s TYR 138 Cb -0.10 -1.83 -0.02 0.00 0.35 0.00 0.00 41.96 40.36 2jg8 s TYR 138 CO 0.04 0.03 -0.21 -0.06 -1.34 0.00 0.00 175.55 174.01 2jg8 s PHE 139 N -0.04 1.82 -0.00 4.97 0.40 -0.32 -1.23 117.98 123.58 2jg8 s PHE 139 Ca -0.01 -0.36 -0.22 0.00 -0.60 0.00 0.00 56.93 55.74 2jg8 s PHE 139 Cb -0.14 -1.12 0.05 0.00 0.51 0.00 0.00 43.02 42.32 2jg8 s PHE 139 CO 0.03 0.05 0.49 -0.08 0.70 0.00 0.00 175.22 176.42 2jg8 s THR 140 N -0.69 0.03 0.04 0.64 -1.32 -0.45 -1.07 115.64 112.82 2jg8 s THR 140 Ca 0.08 -0.27 0.01 0.00 -1.21 0.00 0.00 61.69 60.30 2jg8 s THR 140 Cb -0.08 -0.87 -0.03 0.00 -1.51 0.00 0.00 72.50 70.00 2jg8 s THR 140 CO 0.01 -0.15 -0.06 0.72 -2.21 0.00 0.00 174.62 172.93 2jg8 s PHE 141 N -1.72 0.57 -0.24 9.09 -0.12 -0.58 -0.88 117.98 124.10 2jg8 s PHE 141 Ca -0.10 -0.58 -0.02 0.00 -0.05 0.00 0.00 56.93 56.18 2jg8 s PHE 141 Cb -0.02 -0.36 0.07 0.00 -0.63 0.00 0.00 43.02 42.09 2jg8 s PHE 141 CO 0.04 -0.14 0.06 -0.65 -0.05 0.00 0.00 175.22 174.48 2jg8 s GLN 142 N -1.91 0.67 -0.07 1.99 1.11 -0.52 -2.62 119.66 118.31 2jg8 s GLN 142 Ca -0.08 -0.63 0.04 0.00 0.01 0.00 0.00 55.36 54.69 2jg8 s GLN 142 Cb -0.07 -2.02 -0.02 0.00 -1.01 0.00 0.00 33.01 29.89 2jg8 s GLN 142 CO -0.01 -0.77 -0.17 0.08 0.01 0.00 0.00 175.29 174.44 2jg8 s VAL 143 N 1.80 2.82 -0.14 1.09 1.01 0.07 -0.97 120.40 126.08 2jg8 s VAL 143 Ca 0.03 -0.80 -0.16 0.00 0.00 0.00 0.00 61.98 61.05 2jg8 s VAL 143 Cb -0.17 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 2jg8 s VAL 143 CO -0.15 0.57 0.38 -0.22 0.00 0.00 0.00 175.10 175.69 2jg8 s LEU 144 N -0.40 4.27 0.14 3.92 2.96 -1.26 -1.03 118.68 127.28 2jg8 s LEU 144 Ca 0.04 0.67 0.01 0.00 -0.22 0.00 0.00 54.13 54.62 2jg8 s LEU 144 Cb -0.12 -2.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.99 2jg8 s LEU 144 CO 0.02 0.06 0.01 -0.55 -1.32 0.00 0.00 176.35 174.57 2jg8 s SER 145 N 0.49 0.82 0.00 3.68 0.15 -0.21 -0.58 113.70 118.04 2jg8 s SER 145 Ca 0.21 -1.15 0.00 0.00 0.70 0.00 0.00 55.95 55.71 2jg8 s SER 145 Cb -0.14 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.35 2jg8 s SER 145 CO 0.07 -0.62 0.00 0.00 1.20 0.00 0.00 173.24 173.90 2jg8 n GLN 146 N -0.13 4.94 0.00 5.44 6.02 -1.26 -0.71 117.38 131.67 2jg8 n GLN 146 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 2jg8 n GLN 146 Cb 0.63 -0.50 0.00 0.00 1.02 0.00 0.00 30.24 31.39 2jg8 n GLN 146 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 2jg8 n TRP 147 N -0.90 0.00 -4.80 1.08 7.02 -1.26 -0.04 117.44 118.54 2jg8 n TRP 147 Ca 0.00 0.00 -0.26 0.00 -1.02 0.00 0.00 57.50 56.22 2jg8 n TRP 147 Cb 0.00 0.00 -0.16 0.00 -2.42 0.00 0.00 31.31 28.73 2jg8 n TRP 147 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 2jg8 s GLU 148 N 1.26 1.87 -0.05 -0.99 2.02 -1.26 -1.96 118.70 119.59 2jg8 s GLU 148 Ca 0.00 -0.58 -0.03 0.00 0.02 0.00 0.00 54.97 54.38 2jg8 s GLU 148 Cb 0.00 -1.58 0.03 0.00 0.10 0.00 0.00 34.13 32.68 2jg8 s GLU 148 CO 0.00 0.18 0.12 -1.50 0.02 0.00 0.00 175.26 174.08 2jg8 s ILE 149 N 0.23 -0.03 -0.10 -1.63 2.07 -0.40 -2.16 121.20 119.17 2jg8 s ILE 149 Ca -0.08 0.13 0.00 0.00 -1.41 0.00 0.00 60.65 59.29 2jg8 s ILE 149 Cb -0.13 -0.20 0.02 0.00 0.13 0.00 0.00 42.46 42.28 2jg8 s ILE 149 CO 0.03 0.05 -0.09 0.00 -1.91 0.00 0.00 174.94 173.03 2jg8 s LEU 151 N 1.44 2.28 -0.00 0.00 1.43 0.18 -1.28 118.68 122.73 2jg8 s LEU 151 Ca -0.00 -0.67 0.01 0.00 -1.03 0.00 0.00 54.13 52.43 2jg8 s LEU 151 Cb -0.13 -1.00 -0.00 0.00 0.03 0.00 0.00 46.19 45.08 2jg8 s LEU 151 CO -0.05 0.11 -0.03 -0.55 0.23 0.00 0.00 176.35 176.07 2jg8 s SER 152 N -1.80 0.31 -0.36 2.29 0.15 -0.08 0.35 113.70 114.56 2jg8 s SER 152 Ca 0.09 -0.05 -0.24 0.00 0.70 0.00 0.00 55.95 56.45 2jg8 s SER 152 Cb -0.10 -0.04 0.01 0.00 -1.71 0.00 0.00 66.02 64.18 2jg8 s SER 152 CO 0.04 0.03 0.81 -0.63 1.20 0.00 0.00 173.24 174.69 2jg8 s ILE 153 N -0.03 4.71 0.12 6.45 1.01 -1.24 -1.12 121.20 131.10 2jg8 s ILE 153 Ca 0.01 0.98 0.06 0.00 0.00 0.00 0.00 60.65 61.69 2jg8 s ILE 153 Cb -0.01 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 2jg8 s ILE 153 CO -0.00 -0.43 -0.03 -0.69 0.00 0.00 0.00 174.94 173.79 2jg8 s VAL 154 N 3.15 3.76 0.34 2.92 1.01 0.34 -4.37 120.40 127.55 2jg8 s VAL 154 Ca 0.33 -1.19 0.03 0.00 0.00 0.00 0.00 61.98 61.15 2jg8 s VAL 154 Cb -0.13 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.39 2jg8 s VAL 154 CO 0.17 0.05 0.09 -0.94 0.00 0.00 0.00 175.10 174.47 2jg8 s SER 155 N -2.46 2.29 0.02 3.32 1.04 -1.10 -1.05 113.70 115.75 2jg8 s SER 155 Ca 0.25 -1.49 -0.00 0.00 0.48 0.00 0.00 55.95 55.19 2jg8 s SER 155 Cb -0.11 0.19 -0.02 0.00 0.10 0.00 0.00 66.02 66.18 2jg8 s SER 155 CO 0.17 -0.75 -0.02 -0.94 0.98 0.00 0.00 173.24 172.68 2jg8 s SER 156 N -3.50 0.19 -0.05 7.02 1.04 0.05 -0.30 113.70 118.16 2jg8 s SER 156 Ca 0.32 -0.41 0.01 0.00 0.48 0.00 0.00 55.95 56.34 2jg8 s SER 156 Cb 0.06 0.09 0.02 0.00 0.10 0.00 0.00 66.02 66.30 2jg8 s SER 156 CO 0.15 -0.26 -0.04 -0.55 0.98 0.00 0.00 173.24 173.52 2jg8 s SER 157 N -1.25 1.10 -1.62 7.02 0.15 -0.80 -2.66 113.70 115.63 2jg8 s SER 157 Ca -0.14 -0.13 -0.02 0.00 0.70 0.00 0.00 55.95 56.36 2jg8 s SER 157 Cb -0.08 -0.47 0.00 0.00 -1.71 0.00 0.00 66.02 63.76 2jg8 s SER 157 CO -0.01 -0.08 0.29 0.54 1.20 0.00 0.00 173.24 175.19 2jg8 n ARG 158 N 4.24 -3.16 -0.58 5.44 1.74 -1.26 -2.02 116.66 121.07 2jg8 n ARG 158 Ca -0.22 0.93 0.00 0.00 -0.77 0.00 0.00 57.85 57.80 2jg8 n ARG 158 Cb 0.51 -5.64 0.00 0.00 -1.02 0.00 0.00 32.46 26.31 2jg8 n ARG 158 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jg8 n GLY 159 N -1.26 1.62 3.76 -0.13 0.00 -1.26 -5.01 105.19 102.90 2jg8 n GLY 159 Ca -0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 2jg8 n GLY 159 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jg8 s GLN 160 N -0.09 4.17 0.04 1.61 -1.52 -0.86 -5.05 119.66 117.97 2jg8 s GLN 160 Ca 0.00 0.30 -0.28 0.00 -1.95 0.00 0.00 55.36 53.43 2jg8 s GLN 160 Cb 0.00 -3.37 -0.04 0.00 -0.22 0.00 0.00 33.01 29.38 2jg8 s GLN 160 CO 0.00 0.34 0.90 0.08 -0.25 0.00 0.00 175.29 176.36 2jg8 s VAL 161 N 0.08 4.75 -0.49 1.09 1.01 -1.26 -1.91 120.40 123.66 2jg8 s VAL 161 Ca 0.22 1.90 -0.01 0.00 0.00 0.00 0.00 61.98 64.09 2jg8 s VAL 161 Cb -0.15 -4.25 0.13 0.00 0.00 0.00 0.00 36.38 32.12 2jg8 s VAL 161 CO 0.09 0.26 0.28 -0.13 0.00 0.00 0.00 175.10 175.59 2jg8 s ARG 162 N 0.46 2.13 0.74 2.72 0.52 0.59 -4.99 118.95 121.12 2jg8 s ARG 162 Ca 0.46 -2.21 -0.12 0.00 -0.52 0.00 0.00 55.73 53.34 2jg8 s ARG 162 Cb -0.21 -3.55 0.04 0.00 0.52 0.00 0.00 34.95 31.75 2jg8 s ARG 162 CO 0.26 -1.10 1.10 1.03 0.02 0.00 0.00 175.30 176.62 2jg8 s ARG 163 N 0.46 2.42 0.00 3.54 1.81 -1.26 -2.73 118.95 123.19 2jg8 s ARG 163 Ca 0.13 1.25 0.00 0.00 -1.72 0.00 0.00 55.73 55.39 2jg8 s ARG 163 Cb -0.22 -1.91 0.00 0.00 -0.45 0.00 0.00 34.95 32.37 2jg8 s ARG 163 CO -0.04 -1.53 0.00 0.45 -0.68 0.00 0.00 175.30 173.50 2jg8 n SER 164 N -3.16 0.00 -4.79 0.23 2.88 -1.26 -4.96 113.62 102.56 2jg8 n SER 164 Ca 0.10 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.30 2jg8 n SER 164 Cb 0.53 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.01 2jg8 n SER 164 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2jg8 s LEU 165 N 0.00 3.48 0.23 2.46 2.01 -1.26 -4.92 118.68 120.68 2jg8 s LEU 165 Ca 0.00 1.93 0.11 0.00 0.01 0.00 0.00 54.13 56.18 2jg8 s LEU 165 Cb 0.00 -4.55 -0.05 0.00 0.01 0.00 0.00 46.19 41.61 2jg8 s LEU 165 CO 0.00 -1.36 -0.20 -0.83 1.01 0.00 0.00 176.35 174.97 2jg8 s GLY 166 N -2.59 1.71 -0.02 -3.19 0.00 -1.26 -3.72 107.32 98.26 2jg8 s GLY 166 Ca 0.66 -1.73 0.01 0.00 0.00 0.00 0.00 44.72 43.66 2jg8 s GLY 166 CO 0.37 -1.79 -0.01 -1.36 0.00 0.00 0.00 173.10 170.31 2jg8 s PHE 167 N -2.26 0.28 0.04 1.90 0.40 0.16 -4.96 117.98 113.53 2jg8 s PHE 167 Ca 0.24 -0.01 0.04 0.00 -0.60 0.00 0.00 56.93 56.60 2jg8 s PHE 167 Cb -0.05 -0.31 -0.02 0.00 0.51 0.00 0.00 43.02 43.14 2jg8 s PHE 167 CO 0.11 -0.08 -0.11 0.00 0.70 0.00 0.00 175.22 175.84 2jg8 s ASP 169 N -1.25 2.19 -0.13 0.00 -1.08 0.15 -4.97 116.67 111.58 2jg8 s ASP 169 Ca -0.02 -0.33 0.16 0.00 -0.52 0.00 0.00 52.55 51.83 2jg8 s ASP 169 Cb -0.08 -0.90 0.28 0.00 -1.46 0.00 0.00 42.92 40.76 2jg8 s ASP 169 CO 0.01 -0.08 1.15 0.35 0.52 0.00 0.00 175.17 177.12 2jg8 n THR 170 N 4.68 1.71 -0.26 1.71 -2.24 -1.26 -1.28 114.28 117.34 2jg8 n THR 170 Ca -0.15 -2.16 0.04 0.00 -2.27 0.00 0.00 64.05 59.50 2jg8 n THR 170 Cb 0.50 -0.14 0.13 0.00 -2.10 0.00 0.00 70.33 68.72 2jg8 n THR 170 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2jg8 h THR 171 N 1.01 0.29 -5.06 4.28 2.02 -1.96 -3.46 112.91 110.03 2jg8 h THR 171 Ca -0.00 -0.02 -0.29 0.00 0.77 0.00 0.00 66.41 66.87 2jg8 h THR 171 Cb 1.06 0.24 0.14 0.00 -1.74 0.00 0.00 68.15 67.84 2jg8 h THR 171 CO 0.00 0.01 -0.62 -3.20 0.37 0.00 0.00 175.52 172.08 2jg8 n ASN 172 N -5.42 -2.98 0.00 4.18 4.05 -0.83 -4.91 115.26 109.36 2jg8 n ASN 172 Ca 0.12 -0.50 0.00 0.00 0.45 0.00 0.00 54.58 54.65 2jg8 n ASN 172 Cb 0.44 -4.36 0.00 0.00 1.23 0.00 0.00 39.78 37.09 2jg8 n ASN 172 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 2jg8 n LYS 173 N -3.79 -0.33 -1.17 1.20 4.76 -1.23 -4.97 118.16 112.62 2jg8 n LYS 173 Ca -0.18 -0.62 -0.06 0.00 -2.87 0.00 0.00 58.31 54.59 2jg8 n LYS 173 Cb 0.62 -0.96 -0.03 0.00 -1.84 0.00 0.00 35.03 32.82 2jg8 n LYS 173 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jg8 n GLY 174 N -0.07 0.82 3.56 0.72 0.00 0.94 -5.01 105.19 106.14 2jg8 n GLY 174 Ca 0.00 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 2jg8 n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jg8 s LEU 175 N -1.33 3.04 -0.04 0.99 1.43 -1.21 -4.95 118.68 116.60 2jg8 s LEU 175 Ca 0.00 -0.13 -0.39 0.00 -1.03 0.00 0.00 54.13 52.58 2jg8 s LEU 175 Cb 0.00 -1.70 -0.18 0.00 0.03 0.00 0.00 46.19 44.35 2jg8 s LEU 175 CO 0.00 0.32 1.35 0.49 0.23 0.00 0.00 176.35 178.74 2jg8 n PHE 176 N 1.94 1.37 -4.04 0.29 0.99 -1.26 -4.42 117.46 112.34 2jg8 n PHE 176 Ca -0.17 0.79 -0.13 0.00 -0.00 0.00 0.00 57.45 57.94 2jg8 n PHE 176 Cb 0.53 -2.27 -0.13 0.00 -1.00 0.00 0.00 39.48 36.60 2jg8 n PHE 176 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 2jg8 s GLN 177 N 1.04 0.32 -0.31 -1.08 -1.52 0.11 -4.98 119.66 113.23 2jg8 s GLN 177 Ca 0.90 -0.31 -0.09 0.00 -1.95 0.00 0.00 55.36 53.91 2jg8 s GLN 177 Cb -1.11 -0.20 0.00 0.00 -0.22 0.00 0.00 33.01 31.48 2jg8 s GLN 177 CO 0.56 0.05 0.13 0.08 -0.25 0.00 0.00 175.29 175.85 2jg8 s VAL 178 N -0.53 4.36 -0.02 1.09 1.01 -1.26 -1.05 120.40 124.00 2jg8 s VAL 178 Ca -0.03 -0.57 -0.22 0.00 0.00 0.00 0.00 61.98 61.15 2jg8 s VAL 178 Cb -0.04 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.04 2jg8 s VAL 178 CO -0.00 0.04 0.66 0.54 0.00 0.00 0.00 175.10 176.34 2jg8 s VAL 179 N 1.56 4.92 0.21 2.92 0.11 -0.19 -4.88 120.40 125.05 2jg8 s VAL 179 Ca 0.04 1.38 0.05 0.00 -2.93 0.00 0.00 61.98 60.51 2jg8 s VAL 179 Cb -0.17 -4.00 -0.05 0.00 -1.53 0.00 0.00 36.38 30.63 2jg8 s VAL 179 CO 0.05 0.35 -0.06 -0.94 -3.33 0.00 0.00 175.10 171.17 2jg8 s SER 180 N 0.18 2.05 -0.05 3.54 1.04 -1.26 -0.75 113.70 118.45 2jg8 s SER 180 Ca 0.34 -1.12 -0.31 0.00 0.48 0.00 0.00 55.95 55.34 2jg8 s SER 180 Cb -0.18 -0.04 0.13 0.00 0.10 0.00 0.00 66.02 66.02 2jg8 s SER 180 CO 0.18 -0.38 1.35 -0.83 0.98 0.00 0.00 173.24 174.54 2jg8 s GLY 181 N -3.28 -0.40 0.00 7.32 0.00 -1.08 -4.84 107.32 105.03 2jg8 s GLY 181 Ca 0.24 0.69 0.00 0.00 0.00 0.00 0.00 44.72 45.65 2jg8 s GLY 181 CO 0.06 1.10 0.00 0.61 0.00 0.00 0.00 173.10 174.87 2jg8 n GLY 182 N -0.57 0.91 3.48 0.20 0.00 -1.26 -1.53 105.19 106.43 2jg8 n GLY 182 Ca -0.07 -0.70 -0.10 0.00 0.00 0.00 0.00 46.02 45.15 2jg8 n GLY 182 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2jg8 s MET 183 N -2.00 0.95 -0.05 1.61 0.23 -0.24 -4.99 119.30 114.82 2jg8 s MET 183 Ca 0.00 -0.34 -0.26 0.00 -1.03 0.00 0.00 55.69 54.07 2jg8 s MET 183 Cb 0.00 0.44 -0.03 0.00 -1.53 0.00 0.00 34.83 33.70 2jg8 s MET 183 CO 0.00 -0.41 0.81 0.08 -2.03 0.00 0.00 175.02 173.47 2jg8 s VAL 184 N -3.24 4.97 -0.10 5.16 1.01 -1.26 -1.18 120.40 125.76 2jg8 s VAL 184 Ca 0.04 1.68 0.03 0.00 0.00 0.00 0.00 61.98 63.73 2jg8 s VAL 184 Cb -0.01 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 32.23 2jg8 s VAL 184 CO -0.10 0.21 -0.20 -0.76 0.00 0.00 0.00 175.10 174.25 2jg8 s LEU 185 N 0.94 1.96 -0.27 3.92 1.43 0.12 -4.96 118.68 121.83 2jg8 s LEU 185 Ca 0.43 -0.50 -0.24 0.00 -1.03 0.00 0.00 54.13 52.78 2jg8 s LEU 185 Cb -0.19 -1.26 -0.00 0.00 0.03 0.00 0.00 46.19 44.76 2jg8 s LEU 185 CO 0.21 0.11 0.83 -1.58 0.23 0.00 0.00 176.35 176.15 2jg8 s GLN 186 N 0.56 4.11 0.14 1.70 0.74 -1.26 -1.47 119.66 124.17 2jg8 s GLN 186 Ca -0.15 0.84 0.09 0.00 0.05 0.00 0.00 55.36 56.20 2jg8 s GLN 186 Cb -0.17 -3.68 -0.04 0.00 1.10 0.00 0.00 33.01 30.22 2jg8 s GLN 186 CO 0.05 -0.59 -0.17 -0.51 -0.55 0.00 0.00 175.29 173.52 2jg8 s LEU 187 N 2.93 2.75 0.33 3.68 1.43 -0.28 -4.98 118.68 124.53 2jg8 s LEU 187 Ca 0.35 -0.58 0.07 0.00 -1.03 0.00 0.00 54.13 52.94 2jg8 s LEU 187 Cb -0.15 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.50 2jg8 s LEU 187 CO 0.09 0.16 0.30 -1.10 0.23 0.00 0.00 176.35 176.03 2jg8 s GLN 188 N -2.33 2.78 0.18 1.70 -0.21 -1.26 -2.12 119.66 118.40 2jg8 s GLN 188 Ca 0.20 -1.25 -0.33 0.00 0.02 0.00 0.00 55.36 54.00 2jg8 s GLN 188 Cb -0.10 -2.51 -0.15 0.00 1.00 0.00 0.00 33.01 31.25 2jg8 s GLN 188 CO 0.11 0.12 1.31 0.94 -2.12 0.00 0.00 175.29 175.66 2jg8 n GLN 189 N -1.37 1.54 0.00 2.91 7.27 -1.26 -1.33 117.38 125.14 2jg8 n GLN 189 Ca -0.02 0.55 0.00 0.00 0.07 0.00 0.00 57.00 57.60 2jg8 n GLN 189 Cb 0.59 -2.15 0.00 0.00 2.41 0.00 0.00 30.24 31.09 2jg8 n GLN 189 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2jg8 n GLY 190 N 2.28 2.58 3.76 1.69 0.00 -0.02 -4.99 105.19 110.49 2jg8 n GLY 190 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 2jg8 n GLY 190 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jg8 s ASP 191 N -3.11 5.72 0.10 1.61 -0.00 -0.44 -4.68 116.67 115.88 2jg8 s ASP 191 Ca 0.00 2.81 0.10 0.00 -0.00 0.00 0.00 52.55 55.46 2jg8 s ASP 191 Cb 0.00 -2.64 -0.04 0.00 -0.00 0.00 0.00 42.92 40.24 2jg8 s ASP 191 CO 0.00 -1.27 -0.24 -1.10 -0.00 0.00 0.00 175.17 172.57 2jg8 s GLN 192 N -2.60 1.63 -0.02 8.23 -0.21 -1.09 -0.22 119.66 125.38 2jg8 s GLN 192 Ca 0.64 -1.23 0.00 0.00 0.02 0.00 0.00 55.36 54.79 2jg8 s GLN 192 Cb -0.41 -2.00 0.02 0.00 1.00 0.00 0.00 33.01 31.62 2jg8 s GLN 192 CO 0.52 0.48 0.00 0.08 -2.12 0.00 0.00 175.29 174.25 2jg8 s VAL 193 N -1.03 0.10 0.24 1.09 1.01 0.10 -0.77 120.40 121.15 2jg8 s VAL 193 Ca 0.15 0.09 -0.11 0.00 0.00 0.00 0.00 61.98 62.10 2jg8 s VAL 193 Cb -0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 36.38 36.08 2jg8 s VAL 193 CO 0.06 0.11 0.43 -1.66 0.00 0.00 0.00 175.10 174.04 2jg8 s TRP 194 N 0.80 0.49 -0.19 5.22 -2.14 -0.21 -0.29 118.94 122.61 2jg8 s TRP 194 Ca -0.08 -0.83 -0.08 0.00 2.66 0.00 0.00 56.10 57.77 2jg8 s TRP 194 Cb -0.11 0.08 -0.04 0.00 -3.10 0.00 0.00 33.47 30.30 2jg8 s TRP 194 CO -0.02 -0.95 0.09 0.08 -2.66 0.00 0.00 176.95 173.49 2jg8 s VAL 195 N -4.01 5.02 0.03 -0.66 1.01 -1.26 -0.51 120.40 120.02 2jg8 s VAL 195 Ca 0.25 0.05 0.09 0.00 0.00 0.00 0.00 61.98 62.37 2jg8 s VAL 195 Cb 0.00 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 2jg8 s VAL 195 CO 0.10 0.45 -0.26 -1.61 0.00 0.00 0.00 175.10 173.77 2jg8 s GLU 196 N 0.40 1.89 0.18 2.72 2.02 -0.28 -0.93 118.70 124.71 2jg8 s GLU 196 Ca 0.05 -1.06 0.01 0.00 0.02 0.00 0.00 54.97 53.99 2jg8 s GLU 196 Cb -0.12 -2.00 -0.04 0.00 0.10 0.00 0.00 34.13 32.08 2jg8 s GLU 196 CO -0.00 0.53 0.34 -1.59 0.02 0.00 0.00 175.26 174.55 2jg8 s LYS 197 N -1.06 3.47 -0.02 1.61 -2.85 0.84 -0.90 119.74 120.83 2jg8 s LYS 197 Ca 0.11 -0.50 -0.30 0.00 -1.00 0.00 0.00 55.97 54.29 2jg8 s LYS 197 Cb -0.10 -2.90 -0.03 0.00 -2.06 0.00 0.00 37.83 32.73 2jg8 s LYS 197 CO 0.01 0.46 1.10 0.34 0.10 0.00 0.00 175.35 177.36 2jg8 s ASP 198 N -3.27 7.18 0.57 0.03 -1.08 -0.41 -4.85 116.67 114.85 2jg8 s ASP 198 Ca 0.36 1.76 0.28 0.00 -0.52 0.00 0.00 52.55 54.43 2jg8 s ASP 198 Cb -0.11 -2.57 1.49 0.00 -1.46 0.00 0.00 42.92 40.28 2jg8 s ASP 198 CO 0.29 -0.44 1.97 1.55 0.52 0.00 0.00 175.17 179.06 2jg8 h PRO 199 N 7.05 0.00 -0.01 4.34 0.13 -1.95 0.12 132.00 141.68 2jg8 h PRO 199 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2jg8 h PRO 199 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2jg8 h PRO 199 CO 0.82 0.00 -0.19 1.63 -0.23 0.00 0.00 178.00 180.03 2jg8 n LYS 200 N -3.97 1.10 -2.95 0.86 4.76 -1.26 -4.66 118.16 112.05 2jg8 n LYS 200 Ca 0.08 -0.67 -0.04 0.00 -2.87 0.00 0.00 58.31 54.80 2jg8 n LYS 200 Cb 0.59 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 32.29 2jg8 n LYS 200 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2jg8 s LYS 201 N -2.36 0.98 0.00 1.97 1.02 0.41 -4.98 119.74 116.77 2jg8 s LYS 201 Ca 0.28 -0.89 0.00 0.00 0.02 0.00 0.00 55.97 55.38 2jg8 s LYS 201 Cb 0.20 -0.11 0.00 0.00 -0.52 0.00 0.00 37.83 37.40 2jg8 s LYS 201 CO 0.47 -1.29 0.41 0.41 -0.92 0.00 0.00 175.35 174.43 2jg8 n GLY 202 N 3.42 -0.95 3.62 -3.33 0.00 -1.10 -1.20 105.19 105.64 2jg8 n GLY 202 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 2jg8 n GLY 202 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2jg8 s HIS 203 N -0.12 2.23 -0.15 1.61 5.04 -0.92 -4.98 115.29 118.01 2jg8 s HIS 203 Ca 0.00 0.65 0.01 0.00 -1.54 0.00 0.00 55.06 54.18 2jg8 s HIS 203 Cb 0.00 -4.05 0.00 0.00 0.04 0.00 0.00 32.58 28.57 2jg8 s HIS 203 CO 0.00 -2.51 -0.18 0.42 -2.34 0.00 0.00 174.74 170.13 2jg8 s ILE 204 N 5.32 2.44 0.21 0.89 1.01 -1.26 -4.51 121.20 125.29 2jg8 s ILE 204 Ca 0.68 -0.85 -0.31 0.00 0.00 0.00 0.00 60.65 60.16 2jg8 s ILE 204 Cb -0.21 -2.01 -0.15 0.00 0.01 0.00 0.00 42.46 40.10 2jg8 s ILE 204 CO 0.29 0.53 1.14 0.00 0.00 0.00 0.00 174.94 176.90 2jg8 n TYR 205 N 4.02 1.34 -4.06 3.97 9.36 0.25 -4.98 117.16 127.06 2jg8 n TYR 205 Ca -0.19 0.67 -0.31 0.00 3.32 0.00 0.00 57.90 61.38 2jg8 n TYR 205 Cb 0.52 -2.28 -0.16 0.00 -0.63 0.00 0.00 39.34 36.78 2jg8 n TYR 205 CO 0.00 0.00 0.00 -1.14 0.22 0.00 0.00 176.86 175.94 2jg8 s GLN 206 N -0.68 2.53 0.00 2.98 0.74 -1.26 -4.97 119.66 119.00 2jg8 s GLN 206 Ca 0.69 -0.71 0.00 0.00 0.05 0.00 0.00 55.36 55.39 2jg8 s GLN 206 Cb -0.80 -2.33 0.00 0.00 1.10 0.00 0.00 33.01 30.98 2jg8 s GLN 206 CO 0.54 -0.25 0.00 0.41 -0.55 0.00 0.00 175.29 175.44 2jg8 n GLY 207 N 4.70 -2.31 0.79 2.59 0.00 -1.26 -5.01 105.19 104.69 2jg8 n GLY 207 Ca -0.18 -1.23 0.08 0.00 0.00 0.00 0.00 46.02 44.69 2jg8 n GLY 207 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jg8 n SER 208 N 2.23 2.89 0.07 1.61 3.41 -1.26 -4.55 113.62 118.02 2jg8 n SER 208 Ca 0.00 -1.85 -0.11 0.00 -0.26 0.00 0.00 58.87 56.64 2jg8 n SER 208 Cb 0.00 -0.19 -0.02 0.00 -0.26 0.00 0.00 64.21 63.74 2jg8 n SER 208 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2jg8 h GLU 209 N 2.95 0.35 -3.67 4.33 5.08 -2.02 -3.47 114.58 118.12 2jg8 h GLU 209 Ca 0.00 -0.35 -0.07 0.00 -1.00 0.00 0.00 59.36 57.94 2jg8 h GLU 209 Cb 0.75 0.10 -0.10 0.00 0.50 0.00 0.00 28.75 30.00 2jg8 h GLU 209 CO 0.00 1.03 -0.15 0.00 -1.00 0.00 0.00 179.01 178.89 2jg8 s ALA 210 N -3.33 -0.25 0.22 3.43 0.00 -1.26 -5.18 121.76 115.39 2jg8 s ALA 210 Ca -0.05 -0.82 0.11 0.00 0.00 0.00 0.00 51.96 51.20 2jg8 s ALA 210 Cb 0.10 1.02 -0.05 0.00 0.00 0.00 0.00 23.12 24.19 2jg8 s ALA 210 CO 0.85 -0.81 -0.17 -0.51 0.00 0.00 0.00 175.76 175.12 2jg8 s ASP 211 N -3.00 3.78 -0.03 0.00 1.01 -1.26 -4.83 116.67 112.35 2jg8 s ASP 211 Ca 0.20 -0.83 0.07 0.00 0.71 0.00 0.00 52.55 52.71 2jg8 s ASP 211 Cb 0.00 -0.43 -0.02 0.00 1.01 0.00 0.00 42.92 43.48 2jg8 s ASP 211 CO 0.06 0.08 -0.25 -0.44 0.21 0.00 0.00 175.17 174.83 2jg8 s SER 212 N -3.07 2.95 -0.00 0.27 0.01 -1.26 -4.40 113.70 108.20 2jg8 s SER 212 Ca 0.26 -0.46 0.03 0.00 1.31 0.00 0.00 55.95 57.09 2jg8 s SER 212 Cb -0.07 -0.42 -0.01 0.00 0.21 0.00 0.00 66.02 65.73 2jg8 s SER 212 CO 0.14 0.30 -0.11 0.54 0.41 0.00 0.00 173.24 174.52 2jg8 s VAL 213 N -0.51 0.84 -0.12 3.43 0.11 -0.14 -2.50 120.40 121.51 2jg8 s VAL 213 Ca 0.07 -0.51 0.02 0.00 -2.93 0.00 0.00 61.98 58.64 2jg8 s VAL 213 Cb -0.10 -0.71 0.01 0.00 -1.53 0.00 0.00 36.38 34.05 2jg8 s VAL 213 CO -0.00 0.20 -0.18 0.12 -3.33 0.00 0.00 175.10 171.91 2jg8 s PHE 214 N -0.32 2.23 0.13 1.54 5.36 0.14 -1.44 117.98 125.62 2jg8 s PHE 214 Ca 0.03 -1.07 0.04 0.00 -0.96 0.00 0.00 56.93 54.97 2jg8 s PHE 214 Cb -0.04 -1.57 -0.04 0.00 -0.34 0.00 0.00 43.02 41.03 2jg8 s PHE 214 CO -0.00 -0.52 -0.10 -1.12 -1.46 0.00 0.00 175.22 172.02 2jg8 s SER 215 N 0.90 1.69 -0.10 6.13 0.01 -0.06 -0.65 113.70 121.64 2jg8 s SER 215 Ca -0.07 -0.96 -0.30 0.00 1.31 0.00 0.00 55.95 55.93 2jg8 s SER 215 Cb -0.15 -0.00 0.11 0.00 0.21 0.00 0.00 66.02 66.19 2jg8 s SER 215 CO -0.01 -0.32 0.92 -0.83 0.41 0.00 0.00 173.24 173.41 2jg8 s GLY 216 N -2.98 -0.37 0.02 3.44 0.00 -0.73 -1.34 107.32 105.36 2jg8 s GLY 216 Ca 0.14 1.62 -0.22 0.00 0.00 0.00 0.00 44.72 46.26 2jg8 s GLY 216 CO 0.00 0.80 0.49 -0.11 0.00 0.00 0.00 173.10 174.28 2jg8 s PHE 217 N -1.76 -0.39 0.09 1.90 -0.12 -0.36 -1.08 117.98 116.26 2jg8 s PHE 217 Ca -0.01 0.49 -0.31 0.00 -0.05 0.00 0.00 56.93 57.06 2jg8 s PHE 217 Cb -0.01 0.28 -0.07 0.00 -0.63 0.00 0.00 43.02 42.60 2jg8 s PHE 217 CO -0.01 -0.58 1.26 -1.17 -0.05 0.00 0.00 175.22 174.67 2jg8 s LEU 218 N -1.74 4.38 -0.14 -1.99 2.96 -0.72 -0.80 118.68 120.62 2jg8 s LEU 218 Ca -0.08 2.14 -0.10 0.00 -0.22 0.00 0.00 54.13 55.88 2jg8 s LEU 218 Cb -0.01 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.04 2jg8 s LEU 218 CO 0.01 -0.52 -0.11 0.40 -1.32 0.00 0.00 176.35 174.81 2jg8 h ILE 219 N 4.33 0.12 -2.62 6.68 2.04 0.12 -3.47 117.51 124.70 2jg8 h ILE 219 Ca -0.42 -1.14 -0.10 0.00 1.00 0.00 0.00 64.86 64.20 2jg8 h ILE 219 Cb 1.21 0.27 -0.21 0.00 -0.74 0.00 0.00 36.82 37.36 2jg8 h ILE 219 CO 0.82 0.04 -0.12 0.72 0.00 0.00 0.00 178.15 179.61 2jg8 s PHE 220 N -2.19 -0.42 0.44 1.37 -0.12 -0.95 -4.99 117.98 111.12 2jg8 s PHE 220 Ca -0.15 0.84 -0.21 0.00 -0.05 0.00 0.00 56.93 57.36 2jg8 s PHE 220 Cb 0.02 0.20 -0.10 0.00 -0.63 0.00 0.00 43.02 42.51 2jg8 s PHE 220 CO 0.24 -0.39 0.97 -1.25 -0.05 0.00 0.00 175.22 174.75 2jg8 s PRO 221 N -0.71 4.14 0.00 1.99 0.04 -1.26 -0.23 135.00 138.97 2jg8 s PRO 221 Ca -0.08 1.20 0.08 0.00 0.04 0.00 0.00 61.00 62.23 2jg8 s PRO 221 Cb -0.03 -2.20 0.06 0.00 0.04 0.00 0.00 34.50 32.37 2jg8 s PRO 221 CO 0.04 -0.11 0.75 -1.13 0.04 0.00 0.00 177.00 176.59