#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pk6 s PRO 91 N 0.00 4.35 -0.33 2.61 0.04 -1.26 -4.96 135.00 135.44 1pk6 s PRO 91 Ca 0.00 2.19 0.15 0.00 0.04 0.00 0.00 61.00 63.37 1pk6 s PRO 91 Cb 0.00 -3.12 0.46 0.00 0.04 0.00 0.00 34.50 31.88 1pk6 s PRO 91 CO 0.00 -0.26 1.06 0.54 0.04 0.00 0.00 177.00 178.38 1pk6 n ARG 92 N 1.73 2.14 -2.15 4.56 1.74 -1.26 -5.07 116.66 118.35 1pk6 n ARG 92 Ca 0.03 -3.73 -0.42 0.00 -0.77 0.00 0.00 57.85 52.96 1pk6 n ARG 92 Cb 0.42 -1.70 -0.03 0.00 -1.02 0.00 0.00 32.46 30.13 1pk6 n ARG 92 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 1pk6 s PRO 93 N -3.44 4.22 -0.25 5.56 0.02 -1.26 -4.60 135.00 135.24 1pk6 s PRO 93 Ca 0.35 2.03 -0.26 0.00 0.02 0.00 0.00 61.00 63.14 1pk6 s PRO 93 Cb 0.41 -3.82 0.11 0.00 0.02 0.00 0.00 34.50 31.21 1pk6 s PRO 93 CO -0.03 -0.75 0.94 0.00 -0.33 0.00 0.00 177.00 176.83 1pk6 s ALA 94 N 3.47 -1.91 0.15 -1.55 0.00 -1.14 -1.79 121.76 118.99 1pk6 s ALA 94 Ca 0.67 1.84 -0.16 0.00 0.00 0.00 0.00 51.96 54.31 1pk6 s ALA 94 Cb -0.31 -1.19 0.03 0.00 0.00 0.00 0.00 23.12 21.65 1pk6 s ALA 94 CO 0.26 -0.28 0.42 -0.59 0.00 0.00 0.00 175.76 175.56 1pk6 s PHE 95 N -0.00 -0.12 -0.16 0.00 -0.12 0.11 -0.43 117.98 117.25 1pk6 s PHE 95 Ca 0.01 -0.21 -0.10 0.00 -0.05 0.00 0.00 56.93 56.58 1pk6 s PHE 95 Cb -0.04 0.26 0.05 0.00 -0.63 0.00 0.00 43.02 42.66 1pk6 s PHE 95 CO -0.03 -0.75 0.40 -1.12 -0.05 0.00 0.00 175.22 173.67 1pk6 s SER 96 N -2.84 -0.48 0.02 1.98 0.01 -0.11 -1.58 113.70 110.70 1pk6 s SER 96 Ca 0.06 0.85 0.01 0.00 1.31 0.00 0.00 55.95 58.18 1pk6 s SER 96 Cb 0.01 0.76 -0.02 0.00 0.21 0.00 0.00 66.02 66.98 1pk6 s SER 96 CO -0.09 -0.18 -0.04 0.00 0.41 0.00 0.00 173.24 173.35 1pk6 s ALA 97 N 1.14 0.24 0.44 1.44 0.00 -0.04 -1.43 121.76 123.55 1pk6 s ALA 97 Ca -0.08 -0.51 0.03 0.00 0.00 0.00 0.00 51.96 51.41 1pk6 s ALA 97 Cb -0.07 0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 1pk6 s ALA 97 CO -0.10 -0.08 0.09 0.96 0.00 0.00 0.00 175.76 176.63 1pk6 s ILE 98 N -1.09 0.81 -0.10 0.00 -4.36 0.20 -1.02 121.20 115.63 1pk6 s ILE 98 Ca -0.10 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 58.25 1pk6 s ILE 98 Cb -0.08 -2.31 -0.04 0.00 1.25 0.00 0.00 42.46 41.29 1pk6 s ILE 98 CO -0.00 0.00 0.04 -0.13 0.24 0.00 0.00 174.94 175.09 1pk6 s ARG 99 N -3.76 3.15 0.17 0.37 0.52 -1.10 -1.28 118.95 117.02 1pk6 s ARG 99 Ca 0.18 -0.33 0.00 0.00 -0.52 0.00 0.00 55.73 55.06 1pk6 s ARG 99 Cb 0.02 -2.92 0.00 0.00 0.52 0.00 0.00 34.95 32.58 1pk6 s ARG 99 CO 0.11 0.70 0.00 0.54 0.02 0.00 0.00 175.30 176.67 1pk6 n ARG 100 N 2.18 0.00 -3.28 3.54 1.74 -1.26 -4.72 116.66 114.85 1pk6 n ARG 100 Ca -0.19 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.63 1pk6 n ARG 100 Cb 0.54 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.91 1pk6 n ARG 100 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1pk6 n ASN 101 N -2.92 3.06 -4.78 0.55 5.15 -1.26 -4.78 115.26 110.29 1pk6 n ASN 101 Ca 0.00 -3.33 -0.39 0.00 -0.60 0.00 0.00 54.58 50.26 1pk6 n ASN 101 Cb 0.00 -0.64 -0.06 0.00 -0.53 0.00 0.00 39.78 38.55 1pk6 n ASN 101 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1pk6 s PRO 102 N -2.42 4.54 -0.06 1.20 0.04 -1.26 -4.88 135.00 132.16 1pk6 s PRO 102 Ca 0.41 1.14 -0.30 0.00 0.04 0.00 0.00 61.00 62.29 1pk6 s PRO 102 Cb 0.19 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.48 1pk6 s PRO 102 CO -0.06 0.55 1.24 -1.25 0.04 0.00 0.00 177.00 177.52 1pk6 s PRO 103 N -1.24 4.33 0.59 0.56 0.04 -1.26 -5.00 135.00 133.01 1pk6 s PRO 103 Ca 0.37 1.71 -0.07 0.00 0.04 0.00 0.00 61.00 63.04 1pk6 s PRO 103 Cb -0.22 -3.59 -0.01 0.00 0.04 0.00 0.00 34.50 30.72 1pk6 s PRO 103 CO 0.26 -0.50 0.92 -1.64 0.04 0.00 0.00 177.00 176.08 1pk6 s MET 104 N 2.42 3.15 0.00 4.56 -1.94 -1.26 -4.81 119.30 121.41 1pk6 s MET 104 Ca 0.57 0.22 0.00 0.00 -1.71 0.00 0.00 55.69 54.76 1pk6 s MET 104 Cb -0.25 -2.23 0.00 0.00 2.01 0.00 0.00 34.83 34.36 1pk6 s MET 104 CO 0.22 -0.62 0.00 0.41 -0.01 0.00 0.00 175.02 175.02 1pk6 n GLY 105 N -2.59 3.81 0.00 -0.03 0.00 -1.26 -5.15 105.19 99.97 1pk6 n GLY 105 Ca 0.04 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.71 1pk6 n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pk6 n GLY 106 N 0.10 -1.48 0.31 -0.02 0.00 -1.26 -4.62 105.19 98.22 1pk6 n GLY 106 Ca 0.00 -1.57 0.12 0.00 0.00 0.00 0.00 46.02 44.58 1pk6 n GLY 106 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pk6 n ASN 107 N -1.97 1.30 -4.72 1.61 3.02 -1.26 -4.86 115.26 108.37 1pk6 n ASN 107 Ca 0.00 -1.06 -0.42 0.00 -0.03 0.00 0.00 54.58 53.07 1pk6 n ASN 107 Cb 0.00 0.24 -0.04 0.00 -0.61 0.00 0.00 39.78 39.38 1pk6 n ASN 107 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1pk6 s VAL 108 N -2.51 4.47 -0.36 2.41 1.01 -1.26 -0.02 120.40 124.15 1pk6 s VAL 108 Ca 0.22 1.92 -0.20 0.00 0.00 0.00 0.00 61.98 63.92 1pk6 s VAL 108 Cb 0.19 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.35 1pk6 s VAL 108 CO 0.54 0.23 0.61 -0.69 0.00 0.00 0.00 175.10 175.79 1pk6 s VAL 109 N 0.47 4.91 -0.27 2.92 1.01 0.59 -4.91 120.40 125.12 1pk6 s VAL 109 Ca 0.51 0.52 -0.14 0.00 0.00 0.00 0.00 61.98 62.87 1pk6 s VAL 109 Cb -0.24 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 1pk6 s VAL 109 CO 0.30 -0.30 0.33 -0.63 0.00 0.00 0.00 175.10 174.79 1pk6 s ILE 110 N 2.65 5.21 -0.77 2.22 1.01 -1.26 -4.54 121.20 125.71 1pk6 s ILE 110 Ca 0.23 0.46 -0.15 0.00 0.00 0.00 0.00 60.65 61.19 1pk6 s ILE 110 Cb -0.15 -3.66 0.19 0.00 0.01 0.00 0.00 42.46 38.85 1pk6 s ILE 110 CO 0.15 0.17 0.74 -0.36 0.00 0.00 0.00 174.94 175.64 1pk6 s PHE 111 N 2.00 3.57 0.27 3.97 0.40 -1.26 -4.78 117.98 122.15 1pk6 s PHE 111 Ca 0.13 -1.75 0.24 0.00 -0.60 0.00 0.00 56.93 54.95 1pk6 s PHE 111 Cb -0.16 -3.86 1.09 0.00 0.51 0.00 0.00 43.02 40.59 1pk6 s PHE 111 CO 0.10 -1.05 1.91 0.38 0.70 0.00 0.00 175.22 177.26 1pk6 h ASP 112 N 8.16 0.00 -3.63 1.36 2.03 -1.65 -3.41 116.42 119.28 1pk6 h ASP 112 Ca 0.01 0.00 -0.70 0.00 -0.73 0.00 0.00 57.03 55.61 1pk6 h ASP 112 Cb 1.05 0.00 -0.26 0.00 -0.83 0.00 0.00 39.33 39.29 1pk6 h ASP 112 CO 0.86 0.22 -0.56 -0.89 -1.03 0.00 0.00 179.24 177.83 1pk6 s THR 113 N -3.91 4.19 0.03 1.15 2.01 -0.40 -4.86 115.64 113.86 1pk6 s THR 113 Ca -0.01 -0.97 -0.30 0.00 0.31 0.00 0.00 61.69 60.72 1pk6 s THR 113 Cb 0.12 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 1pk6 s THR 113 CO 0.63 -0.19 1.02 -0.69 -0.69 0.00 0.00 174.62 174.69 1pk6 s VAL 114 N 1.48 4.65 -0.24 3.82 1.01 -1.26 0.60 120.40 130.47 1pk6 s VAL 114 Ca 0.00 1.95 -0.03 0.00 0.00 0.00 0.00 61.98 63.90 1pk6 s VAL 114 Cb -0.19 -4.25 -0.14 0.00 0.00 0.00 0.00 36.38 31.80 1pk6 s VAL 114 CO 0.05 0.18 -0.24 -0.38 0.00 0.00 0.00 175.10 174.70 1pk6 n ILE 115 N 3.68 1.33 -3.83 2.22 2.08 -0.52 -4.95 119.36 119.37 1pk6 n ILE 115 Ca 0.06 -0.45 -0.12 0.00 0.56 0.00 0.00 62.75 62.80 1pk6 n ILE 115 Cb 0.50 -1.49 -0.12 0.00 -0.75 0.00 0.00 39.64 37.78 1pk6 n ILE 115 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 1pk6 s THR 116 N -2.46 0.02 -0.47 1.39 2.01 -0.91 -4.97 115.64 110.25 1pk6 s THR 116 Ca -0.32 -0.18 0.06 0.00 0.31 0.00 0.00 61.69 61.56 1pk6 s THR 116 Cb 0.10 -0.28 0.30 0.00 0.01 0.00 0.00 72.50 72.62 1pk6 s THR 116 CO 0.50 -0.10 1.05 -3.20 -0.69 0.00 0.00 174.62 172.18 1pk6 n ASN 117 N 2.61 -2.51 -4.65 3.53 5.15 -1.24 -0.93 115.26 117.21 1pk6 n ASN 117 Ca -0.15 -3.57 -0.43 0.00 -0.60 0.00 0.00 54.58 49.84 1pk6 n ASN 117 Cb 0.58 1.90 -0.03 0.00 -0.53 0.00 0.00 39.78 41.70 1pk6 n ASN 117 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1pk6 s GLN 118 N 0.40 3.99 -0.13 1.20 2.00 0.43 -1.48 119.66 126.07 1pk6 s GLN 118 Ca 0.25 2.01 0.00 0.00 -2.00 0.00 0.00 55.36 55.62 1pk6 s GLN 118 Cb 0.27 -4.03 0.00 0.00 0.80 0.00 0.00 33.01 30.05 1pk6 s GLN 118 CO -0.11 -1.07 0.00 0.39 -0.50 0.00 0.00 175.29 173.99 1pk6 n GLU 119 N 7.41 -0.10 -4.06 1.67 1.02 -1.26 -2.87 120.64 122.45 1pk6 n GLU 119 Ca 0.19 0.47 -0.27 0.00 -0.02 0.00 0.00 57.16 57.52 1pk6 n GLU 119 Cb 0.44 -3.96 -0.08 0.00 -0.02 0.00 0.00 31.44 27.82 1pk6 n GLU 119 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1pk6 n GLU 120 N -2.92 -0.93 -0.04 3.49 1.02 -0.55 -4.86 120.64 115.85 1pk6 n GLU 120 Ca -0.01 0.07 -0.08 0.00 -0.02 0.00 0.00 57.16 57.12 1pk6 n GLU 120 Cb 0.04 -3.04 0.09 0.00 -0.02 0.00 0.00 31.44 28.51 1pk6 n GLU 120 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1pk6 h PRO 121 N -1.40 0.67 -6.04 3.49 0.11 -1.82 -3.44 132.00 123.57 1pk6 h PRO 121 Ca -0.57 -0.32 -0.56 0.00 0.11 0.00 0.00 66.00 64.66 1pk6 h PRO 121 Cb 1.20 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 1pk6 h PRO 121 CO 0.60 0.92 0.10 -0.47 -0.21 0.00 0.00 178.00 178.95 1pk6 s TYR 122 N -4.37 3.57 -0.45 0.65 5.04 -1.26 -0.87 117.35 119.66 1pk6 s TYR 122 Ca -0.08 1.26 -0.16 0.00 -2.44 0.00 0.00 57.07 55.65 1pk6 s TYR 122 Cb 0.12 -2.82 0.05 0.00 0.35 0.00 0.00 41.96 39.66 1pk6 s TYR 122 CO 0.83 0.07 0.40 -0.65 -1.34 0.00 0.00 175.55 174.87 1pk6 s GLN 123 N 0.86 3.01 0.32 4.97 -0.21 0.02 -4.95 119.66 123.67 1pk6 s GLN 123 Ca 0.38 -1.12 0.25 0.00 0.02 0.00 0.00 55.36 54.89 1pk6 s GLN 123 Cb -0.18 -4.06 1.12 0.00 1.00 0.00 0.00 33.01 30.90 1pk6 s GLN 123 CO 0.18 -0.94 1.75 -2.95 -2.12 0.00 0.00 175.29 171.21 1pk6 h ASN 124 N 8.74 0.00 1.26 5.90 7.08 -1.87 -0.08 115.58 136.61 1pk6 h ASN 124 Ca -0.28 0.00 -0.10 0.00 -3.08 0.00 0.00 56.30 52.85 1pk6 h ASN 124 Cb 1.11 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 37.34 1pk6 h ASN 124 CO 0.83 0.00 -0.77 1.12 -2.08 0.00 0.00 177.43 176.53 1pk6 h HIS 125 N 0.00 0.00 0.00 4.14 2.07 -1.89 -3.36 115.15 116.10 1pk6 h HIS 125 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1pk6 h HIS 125 Cb 0.26 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.24 1pk6 h HIS 125 CO 0.00 0.39 -0.41 -1.13 -3.07 0.00 0.00 177.93 173.71 1pk6 n SER 126 N -3.03 1.95 -0.02 3.10 3.41 -0.96 -5.01 113.62 113.06 1pk6 n SER 126 Ca -0.01 -0.31 -0.00 0.00 -0.26 0.00 0.00 58.87 58.29 1pk6 n SER 126 Cb 0.71 1.01 -0.00 0.00 -0.26 0.00 0.00 64.21 65.67 1pk6 n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pk6 n GLY 127 N 1.59 0.47 3.61 5.00 0.00 -0.08 -4.77 105.19 111.01 1pk6 n GLY 127 Ca 0.00 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 1pk6 n GLY 127 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pk6 s ARG 128 N -0.50 2.96 0.03 1.61 0.52 -1.23 -4.40 118.95 117.95 1pk6 s ARG 128 Ca 0.00 -0.49 -0.10 0.00 -0.52 0.00 0.00 55.73 54.62 1pk6 s ARG 128 Cb 0.00 -2.71 -0.05 0.00 0.52 0.00 0.00 34.95 32.70 1pk6 s ARG 128 CO 0.00 0.63 0.35 0.12 0.02 0.00 0.00 175.30 176.42 1pk6 s PHE 129 N -0.69 3.62 -0.13 -0.53 5.36 0.71 -0.80 117.98 125.52 1pk6 s PHE 129 Ca 0.11 0.77 0.01 0.00 -0.96 0.00 0.00 56.93 56.86 1pk6 s PHE 129 Cb -0.12 -2.13 0.02 0.00 -0.34 0.00 0.00 43.02 40.45 1pk6 s PHE 129 CO 0.02 0.59 -0.15 0.08 -1.46 0.00 0.00 175.22 174.30 1pk6 s VAL 130 N -1.27 1.56 -0.03 3.12 1.01 -0.05 -1.27 120.40 123.47 1pk6 s VAL 130 Ca 0.28 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.31 1pk6 s VAL 130 Cb -0.14 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 1pk6 s VAL 130 CO 0.15 0.45 1.07 0.00 0.00 0.00 0.00 175.10 176.78 1pk6 n THR 132 N 4.24 1.06 -3.00 0.00 -1.04 -1.26 -0.75 114.28 113.53 1pk6 n THR 132 Ca 0.08 -0.07 -0.42 0.00 -2.04 0.00 0.00 64.05 61.60 1pk6 n THR 132 Cb 0.49 -1.82 -0.06 0.00 -1.82 0.00 0.00 70.33 67.12 1pk6 n THR 132 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1pk6 s VAL 133 N -2.38 4.77 0.37 12.58 1.01 -1.26 -4.56 120.40 130.93 1pk6 s VAL 133 Ca -0.21 0.75 -0.28 0.00 0.00 0.00 0.00 61.98 62.24 1pk6 s VAL 133 Cb 0.07 -4.19 -0.11 0.00 0.00 0.00 0.00 36.38 32.16 1pk6 s VAL 133 CO 0.28 -0.43 1.44 -2.84 0.00 0.00 0.00 175.10 173.54 1pk6 s PRO 134 N 3.01 4.13 0.00 2.72 0.02 -1.26 -4.88 135.00 138.74 1pk6 s PRO 134 Ca 0.29 2.47 0.00 0.00 0.02 0.00 0.00 61.00 63.79 1pk6 s PRO 134 Cb -0.13 -2.96 0.00 0.00 0.02 0.00 0.00 34.50 31.43 1pk6 s PRO 134 CO 0.17 -0.48 0.00 0.41 -0.33 0.00 0.00 177.00 176.77 1pk6 n GLY 135 N 0.54 -0.87 3.66 0.52 0.00 -0.80 -0.75 105.19 107.50 1pk6 n GLY 135 Ca 0.01 -1.33 -0.38 0.00 0.00 0.00 0.00 46.02 44.32 1pk6 n GLY 135 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pk6 s TYR 136 N -2.86 3.35 0.18 1.61 1.51 -0.01 -0.75 117.35 120.38 1pk6 s TYR 136 Ca 0.00 0.46 0.11 0.00 -1.01 0.00 0.00 57.07 56.64 1pk6 s TYR 136 Cb 0.00 -2.44 -0.04 0.00 -0.11 0.00 0.00 41.96 39.37 1pk6 s TYR 136 CO 0.00 0.00 -0.24 0.71 -1.11 0.00 0.00 175.55 174.91 1pk6 s TYR 137 N 1.26 2.30 -0.10 2.71 1.51 -0.31 0.43 117.35 125.15 1pk6 s TYR 137 Ca 0.15 -0.36 0.01 0.00 -1.01 0.00 0.00 57.07 55.86 1pk6 s TYR 137 Cb -0.14 -1.16 -0.02 0.00 -0.11 0.00 0.00 41.96 40.53 1pk6 s TYR 137 CO 0.07 0.47 -0.13 -0.47 -1.11 0.00 0.00 175.55 174.38 1pk6 s TYR 138 N -1.58 2.78 0.03 2.71 5.04 0.03 -0.47 117.35 125.88 1pk6 s TYR 138 Ca 0.20 -0.47 0.06 0.00 -2.44 0.00 0.00 57.07 54.42 1pk6 s TYR 138 Cb -0.08 -1.77 -0.02 0.00 0.35 0.00 0.00 41.96 40.44 1pk6 s TYR 138 CO 0.09 -0.07 -0.18 -0.06 -1.34 0.00 0.00 175.55 173.99 1pk6 s PHE 139 N -0.04 1.61 0.01 4.97 0.40 -0.36 -1.56 117.98 123.01 1pk6 s PHE 139 Ca -0.03 -0.35 -0.21 0.00 -0.60 0.00 0.00 56.93 55.74 1pk6 s PHE 139 Cb -0.14 -0.98 0.04 0.00 0.51 0.00 0.00 43.02 42.45 1pk6 s PHE 139 CO 0.04 0.04 0.48 -0.08 0.70 0.00 0.00 175.22 176.40 1pk6 s THR 140 N -0.69 0.04 0.03 0.64 -1.32 -0.59 -0.91 115.64 112.83 1pk6 s THR 140 Ca 0.06 -0.30 0.00 0.00 -1.21 0.00 0.00 61.69 60.24 1pk6 s THR 140 Cb -0.08 -0.89 -0.03 0.00 -1.51 0.00 0.00 72.50 70.00 1pk6 s THR 140 CO 0.01 -0.17 -0.04 0.72 -2.21 0.00 0.00 174.62 172.94 1pk6 s PHE 141 N -1.90 0.39 -0.26 9.09 -0.12 -0.30 -1.13 117.98 123.74 1pk6 s PHE 141 Ca -0.09 -0.67 -0.04 0.00 -0.05 0.00 0.00 56.93 56.09 1pk6 s PHE 141 Cb -0.02 -0.27 0.09 0.00 -0.63 0.00 0.00 43.02 42.19 1pk6 s PHE 141 CO 0.02 -0.22 0.12 -0.65 -0.05 0.00 0.00 175.22 174.44 1pk6 s GLN 142 N -2.13 0.20 -0.06 1.99 1.11 -0.59 -2.32 119.66 117.85 1pk6 s GLN 142 Ca -0.09 -0.44 0.03 0.00 0.01 0.00 0.00 55.36 54.87 1pk6 s GLN 142 Cb -0.05 -1.39 -0.02 0.00 -1.01 0.00 0.00 33.01 30.53 1pk6 s GLN 142 CO -0.03 -0.92 -0.14 0.08 0.01 0.00 0.00 175.29 174.29 1pk6 s VAL 143 N 2.08 3.04 -0.09 1.09 1.01 -0.30 -0.70 120.40 126.52 1pk6 s VAL 143 Ca 0.07 -0.72 -0.18 0.00 0.00 0.00 0.00 61.98 61.14 1pk6 s VAL 143 Cb -0.16 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1pk6 s VAL 143 CO -0.29 0.58 0.49 -0.22 0.00 0.00 0.00 175.10 175.67 1pk6 s LEU 144 N -0.55 4.32 0.05 3.92 2.96 -1.26 -1.17 118.68 126.95 1pk6 s LEU 144 Ca 0.08 0.89 -0.04 0.00 -0.22 0.00 0.00 54.13 54.84 1pk6 s LEU 144 Cb -0.12 -2.73 -0.02 0.00 0.50 0.00 0.00 46.19 43.83 1pk6 s LEU 144 CO 0.01 0.04 0.05 -0.55 -1.32 0.00 0.00 176.35 174.58 1pk6 s SER 145 N 0.35 0.31 0.00 3.68 0.15 -0.26 -0.67 113.70 117.26 1pk6 s SER 145 Ca 0.27 -0.75 0.02 0.00 0.70 0.00 0.00 55.95 56.19 1pk6 s SER 145 Cb -0.16 0.22 -0.02 0.00 -1.71 0.00 0.00 66.02 64.35 1pk6 s SER 145 CO 0.12 -0.56 0.13 0.00 1.20 0.00 0.00 173.24 174.12 1pk6 n GLN 146 N 0.43 5.81 0.00 5.44 6.02 -1.26 -0.23 117.38 133.59 1pk6 n GLN 146 Ca -0.17 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.78 1pk6 n GLN 146 Cb 0.60 -0.64 0.00 0.00 1.02 0.00 0.00 30.24 31.22 1pk6 n GLN 146 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1pk6 n TRP 147 N -0.98 0.00 -3.94 1.08 7.02 -1.26 -0.32 117.44 119.05 1pk6 n TRP 147 Ca 0.00 0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 56.25 1pk6 n TRP 147 Cb 0.04 0.00 -0.17 0.00 -2.42 0.00 0.00 31.31 28.76 1pk6 n TRP 147 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 1pk6 s GLU 148 N 0.26 1.01 -0.05 -0.99 2.02 -1.26 -0.90 118.70 118.79 1pk6 s GLU 148 Ca 0.00 -0.08 -0.04 0.00 0.02 0.00 0.00 54.97 54.87 1pk6 s GLU 148 Cb 0.00 -1.17 0.02 0.00 0.10 0.00 0.00 34.13 33.07 1pk6 s GLU 148 CO 0.00 -0.23 0.14 -1.50 0.02 0.00 0.00 175.26 173.68 1pk6 s ILE 149 N 1.61 -0.01 -0.06 -1.63 2.07 -0.67 -2.29 121.20 120.22 1pk6 s ILE 149 Ca 0.01 0.02 -0.01 0.00 -1.41 0.00 0.00 60.65 59.27 1pk6 s ILE 149 Cb -0.13 -0.20 0.03 0.00 0.13 0.00 0.00 42.46 42.29 1pk6 s ILE 149 CO -0.05 0.01 -0.02 0.00 -1.91 0.00 0.00 174.94 172.98 1pk6 s LEU 151 N 1.60 2.31 0.01 0.00 1.43 0.11 -1.41 118.68 122.72 1pk6 s LEU 151 Ca -0.01 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 52.41 1pk6 s LEU 151 Cb -0.13 -0.75 -0.01 0.00 0.03 0.00 0.00 46.19 45.33 1pk6 s LEU 151 CO -0.04 -0.00 -0.02 -0.55 0.23 0.00 0.00 176.35 175.97 1pk6 s SER 152 N -1.96 0.17 -0.30 2.29 0.15 -0.34 -0.36 113.70 113.34 1pk6 s SER 152 Ca 0.05 -0.17 -0.19 0.00 0.70 0.00 0.00 55.95 56.34 1pk6 s SER 152 Cb -0.09 0.02 -0.01 0.00 -1.71 0.00 0.00 66.02 64.22 1pk6 s SER 152 CO 0.04 -0.08 0.57 -0.63 1.20 0.00 0.00 173.24 174.34 1pk6 s ILE 153 N -0.46 4.99 0.18 6.45 1.01 -1.24 -1.01 121.20 131.12 1pk6 s ILE 153 Ca -0.04 0.75 0.08 0.00 0.00 0.00 0.00 60.65 61.44 1pk6 s ILE 153 Cb -0.03 -3.94 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 1pk6 s ILE 153 CO -0.00 -0.09 -0.02 -0.69 0.00 0.00 0.00 174.94 174.13 1pk6 s VAL 154 N 2.48 3.60 0.24 2.92 1.01 0.29 -4.18 120.40 126.76 1pk6 s VAL 154 Ca 0.23 -1.50 0.01 0.00 0.00 0.00 0.00 61.98 60.71 1pk6 s VAL 154 Cb -0.15 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 1pk6 s VAL 154 CO 0.11 -0.13 0.14 -0.94 0.00 0.00 0.00 175.10 174.29 1pk6 s SER 155 N -2.96 0.73 0.01 3.32 1.04 -1.10 -0.82 113.70 113.92 1pk6 s SER 155 Ca 0.27 -1.45 -0.02 0.00 0.48 0.00 0.00 55.95 55.23 1pk6 s SER 155 Cb -0.09 0.35 -0.01 0.00 0.10 0.00 0.00 66.02 66.37 1pk6 s SER 155 CO 0.18 -0.84 0.03 -0.94 0.98 0.00 0.00 173.24 172.64 1pk6 s SER 156 N -3.25 0.16 -0.09 7.02 1.04 0.14 -0.54 113.70 118.18 1pk6 s SER 156 Ca 0.38 -0.38 -0.04 0.00 0.48 0.00 0.00 55.95 56.40 1pk6 s SER 156 Cb 0.06 0.13 0.05 0.00 0.10 0.00 0.00 66.02 66.36 1pk6 s SER 156 CO 0.15 -0.31 0.19 -0.55 0.98 0.00 0.00 173.24 173.71 1pk6 s SER 157 N -1.35 0.15 -1.55 7.02 0.15 -0.53 -1.80 113.70 115.79 1pk6 s SER 157 Ca -0.15 0.42 -0.05 0.00 0.70 0.00 0.00 55.95 56.87 1pk6 s SER 157 Cb -0.09 0.35 0.01 0.00 -1.71 0.00 0.00 66.02 64.59 1pk6 s SER 157 CO -0.00 -0.19 0.59 0.54 1.20 0.00 0.00 173.24 175.38 1pk6 n ARG 158 N 4.70 -4.76 -0.22 5.44 1.74 -1.26 -0.98 116.66 121.31 1pk6 n ARG 158 Ca -0.17 0.88 0.00 0.00 -0.77 0.00 0.00 57.85 57.79 1pk6 n ARG 158 Cb 0.51 -5.74 0.00 0.00 -1.02 0.00 0.00 32.46 26.21 1pk6 n ARG 158 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pk6 n GLY 159 N -1.49 2.15 3.62 -0.13 0.00 -1.26 -4.98 105.19 103.09 1pk6 n GLY 159 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1pk6 n GLY 159 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pk6 s GLN 160 N -0.04 4.04 0.13 1.61 -1.52 -0.15 -5.04 119.66 118.69 1pk6 s GLN 160 Ca 0.00 0.67 -0.30 0.00 -1.95 0.00 0.00 55.36 53.77 1pk6 s GLN 160 Cb 0.00 -3.70 -0.07 0.00 -0.22 0.00 0.00 33.01 29.02 1pk6 s GLN 160 CO 0.00 -0.61 1.27 0.08 -0.25 0.00 0.00 175.29 175.78 1pk6 s VAL 161 N 2.87 3.57 -0.34 1.09 1.01 -1.26 -1.45 120.40 125.89 1pk6 s VAL 161 Ca 0.32 1.20 0.04 0.00 0.00 0.00 0.00 61.98 63.54 1pk6 s VAL 161 Cb -0.15 -3.77 0.10 0.00 0.00 0.00 0.00 36.38 32.56 1pk6 s VAL 161 CO 0.11 0.14 0.04 -0.13 0.00 0.00 0.00 175.10 175.25 1pk6 s ARG 162 N 0.51 1.54 0.58 2.72 0.52 0.30 -4.98 118.95 120.14 1pk6 s ARG 162 Ca 0.58 -1.84 -0.18 0.00 -0.52 0.00 0.00 55.73 53.77 1pk6 s ARG 162 Cb -0.34 -3.19 -0.04 0.00 0.52 0.00 0.00 34.95 31.90 1pk6 s ARG 162 CO 0.33 -0.92 1.11 1.03 0.02 0.00 0.00 175.30 176.88 1pk6 s ARG 163 N 0.92 3.19 0.00 3.54 1.81 -1.26 -2.71 118.95 124.44 1pk6 s ARG 163 Ca 0.10 1.49 0.00 0.00 -1.72 0.00 0.00 55.73 55.59 1pk6 s ARG 163 Cb -0.19 -1.99 0.00 0.00 -0.45 0.00 0.00 34.95 32.31 1pk6 s ARG 163 CO -0.08 -0.96 0.00 0.45 -0.68 0.00 0.00 175.30 174.03 1pk6 n SER 164 N -1.72 0.00 -4.71 0.23 2.88 -1.26 -4.98 113.62 104.06 1pk6 n SER 164 Ca 0.11 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.30 1pk6 n SER 164 Cb 0.52 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 64.08 1pk6 n SER 164 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1pk6 s LEU 165 N 0.00 3.33 0.26 2.46 1.02 -1.26 -4.90 118.68 119.59 1pk6 s LEU 165 Ca 0.00 2.48 0.12 0.00 0.02 0.00 0.00 54.13 56.75 1pk6 s LEU 165 Cb 0.00 -4.60 -0.05 0.00 0.02 0.00 0.00 46.19 41.56 1pk6 s LEU 165 CO 0.00 -2.37 -0.21 -0.83 0.02 0.00 0.00 176.35 172.96 1pk6 s GLY 166 N -1.82 1.83 -0.10 -3.19 0.00 -1.26 -3.71 107.32 99.07 1pk6 s GLY 166 Ca 0.77 -1.81 -0.04 0.00 0.00 0.00 0.00 44.72 43.63 1pk6 s GLY 166 CO 0.46 -1.89 0.22 -1.36 0.00 0.00 0.00 173.10 170.53 1pk6 s PHE 167 N -2.31 -0.31 0.18 1.90 0.40 0.51 -4.97 117.98 113.37 1pk6 s PHE 167 Ca 0.27 0.76 0.06 0.00 -0.60 0.00 0.00 56.93 57.43 1pk6 s PHE 167 Cb -0.06 -0.04 -0.05 0.00 0.51 0.00 0.00 43.02 43.39 1pk6 s PHE 167 CO 0.13 -0.26 -0.11 0.00 0.70 0.00 0.00 175.22 175.69 1pk6 s ASP 169 N -3.24 2.11 -0.24 0.00 -1.08 -0.07 -4.96 116.67 109.20 1pk6 s ASP 169 Ca 0.20 -0.42 0.11 0.00 -0.52 0.00 0.00 52.55 51.92 1pk6 s ASP 169 Cb 0.02 -0.39 0.46 0.00 -1.46 0.00 0.00 42.92 41.55 1pk6 s ASP 169 CO 0.04 -0.28 1.36 0.35 0.52 0.00 0.00 175.17 177.16 1pk6 n THR 170 N 5.18 2.36 -0.10 1.71 -2.24 -1.26 -1.67 114.28 118.26 1pk6 n THR 170 Ca -0.07 -2.76 -0.06 0.00 -2.27 0.00 0.00 64.05 58.89 1pk6 n THR 170 Cb 0.49 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 1pk6 n THR 170 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1pk6 h THR 171 N 0.98 0.43 -5.25 4.28 2.02 -1.96 -3.47 112.91 109.95 1pk6 h THR 171 Ca 0.11 0.00 -0.34 0.00 0.77 0.00 0.00 66.41 66.95 1pk6 h THR 171 Cb 1.38 0.43 0.13 0.00 -1.74 0.00 0.00 68.15 68.35 1pk6 h THR 171 CO 0.22 0.00 -0.61 -3.20 0.37 0.00 0.00 175.52 172.30 1pk6 n ASN 172 N -5.37 -5.36 -0.39 4.18 4.05 -0.08 -4.92 115.26 107.37 1pk6 n ASN 172 Ca 0.01 -0.48 0.04 0.00 0.45 0.00 0.00 54.58 54.60 1pk6 n ASN 172 Cb 0.28 -4.50 0.07 0.00 1.23 0.00 0.00 39.78 36.86 1pk6 n ASN 172 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1pk6 n LYS 173 N -4.37 1.28 -0.94 1.20 4.76 -1.24 -4.96 118.16 113.90 1pk6 n LYS 173 Ca -0.03 -1.37 0.00 0.00 -2.87 0.00 0.00 58.31 54.05 1pk6 n LYS 173 Cb 0.57 -1.17 0.00 0.00 -1.84 0.00 0.00 35.03 32.58 1pk6 n LYS 173 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1pk6 n GLY 174 N 0.37 0.60 3.64 0.72 0.00 0.57 -5.03 105.19 106.06 1pk6 n GLY 174 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1pk6 n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pk6 s LEU 175 N 0.00 3.26 0.16 0.99 1.43 -1.15 -4.89 118.68 118.48 1pk6 s LEU 175 Ca 0.00 -0.34 -0.34 0.00 -1.03 0.00 0.00 54.13 52.42 1pk6 s LEU 175 Cb 0.00 -1.98 -0.14 0.00 0.03 0.00 0.00 46.19 44.10 1pk6 s LEU 175 CO 0.00 0.14 1.50 0.49 0.23 0.00 0.00 176.35 178.71 1pk6 n PHE 176 N 0.34 2.12 -3.76 0.29 0.99 -1.26 -4.17 117.46 112.00 1pk6 n PHE 176 Ca -0.11 0.36 -0.13 0.00 -0.00 0.00 0.00 57.45 57.57 1pk6 n PHE 176 Cb 0.53 -2.49 -0.14 0.00 -1.00 0.00 0.00 39.48 36.38 1pk6 n PHE 176 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 1pk6 s GLN 177 N 0.60 0.11 -0.31 -1.08 -1.52 0.67 -4.99 119.66 113.15 1pk6 s GLN 177 Ca 0.78 0.34 -0.11 0.00 -1.95 0.00 0.00 55.36 54.42 1pk6 s GLN 177 Cb -0.72 -0.12 -0.02 0.00 -0.22 0.00 0.00 33.01 31.93 1pk6 s GLN 177 CO 0.41 -0.13 0.18 0.08 -0.25 0.00 0.00 175.29 175.58 1pk6 s VAL 178 N 0.93 4.93 -0.03 1.09 1.01 -1.26 -1.10 120.40 125.98 1pk6 s VAL 178 Ca -0.07 -0.21 -0.14 0.00 0.00 0.00 0.00 61.98 61.57 1pk6 s VAL 178 Cb -0.09 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 1pk6 s VAL 178 CO -0.05 0.11 0.36 0.54 0.00 0.00 0.00 175.10 176.07 1pk6 s VAL 179 N 1.68 5.12 0.11 2.92 0.11 -0.32 -4.92 120.40 125.10 1pk6 s VAL 179 Ca 0.06 0.73 0.02 0.00 -2.93 0.00 0.00 61.98 59.86 1pk6 s VAL 179 Cb -0.17 -3.66 -0.04 0.00 -1.53 0.00 0.00 36.38 30.98 1pk6 s VAL 179 CO 0.08 0.57 -0.08 -0.94 -3.33 0.00 0.00 175.10 171.41 1pk6 s SER 180 N -0.98 1.28 -0.01 3.54 1.04 -1.26 -1.15 113.70 116.15 1pk6 s SER 180 Ca 0.22 -0.98 -0.30 0.00 0.48 0.00 0.00 55.95 55.37 1pk6 s SER 180 Cb -0.16 0.07 0.11 0.00 0.10 0.00 0.00 66.02 66.14 1pk6 s SER 180 CO 0.11 -0.42 1.06 -0.83 0.98 0.00 0.00 173.24 174.15 1pk6 s GLY 181 N -2.99 -0.36 0.00 7.32 0.00 -0.98 -4.87 107.32 105.44 1pk6 s GLY 181 Ca 0.12 0.88 0.00 0.00 0.00 0.00 0.00 44.72 45.72 1pk6 s GLY 181 CO -0.03 0.26 0.00 0.61 0.00 0.00 0.00 173.10 173.94 1pk6 n GLY 182 N -0.31 0.59 3.57 0.20 0.00 -1.26 -1.15 105.19 106.82 1pk6 n GLY 182 Ca -0.06 -0.68 -0.06 0.00 0.00 0.00 0.00 46.02 45.22 1pk6 n GLY 182 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1pk6 s MET 183 N -2.00 0.64 0.02 1.61 0.23 -0.09 -4.99 119.30 114.71 1pk6 s MET 183 Ca 0.00 -0.26 -0.17 0.00 -1.03 0.00 0.00 55.69 54.23 1pk6 s MET 183 Cb 0.00 0.28 -0.06 0.00 -1.53 0.00 0.00 34.83 33.52 1pk6 s MET 183 CO 0.00 -0.28 0.49 0.08 -2.03 0.00 0.00 175.02 173.28 1pk6 s VAL 184 N -2.83 4.91 -0.05 5.16 1.01 -1.26 -1.23 120.40 126.12 1pk6 s VAL 184 Ca 0.08 1.03 0.02 0.00 0.00 0.00 0.00 61.98 63.11 1pk6 s VAL 184 Cb -0.01 -3.81 0.01 0.00 0.00 0.00 0.00 36.38 32.58 1pk6 s VAL 184 CO -0.06 0.54 -0.10 -0.76 0.00 0.00 0.00 175.10 174.72 1pk6 s LEU 185 N -0.92 1.66 -0.27 3.92 1.43 0.38 -4.98 118.68 119.90 1pk6 s LEU 185 Ca 0.26 -0.24 -0.20 0.00 -1.03 0.00 0.00 54.13 52.92 1pk6 s LEU 185 Cb -0.18 -0.68 -0.02 0.00 0.03 0.00 0.00 46.19 45.35 1pk6 s LEU 185 CO 0.16 0.04 0.64 -1.58 0.23 0.00 0.00 176.35 175.83 1pk6 s GLN 186 N 0.49 4.06 0.11 1.70 0.74 -1.26 -1.16 119.66 124.35 1pk6 s GLN 186 Ca -0.09 0.50 0.08 0.00 0.05 0.00 0.00 55.36 55.89 1pk6 s GLN 186 Cb -0.13 -3.67 -0.04 0.00 1.10 0.00 0.00 33.01 30.27 1pk6 s GLN 186 CO 0.02 -0.46 -0.12 -0.51 -0.55 0.00 0.00 175.29 173.67 1pk6 s LEU 187 N 2.55 2.94 0.30 3.68 1.43 0.07 -4.99 118.68 124.66 1pk6 s LEU 187 Ca 0.26 -0.45 0.08 0.00 -1.03 0.00 0.00 54.13 52.99 1pk6 s LEU 187 Cb -0.15 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 1pk6 s LEU 187 CO 0.09 0.17 0.18 -1.10 0.23 0.00 0.00 176.35 175.93 1pk6 s GLN 188 N -2.22 2.64 0.11 1.70 -0.21 -1.26 -1.90 119.66 118.52 1pk6 s GLN 188 Ca 0.21 -1.29 -0.35 0.00 0.02 0.00 0.00 55.36 53.95 1pk6 s GLN 188 Cb -0.11 -2.39 -0.14 0.00 1.00 0.00 0.00 33.01 31.37 1pk6 s GLN 188 CO 0.13 0.24 1.56 0.94 -2.12 0.00 0.00 175.29 176.04 1pk6 n GLN 189 N -1.18 1.89 0.00 2.91 7.27 -1.26 -1.52 117.38 125.49 1pk6 n GLN 189 Ca -0.05 0.68 0.00 0.00 0.07 0.00 0.00 57.00 57.71 1pk6 n GLN 189 Cb 0.59 -2.43 0.00 0.00 2.41 0.00 0.00 30.24 30.81 1pk6 n GLN 189 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1pk6 n GLY 190 N 3.33 2.35 3.75 1.69 0.00 0.07 -4.97 105.19 111.41 1pk6 n GLY 190 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1pk6 n GLY 190 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pk6 s ASP 191 N -1.59 5.10 0.05 1.61 -0.00 -0.57 -4.72 116.67 116.55 1pk6 s ASP 191 Ca 0.00 2.37 0.08 0.00 -0.00 0.00 0.00 52.55 55.00 1pk6 s ASP 191 Cb 0.00 -2.60 -0.03 0.00 -0.00 0.00 0.00 42.92 40.30 1pk6 s ASP 191 CO 0.00 -1.66 -0.21 -1.10 -0.00 0.00 0.00 175.17 172.20 1pk6 s GLN 192 N -3.42 1.39 -0.01 8.23 -0.21 -0.75 -0.69 119.66 124.20 1pk6 s GLN 192 Ca 0.77 -0.99 0.04 0.00 0.02 0.00 0.00 55.36 55.19 1pk6 s GLN 192 Cb -0.30 -1.54 -0.01 0.00 1.00 0.00 0.00 33.01 32.16 1pk6 s GLN 192 CO 0.34 0.39 -0.12 0.08 -2.12 0.00 0.00 175.29 173.86 1pk6 s VAL 193 N -0.85 0.97 0.22 1.09 1.01 -0.40 0.25 120.40 122.69 1pk6 s VAL 193 Ca 0.08 -0.52 -0.22 0.00 0.00 0.00 0.00 61.98 61.31 1pk6 s VAL 193 Cb -0.09 -0.81 0.04 0.00 0.00 0.00 0.00 36.38 35.52 1pk6 s VAL 193 CO 0.02 0.28 0.74 -1.66 0.00 0.00 0.00 175.10 174.48 1pk6 s TRP 194 N -0.27 -0.26 -0.16 5.22 -2.14 -0.00 -0.21 118.94 121.12 1pk6 s TRP 194 Ca 0.04 -0.11 -0.07 0.00 2.66 0.00 0.00 56.10 58.62 1pk6 s TRP 194 Cb -0.05 0.66 -0.04 0.00 -3.10 0.00 0.00 33.47 30.94 1pk6 s TRP 194 CO -0.00 -1.06 0.09 0.08 -2.66 0.00 0.00 176.95 173.39 1pk6 s VAL 195 N -3.74 5.04 0.06 -0.66 1.01 -1.26 -0.55 120.40 120.30 1pk6 s VAL 195 Ca 0.09 0.05 0.09 0.00 0.00 0.00 0.00 61.98 62.21 1pk6 s VAL 195 Cb -0.04 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 1pk6 s VAL 195 CO 0.01 0.51 -0.24 -1.61 0.00 0.00 0.00 175.10 173.77 1pk6 s GLU 196 N -0.07 1.56 0.16 2.72 2.02 -0.18 -0.30 118.70 124.61 1pk6 s GLU 196 Ca 0.08 -1.08 0.05 0.00 0.02 0.00 0.00 54.97 54.04 1pk6 s GLU 196 Cb -0.12 -1.76 -0.04 0.00 0.10 0.00 0.00 34.13 32.31 1pk6 s GLU 196 CO 0.01 0.45 0.14 -1.59 0.02 0.00 0.00 175.26 174.28 1pk6 s LYS 197 N -1.36 2.92 0.02 1.61 -2.85 0.97 -1.20 119.74 119.86 1pk6 s LYS 197 Ca 0.10 -0.85 -0.30 0.00 -1.00 0.00 0.00 55.97 53.92 1pk6 s LYS 197 Cb -0.10 -2.66 -0.04 0.00 -2.06 0.00 0.00 37.83 32.97 1pk6 s LYS 197 CO 0.03 0.49 1.07 0.34 0.10 0.00 0.00 175.35 177.37 1pk6 s ASP 198 N -3.09 7.25 0.50 0.03 -1.08 -0.50 -4.82 116.67 114.96 1pk6 s ASP 198 Ca 0.31 1.79 0.17 0.00 -0.52 0.00 0.00 52.55 54.30 1pk6 s ASP 198 Cb -0.10 -2.57 1.23 0.00 -1.46 0.00 0.00 42.92 40.01 1pk6 s ASP 198 CO 0.24 -0.36 2.11 1.55 0.52 0.00 0.00 175.17 179.23 1pk6 h PRO 199 N 6.83 0.00 0.00 4.34 0.13 -1.95 -2.12 132.00 139.23 1pk6 h PRO 199 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1pk6 h PRO 199 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1pk6 h PRO 199 CO 0.78 0.05 -0.45 1.63 -0.23 0.00 0.00 178.00 179.79 1pk6 n LYS 200 N -4.42 0.20 -3.15 0.86 4.76 -1.26 -4.38 118.16 110.77 1pk6 n LYS 200 Ca -0.03 0.08 -0.21 0.00 -2.87 0.00 0.00 58.31 55.29 1pk6 n LYS 200 Cb 0.14 -1.65 -0.06 0.00 -1.84 0.00 0.00 35.03 31.62 1pk6 n LYS 200 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1pk6 n LYS 201 N -1.96 0.50 -0.85 1.97 5.02 -0.84 -4.99 118.16 117.01 1pk6 n LYS 201 Ca 0.04 -2.86 0.05 0.00 -2.02 0.00 0.00 58.31 53.53 1pk6 n LYS 201 Cb 0.41 -1.44 0.14 0.00 -0.02 0.00 0.00 35.03 34.12 1pk6 n LYS 201 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pk6 n GLY 202 N 2.16 3.73 3.64 0.72 0.00 -0.92 -1.15 105.19 113.36 1pk6 n GLY 202 Ca 0.22 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.69 1pk6 n GLY 202 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1pk6 s HIS 203 N -2.13 2.56 -0.10 1.61 5.04 -0.97 -5.00 115.29 116.30 1pk6 s HIS 203 Ca 0.35 0.79 0.03 0.00 -1.54 0.00 0.00 55.06 54.70 1pk6 s HIS 203 Cb 0.36 -3.78 0.01 0.00 0.04 0.00 0.00 32.58 29.20 1pk6 s HIS 203 CO -0.09 -2.15 -0.20 0.42 -2.34 0.00 0.00 174.74 170.38 1pk6 s ILE 204 N 4.21 1.82 0.23 0.89 1.01 -1.26 -4.50 121.20 123.59 1pk6 s ILE 204 Ca 0.60 -0.86 -0.32 0.00 0.00 0.00 0.00 60.65 60.07 1pk6 s ILE 204 Cb -0.21 -1.60 -0.14 0.00 0.01 0.00 0.00 42.46 40.52 1pk6 s ILE 204 CO 0.22 0.51 1.39 0.00 0.00 0.00 0.00 174.94 177.06 1pk6 n TYR 205 N 3.79 2.08 -4.01 3.97 9.36 0.16 -4.98 117.16 127.51 1pk6 n TYR 205 Ca -0.20 0.45 -0.31 0.00 3.32 0.00 0.00 57.90 61.16 1pk6 n TYR 205 Cb 0.52 -2.45 -0.15 0.00 -0.63 0.00 0.00 39.34 36.63 1pk6 n TYR 205 CO 0.00 0.00 0.00 -1.14 0.22 0.00 0.00 176.86 175.94 1pk6 s GLN 206 N -0.31 2.02 0.00 2.98 2.00 -1.26 -4.96 119.66 120.13 1pk6 s GLN 206 Ca 0.69 -1.10 0.00 0.00 -2.00 0.00 0.00 55.36 52.95 1pk6 s GLN 206 Cb -0.67 -2.68 0.00 0.00 0.80 0.00 0.00 33.01 30.46 1pk6 s GLN 206 CO 0.49 -0.53 0.00 0.41 -0.50 0.00 0.00 175.29 175.16 1pk6 n GLY 207 N 4.57 -1.58 0.53 2.59 0.00 -1.26 -5.01 105.19 105.03 1pk6 n GLY 207 Ca -0.14 -1.08 0.08 0.00 0.00 0.00 0.00 46.02 44.88 1pk6 n GLY 207 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pk6 n SER 208 N 1.62 2.04 -0.12 1.61 3.41 -1.26 -4.58 113.62 116.34 1pk6 n SER 208 Ca 0.00 -1.52 -0.13 0.00 -0.26 0.00 0.00 58.87 56.97 1pk6 n SER 208 Cb 0.00 0.21 -0.03 0.00 -0.26 0.00 0.00 64.21 64.13 1pk6 n SER 208 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1pk6 h GLU 209 N 2.59 0.83 -3.70 4.33 5.08 -2.02 -3.47 114.58 118.22 1pk6 h GLU 209 Ca 0.00 -0.40 -0.08 0.00 -1.00 0.00 0.00 59.36 57.88 1pk6 h GLU 209 Cb 0.62 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.78 1pk6 h GLU 209 CO 0.00 1.04 -0.13 0.00 -1.00 0.00 0.00 179.01 178.92 1pk6 s ALA 210 N -4.50 -0.14 0.21 3.43 0.00 -1.26 -5.19 121.76 114.31 1pk6 s ALA 210 Ca -0.12 -0.95 0.11 0.00 0.00 0.00 0.00 51.96 51.00 1pk6 s ALA 210 Cb 0.10 1.07 -0.04 0.00 0.00 0.00 0.00 23.12 24.25 1pk6 s ALA 210 CO 0.85 -0.85 -0.22 -0.51 0.00 0.00 0.00 175.76 175.03 1pk6 s ASP 211 N -3.04 3.32 -0.04 0.00 1.01 -1.26 -4.79 116.67 111.87 1pk6 s ASP 211 Ca 0.23 -0.90 0.06 0.00 0.71 0.00 0.00 52.55 52.65 1pk6 s ASP 211 Cb -0.01 -0.24 -0.02 0.00 1.01 0.00 0.00 42.92 43.66 1pk6 s ASP 211 CO 0.10 0.07 -0.21 -0.44 0.21 0.00 0.00 175.17 174.90 1pk6 s SER 212 N -2.85 3.42 0.07 0.27 0.01 -1.26 -4.56 113.70 108.81 1pk6 s SER 212 Ca 0.22 -0.38 0.06 0.00 1.31 0.00 0.00 55.95 57.16 1pk6 s SER 212 Cb -0.07 -0.64 -0.03 0.00 0.21 0.00 0.00 66.02 65.49 1pk6 s SER 212 CO 0.10 0.31 -0.15 -0.69 0.41 0.00 0.00 173.24 173.22 1pk6 s VAL 213 N -0.54 1.20 -0.09 3.43 1.01 0.12 -2.69 120.40 122.84 1pk6 s VAL 213 Ca 0.07 -1.31 0.00 0.00 0.00 0.00 0.00 61.98 60.75 1pk6 s VAL 213 Cb -0.11 -1.13 0.02 0.00 0.00 0.00 0.00 36.38 35.16 1pk6 s VAL 213 CO 0.01 -0.18 -0.07 0.12 0.00 0.00 0.00 175.10 174.97 1pk6 s PHE 214 N -1.22 1.28 0.12 5.22 5.36 -0.19 -1.55 117.98 127.01 1pk6 s PHE 214 Ca -0.00 -0.55 0.05 0.00 -0.96 0.00 0.00 56.93 55.46 1pk6 s PHE 214 Cb -0.10 -1.07 -0.04 0.00 -0.34 0.00 0.00 43.02 41.48 1pk6 s PHE 214 CO 0.02 -0.39 -0.12 -1.12 -1.46 0.00 0.00 175.22 172.15 1pk6 s SER 215 N 1.39 1.72 -0.11 6.13 0.01 -0.29 -0.86 113.70 121.70 1pk6 s SER 215 Ca -0.02 -0.84 -0.30 0.00 1.31 0.00 0.00 55.95 56.10 1pk6 s SER 215 Cb -0.13 -0.03 0.11 0.00 0.21 0.00 0.00 66.02 66.18 1pk6 s SER 215 CO -0.04 -0.23 0.88 -0.83 0.41 0.00 0.00 173.24 173.44 1pk6 s GLY 216 N -2.57 -0.39 0.03 3.44 0.00 -0.61 -1.54 107.32 105.69 1pk6 s GLY 216 Ca 0.09 1.72 -0.27 0.00 0.00 0.00 0.00 44.72 46.25 1pk6 s GLY 216 CO 0.01 0.95 0.71 -0.11 0.00 0.00 0.00 173.10 174.66 1pk6 s PHE 217 N -1.30 -0.54 0.26 1.90 -0.12 -0.60 -0.71 117.98 116.87 1pk6 s PHE 217 Ca -0.04 0.62 -0.30 0.00 -0.05 0.00 0.00 56.93 57.16 1pk6 s PHE 217 Cb -0.00 0.49 -0.09 0.00 -0.63 0.00 0.00 43.02 42.79 1pk6 s PHE 217 CO 0.03 -0.67 1.09 -1.17 -0.05 0.00 0.00 175.22 174.46 1pk6 s LEU 218 N -2.01 4.55 -0.27 -1.99 2.96 -0.74 -0.79 118.68 120.39 1pk6 s LEU 218 Ca -0.03 2.23 -0.11 0.00 -0.22 0.00 0.00 54.13 56.01 1pk6 s LEU 218 Cb -0.01 -3.62 -0.14 0.00 0.50 0.00 0.00 46.19 42.93 1pk6 s LEU 218 CO -0.03 -0.14 -0.30 -0.38 -1.32 0.00 0.00 176.35 174.18 1pk6 n ILE 219 N 1.40 1.52 -3.64 6.68 5.41 0.17 -4.88 119.36 126.03 1pk6 n ILE 219 Ca -0.01 -0.42 -0.09 0.00 1.00 0.00 0.00 62.75 63.23 1pk6 n ILE 219 Cb 0.45 -1.78 -0.07 0.00 -0.71 0.00 0.00 39.64 37.53 1pk6 n ILE 219 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 1pk6 s PHE 220 N -2.51 -0.49 0.70 1.39 -0.12 -1.02 -5.01 117.98 110.92 1pk6 s PHE 220 Ca -0.37 1.18 -0.12 0.00 -0.05 0.00 0.00 56.93 57.56 1pk6 s PHE 220 Cb 0.13 0.36 0.02 0.00 -0.63 0.00 0.00 43.02 42.90 1pk6 s PHE 220 CO 0.52 -0.23 1.08 -1.25 -0.05 0.00 0.00 175.22 175.29 1pk6 s PRO 221 N 0.26 2.71 0.00 1.99 0.04 -1.26 -0.83 135.00 137.91 1pk6 s PRO 221 Ca 0.03 1.17 0.31 0.00 0.04 0.00 0.00 61.00 62.55 1pk6 s PRO 221 Cb -0.05 -1.95 1.70 0.00 0.04 0.00 0.00 34.50 34.24 1pk6 s PRO 221 CO -0.06 -1.29 2.11 -1.13 0.04 0.00 0.00 177.00 176.67