#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pk6 n PHE 90 N 0.00 1.16 -4.62 2.13 3.72 -1.26 -4.91 117.46 113.69 1pk6 n PHE 90 Ca 0.00 -0.53 -0.29 0.00 -0.05 0.00 0.00 57.45 56.58 1pk6 n PHE 90 Cb 0.00 -0.08 -0.08 0.00 -0.94 0.00 0.00 39.48 38.38 1pk6 n PHE 90 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1pk6 s GLN 91 N -1.28 2.02 -0.23 -1.08 -1.52 -1.26 -4.99 119.66 111.32 1pk6 s GLN 91 Ca 0.50 -2.25 -0.09 0.00 -1.95 0.00 0.00 55.36 51.57 1pk6 s GLN 91 Cb 0.28 -1.09 0.10 0.00 -0.22 0.00 0.00 33.01 32.08 1pk6 s GLN 91 CO 0.31 -0.38 0.52 0.45 -0.25 0.00 0.00 175.29 175.94 1pk6 s SER 92 N -3.72 -0.64 -0.10 5.90 0.15 -1.26 -4.89 113.70 109.14 1pk6 s SER 92 Ca 0.18 1.22 -0.21 0.00 0.70 0.00 0.00 55.95 57.84 1pk6 s SER 92 Cb 0.03 1.56 0.05 0.00 -1.71 0.00 0.00 66.02 65.95 1pk6 s SER 92 CO 0.10 -0.22 0.50 0.54 1.20 0.00 0.00 173.24 175.36 1pk6 s VAL 93 N 2.41 0.02 -0.02 4.45 0.11 -1.26 0.09 120.40 126.20 1pk6 s VAL 93 Ca -0.05 -0.15 -0.29 0.00 -2.93 0.00 0.00 61.98 58.56 1pk6 s VAL 93 Cb -0.11 -0.77 0.08 0.00 -1.53 0.00 0.00 36.38 34.05 1pk6 s VAL 93 CO -0.15 -0.08 0.71 0.72 -3.33 0.00 0.00 175.10 172.97 1pk6 s PHE 94 N -0.63 -0.59 -0.16 1.54 -0.12 0.30 -4.13 117.98 114.19 1pk6 s PHE 94 Ca -0.07 0.88 -0.04 0.00 -0.05 0.00 0.00 56.93 57.65 1pk6 s PHE 94 Cb -0.03 0.45 0.07 0.00 -0.63 0.00 0.00 43.02 42.88 1pk6 s PHE 94 CO 0.04 -0.62 0.19 0.99 -0.05 0.00 0.00 175.22 175.77 1pk6 s THR 95 N -1.73 -0.27 0.27 -4.49 2.01 -0.15 -1.36 115.64 109.91 1pk6 s THR 95 Ca -0.07 0.03 0.11 0.00 0.31 0.00 0.00 61.69 62.07 1pk6 s THR 95 Cb -0.00 -0.54 -0.05 0.00 0.01 0.00 0.00 72.50 71.92 1pk6 s THR 95 CO 0.04 -0.10 -0.19 0.68 -0.69 0.00 0.00 174.62 174.35 1pk6 s VAL 96 N 2.29 2.37 0.09 3.82 -7.23 0.27 -1.24 120.40 120.77 1pk6 s VAL 96 Ca 0.05 -2.37 0.01 0.00 -1.81 0.00 0.00 61.98 57.86 1pk6 s VAL 96 Cb -0.15 -2.26 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 1pk6 s VAL 96 CO -0.10 -0.42 -0.06 0.28 -0.31 0.00 0.00 175.10 174.50 1pk6 s THR 97 N -2.54 0.59 -0.41 5.32 -1.32 0.49 -0.82 115.64 116.96 1pk6 s THR 97 Ca 0.29 -1.91 -0.12 0.00 -1.21 0.00 0.00 61.69 58.73 1pk6 s THR 97 Cb -0.05 -1.66 0.04 0.00 -1.51 0.00 0.00 72.50 69.32 1pk6 s THR 97 CO 0.14 -0.89 0.27 -0.60 -2.21 0.00 0.00 174.62 171.33 1pk6 s ARG 98 N -3.85 2.84 -0.66 7.08 3.52 -0.90 -1.65 118.95 125.33 1pk6 s ARG 98 Ca 0.11 -1.18 -0.02 0.00 -0.13 0.00 0.00 55.73 54.51 1pk6 s ARG 98 Cb 0.06 -3.87 0.17 0.00 -1.56 0.00 0.00 34.95 29.75 1pk6 s ARG 98 CO -0.06 -0.81 0.48 -1.14 -0.81 0.00 0.00 175.30 172.96 1pk6 s GLN 99 N 1.58 2.64 -0.20 5.12 0.74 -1.26 -4.61 119.66 123.66 1pk6 s GLN 99 Ca 0.03 -2.65 -0.29 0.00 0.05 0.00 0.00 55.36 52.50 1pk6 s GLN 99 Cb -0.21 -3.74 0.14 0.00 1.10 0.00 0.00 33.01 30.30 1pk6 s GLN 99 CO 0.07 -1.19 1.06 -0.08 -0.55 0.00 0.00 175.29 174.60 1pk6 s THR 100 N -0.27 0.00 -0.33 -0.34 -1.32 -1.26 -4.96 115.64 107.15 1pk6 s THR 100 Ca 0.18 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.88 1pk6 s THR 100 Cb -0.19 -1.00 0.17 0.00 -1.51 0.00 0.00 72.50 69.97 1pk6 s THR 100 CO -0.04 0.00 1.35 -0.74 -2.21 0.00 0.00 174.62 172.97 1pk6 h HIS 101 N 2.83 0.00 -3.42 9.09 2.76 -1.95 -3.45 115.15 121.01 1pk6 h HIS 101 Ca -0.19 0.00 -0.55 0.00 -2.20 0.00 0.00 60.37 57.43 1pk6 h HIS 101 Cb 1.17 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 30.09 1pk6 h HIS 101 CO 0.28 0.06 0.16 -0.65 -1.30 0.00 0.00 177.93 176.49 1pk6 s GLN 102 N -3.24 4.49 0.95 5.26 -0.21 -1.26 -4.77 119.66 120.88 1pk6 s GLN 102 Ca 0.03 1.06 -0.14 0.00 0.02 0.00 0.00 55.36 56.34 1pk6 s GLN 102 Cb 0.07 -3.38 0.16 0.00 1.00 0.00 0.00 33.01 30.86 1pk6 s GLN 102 CO 0.73 0.23 1.18 -1.25 -2.12 0.00 0.00 175.29 174.06 1pk6 s PRO 103 N 0.15 0.83 0.94 2.91 0.04 -1.26 -4.96 135.00 133.65 1pk6 s PRO 103 Ca 0.39 0.05 -0.12 0.00 0.04 0.00 0.00 61.00 61.36 1pk6 s PRO 103 Cb -0.20 -1.83 0.15 0.00 0.04 0.00 0.00 34.50 32.67 1pk6 s PRO 103 CO 0.23 -2.36 1.09 -2.14 0.04 0.00 0.00 177.00 173.86 1pk6 s PRO 104 N -5.49 0.92 0.41 0.56 0.02 -1.26 -5.00 135.00 125.17 1pk6 s PRO 104 Ca 0.67 0.68 -0.22 0.00 0.02 0.00 0.00 61.00 62.14 1pk6 s PRO 104 Cb -0.11 -1.78 -0.10 0.00 0.02 0.00 0.00 34.50 32.53 1pk6 s PRO 104 CO 0.53 -2.44 0.97 0.00 -0.33 0.00 0.00 177.00 175.73 1pk6 s ALA 105 N -2.96 3.06 0.63 -1.55 0.00 -1.26 -4.90 121.76 114.78 1pk6 s ALA 105 Ca 0.64 0.48 -0.18 0.00 0.00 0.00 0.00 51.96 52.90 1pk6 s ALA 105 Cb -0.18 -3.18 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 1pk6 s ALA 105 CO 0.57 0.06 1.12 -2.30 0.00 0.00 0.00 175.76 175.21 1pk6 n PRO 106 N -0.36 0.98 -4.09 0.00 -0.02 -1.26 -3.06 135.00 127.19 1pk6 n PRO 106 Ca 0.06 0.39 -0.30 0.00 -2.02 0.00 0.00 63.50 61.63 1pk6 n PRO 106 Cb 0.53 -2.35 -0.04 0.00 -0.02 0.00 0.00 33.50 31.61 1pk6 n PRO 106 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1pk6 n ASN 107 N -1.36 -0.50 -4.13 2.55 3.02 -0.08 -4.95 115.26 109.81 1pk6 n ASN 107 Ca 0.15 -1.15 -0.12 0.00 -0.03 0.00 0.00 54.58 53.43 1pk6 n ASN 107 Cb 0.48 -2.36 -0.09 0.00 -0.61 0.00 0.00 39.78 37.19 1pk6 n ASN 107 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1pk6 s SER 108 N -4.24 0.21 0.20 6.41 1.04 -1.17 -4.96 113.70 111.19 1pk6 s SER 108 Ca 0.08 -1.37 -0.30 0.00 0.48 0.00 0.00 55.95 54.84 1pk6 s SER 108 Cb -0.04 0.41 -0.08 0.00 0.10 0.00 0.00 66.02 66.41 1pk6 s SER 108 CO 0.94 -0.88 1.12 -0.22 0.98 0.00 0.00 173.24 175.18 1pk6 s LEU 109 N -3.16 4.49 -0.36 2.42 0.20 -1.26 -1.22 118.68 119.79 1pk6 s LEU 109 Ca 0.38 2.16 -0.26 0.00 0.69 0.00 0.00 54.13 57.10 1pk6 s LEU 109 Cb 0.06 -3.61 0.01 0.00 -0.43 0.00 0.00 46.19 42.23 1pk6 s LEU 109 CO 0.13 -0.24 0.94 -0.63 -0.29 0.00 0.00 176.35 176.25 1pk6 s ILE 110 N -0.38 4.58 -0.11 6.68 1.01 0.11 -4.86 121.20 128.23 1pk6 s ILE 110 Ca 0.49 1.24 -0.21 0.00 0.00 0.00 0.00 60.65 62.17 1pk6 s ILE 110 Cb -0.31 -4.34 -0.04 0.00 0.01 0.00 0.00 42.46 37.79 1pk6 s ILE 110 CO 0.37 -0.53 0.61 -0.13 0.00 0.00 0.00 174.94 175.25 1pk6 s ARG 111 N 3.49 4.36 -0.39 2.79 0.52 -1.26 -4.61 118.95 123.85 1pk6 s ARG 111 Ca 0.39 0.67 -0.08 0.00 -0.52 0.00 0.00 55.73 56.19 1pk6 s ARG 111 Cb -0.12 -3.47 0.07 0.00 0.52 0.00 0.00 34.95 31.95 1pk6 s ARG 111 CO 0.18 0.04 0.19 -0.06 0.02 0.00 0.00 175.30 175.67 1pk6 s PHE 112 N 0.96 3.33 -0.34 -0.53 0.40 -1.26 -4.76 117.98 115.78 1pk6 s PHE 112 Ca 0.32 -1.57 0.22 0.00 -0.60 0.00 0.00 56.93 55.30 1pk6 s PHE 112 Cb -0.16 -2.72 0.19 0.00 0.51 0.00 0.00 43.02 40.84 1pk6 s PHE 112 CO 0.14 -0.81 1.39 -2.95 0.70 0.00 0.00 175.22 173.68 1pk6 h ASN 113 N 8.30 0.00 -3.58 1.36 -1.07 -1.80 -3.43 115.58 115.36 1pk6 h ASN 113 Ca -0.22 0.00 -0.68 0.00 0.07 0.00 0.00 56.30 55.47 1pk6 h ASN 113 Cb 1.08 0.00 -0.17 0.00 -2.07 0.00 0.00 38.32 37.16 1pk6 h ASN 113 CO 0.69 0.06 -0.69 0.00 0.07 0.00 0.00 177.43 177.56 1pk6 s ALA 114 N -3.23 3.05 -0.11 4.14 0.00 -0.66 -4.95 121.76 120.00 1pk6 s ALA 114 Ca 0.04 -0.98 -0.01 0.00 0.00 0.00 0.00 51.96 51.01 1pk6 s ALA 114 Cb 0.07 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 21.97 1pk6 s ALA 114 CO 0.72 0.61 -0.06 0.08 0.00 0.00 0.00 175.76 177.11 1pk6 s VAL 115 N -0.96 3.71 -0.24 0.00 1.01 -1.26 -0.38 120.40 122.28 1pk6 s VAL 115 Ca 0.16 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 1pk6 s VAL 115 Cb -0.11 -2.57 -0.14 0.00 0.00 0.00 0.00 36.38 33.56 1pk6 s VAL 115 CO 0.06 0.55 -0.24 0.18 0.00 0.00 0.00 175.10 175.65 1pk6 n LEU 116 N 2.92 2.61 -3.72 3.92 4.77 -0.38 -4.96 117.00 122.16 1pk6 n LEU 116 Ca -0.18 0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.69 1pk6 n LEU 116 Cb 0.53 -0.79 -0.10 0.00 -2.33 0.00 0.00 43.42 40.72 1pk6 n LEU 116 CO 0.30 0.78 0.09 0.28 -1.33 0.00 0.00 177.39 177.51 1pk6 s THR 117 N -2.46 -0.01 -0.37 -5.08 -1.32 -0.94 -4.98 115.64 100.49 1pk6 s THR 117 Ca -0.33 0.03 0.05 0.00 -1.21 0.00 0.00 61.69 60.23 1pk6 s THR 117 Cb 0.10 -0.60 0.31 0.00 -1.51 0.00 0.00 72.50 70.80 1pk6 s THR 117 CO 0.51 0.01 1.30 -3.20 -2.21 0.00 0.00 174.62 171.04 1pk6 n ASN 118 N 3.31 -1.55 -0.11 8.08 5.15 -1.26 -0.98 115.26 127.91 1pk6 n ASN 118 Ca -0.16 -2.38 0.08 0.00 -0.60 0.00 0.00 54.58 51.51 1pk6 n ASN 118 Cb 0.56 1.36 0.42 0.00 -0.53 0.00 0.00 39.78 41.60 1pk6 n ASN 118 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1pk6 h PRO 119 N 2.34 0.58 -0.00 1.20 0.13 -1.99 -2.61 132.00 131.64 1pk6 h PRO 119 Ca -0.27 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1pk6 h PRO 119 Cb 1.19 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1pk6 h PRO 119 CO 0.02 0.38 -0.49 1.04 -0.23 0.00 0.00 178.00 178.72 1pk6 n GLN 120 N -4.48 0.14 -1.62 0.86 3.00 -1.26 -4.93 117.38 109.09 1pk6 n GLN 120 Ca 0.09 -0.08 -0.08 0.00 -0.01 0.00 0.00 57.00 56.92 1pk6 n GLN 120 Cb 0.24 -1.50 -0.02 0.00 0.00 0.00 0.00 30.24 28.96 1pk6 n GLN 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1pk6 n GLY 121 N 1.48 0.57 0.25 1.08 0.00 -0.99 -4.93 105.19 102.65 1pk6 n GLY 121 Ca 0.06 -0.65 -0.02 0.00 0.00 0.00 0.00 46.02 45.42 1pk6 n GLY 121 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pk6 h ASP 122 N 0.00 0.46 -3.36 1.61 3.32 -1.87 -3.40 116.42 113.19 1pk6 h ASP 122 Ca -0.17 -0.13 -0.60 0.00 0.02 0.00 0.00 57.03 56.16 1pk6 h ASP 122 Cb 0.77 -0.12 -0.11 0.00 0.22 0.00 0.00 39.33 40.09 1pk6 h ASP 122 CO 0.22 0.64 -0.35 -0.47 -1.72 0.00 0.00 179.24 177.56 1pk6 s TYR 123 N -4.67 3.42 -0.36 4.55 5.04 -1.26 -1.04 117.35 123.03 1pk6 s TYR 123 Ca -0.07 0.51 -0.10 0.00 -2.44 0.00 0.00 57.07 54.98 1pk6 s TYR 123 Cb 0.14 -2.34 0.02 0.00 0.35 0.00 0.00 41.96 40.14 1pk6 s TYR 123 CO 0.78 0.18 0.18 0.34 -1.34 0.00 0.00 175.55 175.68 1pk6 s ASP 124 N 0.63 5.61 0.21 4.32 -1.08 0.56 -4.96 116.67 121.97 1pk6 s ASP 124 Ca 0.15 -0.94 0.22 0.00 -0.52 0.00 0.00 52.55 51.45 1pk6 s ASP 124 Cb -0.13 -1.99 0.92 0.00 -1.46 0.00 0.00 42.92 40.26 1pk6 s ASP 124 CO 0.04 -0.34 1.68 0.35 0.52 0.00 0.00 175.17 177.41 1pk6 n THR 125 N 4.96 0.84 0.11 1.71 -2.24 -1.26 0.01 114.28 118.41 1pk6 n THR 125 Ca -0.12 0.22 -0.01 0.00 -2.27 0.00 0.00 64.05 61.86 1pk6 n THR 125 Cb 0.46 -1.12 -0.01 0.00 -2.10 0.00 0.00 70.33 67.57 1pk6 n THR 125 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1pk6 h SER 126 N 0.00 0.00 0.00 3.42 0.02 -1.92 -3.35 113.55 111.72 1pk6 h SER 126 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1pk6 h SER 126 Cb 0.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.90 1pk6 h SER 126 CO 0.00 0.69 -1.04 0.35 -1.14 0.00 0.00 176.83 175.69 1pk6 n THR 127 N -3.31 0.00 -1.30 -2.27 -2.24 -1.11 -5.01 114.28 99.05 1pk6 n THR 127 Ca 0.01 -0.19 -0.03 0.00 -2.27 0.00 0.00 64.05 61.57 1pk6 n THR 127 Cb 0.80 0.51 -0.01 0.00 -2.10 0.00 0.00 70.33 69.53 1pk6 n THR 127 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pk6 n GLY 128 N 1.93 0.54 3.30 3.38 0.00 0.10 -4.95 105.19 109.49 1pk6 n GLY 128 Ca -0.01 -0.90 -0.28 0.00 0.00 0.00 0.00 46.02 44.84 1pk6 n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pk6 s LYS 129 N -2.67 1.56 -0.06 1.61 1.02 -1.07 -4.67 119.74 115.47 1pk6 s LYS 129 Ca 0.00 -1.05 -0.12 0.00 0.02 0.00 0.00 55.97 54.82 1pk6 s LYS 129 Cb 0.00 -1.73 -0.05 0.00 -0.52 0.00 0.00 37.83 35.53 1pk6 s LYS 129 CO 0.00 0.44 0.31 0.12 -0.92 0.00 0.00 175.35 175.30 1pk6 s PHE 130 N -0.83 3.66 -0.08 3.18 5.36 -0.20 -0.32 117.98 128.74 1pk6 s PHE 130 Ca 0.10 0.80 0.01 0.00 -0.96 0.00 0.00 56.93 56.88 1pk6 s PHE 130 Cb -0.09 -2.17 0.02 0.00 -0.34 0.00 0.00 43.02 40.43 1pk6 s PHE 130 CO 0.02 0.64 -0.10 0.99 -1.46 0.00 0.00 175.22 175.31 1pk6 s THR 131 N -0.93 1.05 0.10 0.12 2.01 -0.20 -1.23 115.64 116.56 1pk6 s THR 131 Ca 0.20 -0.39 -0.31 0.00 0.31 0.00 0.00 61.69 61.50 1pk6 s THR 131 Cb -0.15 -1.00 -0.08 0.00 0.01 0.00 0.00 72.50 71.28 1pk6 s THR 131 CO 0.09 0.35 1.51 0.00 -0.69 0.00 0.00 174.62 175.88 1pk6 n LYS 133 N 4.61 0.36 -3.58 0.00 5.02 -1.26 -0.78 118.16 122.53 1pk6 n LYS 133 Ca 0.14 0.16 -0.40 0.00 -2.02 0.00 0.00 58.31 56.18 1pk6 n LYS 133 Cb 0.41 -1.11 -0.11 0.00 -0.02 0.00 0.00 35.03 34.20 1pk6 n LYS 133 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1pk6 s VAL 134 N -2.32 4.90 0.73 -0.18 1.01 -1.26 -4.78 120.40 118.50 1pk6 s VAL 134 Ca -0.24 -0.49 -0.15 0.00 0.00 0.00 0.00 61.98 61.11 1pk6 s VAL 134 Cb 0.09 -3.59 0.04 0.00 0.00 0.00 0.00 36.38 32.92 1pk6 s VAL 134 CO 0.30 -0.08 1.18 -2.16 0.00 0.00 0.00 175.10 174.35 1pk6 s PRO 135 N 1.64 2.20 0.00 2.72 0.04 -1.26 -4.90 135.00 135.44 1pk6 s PRO 135 Ca 0.05 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1pk6 s PRO 135 Cb -0.18 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1pk6 s PRO 135 CO 0.08 -1.77 0.00 0.41 0.04 0.00 0.00 177.00 175.77 1pk6 n GLY 136 N 0.18 0.76 3.65 0.56 0.00 -0.00 -3.04 105.19 107.31 1pk6 n GLY 136 Ca 0.13 -1.87 -0.41 0.00 0.00 0.00 0.00 46.02 43.87 1pk6 n GLY 136 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pk6 s LEU 137 N 0.00 4.12 0.22 0.99 2.96 -0.72 -0.12 118.68 126.12 1pk6 s LEU 137 Ca 0.00 0.98 0.09 0.00 -0.22 0.00 0.00 54.13 54.98 1pk6 s LEU 137 Cb 0.00 -3.09 -0.04 0.00 0.50 0.00 0.00 46.19 43.56 1pk6 s LEU 137 CO 0.00 -0.41 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.24 1pk6 s TYR 138 N 2.40 2.63 -0.09 5.38 1.51 0.93 -0.28 117.35 129.83 1pk6 s TYR 138 Ca 0.33 -0.23 0.04 0.00 -1.01 0.00 0.00 57.07 56.20 1pk6 s TYR 138 Cb -0.16 -1.23 -0.01 0.00 -0.11 0.00 0.00 41.96 40.46 1pk6 s TYR 138 CO 0.09 0.57 -0.23 -0.47 -1.11 0.00 0.00 175.55 174.41 1pk6 s TYR 139 N -2.02 2.55 -0.04 2.71 5.04 -0.60 -0.81 117.35 124.18 1pk6 s TYR 139 Ca 0.28 -0.87 0.05 0.00 -2.44 0.00 0.00 57.07 54.09 1pk6 s TYR 139 Cb -0.08 -1.69 -0.01 0.00 0.35 0.00 0.00 41.96 40.54 1pk6 s TYR 139 CO 0.17 -0.31 -0.21 -0.06 -1.34 0.00 0.00 175.55 173.80 1pk6 s PHE 140 N 0.15 2.01 -0.04 4.97 0.40 -0.56 -1.48 117.98 123.43 1pk6 s PHE 140 Ca -0.12 -0.55 -0.16 0.00 -0.60 0.00 0.00 56.93 55.49 1pk6 s PHE 140 Cb -0.16 -1.33 0.03 0.00 0.51 0.00 0.00 43.02 42.07 1pk6 s PHE 140 CO 0.07 -0.16 0.36 0.54 0.70 0.00 0.00 175.22 176.72 1pk6 s VAL 141 N -0.14 0.04 0.05 -0.44 0.11 -0.66 -0.81 120.40 118.55 1pk6 s VAL 141 Ca -0.02 -0.36 -0.06 0.00 -2.93 0.00 0.00 61.98 58.62 1pk6 s VAL 141 Cb -0.12 -0.64 -0.01 0.00 -1.53 0.00 0.00 36.38 34.08 1pk6 s VAL 141 CO 0.02 -0.20 0.11 -0.72 -3.33 0.00 0.00 175.10 170.98 1pk6 s TYR 142 N -1.09 0.21 -0.23 1.54 -0.85 -0.08 -0.43 117.35 116.42 1pk6 s TYR 142 Ca -0.11 -0.55 -0.04 0.00 -0.52 0.00 0.00 57.07 55.85 1pk6 s TYR 142 Cb -0.04 -0.14 0.08 0.00 0.38 0.00 0.00 41.96 42.24 1pk6 s TYR 142 CO 0.04 -0.40 0.10 -1.01 -1.52 0.00 0.00 175.55 172.76 1pk6 s HIS 143 N -2.94 0.36 -0.20 -3.49 3.76 -0.61 -2.25 115.29 109.93 1pk6 s HIS 143 Ca -0.02 -0.66 -0.04 0.00 -0.15 0.00 0.00 55.06 54.19 1pk6 s HIS 143 Cb 0.01 -0.85 -0.02 0.00 1.11 0.00 0.00 32.58 32.83 1pk6 s HIS 143 CO -0.06 -0.68 -0.03 0.00 -0.85 0.00 0.00 174.74 173.12 1pk6 s ALA 144 N 2.08 2.89 0.12 -1.40 0.00 0.12 -1.15 121.76 124.42 1pk6 s ALA 144 Ca 0.05 -1.05 -0.26 0.00 0.00 0.00 0.00 51.96 50.70 1pk6 s ALA 144 Cb -0.16 -1.67 -0.07 0.00 0.00 0.00 0.00 23.12 21.22 1pk6 s ALA 144 CO -0.22 -0.21 0.80 -1.12 0.00 0.00 0.00 175.76 175.01 1pk6 s SER 145 N 1.11 7.36 0.02 0.00 0.01 -1.15 0.02 113.70 121.07 1pk6 s SER 145 Ca 0.02 1.61 -0.16 0.00 1.31 0.00 0.00 55.95 58.74 1pk6 s SER 145 Cb -0.15 -2.51 0.03 0.00 0.21 0.00 0.00 66.02 63.60 1pk6 s SER 145 CO 0.00 0.11 0.34 -1.38 0.41 0.00 0.00 173.24 172.72 1pk6 s HIS 146 N -0.64 -0.18 -0.05 2.43 -3.43 -0.67 -3.87 115.29 108.88 1pk6 s HIS 146 Ca 0.38 0.15 0.07 0.00 -0.80 0.00 0.00 55.06 54.86 1pk6 s HIS 146 Cb -0.22 0.13 0.11 0.00 -1.43 0.00 0.00 32.58 31.17 1pk6 s HIS 146 CO 0.26 -0.49 1.01 0.25 -2.00 0.00 0.00 174.74 173.77 1pk6 n THR 147 N 0.76 1.18 -3.92 -5.38 -2.24 -1.15 -1.71 114.28 101.82 1pk6 n THR 147 Ca -0.19 -1.32 -0.10 0.00 -2.27 0.00 0.00 64.05 60.16 1pk6 n THR 147 Cb 0.58 0.27 -0.01 0.00 -2.10 0.00 0.00 70.33 69.07 1pk6 n THR 147 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pk6 s ALA 148 N -1.55 -0.34 0.24 6.98 0.00 -1.26 -2.40 121.76 123.44 1pk6 s ALA 148 Ca 0.12 -0.91 -0.31 0.00 0.00 0.00 0.00 51.96 50.86 1pk6 s ALA 148 Cb 0.10 0.88 -0.13 0.00 0.00 0.00 0.00 23.12 23.97 1pk6 s ALA 148 CO 0.01 -0.92 1.38 0.09 0.00 0.00 0.00 175.76 176.32 1pk6 n ASN 149 N -1.13 2.64 -3.72 0.00 4.13 -1.25 -4.47 115.26 111.47 1pk6 n ASN 149 Ca -0.04 1.15 -0.13 0.00 1.68 0.00 0.00 54.58 57.23 1pk6 n ASN 149 Cb 0.60 -1.41 -0.14 0.00 -1.54 0.00 0.00 39.78 37.30 1pk6 n ASN 149 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1pk6 s LEU 150 N 0.09 0.39 -0.11 3.41 2.96 -0.35 -2.32 118.68 122.76 1pk6 s LEU 150 Ca 0.68 0.47 0.03 0.00 -0.22 0.00 0.00 54.13 55.08 1pk6 s LEU 150 Cb -0.66 0.62 0.01 0.00 0.50 0.00 0.00 46.19 46.66 1pk6 s LEU 150 CO 0.50 -0.17 -0.20 0.00 -1.32 0.00 0.00 176.35 175.16 1pk6 s VAL 152 N 0.64 3.47 -0.09 0.00 1.01 -0.03 -3.72 120.40 121.68 1pk6 s VAL 152 Ca -0.13 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.36 1pk6 s VAL 152 Cb -0.16 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 1pk6 s VAL 152 CO 0.03 0.55 -0.22 -0.76 0.00 0.00 0.00 175.10 174.70 1pk6 s LEU 153 N -0.13 2.20 -0.22 3.92 1.02 0.12 -1.23 118.68 124.36 1pk6 s LEU 153 Ca 0.01 -0.49 -0.10 0.00 0.02 0.00 0.00 54.13 53.57 1pk6 s LEU 153 Cb -0.13 -1.43 -0.05 0.00 0.02 0.00 0.00 46.19 44.60 1pk6 s LEU 153 CO 0.03 0.20 0.13 -0.22 0.02 0.00 0.00 176.35 176.51 1pk6 s LEU 154 N 0.09 4.04 0.02 1.79 0.20 0.14 -0.20 118.68 124.75 1pk6 s LEU 154 Ca -0.10 0.11 0.04 0.00 0.69 0.00 0.00 54.13 54.86 1pk6 s LEU 154 Cb -0.16 -2.07 -0.03 0.00 -0.43 0.00 0.00 46.19 43.50 1pk6 s LEU 154 CO 0.06 0.10 -0.08 -0.31 -0.29 0.00 0.00 176.35 175.83 1pk6 s TYR 155 N 0.85 2.85 -0.16 5.38 1.51 0.48 0.23 117.35 128.50 1pk6 s TYR 155 Ca 0.07 -0.07 -0.01 0.00 -1.01 0.00 0.00 57.07 56.05 1pk6 s TYR 155 Cb -0.13 -1.58 0.04 0.00 -0.11 0.00 0.00 41.96 40.18 1pk6 s TYR 155 CO 0.03 0.37 -0.04 0.50 -1.11 0.00 0.00 175.55 175.30 1pk6 s ARG 156 N -1.51 1.28 -1.45 -0.62 3.52 0.33 -1.78 118.95 118.72 1pk6 s ARG 156 Ca 0.17 -0.44 -0.03 0.00 -0.13 0.00 0.00 55.73 55.30 1pk6 s ARG 156 Cb -0.11 -1.91 0.00 0.00 -1.56 0.00 0.00 34.95 31.37 1pk6 s ARG 156 CO 0.08 -0.44 0.25 0.43 -0.81 0.00 0.00 175.30 174.82 1pk6 n SER 157 N 4.92 -0.16 0.00 -2.12 7.64 0.74 -0.93 113.62 123.71 1pk6 n SER 157 Ca -0.11 -1.16 0.00 0.00 1.01 0.00 0.00 58.87 58.61 1pk6 n SER 157 Cb 0.48 -2.29 0.00 0.00 -1.01 0.00 0.00 64.21 61.39 1pk6 n SER 157 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pk6 n GLY 158 N -2.26 1.86 3.50 0.23 0.00 -1.26 -5.02 105.19 102.24 1pk6 n GLY 158 Ca -0.30 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 1pk6 n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pk6 s VAL 159 N -2.96 4.05 -0.16 1.61 1.01 -0.11 -5.07 120.40 118.78 1pk6 s VAL 159 Ca 0.00 -0.29 -0.29 0.00 0.00 0.00 0.00 61.98 61.40 1pk6 s VAL 159 Cb 0.00 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 1pk6 s VAL 159 CO 0.00 0.47 1.50 -0.75 0.00 0.00 0.00 175.10 176.32 1pk6 s LYS 160 N 0.58 4.05 -0.20 2.72 2.20 -1.26 -0.51 119.74 127.32 1pk6 s LYS 160 Ca -0.01 1.80 -0.17 0.00 -0.36 0.00 0.00 55.97 57.22 1pk6 s LYS 160 Cb -0.14 -3.93 -0.20 0.00 -1.51 0.00 0.00 37.83 32.05 1pk6 s LYS 160 CO 0.02 -0.97 0.16 0.28 -0.36 0.00 0.00 175.35 174.48 1pk6 n VAL 161 N 5.81 1.58 -3.81 4.02 0.31 0.14 -4.96 118.33 121.41 1pk6 n VAL 161 Ca 0.17 -0.21 -0.11 0.00 -0.01 0.00 0.00 64.34 64.18 1pk6 n VAL 161 Cb 0.44 -1.94 -0.08 0.00 -0.91 0.00 0.00 33.84 31.35 1pk6 n VAL 161 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1pk6 s VAL 162 N -2.42 0.10 -0.03 2.52 -7.23 -1.20 -5.00 120.40 107.15 1pk6 s VAL 162 Ca -0.29 -0.84 0.00 0.00 -1.81 0.00 0.00 61.98 59.04 1pk6 s VAL 162 Cb 0.07 -0.95 0.02 0.00 0.56 0.00 0.00 36.38 36.08 1pk6 s VAL 162 CO 0.62 -0.46 0.00 -0.89 -0.31 0.00 0.00 175.10 174.05 1pk6 s THR 163 N -2.67 0.15 -0.04 5.32 2.01 -1.26 -0.69 115.64 118.47 1pk6 s THR 163 Ca -0.04 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.06 1pk6 s THR 163 Cb -0.01 -0.24 0.01 0.00 0.01 0.00 0.00 72.50 72.28 1pk6 s THR 163 CO -0.04 0.13 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.56 1pk6 s PHE 164 N 0.90 1.07 -0.00 4.92 0.40 -0.36 -4.98 117.98 119.92 1pk6 s PHE 164 Ca -0.09 -0.31 0.07 0.00 -0.60 0.00 0.00 56.93 56.00 1pk6 s PHE 164 Cb -0.12 -0.79 -0.02 0.00 0.51 0.00 0.00 43.02 42.60 1pk6 s PHE 164 CO -0.02 -0.17 -0.22 0.00 0.70 0.00 0.00 175.22 175.52 1pk6 s GLY 166 N -0.69 0.65 -0.10 0.00 0.00 0.37 -4.99 107.32 102.57 1pk6 s GLY 166 Ca 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 44.72 44.50 1pk6 s GLY 166 CO -0.00 0.19 -0.04 0.30 0.00 0.00 0.00 173.10 173.55 1pk6 s HIS 167 N 0.68 3.02 -0.06 1.90 3.76 -1.26 -1.21 115.29 122.12 1pk6 s HIS 167 Ca -0.12 -0.04 -0.26 0.00 -0.15 0.00 0.00 55.06 54.49 1pk6 s HIS 167 Cb -0.15 -1.81 0.06 0.00 1.11 0.00 0.00 32.58 31.80 1pk6 s HIS 167 CO 0.02 0.25 0.58 -0.08 -0.85 0.00 0.00 174.74 174.66 1pk6 s THR 168 N -0.46 0.01 -0.29 1.30 -1.32 -1.26 -4.96 115.64 108.66 1pk6 s THR 168 Ca 0.07 -0.11 0.01 0.00 -1.21 0.00 0.00 61.69 60.45 1pk6 s THR 168 Cb -0.12 -0.89 0.06 0.00 -1.51 0.00 0.00 72.50 70.04 1pk6 s THR 168 CO 0.02 -0.06 -0.03 -0.55 -2.21 0.00 0.00 174.62 171.79 1pk6 s SER 169 N -1.04 4.70 0.00 8.08 0.15 -1.26 -3.77 113.70 120.56 1pk6 s SER 169 Ca -0.10 -1.47 0.00 0.00 0.70 0.00 0.00 55.95 55.07 1pk6 s SER 169 Cb -0.02 -1.64 0.00 0.00 -1.71 0.00 0.00 66.02 62.65 1pk6 s SER 169 CO 0.08 -0.26 0.00 0.29 1.20 0.00 0.00 173.24 174.55 1pk6 n LYS 170 N 4.49 0.00 -2.54 5.44 5.02 -1.01 -4.91 118.16 124.66 1pk6 n LYS 170 Ca -0.11 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 55.92 1pk6 n LYS 170 Cb 0.42 -0.93 0.03 0.00 -0.02 0.00 0.00 35.03 34.53 1pk6 n LYS 170 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1pk6 s THR 171 N 0.00 3.79 -0.12 -0.18 -4.23 -1.26 -4.91 115.64 108.73 1pk6 s THR 171 Ca 0.00 -0.10 -0.16 0.00 -1.18 0.00 0.00 61.69 60.26 1pk6 s THR 171 Cb 0.00 -3.48 -0.05 0.00 1.34 0.00 0.00 72.50 70.32 1pk6 s THR 171 CO 0.00 -0.45 0.38 0.21 -0.54 0.00 0.00 174.62 174.21 1pk6 s ASN 172 N -4.28 6.58 0.25 3.99 2.47 -1.26 -4.27 114.94 118.43 1pk6 s ASN 172 Ca 0.52 0.69 0.01 0.00 0.42 0.00 0.00 52.86 54.50 1pk6 s ASN 172 Cb -0.10 -2.23 -0.04 0.00 -1.45 0.00 0.00 41.25 37.42 1pk6 s ASN 172 CO 0.43 0.10 0.13 -1.10 -3.72 0.00 0.00 177.10 172.94 1pk6 s GLN 173 N 0.30 1.41 -0.15 0.43 -0.21 -0.70 -4.99 119.66 115.75 1pk6 s GLN 173 Ca 0.21 -1.77 0.02 0.00 0.02 0.00 0.00 55.36 53.84 1pk6 s GLN 173 Cb -0.14 -0.04 0.02 0.00 1.00 0.00 0.00 33.01 33.84 1pk6 s GLN 173 CO 0.08 -0.37 -0.19 0.08 -2.12 0.00 0.00 175.29 172.76 1pk6 s VAL 174 N -3.83 1.91 -0.18 1.09 1.01 -1.26 -1.67 120.40 117.47 1pk6 s VAL 174 Ca 0.38 -0.87 -0.18 0.00 0.00 0.00 0.00 61.98 61.30 1pk6 s VAL 174 Cb 0.07 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 1pk6 s VAL 174 CO 0.15 0.52 0.50 0.21 0.00 0.00 0.00 175.10 176.48 1pk6 s ASN 175 N 1.07 6.59 0.17 3.32 3.84 0.10 -4.88 114.94 125.15 1pk6 s ASN 175 Ca -0.02 0.70 0.09 0.00 0.21 0.00 0.00 52.86 53.85 1pk6 s ASN 175 Cb -0.14 -2.29 -0.04 0.00 -0.55 0.00 0.00 41.25 38.23 1pk6 s ASN 175 CO -0.06 -0.13 -0.20 -0.94 -2.79 0.00 0.00 177.10 172.97 1pk6 s SER 176 N 1.02 2.92 -0.01 -4.21 1.04 -1.26 0.10 113.70 113.30 1pk6 s SER 176 Ca 0.24 -0.86 -0.28 0.00 0.48 0.00 0.00 55.95 55.53 1pk6 s SER 176 Cb -0.15 -0.19 0.10 0.00 0.10 0.00 0.00 66.02 65.88 1pk6 s SER 176 CO 0.10 0.02 0.87 -0.83 0.98 0.00 0.00 173.24 174.38 1pk6 s GLY 177 N -2.64 -0.46 -0.13 7.32 0.00 -0.95 -4.91 107.32 105.55 1pk6 s GLY 177 Ca 0.17 1.06 -0.33 0.00 0.00 0.00 0.00 44.72 45.62 1pk6 s GLY 177 CO 0.08 0.39 1.17 -0.32 0.00 0.00 0.00 173.10 174.42 1pk6 s GLY 178 N -2.36 -0.33 -0.14 0.20 0.00 -1.26 -0.90 107.32 102.54 1pk6 s GLY 178 Ca 0.04 1.34 -0.30 0.00 0.00 0.00 0.00 44.72 45.80 1pk6 s GLY 178 CO -0.08 0.43 0.87 0.54 0.00 0.00 0.00 173.10 174.85 1pk6 s VAL 179 N -2.53 0.00 -0.17 1.40 0.11 0.01 -4.99 120.40 114.23 1pk6 s VAL 179 Ca 0.10 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 59.01 1pk6 s VAL 179 Cb -0.00 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 1pk6 s VAL 179 CO -0.05 0.00 0.27 -0.76 -3.33 0.00 0.00 175.10 171.23 1pk6 s LEU 180 N -0.93 4.23 -0.03 2.54 1.43 -1.26 -1.50 118.68 123.16 1pk6 s LEU 180 Ca -0.05 0.45 0.01 0.00 -1.03 0.00 0.00 54.13 53.52 1pk6 s LEU 180 Cb -0.01 -2.33 0.02 0.00 0.03 0.00 0.00 46.19 43.90 1pk6 s LEU 180 CO 0.04 0.10 -0.03 -0.76 0.23 0.00 0.00 176.35 175.93 1pk6 s LEU 181 N 0.51 1.49 -0.54 1.79 1.43 0.01 -4.97 118.68 118.39 1pk6 s LEU 181 Ca 0.15 -0.08 -0.19 0.00 -1.03 0.00 0.00 54.13 52.97 1pk6 s LEU 181 Cb -0.13 -0.32 0.07 0.00 0.03 0.00 0.00 46.19 45.85 1pk6 s LEU 181 CO 0.03 -0.03 0.68 -0.60 0.23 0.00 0.00 176.35 176.66 1pk6 s ARG 182 N 0.63 3.11 0.17 1.70 3.52 -1.26 -0.05 118.95 126.76 1pk6 s ARG 182 Ca -0.07 -0.99 0.03 0.00 -0.13 0.00 0.00 55.73 54.56 1pk6 s ARG 182 Cb -0.11 -4.16 -0.03 0.00 -1.56 0.00 0.00 34.95 29.09 1pk6 s ARG 182 CO -0.00 -1.37 0.29 -0.51 -0.81 0.00 0.00 175.30 172.90 1pk6 s LEU 183 N 2.78 4.31 0.22 -0.88 1.43 0.83 -4.92 118.68 122.45 1pk6 s LEU 183 Ca 0.15 0.14 0.08 0.00 -1.03 0.00 0.00 54.13 53.46 1pk6 s LEU 183 Cb -0.20 -2.87 -0.04 0.00 0.03 0.00 0.00 46.19 43.10 1pk6 s LEU 183 CO 0.10 0.03 0.05 -1.10 0.23 0.00 0.00 176.35 175.67 1pk6 s GLN 184 N -3.37 2.52 0.17 1.70 -0.21 -1.26 -0.82 119.66 118.40 1pk6 s GLN 184 Ca 0.34 -1.18 -0.33 0.00 0.02 0.00 0.00 55.36 54.21 1pk6 s GLN 184 Cb -0.11 -2.36 -0.15 0.00 1.00 0.00 0.00 33.01 31.40 1pk6 s GLN 184 CO 0.28 0.42 1.39 0.28 -2.12 0.00 0.00 175.29 175.54 1pk6 n VAL 185 N -0.62 0.50 0.00 1.09 0.31 -1.26 -1.99 118.33 116.36 1pk6 n VAL 185 Ca -0.08 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 1pk6 n VAL 185 Cb 0.57 -1.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.26 1pk6 n VAL 185 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pk6 n GLY 186 N 2.54 2.17 3.75 2.92 0.00 0.04 -4.99 105.19 111.62 1pk6 n GLY 186 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1pk6 n GLY 186 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pk6 s GLU 187 N -0.57 4.25 -0.09 1.61 2.02 -0.84 -4.54 118.70 120.54 1pk6 s GLU 187 Ca 0.00 2.35 -0.05 0.00 0.02 0.00 0.00 54.97 57.28 1pk6 s GLU 187 Cb 0.00 -3.08 -0.04 0.00 0.10 0.00 0.00 34.13 31.12 1pk6 s GLU 187 CO 0.00 -0.41 0.12 -1.21 0.02 0.00 0.00 175.26 173.78 1pk6 s GLU 188 N -0.89 3.33 -0.04 1.61 2.02 -1.26 -0.46 118.70 123.01 1pk6 s GLU 188 Ca 0.57 -0.23 0.02 0.00 0.02 0.00 0.00 54.97 55.35 1pk6 s GLU 188 Cb -0.43 -3.09 0.01 0.00 0.10 0.00 0.00 34.13 30.73 1pk6 s GLU 188 CO 0.48 0.75 -0.09 0.08 0.02 0.00 0.00 175.26 176.50 1pk6 s VAL 189 N -1.05 0.80 0.24 2.63 1.01 -0.37 -0.18 120.40 123.47 1pk6 s VAL 189 Ca 0.17 -0.33 -0.16 0.00 0.00 0.00 0.00 61.98 61.65 1pk6 s VAL 189 Cb -0.12 -0.73 0.01 0.00 0.00 0.00 0.00 36.38 35.54 1pk6 s VAL 189 CO 0.06 0.26 0.55 -1.66 0.00 0.00 0.00 175.10 174.31 1pk6 s TRP 190 N 0.42 0.08 0.09 5.22 -2.14 -0.73 -1.04 118.94 120.83 1pk6 s TRP 190 Ca -0.07 -0.46 0.06 0.00 2.66 0.00 0.00 56.10 58.29 1pk6 s TRP 190 Cb -0.11 0.37 -0.04 0.00 -3.10 0.00 0.00 33.47 30.59 1pk6 s TRP 190 CO 0.01 -1.02 -0.04 -0.51 -2.66 0.00 0.00 176.95 172.72 1pk6 s LEU 191 N -2.95 3.28 0.14 -4.66 1.43 -1.26 -0.39 118.68 114.28 1pk6 s LEU 191 Ca 0.15 -0.26 -0.04 0.00 -1.03 0.00 0.00 54.13 52.95 1pk6 s LEU 191 Cb -0.02 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 1pk6 s LEU 191 CO 0.05 0.19 0.15 0.00 0.23 0.00 0.00 176.35 176.96 1pk6 s ALA 192 N -1.25 0.49 0.29 4.21 0.00 0.72 0.08 121.76 126.31 1pk6 s ALA 192 Ca 0.23 -1.22 0.11 0.00 0.00 0.00 0.00 51.96 51.08 1pk6 s ALA 192 Cb -0.11 0.85 -0.05 0.00 0.00 0.00 0.00 23.12 23.81 1pk6 s ALA 192 CO 0.16 -0.55 -0.12 0.14 0.00 0.00 0.00 175.76 175.39 1pk6 s VAL 193 N -4.01 2.67 0.00 0.00 -7.23 -0.35 0.15 120.40 111.63 1pk6 s VAL 193 Ca 0.21 -2.22 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 1pk6 s VAL 193 Cb 0.06 -2.53 0.00 0.00 0.56 0.00 0.00 36.38 34.47 1pk6 s VAL 193 CO 0.01 -0.34 0.00 -0.46 -0.31 0.00 0.00 175.10 173.99 1pk6 n ASN 194 N -0.74 0.00 0.23 4.85 0.23 -1.24 -3.02 115.26 115.56 1pk6 n ASN 194 Ca -0.05 0.00 0.15 0.00 -0.53 0.00 0.00 54.58 54.15 1pk6 n ASN 194 Cb 0.61 0.00 0.49 0.00 -2.08 0.00 0.00 39.78 38.80 1pk6 n ASN 194 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1pk6 h ASP 195 N 0.00 0.00 -3.16 0.53 3.32 -1.94 -0.18 116.42 114.99 1pk6 h ASP 195 Ca 0.00 0.00 -0.74 0.00 0.02 0.00 0.00 57.03 56.31 1pk6 h ASP 195 Cb 0.00 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 39.33 1pk6 h ASP 195 CO 0.00 0.00 -0.20 -0.31 -1.72 0.00 0.00 179.24 177.01 1pk6 s TYR 196 N -3.45 3.20 0.00 4.55 4.12 -1.26 -4.89 117.35 119.62 1pk6 s TYR 196 Ca 0.04 -1.06 0.00 0.00 0.02 0.00 0.00 57.07 56.07 1pk6 s TYR 196 Cb 0.08 -3.57 0.00 0.00 -1.52 0.00 0.00 41.96 36.95 1pk6 s TYR 196 CO 0.57 -0.97 0.72 2.48 0.02 0.00 0.00 175.55 178.37 1pk6 n TYR 197 N 5.43 0.00 -1.97 2.71 0.18 -1.20 -1.60 117.16 120.70 1pk6 n TYR 197 Ca -0.12 -0.25 -0.42 0.00 1.88 0.00 0.00 57.90 58.98 1pk6 n TYR 197 Cb 0.42 -0.03 -0.03 0.00 -0.38 0.00 0.00 39.34 39.33 1pk6 n TYR 197 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 1pk6 s ASP 198 N -0.51 6.62 -0.01 9.48 -1.08 -0.98 -4.00 116.67 126.20 1pk6 s ASP 198 Ca 0.00 2.55 0.24 0.00 -0.52 0.00 0.00 52.55 54.82 1pk6 s ASP 198 Cb 0.00 -2.59 0.40 0.00 -1.46 0.00 0.00 42.92 39.27 1pk6 s ASP 198 CO 0.00 -0.81 1.16 0.23 0.52 0.00 0.00 175.17 176.27 1pk6 n MET 199 N 4.21 0.06 -2.95 4.34 2.81 -1.26 -4.59 117.12 119.73 1pk6 n MET 199 Ca 0.14 -1.97 -0.44 0.00 -1.81 0.00 0.00 57.70 53.62 1pk6 n MET 199 Cb 0.39 -0.10 -0.03 0.00 -0.71 0.00 0.00 33.22 32.78 1pk6 n MET 199 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1pk6 s VAL 200 N -0.12 4.71 0.48 2.03 1.01 -1.25 -4.78 120.40 122.47 1pk6 s VAL 200 Ca 0.32 -1.35 -0.13 0.00 0.00 0.00 0.00 61.98 60.82 1pk6 s VAL 200 Cb 0.36 -4.72 -0.07 0.00 0.00 0.00 0.00 36.38 31.96 1pk6 s VAL 200 CO -0.15 -1.44 0.89 -0.83 0.00 0.00 0.00 175.10 173.57 1pk6 s GLY 201 N 3.56 1.94 0.93 4.51 0.00 -1.25 -2.94 107.32 114.07 1pk6 s GLY 201 Ca 0.28 -0.04 -0.12 0.00 0.00 0.00 0.00 44.72 44.84 1pk6 s GLY 201 CO -0.04 0.19 1.09 -0.26 0.00 0.00 0.00 173.10 174.08 1pk6 s ILE 202 N -2.58 2.49 -0.11 0.90 -4.36 -1.26 -4.84 121.20 111.44 1pk6 s ILE 202 Ca 0.55 0.16 -0.33 0.00 -0.26 0.00 0.00 60.65 60.77 1pk6 s ILE 202 Cb -0.10 -2.63 -0.10 0.00 1.25 0.00 0.00 42.46 40.88 1pk6 s ILE 202 CO 0.34 -0.21 1.98 1.67 0.24 0.00 0.00 174.94 178.97 1pk6 n GLN 203 N -3.99 2.17 0.00 0.37 7.27 -1.26 -1.24 117.38 120.71 1pk6 n GLN 203 Ca 0.06 0.76 0.00 0.00 0.07 0.00 0.00 57.00 57.89 1pk6 n GLN 203 Cb 0.56 -2.78 0.00 0.00 2.41 0.00 0.00 30.24 30.43 1pk6 n GLN 203 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1pk6 n GLY 204 N 4.84 0.46 3.10 1.69 0.00 -1.26 -5.07 105.19 108.95 1pk6 n GLY 204 Ca 0.25 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.94 1pk6 n GLY 204 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pk6 s SER 205 N -2.15 3.33 0.49 1.61 0.15 -0.37 -5.12 113.70 111.65 1pk6 s SER 205 Ca 0.00 -0.77 0.05 0.00 0.70 0.00 0.00 55.95 55.93 1pk6 s SER 205 Cb 0.00 -1.47 0.05 0.00 -1.71 0.00 0.00 66.02 62.89 1pk6 s SER 205 CO 0.00 -0.04 0.41 0.47 1.20 0.00 0.00 173.24 175.28 1pk6 n ASP 206 N 4.60 2.48 -3.98 5.45 9.92 -1.26 -4.32 116.55 129.44 1pk6 n ASP 206 Ca -0.19 -2.65 -0.24 0.00 -0.53 0.00 0.00 54.79 51.18 1pk6 n ASP 206 Cb 0.49 -0.08 -0.17 0.00 -0.64 0.00 0.00 41.12 40.72 1pk6 n ASP 206 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1pk6 s SER 207 N -3.92 1.59 0.08 -2.24 0.01 -1.26 -2.93 113.70 105.02 1pk6 s SER 207 Ca 0.31 -0.25 0.05 0.00 1.31 0.00 0.00 55.95 57.36 1pk6 s SER 207 Cb -0.02 -0.73 -0.03 0.00 0.21 0.00 0.00 66.02 65.45 1pk6 s SER 207 CO 0.20 -0.00 -0.13 0.54 0.41 0.00 0.00 173.24 174.26 1pk6 s VAL 208 N 0.81 1.05 -0.06 3.43 0.11 -0.30 -2.11 120.40 123.34 1pk6 s VAL 208 Ca -0.12 -1.36 -0.01 0.00 -2.93 0.00 0.00 61.98 57.55 1pk6 s VAL 208 Cb -0.15 -1.10 0.03 0.00 -1.53 0.00 0.00 36.38 33.63 1pk6 s VAL 208 CO 0.02 -0.30 0.02 0.12 -3.33 0.00 0.00 175.10 171.63 1pk6 s PHE 209 N -1.50 0.41 0.19 1.54 5.36 -0.00 -1.58 117.98 122.40 1pk6 s PHE 209 Ca -0.01 0.01 0.10 0.00 -0.96 0.00 0.00 56.93 56.06 1pk6 s PHE 209 Cb -0.09 -0.64 -0.04 0.00 -0.34 0.00 0.00 43.02 41.91 1pk6 s PHE 209 CO 0.02 -0.26 -0.20 -1.12 -1.46 0.00 0.00 175.22 172.21 1pk6 s SER 210 N 1.95 2.95 -0.21 6.13 0.01 0.42 -0.57 113.70 124.39 1pk6 s SER 210 Ca 0.03 -0.89 -0.25 0.00 1.31 0.00 0.00 55.95 56.16 1pk6 s SER 210 Cb -0.12 -0.19 0.07 0.00 0.21 0.00 0.00 66.02 65.98 1pk6 s SER 210 CO -0.04 0.00 0.67 -0.83 0.41 0.00 0.00 173.24 173.45 1pk6 s GLY 211 N -2.78 -0.51 -0.20 3.44 0.00 -0.47 -1.66 107.32 105.14 1pk6 s GLY 211 Ca 0.19 1.76 -0.25 0.00 0.00 0.00 0.00 44.72 46.42 1pk6 s GLY 211 CO 0.08 1.48 0.67 -0.11 0.00 0.00 0.00 173.10 175.22 1pk6 s PHE 212 N 0.03 -0.71 0.00 1.90 -0.12 -0.55 -0.54 117.98 118.00 1pk6 s PHE 212 Ca -0.02 1.60 -0.30 0.00 -0.05 0.00 0.00 56.93 58.15 1pk6 s PHE 212 Cb -0.04 0.29 -0.04 0.00 -0.63 0.00 0.00 43.02 42.60 1pk6 s PHE 212 CO 0.03 -0.42 1.20 -1.17 -0.05 0.00 0.00 175.22 174.81 1pk6 s LEU 213 N -0.08 4.33 -0.23 -1.99 2.96 0.11 -1.56 118.68 122.21 1pk6 s LEU 213 Ca -0.03 1.92 -0.12 0.00 -0.22 0.00 0.00 54.13 55.68 1pk6 s LEU 213 Cb -0.04 -3.57 -0.10 0.00 0.50 0.00 0.00 46.19 42.99 1pk6 s LEU 213 CO 0.03 -0.53 -0.31 0.18 -1.32 0.00 0.00 176.35 174.41 1pk6 n LEU 214 N 4.57 1.71 -4.02 -0.68 4.77 0.61 -4.74 117.00 119.22 1pk6 n LEU 214 Ca 0.10 0.30 -0.31 0.00 -0.03 0.00 0.00 56.01 56.06 1pk6 n LEU 214 Cb 0.46 -0.71 -0.15 0.00 -2.33 0.00 0.00 43.42 40.69 1pk6 n LEU 214 CO 0.55 0.43 -0.45 -0.36 -1.33 0.00 0.00 177.39 176.23 1pk6 s PHE 215 N -2.47 2.89 0.70 -1.77 0.08 -1.14 -4.99 117.98 111.28 1pk6 s PHE 215 Ca -0.33 -2.05 -0.15 0.00 0.12 0.00 0.00 56.93 54.52 1pk6 s PHE 215 Cb 0.12 -1.79 0.03 0.00 -0.57 0.00 0.00 43.02 40.81 1pk6 s PHE 215 CO 0.42 -0.83 1.20 -2.14 -0.10 0.00 0.00 175.22 173.77 1pk6 s PRO 216 N 1.23 2.32 0.00 0.24 0.02 -1.26 -1.76 135.00 135.78 1pk6 s PRO 216 Ca -0.07 1.73 0.00 0.00 0.02 0.00 0.00 61.00 62.68 1pk6 s PRO 216 Cb -0.19 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.47 1pk6 s PRO 216 CO -0.06 -1.69 0.00 -0.40 -0.33 0.00 0.00 177.00 174.52