#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nyi s THR 3 N 0.00 3.48 0.12 6.31 -4.23 -1.26 -3.89 115.64 116.16 2nyi s THR 3 Ca 0.00 1.46 0.08 0.00 -1.18 0.00 0.00 61.69 62.04 2nyi s THR 3 Cb 0.00 -3.93 -0.04 0.00 1.34 0.00 0.00 72.50 69.88 2nyi s THR 3 CO 0.00 0.34 -0.19 -1.10 -0.54 0.00 0.00 174.62 173.13 2nyi s GLN 4 N -1.32 1.12 -0.11 3.99 -1.52 0.14 -4.95 119.66 117.01 2nyi s GLN 4 Ca 0.45 -1.21 -0.04 0.00 -1.95 0.00 0.00 55.36 52.62 2nyi s GLN 4 Cb -0.32 -1.28 -0.04 0.00 -0.22 0.00 0.00 33.01 31.15 2nyi s GLN 4 CO 0.41 0.28 0.05 0.45 -0.25 0.00 0.00 175.29 176.23 2nyi s SER 5 N -2.12 5.59 0.07 5.90 0.15 -1.26 -1.31 113.70 120.72 2nyi s SER 5 Ca 0.08 0.22 0.06 0.00 0.70 0.00 0.00 55.95 57.01 2nyi s SER 5 Cb -0.09 -1.70 -0.03 0.00 -1.71 0.00 0.00 66.02 62.49 2nyi s SER 5 CO 0.04 0.36 -0.15 -0.36 1.20 0.00 0.00 173.24 174.33 2nyi s PHE 6 N -0.75 1.32 -0.20 3.44 0.08 0.82 -0.54 117.98 122.15 2nyi s PHE 6 Ca 0.12 -0.43 -0.05 0.00 0.12 0.00 0.00 56.93 56.69 2nyi s PHE 6 Cb -0.12 -0.75 -0.02 0.00 -0.57 0.00 0.00 43.02 41.56 2nyi s PHE 6 CO 0.03 0.08 -0.01 0.08 -0.10 0.00 0.00 175.22 175.30 2nyi s VAL 7 N -1.18 3.92 -0.09 -0.44 1.01 0.29 -0.53 120.40 123.38 2nyi s VAL 7 Ca 0.00 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.69 2nyi s VAL 7 Cb -0.10 -2.76 -0.00 0.00 0.00 0.00 0.00 36.38 33.51 2nyi s VAL 7 CO 0.02 0.43 -0.23 -0.69 0.00 0.00 0.00 175.10 174.64 2nyi s VAL 8 N 0.95 2.19 -0.06 2.92 1.01 0.12 -1.58 120.40 125.95 2nyi s VAL 8 Ca 0.01 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 61.05 2nyi s VAL 8 Cb -0.14 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.38 2nyi s VAL 8 CO 0.02 0.56 -0.18 -0.44 0.00 0.00 0.00 175.10 175.05 2nyi s SER 9 N 0.20 3.66 -0.04 3.32 0.01 -0.62 -0.66 113.70 119.56 2nyi s SER 9 Ca -0.14 -0.34 0.02 0.00 1.31 0.00 0.00 55.95 56.81 2nyi s SER 9 Cb -0.17 -0.93 0.01 0.00 0.21 0.00 0.00 66.02 65.15 2nyi s SER 9 CO 0.07 0.28 -0.09 -0.69 0.41 0.00 0.00 173.24 173.22 2nyi s VAL 10 N -0.36 0.84 -0.03 3.43 1.01 -1.26 -1.37 120.40 122.66 2nyi s VAL 10 Ca 0.03 -0.34 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 2nyi s VAL 10 Cb -0.12 -0.78 0.01 0.00 0.00 0.00 0.00 36.38 35.48 2nyi s VAL 10 CO 0.02 0.28 0.12 0.00 0.00 0.00 0.00 175.10 175.52 2nyi s ALA 11 N 0.52 -0.29 0.00 5.51 0.00 0.23 -4.24 121.76 123.50 2nyi s ALA 11 Ca -0.09 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.06 2nyi s ALA 11 Cb -0.13 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.88 2nyi s ALA 11 CO 0.01 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.09 2nyi n GLY 12 N 2.59 -1.21 3.74 0.00 0.00 -0.86 -0.19 105.19 109.26 2nyi n GLY 12 Ca -0.15 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 2nyi n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2nyi s SER 13 N -2.51 7.23 0.42 1.61 0.01 -1.26 -0.62 113.70 118.58 2nyi s SER 13 Ca 0.00 2.17 -0.25 0.00 1.31 0.00 0.00 55.95 59.18 2nyi s SER 13 Cb 0.00 -2.61 -0.08 0.00 0.21 0.00 0.00 66.02 63.54 2nyi s SER 13 CO 0.00 -0.23 1.24 -0.62 0.41 0.00 0.00 173.24 174.04 2nyi s ASP 14 N -0.29 6.29 0.15 2.44 2.15 0.60 -4.71 116.67 123.30 2nyi s ASP 14 Ca 0.49 2.50 -0.24 0.00 0.43 0.00 0.00 52.55 55.73 2nyi s ASP 14 Cb -0.31 -2.62 0.06 0.00 -0.30 0.00 0.00 42.92 39.75 2nyi s ASP 14 CO 0.37 -0.85 0.71 0.00 -0.17 0.00 0.00 175.17 175.23 2nyi s ARG 15 N -2.37 1.30 0.34 4.34 1.70 -1.26 -4.94 118.95 118.05 2nyi s ARG 15 Ca 0.59 -0.57 -0.29 0.00 -0.47 0.00 0.00 55.73 55.00 2nyi s ARG 15 Cb -0.34 0.54 -0.10 0.00 -0.57 0.00 0.00 34.95 34.47 2nyi s ARG 15 CO 0.43 -0.58 1.36 0.08 -1.08 0.00 0.00 175.30 175.51 2nyi s VAL 16 N -3.63 2.55 0.00 4.99 1.01 -1.26 -3.70 120.40 120.36 2nyi s VAL 16 Ca 0.05 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.58 2nyi s VAL 16 Cb -0.02 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 33.01 2nyi s VAL 16 CO -0.07 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.77 2nyi n GLY 17 N 0.84 0.73 0.18 4.51 0.00 -1.26 -4.98 105.19 105.20 2nyi n GLY 17 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 2nyi n GLY 17 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2nyi h ILE 18 N 0.00 0.78 -0.94 -0.61 2.04 -2.00 -0.25 117.51 116.53 2nyi h ILE 18 Ca 0.00 -0.42 0.02 0.00 1.00 0.00 0.00 64.86 65.46 2nyi h ILE 18 Cb 0.00 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.05 2nyi h ILE 18 CO 0.00 0.09 0.62 0.58 0.00 0.00 0.00 178.15 179.44 2nyi h VAL 19 N -0.58 1.21 -0.26 1.67 2.07 -1.94 -0.26 116.25 118.18 2nyi h VAL 19 Ca -0.04 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 2nyi h VAL 19 Cb 0.42 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 2nyi h VAL 19 CO 0.06 0.23 0.16 -0.74 0.02 0.00 0.00 177.57 177.29 2nyi h HIS 20 N 1.24 0.34 -0.67 1.57 -0.00 -1.94 -0.57 115.15 115.11 2nyi h HIS 20 Ca 0.35 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.72 2nyi h HIS 20 Cb -0.10 -0.11 -0.03 0.00 -0.00 0.00 0.00 27.41 27.17 2nyi h HIS 20 CO -0.01 0.25 0.42 -0.44 -0.00 0.00 0.00 177.93 178.15 2nyi h ASP 21 N 0.32 0.80 -0.09 3.26 3.32 -0.41 0.20 116.42 123.82 2nyi h ASP 21 Ca 0.09 -0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.12 2nyi h ASP 21 Cb 0.01 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 2nyi h ASP 21 CO -0.02 0.61 -0.07 0.15 -1.72 0.00 0.00 179.24 178.19 2nyi h PHE 22 N 0.91 -0.17 -0.46 4.55 3.57 -0.95 -1.76 116.94 122.63 2nyi h PHE 22 Ca 0.24 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.64 2nyi h PHE 22 Cb -0.05 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 2nyi h PHE 22 CO -0.02 -0.11 -0.18 0.77 -2.23 0.00 0.00 178.31 176.54 2nyi h SER 23 N -0.08 0.95 -0.54 0.41 0.02 -0.67 -2.20 113.55 111.45 2nyi h SER 23 Ca 0.06 -0.39 0.03 0.00 -0.84 0.00 0.00 61.79 60.65 2nyi h SER 23 Cb 0.17 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.41 2nyi h SER 23 CO -0.14 1.12 0.32 -0.25 -1.14 0.00 0.00 176.83 176.75 2nyi h TRP 24 N 0.77 0.60 -0.52 3.45 7.01 -0.56 -1.14 115.95 125.57 2nyi h TRP 24 Ca 0.11 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.11 2nyi h TRP 24 Cb 0.74 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 27.59 2nyi h TRP 24 CO 0.05 0.34 0.27 0.00 -2.79 0.00 0.00 178.44 176.31 2nyi h ALA 25 N 1.24 0.66 -0.48 2.65 0.00 -0.93 -1.75 119.26 120.64 2nyi h ALA 25 Ca 0.22 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 2nyi h ALA 25 Cb 0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2nyi h ALA 25 CO -0.10 0.20 -0.02 -0.07 0.00 0.00 0.00 179.25 179.27 2nyi h LEU 26 N 0.69 0.85 -1.00 0.00 3.38 -1.29 -3.00 115.31 114.94 2nyi h LEU 26 Ca 0.18 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.86 2nyi h LEU 26 Cb 0.08 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 2nyi h LEU 26 CO -0.03 0.96 0.66 0.50 0.09 0.00 0.00 178.44 180.62 2nyi h LYS 27 N 0.72 1.25 -0.12 1.13 3.64 -0.91 -0.31 116.57 121.98 2nyi h LYS 27 Ca 0.14 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2nyi h LYS 27 Cb 0.54 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2nyi h LYS 27 CO 0.03 0.83 0.00 0.09 -2.27 0.00 0.00 179.45 178.13 2nyi n ASN 28 N -4.43 1.00 -0.14 4.20 3.02 -0.69 -1.81 115.26 116.41 2nyi n ASN 28 Ca 0.13 -1.69 0.03 0.00 -0.03 0.00 0.00 54.58 53.03 2nyi n ASN 28 Cb 0.07 -0.08 0.06 0.00 -0.61 0.00 0.00 39.78 39.22 2nyi n ASN 28 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 2nyi n ILE 29 N -0.08 1.26 -3.22 2.41 -5.35 -0.89 -5.01 119.36 108.47 2nyi n ILE 29 Ca 0.13 -1.32 -0.23 0.00 -0.27 0.00 0.00 62.75 61.05 2nyi n ILE 29 Cb 0.21 0.30 0.04 0.00 -1.74 0.00 0.00 39.64 38.45 2nyi n ILE 29 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2nyi n SER 30 N -0.59 -5.87 -4.87 7.28 7.64 -0.75 -5.01 113.62 111.45 2nyi n SER 30 Ca 0.06 -0.37 -0.34 0.00 1.01 0.00 0.00 58.87 59.22 2nyi n SER 30 Cb 0.39 -4.72 -0.05 0.00 -1.01 0.00 0.00 64.21 58.82 2nyi n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2nyi s ALA 31 N -3.19 3.74 -0.05 -0.43 0.00 -0.18 -4.72 121.76 116.93 2nyi s ALA 31 Ca 0.39 -0.41 0.03 0.00 0.00 0.00 0.00 51.96 51.97 2nyi s ALA 31 Cb -0.18 -2.25 -0.03 0.00 0.00 0.00 0.00 23.12 20.67 2nyi s ALA 31 CO 0.48 0.58 -0.11 1.21 0.00 0.00 0.00 175.76 177.92 2nyi s ASN 32 N -1.84 4.31 -0.38 0.00 2.47 0.07 -4.28 114.94 115.29 2nyi s ASN 32 Ca 0.34 -0.13 -0.29 0.00 0.42 0.00 0.00 52.86 53.20 2nyi s ASN 32 Cb -0.14 -0.98 0.02 0.00 -1.45 0.00 0.00 41.25 38.70 2nyi s ASN 32 CO 0.19 0.35 1.19 -0.69 -3.72 0.00 0.00 177.10 174.41 2nyi s VAL 33 N -0.79 4.26 -0.05 -5.21 1.01 -1.26 -0.32 120.40 118.04 2nyi s VAL 33 Ca 0.12 1.38 -0.23 0.00 0.00 0.00 0.00 61.98 63.25 2nyi s VAL 33 Cb -0.11 -4.40 -0.27 0.00 0.00 0.00 0.00 36.38 31.60 2nyi s VAL 33 CO 0.01 -0.69 0.95 -0.08 0.00 0.00 0.00 175.10 175.30 2nyi h GLU 34 N 9.03 0.26 -2.96 2.72 4.81 -0.92 -3.48 114.58 124.03 2nyi h GLU 34 Ca -0.23 -0.35 -0.01 0.00 -0.13 0.00 0.00 59.36 58.63 2nyi h GLU 34 Cb 1.07 0.12 -0.12 0.00 0.63 0.00 0.00 28.75 30.46 2nyi h GLU 34 CO 1.07 1.11 0.23 -1.54 -0.73 0.00 0.00 179.01 179.15 2nyi s SER 35 N -6.68 -0.54 -0.01 1.04 1.04 -1.16 -4.99 113.70 102.39 2nyi s SER 35 Ca -0.15 -0.03 -0.24 0.00 0.48 0.00 0.00 55.95 56.01 2nyi s SER 35 Cb 0.01 0.60 0.05 0.00 0.10 0.00 0.00 66.02 66.78 2nyi s SER 35 CO 0.79 -0.97 0.52 -0.94 0.98 0.00 0.00 173.24 173.62 2nyi s SER 36 N -2.75 -0.46 0.21 7.02 1.04 -1.26 -0.88 113.70 116.63 2nyi s SER 36 Ca 0.02 0.38 -0.00 0.00 0.48 0.00 0.00 55.95 56.83 2nyi s SER 36 Cb -0.01 0.46 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 2nyi s SER 36 CO -0.12 -0.59 0.12 -0.13 0.98 0.00 0.00 173.24 173.50 2nyi s ARG 37 N -1.56 1.25 0.00 4.02 0.52 -0.30 -5.02 118.95 117.87 2nyi s ARG 37 Ca -0.10 -1.66 0.00 0.00 -0.52 0.00 0.00 55.73 53.45 2nyi s ARG 37 Cb -0.02 0.11 0.00 0.00 0.52 0.00 0.00 34.95 35.56 2nyi s ARG 37 CO 0.05 -0.35 0.00 0.00 0.02 0.00 0.00 175.30 175.02 2nyi n ALA 39 N -0.32 0.00 -3.60 2.13 0.00 0.47 -1.41 120.51 117.78 2nyi n ALA 39 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.36 2nyi n ALA 39 Cb 0.66 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.01 2nyi n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2nyi s LEU 41 N 2.58 -0.44 -1.67 0.00 2.96 -0.67 -4.97 118.68 116.46 2nyi s LEU 41 Ca 0.02 1.28 0.00 0.00 -0.22 0.00 0.00 54.13 55.21 2nyi s LEU 41 Cb -0.13 2.17 0.00 0.00 0.50 0.00 0.00 46.19 48.74 2nyi s LEU 41 CO -0.13 -0.22 0.00 0.61 -1.32 0.00 0.00 176.35 175.29 2nyi n GLY 42 N 2.81 0.47 1.21 7.98 0.00 -1.26 -1.10 105.19 115.29 2nyi n GLY 42 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2nyi n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nyi n GLY 43 N -0.67 0.70 3.76 -0.02 0.00 -1.26 -5.06 105.19 102.65 2nyi n GLY 43 Ca -0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 2nyi n GLY 43 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2nyi s ASP 44 N -2.98 5.30 -0.04 1.61 1.11 -0.26 -0.29 116.67 121.11 2nyi s ASP 44 Ca 0.00 -0.23 0.05 0.00 0.18 0.00 0.00 52.55 52.55 2nyi s ASP 44 Cb 0.00 -1.31 -0.01 0.00 1.07 0.00 0.00 42.92 42.68 2nyi s ASP 44 CO 0.00 0.06 -0.18 0.12 1.18 0.00 0.00 175.17 176.35 2nyi s PHE 45 N -1.82 1.71 0.26 4.23 5.36 0.21 -1.67 117.98 126.27 2nyi s PHE 45 Ca 0.30 -0.46 -0.00 0.00 -0.96 0.00 0.00 56.93 55.81 2nyi s PHE 45 Cb -0.09 -1.15 -0.03 0.00 -0.34 0.00 0.00 43.02 41.41 2nyi s PHE 45 CO 0.22 -0.14 0.26 0.00 -1.46 0.00 0.00 175.22 174.10 2nyi s ALA 46 N -0.05 1.15 -0.25 11.12 0.00 0.16 -2.03 121.76 131.85 2nyi s ALA 46 Ca -0.02 -1.69 -0.17 0.00 0.00 0.00 0.00 51.96 50.08 2nyi s ALA 46 Cb -0.11 1.35 0.07 0.00 0.00 0.00 0.00 23.12 24.43 2nyi s ALA 46 CO 0.02 -0.67 0.62 0.42 0.00 0.00 0.00 175.76 176.15 2nyi s ILE 48 N -3.80 -0.00 -0.02 0.00 1.01 -0.50 -0.40 121.20 117.50 2nyi s ILE 48 Ca 0.36 0.01 0.02 0.00 0.00 0.00 0.00 60.65 61.05 2nyi s ILE 48 Cb 0.04 -0.89 0.00 0.00 0.01 0.00 0.00 42.46 41.62 2nyi s ILE 48 CO 0.17 0.01 -0.06 -0.69 0.00 0.00 0.00 174.94 174.36 2nyi s VAL 49 N 1.07 0.56 -0.24 2.92 1.01 0.16 -1.15 120.40 124.73 2nyi s VAL 49 Ca -0.06 -0.25 -0.17 0.00 0.00 0.00 0.00 61.98 61.51 2nyi s VAL 49 Cb -0.05 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.79 2nyi s VAL 49 CO -0.10 0.18 0.45 -0.76 0.00 0.00 0.00 175.10 174.86 2nyi s LEU 50 N 0.16 4.09 -0.10 3.92 1.43 -0.06 -0.70 118.68 127.42 2nyi s LEU 50 Ca -0.02 0.48 0.04 0.00 -1.03 0.00 0.00 54.13 53.59 2nyi s LEU 50 Cb -0.06 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.59 2nyi s LEU 50 CO -0.00 -0.19 -0.21 -0.69 0.23 0.00 0.00 176.35 175.48 2nyi s VAL 51 N 1.91 1.86 -0.14 -1.59 1.01 0.31 -0.18 120.40 123.58 2nyi s VAL 51 Ca 0.19 -0.90 -0.07 0.00 0.00 0.00 0.00 61.98 61.20 2nyi s VAL 51 Cb -0.15 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 2nyi s VAL 51 CO 0.09 0.51 0.12 -0.44 0.00 0.00 0.00 175.10 175.39 2nyi s SER 52 N 0.45 6.23 -0.09 3.32 0.01 0.57 -0.13 113.70 124.05 2nyi s SER 52 Ca -0.17 0.36 -0.08 0.00 1.31 0.00 0.00 55.95 57.37 2nyi s SER 52 Cb -0.17 -2.03 0.03 0.00 0.21 0.00 0.00 66.02 64.05 2nyi s SER 52 CO 0.07 0.33 0.24 -0.22 0.41 0.00 0.00 173.24 174.08 2nyi s LEU 53 N -0.58 1.03 -1.29 2.44 2.96 -0.43 -0.75 118.68 122.06 2nyi s LEU 53 Ca 0.12 0.49 -0.14 0.00 -0.22 0.00 0.00 54.13 54.38 2nyi s LEU 53 Cb -0.12 0.83 -0.03 0.00 0.50 0.00 0.00 46.19 47.37 2nyi s LEU 53 CO 0.02 -0.09 2.28 0.59 -1.32 0.00 0.00 176.35 177.83 2nyi n ASN 54 N 3.02 4.50 -3.50 3.68 4.13 -1.26 -0.68 115.26 125.14 2nyi n ASN 54 Ca -0.13 -2.71 -0.14 0.00 1.68 0.00 0.00 54.58 53.27 2nyi n ASN 54 Cb 0.58 -1.47 -0.04 0.00 -1.54 0.00 0.00 39.78 37.30 2nyi n ASN 54 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2nyi s ALA 55 N 3.44 -1.76 0.06 5.41 0.00 -1.25 -4.89 121.76 122.77 2nyi s ALA 55 Ca 0.53 1.13 -0.16 0.00 0.00 0.00 0.00 51.96 53.46 2nyi s ALA 55 Cb 0.14 0.15 -0.21 0.00 0.00 0.00 0.00 23.12 23.20 2nyi s ALA 55 CO -0.03 -0.50 1.20 -0.22 0.00 0.00 0.00 175.76 176.21 2nyi h LYS 56 N 2.55 0.63 -5.31 0.00 1.63 -1.88 -3.40 116.57 110.79 2nyi h LYS 56 Ca -0.27 -0.62 -0.56 0.00 -0.85 0.00 0.00 60.65 58.36 2nyi h LYS 56 Cb 1.20 0.16 -0.13 0.00 -0.60 0.00 0.00 32.23 32.85 2nyi h LYS 56 CO 0.36 1.22 -0.58 0.16 -3.45 0.00 0.00 179.45 177.17 2nyi s ASP 57 N -7.04 3.12 -0.05 4.20 1.47 -1.26 -5.04 116.67 112.07 2nyi s ASP 57 Ca -0.11 -1.46 0.18 0.00 1.18 0.00 0.00 52.55 52.33 2nyi s ASP 57 Cb 0.06 0.01 0.60 0.00 -0.34 0.00 0.00 42.92 43.25 2nyi s ASP 57 CO 0.88 -0.65 1.50 0.61 0.68 0.00 0.00 175.17 178.19 2nyi n GLY 58 N -0.89 2.18 0.36 2.12 0.00 -1.26 -4.47 105.19 103.23 2nyi n GLY 58 Ca -0.06 -0.72 0.14 0.00 0.00 0.00 0.00 46.02 45.38 2nyi n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nyi h LYS 59 N 3.65 0.70 -0.48 1.61 1.57 -1.97 -0.44 116.57 121.22 2nyi h LYS 59 Ca 0.00 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 2nyi h LYS 59 Cb 1.08 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 2nyi h LYS 59 CO 0.11 0.46 0.09 1.25 -0.57 0.00 0.00 179.45 180.79 2nyi h LEU 60 N 0.72 0.75 0.05 2.94 5.85 -2.00 -1.03 115.31 122.60 2nyi h LEU 60 Ca 0.57 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 59.03 2nyi h LEU 60 Cb 0.94 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.77 2nyi h LEU 60 CO -0.35 0.81 -0.02 0.40 -0.34 0.00 0.00 178.44 178.94 2nyi h ILE 61 N 0.66 0.98 -0.29 4.05 2.04 -1.47 -0.61 117.51 122.87 2nyi h ILE 61 Ca 0.15 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.91 2nyi h ILE 61 Cb 0.38 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 2nyi h ILE 61 CO 0.01 0.02 0.18 -0.61 0.00 0.00 0.00 178.15 177.76 2nyi h GLN 62 N -0.11 0.39 -0.33 2.37 5.75 -1.04 -1.06 115.11 121.09 2nyi h GLN 62 Ca -0.01 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 2nyi h GLN 62 Cb 0.09 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.54 2nyi h GLN 62 CO 0.01 0.28 0.18 0.77 -2.65 0.00 0.00 178.83 177.42 2nyi h SER 63 N 0.38 0.41 -0.85 -0.69 0.02 -1.13 -0.71 113.55 110.98 2nyi h SER 63 Ca 0.11 -0.09 0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2nyi h SER 63 Cb -0.01 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.38 2nyi h SER 63 CO -0.02 0.38 0.56 0.00 -1.14 0.00 0.00 176.83 176.62 2nyi h ALA 64 N 1.04 1.09 -0.17 3.77 0.00 -0.80 -2.02 119.26 122.17 2nyi h ALA 64 Ca 0.12 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.76 2nyi h ALA 64 Cb 0.07 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.53 2nyi h ALA 64 CO -0.02 0.46 -0.71 -0.07 0.00 0.00 0.00 179.25 178.91 2nyi h LEU 65 N 1.14 0.93 -1.40 0.00 3.38 -1.08 -2.06 115.31 116.22 2nyi h LEU 65 Ca 0.32 -0.61 0.01 0.00 0.09 0.00 0.00 57.88 57.69 2nyi h LEU 65 Cb -0.10 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.35 2nyi h LEU 65 CO -0.08 1.39 0.41 -0.33 0.09 0.00 0.00 178.44 179.92 2nyi h GLU 66 N 0.53 0.79 -0.32 1.13 5.08 -0.93 0.86 114.58 121.72 2nyi h GLU 66 Ca -0.04 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 2nyi h GLU 66 Cb 1.34 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 2nyi h GLU 66 CO 0.15 0.53 -0.20 1.03 -1.00 0.00 0.00 179.01 179.52 2nyi h SER 67 N 0.82 0.73 0.87 1.42 0.87 -1.24 -3.08 113.55 113.93 2nyi h SER 67 Ca 0.23 -0.43 -0.13 0.00 -1.23 0.00 0.00 61.79 60.24 2nyi h SER 67 Cb -0.06 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.68 2nyi h SER 67 CO -0.05 1.00 -0.61 0.00 -0.53 0.00 0.00 176.83 176.64 2nyi h ALA 68 N 0.76 0.82 -2.13 6.23 0.00 -1.02 -3.37 119.26 120.55 2nyi h ALA 68 Ca 0.07 -0.55 -0.54 0.00 0.00 0.00 0.00 54.91 53.89 2nyi h ALA 68 Cb 0.74 -0.10 -0.41 0.00 0.00 0.00 0.00 17.79 18.03 2nyi h ALA 68 CO 0.06 0.76 -0.93 1.28 0.00 0.00 0.00 179.25 180.41 2nyi n LEU 69 N -3.56 2.39 -4.76 0.00 4.77 0.26 -4.87 117.00 111.23 2nyi n LEU 69 Ca -0.00 -5.27 -0.39 0.00 -0.03 0.00 0.00 56.01 50.31 2nyi n LEU 69 Cb 0.66 0.11 0.01 0.00 -2.33 0.00 0.00 43.42 41.88 2nyi n LEU 69 CO 0.41 2.28 1.00 -2.16 -1.33 0.00 0.00 177.39 177.59 2nyi s PRO 70 N -2.71 3.68 0.00 3.23 0.04 -1.17 -2.14 135.00 135.93 2nyi s PRO 70 Ca 0.43 2.26 0.00 0.00 0.04 0.00 0.00 61.00 63.73 2nyi s PRO 70 Cb 0.29 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 32.23 2nyi s PRO 70 CO -0.10 -0.77 0.00 0.41 0.04 0.00 0.00 177.00 176.58 2nyi n GLY 71 N 0.62 2.96 3.79 0.56 0.00 -1.26 -5.02 105.19 106.84 2nyi n GLY 71 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 2nyi n GLY 71 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nyi s PHE 72 N -1.61 3.07 -0.38 1.61 0.08 -0.91 -4.97 117.98 114.87 2nyi s PHE 72 Ca 0.00 1.60 -0.23 0.00 0.12 0.00 0.00 56.93 58.42 2nyi s PHE 72 Cb 0.00 -3.14 0.01 0.00 -0.57 0.00 0.00 43.02 39.32 2nyi s PHE 72 CO 0.00 -0.87 0.78 -1.14 -0.10 0.00 0.00 175.22 173.89 2nyi s GLN 73 N -2.87 3.68 -0.03 0.44 0.74 0.74 -4.94 119.66 117.42 2nyi s GLN 73 Ca 0.63 0.22 0.04 0.00 0.05 0.00 0.00 55.36 56.30 2nyi s GLN 73 Cb -0.20 -3.83 -0.00 0.00 1.10 0.00 0.00 33.01 30.07 2nyi s GLN 73 CO 0.25 -0.90 -0.13 0.42 -0.55 0.00 0.00 175.29 174.38 2nyi s ILE 74 N 3.13 1.11 0.04 -2.34 1.01 -1.26 -0.60 121.20 122.29 2nyi s ILE 74 Ca 0.31 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.43 2nyi s ILE 74 Cb -0.13 -0.96 -0.02 0.00 0.01 0.00 0.00 42.46 41.35 2nyi s ILE 74 CO 0.18 0.33 -0.07 -0.94 0.00 0.00 0.00 174.94 174.44 2nyi s SER 75 N 0.07 0.74 -0.03 3.58 1.04 -0.47 -4.99 113.70 113.64 2nyi s SER 75 Ca -0.02 -0.51 0.01 0.00 0.48 0.00 0.00 55.95 55.90 2nyi s SER 75 Cb -0.10 0.04 0.02 0.00 0.10 0.00 0.00 66.02 66.08 2nyi s SER 75 CO 0.01 -0.20 -0.02 -0.89 0.98 0.00 0.00 173.24 173.12 2nyi s THR 76 N -1.31 0.33 0.06 2.02 2.01 -1.26 -1.59 115.64 115.89 2nyi s THR 76 Ca -0.10 -0.03 -0.05 0.00 0.31 0.00 0.00 61.69 61.82 2nyi s THR 76 Cb -0.09 -0.37 -0.02 0.00 0.01 0.00 0.00 72.50 72.02 2nyi s THR 76 CO 0.00 0.16 0.07 0.00 -0.69 0.00 0.00 174.62 174.17 2nyi s ARG 77 N 0.78 0.66 0.52 4.92 1.70 -0.61 -4.96 118.95 121.96 2nyi s ARG 77 Ca -0.09 -0.97 -0.22 0.00 -0.47 0.00 0.00 55.73 53.98 2nyi s ARG 77 Cb -0.12 0.25 -0.06 0.00 -0.57 0.00 0.00 34.95 34.45 2nyi s ARG 77 CO -0.01 -0.16 1.30 0.54 -1.08 0.00 0.00 175.30 175.89 2nyi n ARG 78 N 0.33 1.69 -1.95 3.89 1.74 -1.26 -0.55 116.66 120.55 2nyi n ARG 78 Ca -0.16 0.62 -0.38 0.00 -0.77 0.00 0.00 57.85 57.16 2nyi n ARG 78 Cb 0.60 -2.50 0.03 0.00 -1.02 0.00 0.00 32.46 29.57 2nyi n ARG 78 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2nyi s ALA 79 N -1.29 2.80 0.47 7.54 0.00 0.29 -4.55 121.76 127.03 2nyi s ALA 79 Ca 0.69 1.17 -0.23 0.00 0.00 0.00 0.00 51.96 53.59 2nyi s ALA 79 Cb -0.44 -3.50 -0.07 0.00 0.00 0.00 0.00 23.12 19.12 2nyi s ALA 79 CO 0.51 -1.15 1.25 -1.12 0.00 0.00 0.00 175.76 175.25 2nyi s SER 80 N -1.18 5.94 -0.05 0.00 0.01 -1.26 -5.00 113.70 112.16 2nyi s SER 80 Ca 0.71 2.52 -0.01 0.00 1.31 0.00 0.00 55.95 60.48 2nyi s SER 80 Cb -0.35 -2.62 -0.00 0.00 0.21 0.00 0.00 66.02 63.25 2nyi s SER 80 CO 0.41 -1.09 -0.02 0.77 0.41 0.00 0.00 173.24 173.73 2nyi h SER 81 N 2.03 0.00 0.00 2.44 4.64 -2.02 -3.53 113.55 117.11 2nyi h SER 81 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 2nyi h SER 81 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2nyi h SER 81 CO 0.60 0.27 0.00 0.55 -0.87 0.00 0.00 176.83 177.38 2nyi n VAL 82 N -3.37 0.00 -4.21 0.95 3.14 -1.26 -5.32 118.33 108.26 2nyi n VAL 82 Ca -0.01 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.25 2nyi n VAL 82 Cb 0.02 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 32.70 2nyi n VAL 82 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 2nyi s VAL 87 N 0.00 0.28 0.23 1.55 -7.23 -1.26 -5.31 120.40 108.66 2nyi s VAL 87 Ca 0.00 -1.96 -0.32 0.00 -1.81 0.00 0.00 61.98 57.90 2nyi s VAL 87 Cb 0.00 -2.24 -0.14 0.00 0.56 0.00 0.00 36.38 34.56 2nyi s VAL 87 CO 0.00 -0.30 1.41 -0.24 -0.31 0.00 0.00 175.10 175.65 2nyi n SER 88 N -0.22 2.69 0.16 4.85 2.88 -1.26 -4.84 113.62 117.88 2nyi n SER 88 Ca -0.03 1.14 0.10 0.00 -1.33 0.00 0.00 58.87 58.75 2nyi n SER 88 Cb 0.64 -1.41 0.56 0.00 -0.75 0.00 0.00 64.21 63.25 2nyi n SER 88 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2nyi n PRO 89 N 2.13 0.13 0.00 -1.46 -0.04 -1.26 -0.77 135.00 133.73 2nyi n PRO 89 Ca 0.12 0.63 0.14 0.00 -0.04 0.00 0.00 63.50 64.35 2nyi n PRO 89 Cb 0.31 -1.95 0.49 0.00 -0.04 0.00 0.00 33.50 32.30 2nyi n PRO 89 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2nyi n ASP 90 N -2.22 0.94 -4.74 3.54 8.00 -1.26 -4.89 116.55 115.92 2nyi n ASP 90 Ca -0.01 -0.94 -0.42 0.00 0.71 0.00 0.00 54.79 54.13 2nyi n ASP 90 Cb 0.05 0.05 -0.02 0.00 -0.02 0.00 0.00 41.12 41.18 2nyi n ASP 90 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2nyi n THR 91 N -0.57 0.90 -4.24 -3.53 -1.04 0.05 -1.29 114.28 104.56 2nyi n THR 91 Ca 0.15 -0.22 -0.14 0.00 -2.04 0.00 0.00 64.05 61.79 2nyi n THR 91 Cb 0.32 -1.98 -0.10 0.00 -1.82 0.00 0.00 70.33 66.75 2nyi n THR 91 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2nyi s ARG 92 N -0.30 1.02 0.07 -2.82 1.81 -0.45 -4.86 118.95 113.42 2nyi s ARG 92 Ca 0.65 -1.41 0.02 0.00 -1.72 0.00 0.00 55.73 53.27 2nyi s ARG 92 Cb -0.49 -0.59 -0.04 0.00 -0.45 0.00 0.00 34.95 33.38 2nyi s ARG 92 CO 0.46 0.07 0.11 -1.21 -0.68 0.00 0.00 175.30 174.06 2nyi s GLU 93 N -3.63 3.02 0.00 3.54 2.02 -1.26 -1.80 118.70 120.60 2nyi s GLU 93 Ca 0.15 -0.62 -0.00 0.00 0.02 0.00 0.00 54.97 54.52 2nyi s GLU 93 Cb 0.02 -2.81 -0.00 0.00 0.10 0.00 0.00 34.13 31.44 2nyi s GLU 93 CO 0.00 0.58 -0.01 0.71 0.02 0.00 0.00 175.26 176.57 2nyi s TYR 94 N -1.40 0.06 -0.15 1.61 2.02 0.20 -0.01 117.35 119.68 2nyi s TYR 94 Ca 0.30 -0.12 -0.16 0.00 -0.37 0.00 0.00 57.07 56.72 2nyi s TYR 94 Cb -0.12 -0.04 -0.04 0.00 -0.40 0.00 0.00 41.96 41.35 2nyi s TYR 94 CO 0.23 -0.05 0.38 -1.21 -1.57 0.00 0.00 175.55 173.33 2nyi s GLU 95 N -0.35 4.28 -0.10 -0.62 0.41 0.69 -1.00 118.70 122.01 2nyi s GLU 95 Ca -0.04 0.25 0.03 0.00 -0.41 0.00 0.00 54.97 54.79 2nyi s GLU 95 Cb -0.02 -3.45 -0.01 0.00 -1.78 0.00 0.00 34.13 28.87 2nyi s GLU 95 CO -0.00 0.16 -0.19 -1.17 -0.49 0.00 0.00 175.26 173.57 2nyi s LEU 96 N 0.67 2.42 -0.03 1.80 2.96 0.66 -1.06 118.68 126.09 2nyi s LEU 96 Ca 0.20 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 53.72 2nyi s LEU 96 Cb -0.14 -1.50 0.01 0.00 0.50 0.00 0.00 46.19 45.05 2nyi s LEU 96 CO 0.07 0.20 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.91 2nyi s TYR 97 N 0.12 0.89 -0.04 5.38 2.02 -0.21 -0.60 117.35 124.91 2nyi s TYR 97 Ca -0.09 -0.22 0.02 0.00 -0.37 0.00 0.00 57.07 56.41 2nyi s TYR 97 Cb -0.15 -0.65 0.01 0.00 -0.40 0.00 0.00 41.96 40.76 2nyi s TYR 97 CO 0.06 -0.11 -0.10 0.08 -1.57 0.00 0.00 175.55 173.91 2nyi s VAL 98 N 0.27 0.90 -0.11 0.71 1.01 -1.26 -0.85 120.40 121.08 2nyi s VAL 98 Ca -0.04 -0.40 -0.08 0.00 0.00 0.00 0.00 61.98 61.46 2nyi s VAL 98 Cb -0.09 -0.82 0.04 0.00 0.00 0.00 0.00 36.38 35.51 2nyi s VAL 98 CO 0.00 0.29 0.27 -0.70 0.00 0.00 0.00 175.10 174.96 2nyi s GLU 99 N 0.36 0.27 0.00 2.72 2.12 -0.16 -4.26 118.70 119.75 2nyi s GLU 99 Ca -0.07 0.47 0.00 0.00 0.36 0.00 0.00 54.97 55.73 2nyi s GLU 99 Cb -0.11 0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.31 2nyi s GLU 99 CO 0.01 -0.10 0.00 0.41 -0.54 0.00 0.00 175.26 175.05 2nyi n GLY 100 N 3.56 -0.96 3.78 -1.50 0.00 -0.91 -0.36 105.19 108.80 2nyi n GLY 100 Ca -0.19 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 2nyi n GLY 100 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2nyi s PRO 101 N -0.66 4.10 0.47 1.61 0.02 -1.26 -0.63 135.00 138.65 2nyi s PRO 101 Ca 0.00 2.58 -0.22 0.00 0.02 0.00 0.00 61.00 63.38 2nyi s PRO 101 Cb 0.00 -2.97 -0.07 0.00 0.02 0.00 0.00 34.50 31.48 2nyi s PRO 101 CO 0.00 -0.55 1.15 0.34 -0.33 0.00 0.00 177.00 177.61 2nyi s ASP 102 N -0.08 6.16 0.16 2.53 2.15 0.12 -4.63 116.67 123.07 2nyi s ASP 102 Ca 0.54 2.26 -0.19 0.00 0.43 0.00 0.00 52.55 55.58 2nyi s ASP 102 Cb -0.47 -2.60 0.05 0.00 -0.30 0.00 0.00 42.92 39.60 2nyi s ASP 102 CO 0.62 -0.92 0.50 -0.94 -0.17 0.00 0.00 175.17 174.27 2nyi s SER 103 N -1.45 -0.36 0.47 -0.34 1.04 -1.26 -4.88 113.70 106.92 2nyi s SER 103 Ca 0.64 -0.25 0.15 0.00 0.48 0.00 0.00 55.95 56.97 2nyi s SER 103 Cb -0.27 0.55 1.12 0.00 0.10 0.00 0.00 66.02 67.52 2nyi s SER 103 CO 0.33 -0.95 2.06 -0.08 0.98 0.00 0.00 173.24 175.58 2nyi h GLU 104 N 2.19 0.24 -0.01 4.02 4.81 -2.03 -3.29 114.58 120.52 2nyi h GLU 104 Ca -0.33 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 2nyi h GLU 104 Cb 1.28 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.60 2nyi h GLU 104 CO 0.41 0.16 -0.58 0.41 -0.73 0.00 0.00 179.01 178.68 2nyi n GLY 105 N -1.53 -0.20 0.36 1.92 0.00 -1.26 -4.67 105.19 99.80 2nyi n GLY 105 Ca 0.04 -0.61 -0.16 0.00 0.00 0.00 0.00 46.02 45.29 2nyi n GLY 105 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2nyi h ILE 106 N 1.79 0.32 -0.12 -0.61 2.04 -1.97 -0.16 117.51 118.80 2nyi h ILE 106 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 2nyi h ILE 106 Cb 0.67 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 2nyi h ILE 106 CO 0.00 0.00 -0.09 0.58 0.00 0.00 0.00 178.15 178.64 2nyi h VAL 107 N -0.73 0.74 -0.72 1.67 2.07 -1.85 0.29 116.25 117.72 2nyi h VAL 107 Ca -0.04 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.53 2nyi h VAL 107 Cb 0.64 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 2nyi h VAL 107 CO -0.02 0.00 0.43 -0.08 0.02 0.00 0.00 177.57 177.93 2nyi h GLU 108 N -0.09 0.78 -0.40 1.57 4.22 -1.83 -1.41 114.58 117.42 2nyi h GLU 108 Ca 0.08 -0.05 -0.03 0.00 0.08 0.00 0.00 59.36 59.44 2nyi h GLU 108 Cb 0.21 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2nyi h GLU 108 CO -0.18 0.52 0.14 0.00 -2.18 0.00 0.00 179.01 177.31 2nyi h ALA 109 N 1.34 0.53 0.07 2.92 0.00 -0.10 0.61 119.26 124.63 2nyi h ALA 109 Ca 0.31 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2nyi h ALA 109 Cb 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2nyi h ALA 109 CO -0.16 0.16 -0.03 0.28 0.00 0.00 0.00 179.25 179.50 2nyi h VAL 110 N 0.51 1.16 0.00 0.00 2.07 -0.82 -3.02 116.25 116.15 2nyi h VAL 110 Ca 0.13 -0.82 -0.04 0.00 0.82 0.00 0.00 66.70 66.79 2nyi h VAL 110 Cb 0.24 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 2nyi h VAL 110 CO -0.01 0.20 -0.20 0.71 0.02 0.00 0.00 177.57 178.29 2nyi h THR 111 N -0.46 0.89 -0.55 2.57 1.35 -1.26 -2.48 112.91 112.97 2nyi h THR 111 Ca -0.01 -0.77 -0.02 0.00 -0.55 0.00 0.00 66.41 65.06 2nyi h THR 111 Cb 0.40 1.45 -0.03 0.00 -1.73 0.00 0.00 68.15 68.24 2nyi h THR 111 CO 0.02 0.20 0.28 0.00 -0.25 0.00 0.00 175.52 175.77 2nyi h ALA 112 N 1.80 0.71 -0.26 6.62 0.00 -0.81 -0.25 119.26 127.06 2nyi h ALA 112 Ca -0.00 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.84 2nyi h ALA 112 Cb 0.43 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2nyi h ALA 112 CO 0.03 0.25 0.00 0.28 0.00 0.00 0.00 179.25 179.81 2nyi h VAL 113 N 0.74 0.81 -0.02 0.00 2.07 -1.33 -0.45 116.25 118.08 2nyi h VAL 113 Ca 0.19 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.68 2nyi h VAL 113 Cb 0.08 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 2nyi h VAL 113 CO -0.03 0.01 0.00 -0.07 0.02 0.00 0.00 177.57 177.51 2nyi h LEU 114 N 0.08 0.02 -0.44 2.57 3.38 -1.20 -1.98 115.31 117.75 2nyi h LEU 114 Ca 0.12 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 57.95 2nyi h LEU 114 Cb 0.16 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 2nyi h LEU 114 CO -0.21 0.22 0.13 0.00 0.09 0.00 0.00 178.44 178.68 2nyi h ALA 115 N 0.80 0.51 -0.69 1.53 0.00 -1.00 0.07 119.26 120.49 2nyi h ALA 115 Ca 0.01 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2nyi h ALA 115 Cb 0.21 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2nyi h ALA 115 CO -0.00 -0.26 0.38 0.87 0.00 0.00 0.00 179.25 180.24 2nyi h LYS 116 N 0.29 0.94 -0.19 0.00 1.57 -0.88 -1.91 116.57 116.38 2nyi h LYS 116 Ca 0.21 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2nyi h LYS 116 Cb 0.22 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2nyi h LYS 116 CO -0.23 0.69 0.00 1.63 -0.57 0.00 0.00 179.45 180.97 2nyi n LYS 117 N -4.37 1.64 -1.58 3.15 4.76 -0.76 -4.93 118.16 116.07 2nyi n LYS 117 Ca 0.07 -0.98 -0.11 0.00 -2.87 0.00 0.00 58.31 54.43 2nyi n LYS 117 Cb 0.10 -1.33 -0.03 0.00 -1.84 0.00 0.00 35.03 31.92 2nyi n LYS 117 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2nyi n GLY 118 N 1.05 0.80 3.74 0.72 0.00 -0.72 -4.93 105.19 105.85 2nyi n GLY 118 Ca 0.14 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 2nyi n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nyi s ALA 119 N -2.43 3.37 -0.08 4.61 0.00 -0.04 -4.85 121.76 122.34 2nyi s ALA 119 Ca 0.00 0.82 -0.09 0.00 0.00 0.00 0.00 51.96 52.69 2nyi s ALA 119 Cb 0.00 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 2nyi s ALA 119 CO 0.00 -0.21 0.21 1.21 0.00 0.00 0.00 175.76 176.97 2nyi s ASN 120 N -0.12 6.50 -0.22 0.00 2.47 -0.04 -4.44 114.94 119.09 2nyi s ASN 120 Ca 0.49 0.60 -0.17 0.00 0.42 0.00 0.00 52.86 54.19 2nyi s ASN 120 Cb -0.29 -2.11 -0.03 0.00 -1.45 0.00 0.00 41.25 37.36 2nyi s ASN 120 CO 0.35 0.38 0.48 -0.63 -3.72 0.00 0.00 177.10 173.96 2nyi s ILE 121 N -1.06 5.12 -0.20 -5.21 1.01 -1.26 -0.48 121.20 119.13 2nyi s ILE 121 Ca 0.18 0.85 0.03 0.00 0.00 0.00 0.00 60.65 61.71 2nyi s ILE 121 Cb -0.13 -3.80 -0.21 0.00 0.01 0.00 0.00 42.46 38.33 2nyi s ILE 121 CO 0.07 0.17 0.05 0.52 0.00 0.00 0.00 174.94 175.75 2nyi n VAL 122 N 4.68 1.56 -3.90 2.92 0.31 0.14 -4.98 118.33 119.06 2nyi n VAL 122 Ca -0.06 -0.66 -0.11 0.00 -0.01 0.00 0.00 64.34 63.50 2nyi n VAL 122 Cb 0.50 -1.30 -0.11 0.00 -0.91 0.00 0.00 33.84 32.02 2nyi n VAL 122 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2nyi s GLU 123 N -2.53 0.31 -0.22 5.55 2.02 -0.96 -4.95 118.70 117.92 2nyi s GLU 123 Ca -0.25 -0.31 -0.14 0.00 0.02 0.00 0.00 54.97 54.29 2nyi s GLU 123 Cb 0.08 0.13 0.06 0.00 0.10 0.00 0.00 34.13 34.50 2nyi s GLU 123 CO 0.70 -0.06 0.55 -1.17 0.02 0.00 0.00 175.26 175.30 2nyi s LEU 124 N -0.98 -0.40 0.00 1.80 2.96 -1.26 -1.32 118.68 119.49 2nyi s LEU 124 Ca -0.11 1.17 0.00 0.00 -0.22 0.00 0.00 54.13 54.98 2nyi s LEU 124 Cb -0.06 1.86 -0.00 0.00 0.50 0.00 0.00 46.19 48.49 2nyi s LEU 124 CO 0.00 -0.21 -0.01 -1.83 -1.32 0.00 0.00 176.35 172.98 2nyi s GLU 125 N 1.18 0.09 0.12 1.98 -1.05 -0.07 -5.01 118.70 115.94 2nyi s GLU 125 Ca -0.07 -0.09 0.07 0.00 -0.15 0.00 0.00 54.97 54.73 2nyi s GLU 125 Cb -0.06 -0.05 -0.04 0.00 -0.44 0.00 0.00 34.13 33.54 2nyi s GLU 125 CO -0.12 0.01 -0.16 0.95 0.95 0.00 0.00 175.26 176.89 2nyi s THR 126 N -0.16 1.47 0.05 1.83 -4.23 -1.26 -0.80 115.64 112.53 2nyi s THR 126 Ca -0.01 -1.66 -0.08 0.00 -1.18 0.00 0.00 61.69 58.76 2nyi s THR 126 Cb -0.01 -1.53 -0.00 0.00 1.34 0.00 0.00 72.50 72.30 2nyi s THR 126 CO -0.00 -0.30 0.15 -1.83 -0.54 0.00 0.00 174.62 172.10 2nyi s GLU 127 N -2.40 0.68 -0.02 3.99 -1.05 -0.33 -5.01 118.70 114.56 2nyi s GLU 127 Ca 0.08 -0.75 0.06 0.00 -0.15 0.00 0.00 54.97 54.21 2nyi s GLU 127 Cb -0.07 0.27 -0.01 0.00 -0.44 0.00 0.00 34.13 33.88 2nyi s GLU 127 CO 0.04 -0.19 -0.19 0.95 0.95 0.00 0.00 175.26 176.82 2nyi s THR 128 N -2.84 1.53 -0.29 1.83 -4.23 -1.26 -1.18 115.64 109.21 2nyi s THR 128 Ca -0.03 -0.83 -0.01 0.00 -1.18 0.00 0.00 61.69 59.65 2nyi s THR 128 Cb 0.00 -1.28 0.09 0.00 1.34 0.00 0.00 72.50 72.66 2nyi s THR 128 CO -0.05 0.43 0.07 -0.76 -0.54 0.00 0.00 174.62 173.77 2nyi s LEU 129 N -0.42 2.17 0.36 4.79 1.43 0.54 -4.95 118.68 122.59 2nyi s LEU 129 Ca 0.07 -1.49 -0.28 0.00 -1.03 0.00 0.00 54.13 51.40 2nyi s LEU 129 Cb -0.08 -0.87 -0.11 0.00 0.03 0.00 0.00 46.19 45.17 2nyi s LEU 129 CO -0.01 -0.38 1.43 -2.84 0.23 0.00 0.00 176.35 174.78 2nyi s PRO 130 N 1.62 4.19 0.92 1.29 0.02 -1.26 -0.74 135.00 141.05 2nyi s PRO 130 Ca 0.07 2.45 -0.11 0.00 0.02 0.00 0.00 61.00 63.43 2nyi s PRO 130 Cb -0.17 -3.01 0.15 0.00 0.02 0.00 0.00 34.50 31.49 2nyi s PRO 130 CO -0.21 -0.42 1.10 0.00 -0.33 0.00 0.00 177.00 177.15 2nyi s ALA 131 N -1.09 1.31 0.55 -1.55 0.00 0.05 -4.88 121.76 116.15 2nyi s ALA 131 Ca 0.52 0.28 0.37 0.00 0.00 0.00 0.00 51.96 53.13 2nyi s ALA 131 Cb -0.44 -3.33 2.03 0.00 0.00 0.00 0.00 23.12 21.38 2nyi s ALA 131 CO 0.59 -2.67 2.26 -1.35 0.00 0.00 0.00 175.76 174.59 2nyi h PRO 132 N -1.79 0.00 -6.07 0.00 0.11 -1.94 -3.44 132.00 118.87 2nyi h PRO 132 Ca -0.48 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.09 2nyi h PRO 132 Cb 1.27 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.31 2nyi h PRO 132 CO 0.47 0.02 -0.52 -0.59 -0.21 0.00 0.00 178.00 177.17 2nyi s PHE 133 N -4.22 2.69 0.54 0.65 -0.12 -1.26 -5.12 117.98 111.15 2nyi s PHE 133 Ca -0.04 -0.42 -0.20 0.00 -0.05 0.00 0.00 56.93 56.22 2nyi s PHE 133 Cb 0.13 -1.72 -0.06 0.00 -0.63 0.00 0.00 43.02 40.75 2nyi s PHE 133 CO 0.48 0.29 1.14 0.00 -0.05 0.00 0.00 175.22 177.08 2nyi s ALA 134 N -2.46 2.70 0.00 1.99 0.00 -1.26 -4.25 121.76 118.48 2nyi s ALA 134 Ca 0.39 0.85 0.00 0.00 0.00 0.00 0.00 51.96 53.20 2nyi s ALA 134 Cb -0.02 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.74 2nyi s ALA 134 CO 0.23 -0.80 0.00 0.41 0.00 0.00 0.00 175.76 175.60 2nyi n GLY 135 N 0.20 0.68 3.11 0.00 0.00 -1.26 -5.04 105.19 102.88 2nyi n GLY 135 Ca 0.12 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 2nyi n GLY 135 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2nyi s PHE 136 N -2.00 -0.43 -0.08 1.61 5.36 -1.26 -5.11 117.98 116.08 2nyi s PHE 136 Ca 0.00 0.96 0.01 0.00 -0.96 0.00 0.00 56.93 56.94 2nyi s PHE 136 Cb 0.00 0.10 0.02 0.00 -0.34 0.00 0.00 43.02 42.80 2nyi s PHE 136 CO 0.00 -0.29 -0.08 0.99 -1.46 0.00 0.00 175.22 174.38 2nyi s THR 137 N 1.52 0.93 0.12 0.12 2.01 -1.26 -0.77 115.64 118.30 2nyi s THR 137 Ca -0.08 -0.30 -0.24 0.00 0.31 0.00 0.00 61.69 61.38 2nyi s THR 137 Cb -0.10 -0.91 -0.07 0.00 0.01 0.00 0.00 72.50 71.43 2nyi s THR 137 CO -0.10 0.33 0.75 -0.22 -0.69 0.00 0.00 174.62 174.69 2nyi s LEU 138 N 1.16 4.55 -0.11 4.42 2.96 0.08 0.11 118.68 131.86 2nyi s LEU 138 Ca -0.06 1.55 0.00 0.00 -0.22 0.00 0.00 54.13 55.40 2nyi s LEU 138 Cb -0.14 -3.23 -0.02 0.00 0.50 0.00 0.00 46.19 43.30 2nyi s LEU 138 CO -0.02 0.17 -0.11 0.12 -1.32 0.00 0.00 176.35 175.19 2nyi s PHE 139 N -0.86 2.83 0.32 5.38 5.36 0.20 -0.34 117.98 130.86 2nyi s PHE 139 Ca 0.36 -0.41 0.03 0.00 -0.96 0.00 0.00 56.93 55.94 2nyi s PHE 139 Cb -0.22 -1.80 -0.01 0.00 -0.34 0.00 0.00 43.02 40.65 2nyi s PHE 139 CO 0.24 -0.04 0.11 0.54 -1.46 0.00 0.00 175.22 174.62 2nyi n ARG 140 N 3.11 0.68 -3.65 10.12 1.74 -0.32 -2.13 116.66 126.21 2nyi n ARG 140 Ca -0.18 -2.65 -0.01 0.00 -0.77 0.00 0.00 57.85 54.25 2nyi n ARG 140 Cb 0.53 1.42 -0.07 0.00 -1.02 0.00 0.00 32.46 33.32 2nyi n ARG 140 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2nyi s GLY 142 N -2.93 0.43 0.01 -0.13 0.00 0.02 -1.19 107.32 103.53 2nyi s GLY 142 Ca 0.15 3.60 -0.15 0.00 0.00 0.00 0.00 44.72 48.32 2nyi s GLY 142 CO 0.11 2.41 0.33 -0.45 0.00 0.00 0.00 173.10 175.49 2nyi s SER 143 N 0.66 -0.20 -0.16 1.64 0.15 0.23 -0.89 113.70 115.13 2nyi s SER 143 Ca -0.02 0.02 -0.01 0.00 0.70 0.00 0.00 55.95 56.64 2nyi s SER 143 Cb -0.04 0.34 -0.01 0.00 -1.71 0.00 0.00 66.02 64.61 2nyi s SER 143 CO -0.12 -0.52 -0.10 -0.60 1.20 0.00 0.00 173.24 173.10 2nyi s ARG 144 N -1.77 3.38 0.18 5.44 3.52 -0.43 -0.25 118.95 129.02 2nyi s ARG 144 Ca -0.10 -0.67 0.08 0.00 -0.13 0.00 0.00 55.73 54.91 2nyi s ARG 144 Cb -0.03 -2.76 -0.04 0.00 -1.56 0.00 0.00 34.95 30.55 2nyi s ARG 144 CO 0.02 0.06 -0.15 0.14 -0.81 0.00 0.00 175.30 174.56 2nyi s VAL 145 N 0.77 1.68 -0.04 7.11 -7.23 -0.17 0.25 120.40 122.77 2nyi s VAL 145 Ca -0.04 -2.08 0.02 0.00 -1.81 0.00 0.00 61.98 58.06 2nyi s VAL 145 Cb -0.15 -1.93 0.01 0.00 0.56 0.00 0.00 36.38 34.87 2nyi s VAL 145 CO 0.01 -0.52 -0.07 0.00 -0.31 0.00 0.00 175.10 174.21 2nyi s ALA 146 N -2.69 0.78 0.17 1.32 0.00 0.37 -0.63 121.76 121.07 2nyi s ALA 146 Ca 0.19 -0.20 -0.23 0.00 0.00 0.00 0.00 51.96 51.72 2nyi s ALA 146 Cb -0.02 -0.37 0.07 0.00 0.00 0.00 0.00 23.12 22.79 2nyi s ALA 146 CO 0.06 0.07 0.63 -0.59 0.00 0.00 0.00 175.76 175.93 2nyi s PHE 147 N 0.54 -0.48 0.15 0.00 -0.12 -0.74 -0.86 117.98 116.46 2nyi s PHE 147 Ca -0.08 0.24 -0.32 0.00 -0.05 0.00 0.00 56.93 56.72 2nyi s PHE 147 Cb -0.12 0.58 -0.12 0.00 -0.63 0.00 0.00 43.02 42.73 2nyi s PHE 147 CO 0.01 -0.88 1.74 -2.30 -0.05 0.00 0.00 175.22 173.74 2nyi n PRO 148 N -0.38 2.60 -0.05 1.99 -0.02 -1.26 -1.33 135.00 136.54 2nyi n PRO 148 Ca -0.15 0.94 0.18 0.00 -2.02 0.00 0.00 63.50 62.45 2nyi n PRO 148 Cb 0.64 -2.79 0.62 0.00 -0.02 0.00 0.00 33.50 31.95 2nyi n PRO 148 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2nyi h PHE 149 N 7.38 0.18 0.00 6.00 -5.15 -1.52 -1.07 116.94 122.76 2nyi h PHE 149 Ca -0.45 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.32 2nyi h PHE 149 Cb 1.23 -0.06 0.00 0.00 0.22 0.00 0.00 35.95 37.34 2nyi h PHE 149 CO 0.71 0.07 0.01 -1.35 -2.00 0.00 0.00 178.31 175.75 2nyi h PRO 150 N 0.16 0.00 -0.00 6.09 0.11 -1.90 -1.63 132.00 134.83 2nyi h PRO 150 Ca 0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.39 2nyi h PRO 150 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2nyi h PRO 150 CO -0.04 0.00 -0.03 1.28 -0.21 0.00 0.00 178.00 179.00 2nyi n LEU 151 N -3.06 0.21 -0.02 2.35 4.77 -0.40 -4.42 117.00 116.42 2nyi n LEU 151 Ca -0.03 0.09 -0.09 0.00 -0.03 0.00 0.00 56.01 55.94 2nyi n LEU 151 Cb 0.08 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 2nyi n LEU 151 CO 0.20 0.04 0.68 0.22 -1.33 0.00 0.00 177.39 177.19 2nyi h TYR 152 N 0.27 -0.74 -0.64 -1.77 3.20 -1.46 -0.80 116.97 115.04 2nyi h TYR 152 Ca 0.00 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 2nyi h TYR 152 Cb 0.23 0.35 -0.03 0.00 1.54 0.00 0.00 36.73 38.83 2nyi h TYR 152 CO 0.00 -0.35 0.34 0.37 -1.64 0.00 0.00 178.16 176.88 2nyi h GLN 153 N -0.32 0.90 -0.05 1.82 5.75 -1.83 -0.38 115.11 120.99 2nyi h GLN 153 Ca 0.11 -0.11 -0.10 0.00 -0.15 0.00 0.00 58.65 58.40 2nyi h GLN 153 Cb 0.49 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 2nyi h GLN 153 CO -0.36 0.69 -0.44 1.05 -2.65 0.00 0.00 178.83 177.12 2nyi h GLU 154 N 0.87 0.12 -0.05 1.69 4.11 -1.75 0.54 114.58 120.10 2nyi h GLU 154 Ca 0.22 -0.06 -0.00 0.00 0.07 0.00 0.00 59.36 59.59 2nyi h GLU 154 Cb 0.06 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 2nyi h GLU 154 CO -0.03 0.55 0.03 0.28 0.07 0.00 0.00 179.01 179.90 2nyi h VAL 155 N 0.10 1.07 -0.63 -1.06 2.07 -0.63 -1.31 116.25 115.86 2nyi h VAL 155 Ca 0.01 -0.19 0.04 0.00 0.82 0.00 0.00 66.70 67.37 2nyi h VAL 155 Cb 0.83 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 2nyi h VAL 155 CO 0.06 0.06 0.37 0.58 0.02 0.00 0.00 177.57 178.66 2nyi h VAL 156 N 0.01 1.03 -0.46 2.57 2.07 -0.69 0.17 116.25 120.94 2nyi h VAL 156 Ca 0.02 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 2nyi h VAL 156 Cb 0.07 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 2nyi h VAL 156 CO -0.00 0.13 0.17 0.74 0.02 0.00 0.00 177.57 178.62 2nyi h THR 157 N 0.71 1.21 -0.71 2.57 2.02 -0.84 -0.89 112.91 116.98 2nyi h THR 157 Ca 0.26 -0.68 -0.04 0.00 0.77 0.00 0.00 66.41 66.72 2nyi h THR 157 Cb 0.09 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 2nyi h THR 157 CO -0.13 0.25 0.27 0.00 0.37 0.00 0.00 175.52 176.28 2nyi h ALA 158 N 1.02 1.14 0.00 6.16 0.00 -0.69 -2.65 119.26 124.24 2nyi h ALA 158 Ca 0.15 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2nyi h ALA 158 Cb 0.22 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2nyi h ALA 158 CO -0.01 0.62 -0.30 -0.07 0.00 0.00 0.00 179.25 179.49 2nyi h LEU 159 N 1.04 0.00 -0.75 0.00 3.38 -0.35 -2.78 115.31 115.84 2nyi h LEU 159 Ca 0.24 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.10 2nyi h LEU 159 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2nyi h LEU 159 CO -0.02 0.30 -0.22 0.77 0.09 0.00 0.00 178.44 179.36 2nyi h SER 160 N 0.00 0.72 -0.61 -0.43 4.64 -0.81 -1.19 113.55 115.87 2nyi h SER 160 Ca -0.00 -0.25 0.02 0.00 -0.47 0.00 0.00 61.79 61.09 2nyi h SER 160 Cb 0.70 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 62.56 2nyi h SER 160 CO 0.04 0.92 0.38 0.03 -0.87 0.00 0.00 176.83 177.33 2nyi h ARG 161 N 0.62 0.73 -0.44 4.77 3.08 -1.35 -1.71 114.38 120.09 2nyi h ARG 161 Ca 0.09 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.10 2nyi h ARG 161 Cb 0.71 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 2nyi h ARG 161 CO 0.05 0.48 0.28 0.28 -1.07 0.00 0.00 179.97 180.00 2nyi h VAL 162 N 0.75 1.10 -0.62 2.04 2.07 -1.36 0.70 116.25 120.92 2nyi h VAL 162 Ca 0.24 -0.20 0.11 0.00 0.82 0.00 0.00 66.70 67.68 2nyi h VAL 162 Cb 0.00 0.47 -0.09 0.00 -1.52 0.00 0.00 31.29 30.16 2nyi h VAL 162 CO -0.09 0.10 0.15 -0.33 0.02 0.00 0.00 177.57 177.42 2nyi h GLU 163 N 0.57 0.27 -0.06 1.57 5.08 -0.84 -0.08 114.58 121.11 2nyi h GLU 163 Ca 0.16 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 2nyi h GLU 163 Cb -0.05 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 2nyi h GLU 163 CO -0.05 0.18 -0.07 0.93 -1.00 0.00 0.00 179.01 179.01 2nyi h GLU 164 N 0.28 0.15 -0.32 2.33 4.39 -0.85 0.76 114.58 121.32 2nyi h GLU 164 Ca 0.32 -0.08 -0.09 0.00 0.34 0.00 0.00 59.36 59.85 2nyi h GLU 164 Cb 0.48 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 2nyi h GLU 164 CO -0.40 0.61 -0.19 1.49 -1.16 0.00 0.00 179.01 179.36 2nyi h GLU 165 N -0.30 0.59 -0.01 2.33 4.81 -0.67 -3.29 114.58 118.04 2nyi h GLU 165 Ca 0.01 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 2nyi h GLU 165 Cb 0.59 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.92 2nyi h GLU 165 CO 0.02 0.75 -0.29 1.19 -0.73 0.00 0.00 179.01 179.94 2nyi n PHE 166 N -4.14 0.00 -2.96 0.92 3.72 -0.06 -5.01 117.46 109.93 2nyi n PHE 166 Ca 0.00 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.23 2nyi n PHE 166 Cb 0.38 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.96 2nyi n PHE 166 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2nyi n GLY 167 N 1.04 -0.22 3.77 1.37 0.00 0.22 -4.77 105.19 106.60 2nyi n GLY 167 Ca 0.05 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2nyi n GLY 167 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2nyi s VAL 168 N -3.08 4.19 -0.19 1.61 -7.23 -0.99 -4.34 120.40 110.38 2nyi s VAL 168 Ca 0.28 -1.42 -0.08 0.00 -1.81 0.00 0.00 61.98 58.95 2nyi s VAL 168 Cb -0.12 -3.21 -0.04 0.00 0.56 0.00 0.00 36.38 33.56 2nyi s VAL 168 CO 0.35 -0.27 0.08 -1.81 -0.31 0.00 0.00 175.10 173.15 2nyi s ASP 169 N -3.52 5.80 -0.07 4.85 1.01 0.51 -4.50 116.67 120.74 2nyi s ASP 169 Ca 0.31 0.12 0.04 0.00 0.71 0.00 0.00 52.55 53.73 2nyi s ASP 169 Cb -0.08 -2.00 0.00 0.00 1.01 0.00 0.00 42.92 41.85 2nyi s ASP 169 CO 0.23 0.17 -0.18 -0.63 0.21 0.00 0.00 175.17 174.96 2nyi s ILE 170 N 0.41 1.59 -0.02 0.77 1.01 -1.26 -0.99 121.20 122.71 2nyi s ILE 170 Ca 0.05 -0.77 0.07 0.00 0.00 0.00 0.00 60.65 60.00 2nyi s ILE 170 Cb -0.12 -1.38 -0.02 0.00 0.01 0.00 0.00 42.46 40.95 2nyi s ILE 170 CO -0.00 0.45 -0.24 -1.81 0.00 0.00 0.00 174.94 173.35 2nyi s ASP 171 N 0.30 2.78 -0.15 3.58 1.01 -0.03 -4.98 116.67 119.18 2nyi s ASP 171 Ca -0.12 -0.43 -0.02 0.00 0.71 0.00 0.00 52.55 52.69 2nyi s ASP 171 Cb -0.15 -0.33 0.05 0.00 1.01 0.00 0.00 42.92 43.50 2nyi s ASP 171 CO 0.05 0.29 0.02 -0.22 0.21 0.00 0.00 175.17 175.52 2nyi s LEU 172 N -0.54 0.94 -0.09 1.23 2.96 -1.26 -1.04 118.68 120.88 2nyi s LEU 172 Ca 0.09 -0.54 0.01 0.00 -0.22 0.00 0.00 54.13 53.47 2nyi s LEU 172 Cb -0.09 -0.54 0.02 0.00 0.50 0.00 0.00 46.19 46.08 2nyi s LEU 172 CO -0.01 -0.26 -0.12 -1.61 -1.32 0.00 0.00 176.35 173.03 2nyi s GLU 173 N 1.90 1.80 0.33 1.98 0.41 -0.23 -4.96 118.70 119.94 2nyi s GLU 173 Ca 0.01 -0.41 -0.29 0.00 -0.41 0.00 0.00 54.97 53.88 2nyi s GLU 173 Cb -0.15 -1.60 -0.11 0.00 -1.78 0.00 0.00 34.13 30.48 2nyi s GLU 173 CO -0.07 -0.09 1.49 -2.00 -0.49 0.00 0.00 175.26 174.10 2nyi s GLU 174 N 1.09 4.16 0.09 1.61 2.12 -1.26 -0.22 118.70 126.29 2nyi s GLU 174 Ca -0.06 2.50 -0.30 0.00 0.36 0.00 0.00 54.97 57.47 2nyi s GLU 174 Cb -0.14 -3.01 -0.05 0.00 0.26 0.00 0.00 34.13 31.18 2nyi s GLU 174 CO -0.02 -0.51 0.96 0.08 -0.54 0.00 0.00 175.26 175.23 2nyi s VAL 175 N -0.66 4.57 -0.71 3.70 1.01 0.99 -4.83 120.40 124.46 2nyi s VAL 175 Ca 0.56 2.05 0.06 0.00 0.00 0.00 0.00 61.98 64.65 2nyi s VAL 175 Cb -0.45 -4.32 0.05 0.00 0.00 0.00 0.00 36.38 31.65 2nyi s VAL 175 CO 0.55 0.29 0.68 0.52 0.00 0.00 0.00 175.10 177.14