#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wvf s ILE 10 N 0.00 2.07 0.27 0.44 1.01 -1.26 -5.12 121.20 118.61 2wvf s ILE 10 Ca 0.00 -0.96 0.11 0.00 0.00 0.00 0.00 60.65 59.79 2wvf s ILE 10 Cb 0.00 -1.84 -0.05 0.00 0.01 0.00 0.00 42.46 40.58 2wvf s ILE 10 CO 0.00 0.55 -0.08 -0.63 0.00 0.00 0.00 174.94 174.77 2wvf s ILE 11 N 1.00 3.06 -0.06 2.92 -1.09 -1.26 -5.14 121.20 120.63 2wvf s ILE 11 Ca -0.02 -2.10 0.03 0.00 -2.23 0.00 0.00 60.65 56.32 2wvf s ILE 11 Cb -0.15 -2.63 -0.02 0.00 -1.58 0.00 0.00 42.46 38.09 2wvf s ILE 11 CO -0.06 -0.38 -0.15 -0.13 -1.23 0.00 0.00 174.94 172.99 2wvf s ARG 12 N -3.59 2.66 0.08 2.79 0.52 -1.26 -5.13 118.95 115.02 2wvf s ARG 12 Ca 0.31 -0.72 0.04 0.00 -0.52 0.00 0.00 55.73 54.84 2wvf s ARG 12 Cb -0.06 -2.40 -0.03 0.00 0.52 0.00 0.00 34.95 32.98 2wvf s ARG 12 CO 0.18 0.52 -0.12 -0.59 0.02 0.00 0.00 175.30 175.32 2wvf s PHE 13 N -0.48 1.09 0.06 -0.53 -0.12 -1.26 -5.15 117.98 111.60 2wvf s PHE 13 Ca 0.06 -0.54 -0.16 0.00 -0.05 0.00 0.00 56.93 56.24 2wvf s PHE 13 Cb -0.12 -0.61 -0.06 0.00 -0.63 0.00 0.00 43.02 41.60 2wvf s PHE 13 CO 0.02 0.02 0.50 0.45 -0.05 0.00 0.00 175.22 176.15 2wvf s SER 14 N -2.00 6.90 -0.05 1.98 0.15 -1.26 -5.08 113.70 114.33 2wvf s SER 14 Ca -0.00 1.09 0.05 0.00 0.70 0.00 0.00 55.95 57.79 2wvf s SER 14 Cb -0.07 -2.29 -0.01 0.00 -1.71 0.00 0.00 66.02 61.94 2wvf s SER 14 CO 0.01 0.25 -0.21 -0.69 1.20 0.00 0.00 173.24 173.80 2wvf s VAL 15 N -1.19 1.76 -0.36 4.45 1.01 -1.26 -5.11 120.40 119.70 2wvf s VAL 15 Ca 0.29 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 61.31 2wvf s VAL 15 Cb -0.17 -1.50 0.06 0.00 0.00 0.00 0.00 36.38 34.77 2wvf s VAL 15 CO 0.17 0.50 0.14 -0.44 0.00 0.00 0.00 175.10 175.46 2wvf s SER 16 N -0.06 5.33 -0.06 3.32 0.01 -1.26 -5.08 113.70 115.90 2wvf s SER 16 Ca -0.04 -1.34 0.03 0.00 1.31 0.00 0.00 55.95 55.91 2wvf s SER 16 Cb -0.13 -1.87 -0.03 0.00 0.21 0.00 0.00 66.02 64.20 2wvf s SER 16 CO 0.03 -0.39 -0.13 -0.76 0.41 0.00 0.00 173.24 172.40 2wvf s LEU 17 N 1.36 2.79 0.58 2.44 1.43 -1.26 -5.11 118.68 120.92 2wvf s LEU 17 Ca 0.00 -0.18 -0.21 0.00 -1.03 0.00 0.00 54.13 52.71 2wvf s LEU 17 Cb -0.21 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 2wvf s LEU 17 CO 0.01 0.33 1.34 -1.10 0.23 0.00 0.00 176.35 177.17 2wvf s GLN 18 N -0.63 2.95 0.28 1.70 1.11 -1.26 -4.79 119.66 119.01 2wvf s GLN 18 Ca 0.09 2.19 0.01 0.00 0.01 0.00 0.00 55.36 57.67 2wvf s GLN 18 Cb -0.11 -2.13 0.56 0.00 -1.01 0.00 0.00 33.01 30.32 2wvf s GLN 18 CO 0.01 -1.33 1.81 0.37 0.01 0.00 0.00 175.29 176.16 2wvf h GLN 19 N 1.17 0.84 -0.64 2.91 5.75 -1.99 -1.50 115.11 121.65 2wvf h GLN 19 Ca -0.51 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 57.91 2wvf h GLN 19 Cb 1.31 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 29.64 2wvf h GLN 19 CO 0.56 0.56 0.28 -2.95 -2.65 0.00 0.00 178.83 174.62 2wvf h ASN 20 N 0.87 0.84 -0.26 -0.69 -1.07 -2.00 0.08 115.58 113.35 2wvf h ASN 20 Ca 0.49 -0.10 -0.18 0.00 0.07 0.00 0.00 56.30 56.58 2wvf h ASN 20 Cb 0.57 -0.22 -0.00 0.00 -2.07 0.00 0.00 38.32 36.60 2wvf h ASN 20 CO -0.30 0.74 -0.52 -0.07 0.07 0.00 0.00 177.43 177.35 2wvf h LEU 21 N 0.92 0.93 -0.60 6.14 3.38 -1.67 -2.49 115.31 121.92 2wvf h LEU 21 Ca 0.22 -0.49 -0.09 0.00 0.09 0.00 0.00 57.88 57.61 2wvf h LEU 21 Cb 0.15 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2wvf h LEU 21 CO -0.02 1.27 0.03 0.25 0.09 0.00 0.00 178.44 180.06 2wvf h LEU 22 N 0.65 1.02 -0.70 1.67 5.85 -0.93 -0.11 115.31 122.77 2wvf h LEU 22 Ca 0.02 -0.29 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 2wvf h LEU 22 Cb 1.12 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.84 2wvf h LEU 22 CO 0.11 1.06 0.29 0.44 -0.34 0.00 0.00 178.44 180.01 2wvf h ASP 23 N 0.95 0.96 -0.41 1.25 3.32 -0.97 -0.44 116.42 121.08 2wvf h ASP 23 Ca 0.17 -0.17 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 2wvf h ASP 23 Cb 0.52 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 2wvf h ASP 23 CO 0.03 0.87 -0.07 -0.08 -1.72 0.00 0.00 179.24 178.26 2wvf h GLU 24 N 1.00 0.85 -0.23 3.56 4.57 -1.20 -1.14 114.58 121.99 2wvf h GLU 24 Ca 0.23 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2wvf h GLU 24 Cb 0.20 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 2wvf h GLU 24 CO -0.02 0.90 0.15 1.25 -1.18 0.00 0.00 179.01 180.11 2wvf h LEU 25 N 0.78 0.25 -0.84 1.64 5.85 -0.54 -0.21 115.31 122.24 2wvf h LEU 25 Ca 0.13 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.88 2wvf h LEU 25 Cb 0.57 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 2wvf h LEU 25 CO 0.03 0.18 0.54 0.44 -0.34 0.00 0.00 178.44 179.30 2wvf h ASP 26 N 0.30 0.90 -0.50 1.25 3.32 -0.87 -0.39 116.42 120.43 2wvf h ASP 26 Ca 0.09 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 2wvf h ASP 26 Cb -0.03 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 2wvf h ASP 26 CO -0.03 0.62 0.11 0.78 -1.72 0.00 0.00 179.24 179.00 2wvf h ASN 27 N 1.05 0.81 0.10 6.45 -0.26 -0.78 -2.53 115.58 120.43 2wvf h ASN 27 Ca 0.33 -0.16 -0.16 0.00 -0.56 0.00 0.00 56.30 55.75 2wvf h ASN 27 Cb -0.01 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.03 2wvf h ASN 27 CO -0.11 0.81 -0.56 -0.09 -1.06 0.00 0.00 177.43 176.42 2wvf h ARG 28 N 0.83 0.49 -0.23 0.81 9.65 -0.38 -0.22 114.38 125.32 2wvf h ARG 28 Ca 0.18 -0.31 0.03 0.00 -1.10 0.00 0.00 59.98 58.77 2wvf h ARG 28 Cb 0.34 0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.93 2wvf h ARG 28 CO 0.00 0.92 0.07 0.82 2.80 0.00 0.00 179.97 184.58 2wvf h ILE 29 N 0.37 0.92 -0.20 1.20 2.04 -0.89 -0.56 117.51 120.38 2wvf h ILE 29 Ca 0.00 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 2wvf h ILE 29 Cb 1.09 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 2wvf h ILE 29 CO 0.10 0.03 -0.01 0.40 0.00 0.00 0.00 178.15 178.67 2wvf h ILE 30 N 0.17 1.26 -0.45 -0.67 2.04 -1.28 -0.35 117.51 118.23 2wvf h ILE 30 Ca 0.10 -0.91 -0.03 0.00 1.00 0.00 0.00 64.86 65.03 2wvf h ILE 30 Cb 0.09 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 2wvf h ILE 30 CO -0.12 0.28 0.15 0.11 0.00 0.00 0.00 178.15 178.56 2wvf h LYS 31 N 0.11 0.65 -0.33 2.37 1.57 -0.86 -3.13 116.57 116.94 2wvf h LYS 31 Ca 0.06 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2wvf h LYS 31 Cb 0.42 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2wvf h LYS 31 CO 0.01 0.56 0.00 0.09 -0.57 0.00 0.00 179.45 179.54 2wvf n ASN 32 N -4.34 3.22 0.00 0.86 4.13 -0.23 -4.98 115.26 113.92 2wvf n ASN 32 Ca 0.03 -1.93 0.00 0.00 1.68 0.00 0.00 54.58 54.36 2wvf n ASN 32 Cb 0.17 -0.21 0.00 0.00 -1.54 0.00 0.00 39.78 38.20 2wvf n ASN 32 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wvf n GLY 33 N 1.27 0.45 3.86 7.41 0.00 -0.77 -5.05 105.19 112.37 2wvf n GLY 33 Ca 0.17 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.93 2wvf n GLY 33 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wvf s TYR 34 N -2.00 3.52 -0.25 1.61 1.51 -0.21 -5.01 117.35 116.52 2wvf s TYR 34 Ca 0.00 1.31 0.22 0.00 -1.01 0.00 0.00 57.07 57.58 2wvf s TYR 34 Cb 0.00 -2.76 -0.29 0.00 -0.11 0.00 0.00 41.96 38.80 2wvf s TYR 34 CO 0.00 -0.81 0.60 0.43 -1.11 0.00 0.00 175.55 174.67 2wvf n SER 35 N -2.83 0.25 -3.55 2.29 7.64 -1.26 -4.70 113.62 111.46 2wvf n SER 35 Ca 0.06 -0.19 -0.09 0.00 1.01 0.00 0.00 58.87 59.66 2wvf n SER 35 Cb 0.54 1.70 -0.02 0.00 -1.01 0.00 0.00 64.21 65.42 2wvf n SER 35 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2wvf s SER 36 N -4.23 -0.39 0.21 6.43 1.04 -1.26 -5.01 113.70 110.49 2wvf s SER 36 Ca -0.04 -0.12 -0.10 0.00 0.48 0.00 0.00 55.95 56.16 2wvf s SER 36 Cb 0.14 0.50 0.15 0.00 0.10 0.00 0.00 66.02 66.92 2wvf s SER 36 CO 0.89 -0.85 1.87 0.03 0.98 0.00 0.00 173.24 176.17 2wvf h ARG 37 N 2.00 1.00 -0.50 4.02 3.08 -1.96 -2.71 114.38 119.31 2wvf h ARG 37 Ca -0.26 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 59.75 2wvf h ARG 37 Cb 1.26 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 31.06 2wvf h ARG 37 CO 0.32 0.68 0.28 0.77 -1.07 0.00 0.00 179.97 180.94 2wvf h SER 38 N 1.02 0.44 -0.27 7.04 0.02 -1.99 -1.06 113.55 118.75 2wvf h SER 38 Ca 0.27 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.23 2wvf h SER 38 Cb -0.09 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 2wvf h SER 38 CO -0.06 0.31 0.15 -0.08 -1.14 0.00 0.00 176.83 176.01 2wvf h GLU 39 N 0.55 0.37 -0.49 3.45 4.81 -1.92 -0.18 114.58 121.18 2wvf h GLU 39 Ca 0.21 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 2wvf h GLU 39 Cb 0.06 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 2wvf h GLU 39 CO -0.11 0.32 0.17 1.25 -0.73 0.00 0.00 179.01 179.90 2wvf h LEU 40 N 0.33 0.70 -0.56 1.64 5.85 -1.25 -1.61 115.31 120.40 2wvf h LEU 40 Ca 0.10 -0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.55 2wvf h LEU 40 Cb 0.05 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 2wvf h LEU 40 CO -0.02 0.70 0.08 0.58 -0.34 0.00 0.00 178.44 179.45 2wvf h VAL 41 N 0.65 1.26 -0.65 1.05 2.07 -1.07 -0.81 116.25 118.74 2wvf h VAL 41 Ca 0.16 -0.98 0.06 0.00 0.82 0.00 0.00 66.70 66.76 2wvf h VAL 41 Cb 0.25 0.81 -0.06 0.00 -1.52 0.00 0.00 31.29 30.77 2wvf h VAL 41 CO -0.01 0.36 0.36 -0.09 0.02 0.00 0.00 177.57 178.20 2wvf h ARG 42 N 0.82 0.63 -0.38 1.57 2.43 -0.88 -0.96 114.38 117.62 2wvf h ARG 42 Ca 0.17 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.18 2wvf h ARG 42 Cb 0.42 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 2wvf h ARG 42 CO 0.01 0.42 -0.26 -0.44 -1.51 0.00 0.00 179.97 178.19 2wvf h ASP 43 N 0.65 0.81 -0.57 -3.80 5.19 -0.96 -2.04 116.42 115.71 2wvf h ASP 43 Ca 0.30 -0.31 0.04 0.00 -0.62 0.00 0.00 57.03 56.44 2wvf h ASP 43 Cb 0.20 -0.22 -0.04 0.00 0.18 0.00 0.00 39.33 39.44 2wvf h ASP 43 CO -0.19 1.03 0.31 0.24 -3.12 0.00 0.00 179.24 177.51 2wvf h MET 44 N 0.68 0.58 -0.70 3.56 2.86 -0.69 -2.27 114.93 118.95 2wvf h MET 44 Ca 0.09 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 2wvf h MET 44 Cb 0.79 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.28 2wvf h MET 44 CO 0.06 0.38 0.41 0.82 1.06 0.00 0.00 176.91 179.65 2wvf h ILE 45 N 0.60 1.20 -0.84 -1.22 2.04 -0.80 -1.46 117.51 117.03 2wvf h ILE 45 Ca 0.24 -0.46 0.03 0.00 1.00 0.00 0.00 64.86 65.67 2wvf h ILE 45 Cb 0.12 0.25 -0.05 0.00 -0.74 0.00 0.00 36.82 36.40 2wvf h ILE 45 CO -0.15 0.21 0.54 0.03 0.00 0.00 0.00 178.15 178.79 2wvf h ARG 46 N 0.95 1.03 -0.49 2.37 3.08 -1.06 -0.38 114.38 119.88 2wvf h ARG 46 Ca 0.25 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.18 2wvf h ARG 46 Cb -0.02 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.78 2wvf h ARG 46 CO -0.05 0.68 0.09 0.93 -1.07 0.00 0.00 179.97 180.55 2wvf h GLU 47 N 1.06 0.82 -0.38 0.04 5.08 -0.99 -2.44 114.58 117.76 2wvf h GLU 47 Ca 0.33 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2wvf h GLU 47 Cb -0.01 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2wvf h GLU 47 CO -0.11 0.81 0.18 0.87 -1.00 0.00 0.00 179.01 179.76 2wvf h LYS 48 N 0.69 0.55 0.00 2.33 1.57 -0.87 -2.42 116.57 118.43 2wvf h LYS 48 Ca 0.15 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2wvf h LYS 48 Cb 0.39 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 2wvf h LYS 48 CO 0.01 0.49 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.29 2wvf h LEU 49 N 0.48 0.00 -1.09 2.94 3.38 -0.95 -1.05 115.31 119.02 2wvf h LEU 49 Ca 0.13 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 2wvf h LEU 49 Cb 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2wvf h LEU 49 CO -0.02 0.02 -0.36 0.58 0.09 0.00 0.00 178.44 178.75 2wvf h VAL 50 N 0.00 1.28 -4.00 1.22 2.07 -0.94 -3.44 116.25 112.45 2wvf h VAL 50 Ca -0.00 -1.37 -0.50 0.00 0.82 0.00 0.00 66.70 65.65 2wvf h VAL 50 Cb 0.17 1.63 0.05 0.00 -1.52 0.00 0.00 31.29 31.62 2wvf h VAL 50 CO 0.00 0.40 0.47 -0.70 0.02 0.00 0.00 177.57 177.76 2wvf s GLU 51 N -4.23 3.82 -0.13 1.57 2.56 -0.40 -4.98 118.70 116.91 2wvf s GLU 51 Ca -0.04 1.71 -0.11 0.00 0.00 0.00 0.00 54.97 56.53 2wvf s GLU 51 Cb 0.14 -2.41 -0.25 0.00 2.00 0.00 0.00 34.13 33.61 2wvf s GLU 51 CO 0.75 -0.48 0.37 -0.44 -0.56 0.00 0.00 175.26 174.90 2wvf h ASP 52 N 2.09 0.34 -3.67 -1.70 5.19 -1.85 -3.45 116.42 113.37 2wvf h ASP 52 Ca -0.49 -0.85 -0.65 0.00 -0.62 0.00 0.00 57.03 54.42 2wvf h ASP 52 Cb 1.24 -0.11 -0.40 0.00 0.18 0.00 0.00 39.33 40.24 2wvf h ASP 52 CO 0.60 1.76 -0.73 0.20 -3.12 0.00 0.00 179.24 177.95 2wvf s ASN 53 N -7.02 4.65 0.73 6.45 -0.87 -1.26 -5.11 114.94 112.51 2wvf s ASN 53 Ca -0.23 -2.01 -0.11 0.00 -1.57 0.00 0.00 52.86 48.94 2wvf s ASN 53 Cb 0.06 -1.55 0.03 0.00 -0.02 0.00 0.00 41.25 39.77 2wvf s ASN 53 CO 0.74 -0.36 1.08 0.26 -2.57 0.00 0.00 177.10 176.25 2wvf s TRP 54 N 0.99 3.10 0.12 2.20 0.51 -1.26 -4.96 118.94 119.65 2wvf s TRP 54 Ca 0.08 1.23 -0.17 0.00 -2.12 0.00 0.00 56.10 55.12 2wvf s TRP 54 Cb -0.19 -2.99 -0.03 0.00 -0.81 0.00 0.00 33.47 29.45 2wvf s TRP 54 CO -0.09 -1.38 1.70 0.00 -0.51 0.00 0.00 176.95 176.68 2wvf h ALA 55 N -0.81 0.42 0.00 0.98 0.00 -2.01 -0.85 119.26 116.99 2wvf h ALA 55 Ca -0.45 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2wvf h ALA 55 Cb 1.24 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2wvf h ALA 55 CO 0.60 -0.02 0.00 -0.85 0.00 0.00 0.00 179.25 178.97 2wvf n GLU 56 N -4.76 0.55 0.00 0.00 0.00 -1.26 -4.87 120.64 110.30 2wvf n GLU 56 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.15 2wvf n GLU 56 Cb 0.10 -1.26 0.00 0.00 0.00 0.00 0.00 31.44 30.29 2wvf n GLU 56 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2wvf n ASP 57 N 0.18 0.00 -4.00 -1.84 9.92 -0.33 -4.27 116.55 116.22 2wvf n ASP 57 Ca 0.00 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 53.95 2wvf n ASP 57 Cb 0.13 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.46 2wvf n ASP 57 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 2wvf s ASN 58 N -2.14 4.37 0.50 -2.24 3.84 -1.26 -4.91 114.94 113.09 2wvf s ASN 58 Ca 0.00 -1.59 -0.23 0.00 0.21 0.00 0.00 52.86 51.25 2wvf s ASN 58 Cb 0.00 -1.43 -0.06 0.00 -0.55 0.00 0.00 41.25 39.21 2wvf s ASN 58 CO 0.00 -0.27 1.34 -2.84 -2.79 0.00 0.00 177.10 172.53 2wvf s PRO 59 N 1.15 3.41 0.28 0.43 0.02 -1.26 -5.01 135.00 134.02 2wvf s PRO 59 Ca -0.01 2.19 -0.04 0.00 0.02 0.00 0.00 61.00 63.17 2wvf s PRO 59 Cb -0.19 -2.40 0.02 0.00 0.02 0.00 0.00 34.50 31.94 2wvf s PRO 59 CO -0.08 -0.96 0.44 0.27 -0.33 0.00 0.00 177.00 176.34 2wvf n ASN 60 N -0.68 -1.24 -0.45 2.53 0.23 -1.26 -5.03 115.26 109.35 2wvf n ASN 60 Ca 0.08 -2.41 0.14 0.00 -0.53 0.00 0.00 54.58 51.87 2wvf n ASN 60 Cb 0.45 2.23 0.55 0.00 -2.08 0.00 0.00 39.78 40.93 2wvf n ASN 60 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2wvf n ASP 61 N -1.65 1.40 -4.77 0.53 9.92 -1.26 -2.56 116.55 118.16 2wvf n ASP 61 Ca -0.01 -1.47 -0.40 0.00 -0.53 0.00 0.00 54.79 52.38 2wvf n ASP 61 Cb 0.46 -0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.91 2wvf n ASP 61 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2wvf s GLU 62 N -2.00 4.36 0.21 -1.24 8.01 -1.26 -4.73 118.70 122.06 2wvf s GLU 62 Ca 0.39 1.99 -0.30 0.00 0.01 0.00 0.00 54.97 57.05 2wvf s GLU 62 Cb 0.21 -3.00 -0.08 0.00 -4.31 0.00 0.00 34.13 26.95 2wvf s GLU 62 CO 0.34 -0.10 1.04 0.45 0.01 0.00 0.00 175.26 177.00 2wvf s SER 63 N -0.79 7.39 0.05 -0.19 0.15 -1.26 -4.12 113.70 114.93 2wvf s SER 63 Ca 0.50 2.07 0.02 0.00 0.70 0.00 0.00 55.95 59.23 2wvf s SER 63 Cb -0.35 -2.61 -0.03 0.00 -1.71 0.00 0.00 66.02 61.32 2wvf s SER 63 CO 0.45 -0.08 -0.07 -0.54 1.20 0.00 0.00 173.24 174.20 2wvf s LYS 64 N -0.82 0.55 0.09 5.44 1.02 -0.08 -4.93 119.74 121.00 2wvf s LYS 64 Ca 0.46 -0.86 -0.15 0.00 0.02 0.00 0.00 55.97 55.44 2wvf s LYS 64 Cb -0.28 -0.19 -0.06 0.00 -0.52 0.00 0.00 37.83 36.77 2wvf s LYS 64 CO 0.35 0.01 0.51 -1.50 -0.92 0.00 0.00 175.35 173.80 2wvf s ILE 65 N -1.90 4.89 0.07 2.17 2.07 -1.22 -1.57 121.20 125.71 2wvf s ILE 65 Ca -0.06 0.89 -0.07 0.00 -1.41 0.00 0.00 60.65 59.99 2wvf s ILE 65 Cb -0.06 -3.76 -0.01 0.00 0.13 0.00 0.00 42.46 38.76 2wvf s ILE 65 CO -0.01 0.41 0.15 0.00 -1.91 0.00 0.00 174.94 173.57 2wvf s ALA 66 N -1.28 -0.12 -0.06 1.50 0.00 0.53 -0.86 121.76 121.47 2wvf s ALA 66 Ca 0.32 -0.65 0.03 0.00 0.00 0.00 0.00 51.96 51.65 2wvf s ALA 66 Cb -0.16 0.40 0.01 0.00 0.00 0.00 0.00 23.12 23.36 2wvf s ALA 66 CO 0.18 -0.45 -0.13 0.08 0.00 0.00 0.00 175.76 175.44 2wvf s VAL 67 N -3.55 1.22 -0.19 0.00 1.01 0.26 -1.07 120.40 118.07 2wvf s VAL 67 Ca 0.03 -0.54 -0.05 0.00 0.00 0.00 0.00 61.98 61.42 2wvf s VAL 67 Cb 0.04 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 2wvf s VAL 67 CO -0.09 0.37 -0.01 -0.22 0.00 0.00 0.00 175.10 175.15 2wvf s LEU 68 N 0.57 3.25 -0.24 3.92 2.96 -0.03 -0.50 118.68 128.61 2wvf s LEU 68 Ca -0.14 -0.20 -0.08 0.00 -0.22 0.00 0.00 54.13 53.50 2wvf s LEU 68 Cb -0.15 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 2wvf s LEU 68 CO 0.04 0.08 0.08 -0.69 -1.32 0.00 0.00 176.35 174.53 2wvf s VAL 69 N 0.92 4.44 -0.10 1.68 1.01 0.25 -0.82 120.40 127.78 2wvf s VAL 69 Ca 0.01 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 61.88 2wvf s VAL 69 Cb -0.14 -3.07 0.01 0.00 0.00 0.00 0.00 36.38 33.18 2wvf s VAL 69 CO 0.02 0.35 -0.18 -0.69 0.00 0.00 0.00 175.10 174.60 2wvf s VAL 70 N 1.46 1.63 -0.14 2.92 1.01 -0.10 -0.65 120.40 126.52 2wvf s VAL 70 Ca 0.06 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.26 2wvf s VAL 70 Cb -0.15 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 2wvf s VAL 70 CO 0.04 0.47 -0.05 -0.63 0.00 0.00 0.00 175.10 174.93 2wvf s ILE 71 N 0.70 3.82 0.08 2.22 1.01 -1.01 -0.39 121.20 127.64 2wvf s ILE 71 Ca -0.12 -0.39 -0.08 0.00 0.00 0.00 0.00 60.65 60.05 2wvf s ILE 71 Cb -0.16 -2.65 -0.00 0.00 0.01 0.00 0.00 42.46 39.65 2wvf s ILE 71 CO 0.03 0.52 0.18 -0.72 0.00 0.00 0.00 174.94 174.94 2wvf s TYR 72 N 0.14 0.16 -0.55 3.97 -0.85 -0.41 -0.24 117.35 119.57 2wvf s TYR 72 Ca -0.02 -0.58 -0.28 0.00 -0.52 0.00 0.00 57.07 55.68 2wvf s TYR 72 Cb -0.14 -0.07 0.02 0.00 0.38 0.00 0.00 41.96 42.15 2wvf s TYR 72 CO 0.03 -0.52 1.34 0.34 -1.52 0.00 0.00 175.55 175.22 2wvf s ASP 73 N -2.78 6.26 0.30 -0.18 2.15 0.21 -0.46 116.67 122.16 2wvf s ASP 73 Ca 0.04 0.30 0.24 0.00 0.43 0.00 0.00 52.55 53.56 2wvf s ASP 73 Cb 0.04 -2.55 1.08 0.00 -0.30 0.00 0.00 42.92 41.20 2wvf s ASP 73 CO -0.10 -1.60 1.73 1.23 -0.17 0.00 0.00 175.17 176.26 2wvf h GLY 74 N 12.60 0.00 0.49 2.66 0.00 -1.00 -2.22 103.07 115.60 2wvf h GLY 74 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2wvf h GLY 74 CO 1.17 0.00 -0.11 0.61 0.00 0.00 0.00 176.54 178.21 2wvf n GLY 75 N -0.35 -0.69 3.60 4.60 0.00 -1.26 -4.79 105.19 106.31 2wvf n GLY 75 Ca 0.01 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 2wvf n GLY 75 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2wvf s GLN 76 N -2.34 3.64 0.26 1.61 2.00 -0.84 -4.98 119.66 119.01 2wvf s GLN 76 Ca 0.31 0.59 -0.31 0.00 -2.00 0.00 0.00 55.36 53.96 2wvf s GLN 76 Cb 0.20 -3.96 -0.13 0.00 0.80 0.00 0.00 33.01 29.93 2wvf s GLN 76 CO 0.45 -1.49 1.46 -2.13 -0.50 0.00 0.00 175.29 173.08 2wvf n ARG 77 N 8.02 2.25 -0.75 1.67 0.63 -1.26 -2.26 116.66 124.96 2wvf n ARG 77 Ca 0.13 0.80 0.00 0.00 -0.92 0.00 0.00 57.85 57.85 2wvf n ARG 77 Cb 0.49 -2.49 0.00 0.00 0.45 0.00 0.00 32.46 30.91 2wvf n ARG 77 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2wvf n GLU 78 N 2.01 -0.20 -0.23 -0.14 -0.58 -1.26 -4.86 120.64 115.38 2wvf n GLU 78 Ca 0.10 0.05 -0.07 0.00 -0.42 0.00 0.00 57.16 56.83 2wvf n GLU 78 Cb 0.33 -3.78 0.04 0.00 -0.57 0.00 0.00 31.44 27.46 2wvf n GLU 78 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2wvf h LEU 79 N 0.00 0.87 -0.82 -4.62 5.85 -1.83 -1.75 115.31 113.02 2wvf h LEU 79 Ca 0.00 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 2wvf h LEU 79 Cb 0.10 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 2wvf h LEU 79 CO 0.00 0.78 0.28 -1.13 -0.34 0.00 0.00 178.44 178.03 2wvf h ASN 80 N 0.91 1.07 -0.84 1.25 -1.24 -1.89 -1.69 115.58 113.14 2wvf h ASN 80 Ca 0.22 -0.18 0.04 0.00 0.71 0.00 0.00 56.30 57.09 2wvf h ASN 80 Cb 0.16 -0.28 -0.05 0.00 0.73 0.00 0.00 38.32 38.88 2wvf h ASN 80 CO -0.02 0.97 0.54 -0.61 -1.29 0.00 0.00 177.43 177.01 2wvf h GLN 81 N 1.12 0.99 -0.84 6.67 5.75 -1.87 0.87 115.11 127.80 2wvf h GLN 81 Ca 0.25 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.66 2wvf h GLN 81 Cb 0.25 -0.22 -0.04 0.00 1.07 0.00 0.00 27.48 28.54 2wvf h GLN 81 CO -0.02 0.66 0.41 0.00 -2.65 0.00 0.00 178.83 177.23 2wvf h ARG 82 N 1.02 1.20 -0.43 1.69 3.08 -0.65 0.15 114.38 120.44 2wvf h ARG 82 Ca 0.35 -0.17 -0.13 0.00 0.07 0.00 0.00 59.98 60.10 2wvf h ARG 82 Cb 0.06 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 2wvf h ARG 82 CO -0.13 0.91 -0.25 0.52 -1.07 0.00 0.00 179.97 179.95 2wvf h MET 83 N 1.19 0.90 -0.39 0.04 2.86 -0.61 -1.47 114.93 117.45 2wvf h MET 83 Ca 0.29 -0.39 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 2wvf h MET 83 Cb 0.10 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 2wvf h MET 83 CO -0.04 1.04 0.19 0.82 1.06 0.00 0.00 176.91 179.99 2wvf h ILE 84 N 0.77 1.17 -0.48 -1.22 2.04 -0.45 -1.22 117.51 118.12 2wvf h ILE 84 Ca 0.10 -0.47 0.05 0.00 1.00 0.00 0.00 64.86 65.53 2wvf h ILE 84 Cb 0.80 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 2wvf h ILE 84 CO 0.07 0.18 0.23 0.44 0.00 0.00 0.00 178.15 179.07 2wvf h ASP 85 N 0.50 0.32 -0.56 1.72 3.32 -0.48 0.13 116.42 121.37 2wvf h ASP 85 Ca 0.14 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 2wvf h ASP 85 Cb 0.11 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 2wvf h ASP 85 CO -0.02 0.22 0.24 0.40 -1.72 0.00 0.00 179.24 178.36 2wvf h ILE 86 N 0.45 1.22 -0.26 0.35 2.04 -1.10 -1.73 117.51 118.48 2wvf h ILE 86 Ca 0.21 -0.66 -0.16 0.00 1.00 0.00 0.00 64.86 65.26 2wvf h ILE 86 Cb 0.14 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 2wvf h ILE 86 CO -0.16 0.26 -0.49 1.56 0.00 0.00 0.00 178.15 179.31 2wvf h GLN 87 N 0.76 0.70 -0.12 2.37 4.20 -0.72 -1.30 115.11 121.00 2wvf h GLN 87 Ca 0.19 -0.41 -0.11 0.00 0.06 0.00 0.00 58.65 58.38 2wvf h GLN 87 Cb 0.18 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 2wvf h GLN 87 CO -0.02 1.03 -0.41 0.45 -0.67 0.00 0.00 178.83 179.21 2wvf h HIS 88 N 0.55 0.31 0.00 2.96 3.86 -0.95 -3.09 115.15 118.80 2wvf h HIS 88 Ca 0.03 -0.09 -0.09 0.00 -1.16 0.00 0.00 60.37 59.06 2wvf h HIS 88 Cb 1.05 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 29.44 2wvf h HIS 88 CO 0.05 0.64 -0.42 0.00 0.86 0.00 0.00 177.93 179.06 2wvf h ALA 89 N 1.35 0.77 -2.91 2.45 0.00 -1.09 -3.47 119.26 116.36 2wvf h ALA 89 Ca 0.02 -0.38 -0.56 0.00 0.00 0.00 0.00 54.91 53.99 2wvf h ALA 89 Cb 0.83 -0.07 0.13 0.00 0.00 0.00 0.00 17.79 18.68 2wvf h ALA 89 CO 0.07 0.53 0.57 0.45 0.00 0.00 0.00 179.25 180.86 2wvf n SER 90 N -3.26 2.71 0.11 0.00 2.88 -0.51 -4.90 113.62 110.65 2wvf n SER 90 Ca 0.02 1.05 0.12 0.00 -1.33 0.00 0.00 58.87 58.73 2wvf n SER 90 Cb 0.66 -1.55 0.46 0.00 -0.75 0.00 0.00 64.21 63.03 2wvf n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2wvf n GLY 91 N 0.76 -1.42 3.72 0.46 0.00 -1.26 -4.81 105.19 102.64 2wvf n GLY 91 Ca 0.08 0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 2wvf n GLY 91 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wvf s THR 92 N -3.23 2.84 -0.45 2.61 -4.23 -1.26 -4.98 115.64 106.95 2wvf s THR 92 Ca 0.07 0.27 -0.16 0.00 -1.18 0.00 0.00 61.69 60.69 2wvf s THR 92 Cb 0.11 -2.66 0.05 0.00 1.34 0.00 0.00 72.50 71.34 2wvf s THR 92 CO 0.46 -0.36 0.40 -2.28 -0.54 0.00 0.00 174.62 172.30 2wvf s HIS 93 N -2.85 3.21 -0.25 3.99 5.65 0.72 -4.95 115.29 120.81 2wvf s HIS 93 Ca 0.63 -0.71 -0.25 0.00 0.25 0.00 0.00 55.06 54.98 2wvf s HIS 93 Cb -0.19 -2.99 -0.00 0.00 -1.18 0.00 0.00 32.58 28.22 2wvf s HIS 93 CO 0.57 -0.74 0.85 0.08 -0.65 0.00 0.00 174.74 174.85 2wvf s VAL 94 N 1.82 4.81 -0.02 0.89 1.01 -1.26 -0.50 120.40 127.15 2wvf s VAL 94 Ca 0.07 1.58 -0.20 0.00 0.00 0.00 0.00 61.98 63.42 2wvf s VAL 94 Cb -0.21 -4.15 -0.30 0.00 0.00 0.00 0.00 36.38 31.72 2wvf s VAL 94 CO 0.09 -0.11 0.97 -0.07 0.00 0.00 0.00 175.10 175.98 2wvf h LEU 95 N 9.26 0.57 -7.00 3.92 3.38 -0.87 -3.49 115.31 121.08 2wvf h LEU 95 Ca -0.23 -0.90 0.21 0.00 0.09 0.00 0.00 57.88 57.06 2wvf h LEU 95 Cb 1.09 -0.18 -0.18 0.00 0.09 0.00 0.00 40.66 41.48 2wvf h LEU 95 CO 0.89 1.41 0.71 0.00 0.09 0.00 0.00 178.44 181.54 2wvf s THR 97 N -2.61 0.94 -0.09 0.00 2.01 -1.26 -1.19 115.64 113.44 2wvf s THR 97 Ca 0.08 -0.39 0.03 0.00 0.31 0.00 0.00 61.69 61.73 2wvf s THR 97 Cb -0.01 -0.87 0.00 0.00 0.01 0.00 0.00 72.50 71.64 2wvf s THR 97 CO -0.06 0.30 -0.20 -0.89 -0.69 0.00 0.00 174.62 173.09 2wvf s THR 98 N 0.57 1.74 -0.04 -0.82 2.01 -0.29 -4.97 115.64 113.85 2wvf s THR 98 Ca -0.11 -0.83 0.06 0.00 0.31 0.00 0.00 61.69 61.12 2wvf s THR 98 Cb -0.14 -1.53 -0.02 0.00 0.01 0.00 0.00 72.50 70.83 2wvf s THR 98 CO 0.02 0.49 -0.21 -1.00 -0.69 0.00 0.00 174.62 173.23 2wvf s HIS 99 N 0.45 2.50 0.19 4.92 3.76 -1.26 -0.81 115.29 125.03 2wvf s HIS 99 Ca -0.17 -0.36 0.05 0.00 -0.15 0.00 0.00 55.06 54.42 2wvf s HIS 99 Cb -0.17 -1.57 -0.05 0.00 1.11 0.00 0.00 32.58 31.90 2wvf s HIS 99 CO 0.07 0.03 -0.07 0.96 -0.85 0.00 0.00 174.74 174.88 2wvf s ILE 100 N -0.60 1.20 -0.14 0.60 -4.36 -0.15 -5.00 121.20 112.75 2wvf s ILE 100 Ca 0.09 -2.07 -0.16 0.00 -0.26 0.00 0.00 60.65 58.25 2wvf s ILE 100 Cb -0.11 -2.06 -0.04 0.00 1.25 0.00 0.00 42.46 41.50 2wvf s ILE 100 CO 0.00 -0.57 0.40 -1.00 0.24 0.00 0.00 174.94 174.01 2wvf s HIS 101 N -3.31 3.47 -0.12 1.37 3.76 -1.26 -1.04 115.29 118.16 2wvf s HIS 101 Ca 0.22 0.75 -0.17 0.00 -0.15 0.00 0.00 55.06 55.70 2wvf s HIS 101 Cb 0.03 -2.48 -0.26 0.00 1.11 0.00 0.00 32.58 30.99 2wvf s HIS 101 CO 0.04 0.17 0.51 0.52 -0.85 0.00 0.00 174.74 175.13 2wvf h MET 102 N 6.80 0.19 0.00 1.40 0.00 -1.47 -3.47 114.93 118.37 2wvf h MET 102 Ca -0.40 -0.32 0.00 0.00 0.00 0.00 0.00 59.70 58.98 2wvf h MET 102 Cb 1.17 0.12 0.00 0.00 0.00 0.00 0.00 31.60 32.89 2wvf h MET 102 CO 0.75 1.15 0.00 -0.40 0.00 0.00 0.00 176.91 178.41 2wvf n ASP 103 N -4.04 0.00 0.21 1.22 5.68 -1.18 -5.01 116.55 113.44 2wvf n ASP 103 Ca -0.25 0.00 0.09 0.00 -0.50 0.00 0.00 54.79 54.13 2wvf n ASP 103 Cb 0.84 0.00 0.43 0.00 -1.14 0.00 0.00 41.12 41.25 2wvf n ASP 103 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2wvf h GLU 104 N 0.00 0.00 0.00 0.11 -0.00 -2.04 -3.37 114.58 109.28 2wvf h GLU 104 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 59.36 59.23 2wvf h GLU 104 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 28.73 2wvf h GLU 104 CO 0.00 0.25 -1.48 -2.39 -0.00 0.00 0.00 179.01 175.39 2wvf n HIS 105 N -3.41 0.00 -3.06 2.06 -0.00 -1.26 -4.91 115.22 104.65 2wvf n HIS 105 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.33 2wvf n HIS 105 Cb 0.45 -0.32 -0.06 0.00 -0.00 0.00 0.00 29.99 30.06 2wvf n HIS 105 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.34 175.54 2wvf s ASN 106 N -5.02 7.27 0.19 4.39 0.01 -1.26 -0.33 114.94 120.18 2wvf s ASN 106 Ca -0.11 1.54 0.11 0.00 -0.71 0.00 0.00 52.86 53.68 2wvf s ASN 106 Cb 0.03 -2.46 -0.04 0.00 0.41 0.00 0.00 41.25 39.19 2wvf s ASN 106 CO 0.18 0.19 -0.23 0.00 -1.51 0.00 0.00 177.10 175.74 2wvf s LEU 108 N -2.67 1.95 0.09 0.00 0.20 -0.20 -1.29 118.68 116.76 2wvf s LEU 108 Ca 0.19 -0.47 0.09 0.00 0.69 0.00 0.00 54.13 54.64 2wvf s LEU 108 Cb -0.07 -1.21 -0.03 0.00 -0.43 0.00 0.00 46.19 44.44 2wvf s LEU 108 CO 0.09 0.13 -0.23 -1.83 -0.29 0.00 0.00 176.35 174.23 2wvf s GLU 109 N 0.37 1.31 -0.10 1.98 -1.05 0.48 -0.98 118.70 120.71 2wvf s GLU 109 Ca -0.15 -1.14 0.02 0.00 -0.15 0.00 0.00 54.97 53.54 2wvf s GLU 109 Cb -0.17 -1.58 -0.02 0.00 -0.44 0.00 0.00 34.13 31.93 2wvf s GLU 109 CO 0.07 0.38 -0.15 0.95 0.95 0.00 0.00 175.26 177.46 2wvf s THR 110 N -1.02 2.90 -0.20 1.83 -4.23 0.01 -0.93 115.64 114.00 2wvf s THR 110 Ca 0.09 -0.74 -0.02 0.00 -1.18 0.00 0.00 61.69 59.84 2wvf s THR 110 Cb -0.10 -2.17 0.00 0.00 1.34 0.00 0.00 72.50 71.57 2wvf s THR 110 CO 0.04 0.55 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.92 2wvf s ILE 111 N -0.01 2.78 -0.19 2.99 1.01 0.00 -1.14 121.20 126.64 2wvf s ILE 111 Ca -0.04 -0.70 -0.08 0.00 0.00 0.00 0.00 60.65 59.83 2wvf s ILE 111 Cb -0.14 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 2wvf s ILE 111 CO 0.04 0.48 0.07 -0.63 0.00 0.00 0.00 174.94 174.90 2wvf s ILE 112 N 1.34 4.80 0.22 2.92 1.01 -0.33 -0.85 121.20 130.30 2wvf s ILE 112 Ca 0.04 -0.03 -0.12 0.00 0.00 0.00 0.00 60.65 60.54 2wvf s ILE 112 Cb -0.14 -3.17 -0.00 0.00 0.01 0.00 0.00 42.46 39.16 2wvf s ILE 112 CO -0.07 0.45 0.43 -1.48 0.00 0.00 0.00 174.94 174.28 2wvf s LEU 113 N 0.41 0.45 -0.01 2.97 2.34 -0.24 -0.12 118.68 124.49 2wvf s LEU 113 Ca 0.03 -0.84 0.03 0.00 0.06 0.00 0.00 54.13 53.42 2wvf s LEU 113 Cb -0.12 1.67 -0.01 0.00 -0.56 0.00 0.00 46.19 47.16 2wvf s LEU 113 CO 0.00 -1.06 -0.10 -1.10 -1.06 0.00 0.00 176.35 173.03 2wvf s GLN 114 N -3.98 0.85 0.00 1.48 -0.21 0.35 -0.34 119.66 117.80 2wvf s GLN 114 Ca 0.19 -0.37 0.00 0.00 0.02 0.00 0.00 55.36 55.20 2wvf s GLN 114 Cb 0.00 -0.82 0.00 0.00 1.00 0.00 0.00 33.01 33.20 2wvf s GLN 114 CO 0.05 0.22 0.00 0.41 -2.12 0.00 0.00 175.29 173.85 2wvf n GLY 115 N 2.83 -1.48 3.94 3.09 0.00 -0.61 -0.20 105.19 112.77 2wvf n GLY 115 Ca -0.14 -1.07 -0.27 0.00 0.00 0.00 0.00 46.02 44.54 2wvf n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wvf s ASN 116 N -0.32 4.07 0.25 1.61 2.20 -1.26 -0.91 114.94 120.59 2wvf s ASN 116 Ca 0.00 0.28 -0.04 0.00 -0.94 0.00 0.00 52.86 52.16 2wvf s ASN 116 Cb 0.00 -0.64 0.34 0.00 -2.00 0.00 0.00 41.25 38.95 2wvf s ASN 116 CO 0.00 -2.10 1.89 0.28 -2.94 0.00 0.00 177.10 174.23 2wvf h SER 117 N -1.03 1.03 -0.22 3.54 0.02 -1.66 -1.08 113.55 114.15 2wvf h SER 117 Ca -0.43 -0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.44 2wvf h SER 117 Cb 1.28 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.59 2wvf h SER 117 CO 0.49 0.69 -0.14 -0.26 -1.14 0.00 0.00 176.83 176.47 2wvf h PHE 118 N 1.18 0.57 -0.48 3.45 -1.00 -1.94 -1.33 116.94 117.39 2wvf h PHE 118 Ca 0.40 -0.15 -0.05 0.00 2.81 0.00 0.00 57.97 60.97 2wvf h PHE 118 Cb 0.06 -0.13 -0.02 0.00 3.61 0.00 0.00 35.95 39.47 2wvf h PHE 118 CO -0.01 0.79 0.11 0.93 -1.61 0.00 0.00 178.31 178.53 2wvf h GLU 119 N 0.18 0.78 -0.51 1.51 5.08 -1.89 -1.48 114.58 118.25 2wvf h GLU 119 Ca 0.04 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.15 2wvf h GLU 119 Cb 0.66 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 2wvf h GLU 119 CO 0.04 0.76 0.08 0.82 -1.00 0.00 0.00 179.01 179.71 2wvf h ILE 120 N 0.66 1.25 -0.55 3.13 2.04 -1.17 -2.24 117.51 120.62 2wvf h ILE 120 Ca 0.15 -0.94 0.02 0.00 1.00 0.00 0.00 64.86 65.09 2wvf h ILE 120 Cb 0.33 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 2wvf h ILE 120 CO 0.00 0.34 0.34 -0.61 0.00 0.00 0.00 178.15 178.22 2wvf h GLN 121 N 0.73 0.66 -0.59 2.37 4.15 -1.13 -1.84 115.11 119.46 2wvf h GLN 121 Ca 0.16 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.54 2wvf h GLN 121 Cb 0.40 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.92 2wvf h GLN 121 CO 0.01 0.44 0.38 0.00 -1.93 0.00 0.00 178.83 177.73 2wvf h ARG 122 N 0.68 0.79 0.01 1.69 3.08 -1.05 -1.24 114.38 118.34 2wvf h ARG 122 Ca 0.22 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2wvf h ARG 122 Cb -0.00 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 29.87 2wvf h ARG 122 CO -0.09 0.54 -0.02 1.25 -1.07 0.00 0.00 179.97 180.58 2wvf h LEU 123 N 0.80 -0.07 -0.22 3.04 6.46 -1.11 -0.37 115.31 123.85 2wvf h LEU 123 Ca 0.22 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 58.01 2wvf h LEU 123 Cb -0.07 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 39.86 2wvf h LEU 123 CO -0.04 -0.04 0.07 -0.61 -0.62 0.00 0.00 178.44 177.19 2wvf h GLN 124 N -0.05 0.16 -0.53 1.25 -0.00 -1.10 -1.59 115.11 113.24 2wvf h GLN 124 Ca 0.01 -0.01 -0.10 0.00 -0.00 0.00 0.00 58.65 58.55 2wvf h GLN 124 Cb 0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 27.48 27.48 2wvf h GLN 124 CO -0.02 0.11 -0.05 -0.07 0.00 0.00 0.00 178.83 178.80 2wvf h LEU 125 N 0.16 0.93 -0.15 -2.39 3.38 -1.08 0.66 115.31 116.83 2wvf h LEU 125 Ca 0.10 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 2wvf h LEU 125 Cb 0.07 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2wvf h LEU 125 CO -0.11 1.02 0.04 -0.33 0.09 0.00 0.00 178.44 179.16 2wvf h GLU 126 N 0.86 0.23 -0.28 1.13 5.08 -0.88 -2.08 114.58 118.64 2wvf h GLU 126 Ca 0.15 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 2wvf h GLU 126 Cb 0.58 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2wvf h GLU 126 CO 0.04 0.36 -0.07 0.82 -1.00 0.00 0.00 179.01 179.16 2wvf h ILE 127 N 0.06 1.28 -0.29 3.13 2.04 -1.22 -3.02 117.51 119.48 2wvf h ILE 127 Ca 0.05 -1.09 0.09 0.00 1.00 0.00 0.00 64.86 64.90 2wvf h ILE 127 Cb 0.23 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 2wvf h ILE 127 CO -0.00 0.35 0.23 1.23 0.00 0.00 0.00 178.15 179.96 2wvf h GLY 128 N 0.31 0.00 1.34 5.37 0.00 -0.82 -2.41 103.07 106.86 2wvf h GLY 128 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2wvf h GLY 128 CO 0.03 0.00 -0.17 0.61 0.00 0.00 0.00 176.54 177.01 2wvf n GLY 129 N -1.55 -1.24 3.74 4.60 0.00 -0.79 -4.85 105.19 105.10 2wvf n GLY 129 Ca 0.04 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 2wvf n GLY 129 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wvf s LEU 130 N -2.81 4.46 0.16 0.99 1.43 -0.91 -4.97 118.68 117.03 2wvf s LEU 130 Ca 0.19 2.34 -0.32 0.00 -1.03 0.00 0.00 54.13 55.30 2wvf s LEU 130 Cb 0.19 -3.62 -0.12 0.00 0.03 0.00 0.00 46.19 42.68 2wvf s LEU 130 CO 0.55 -0.39 1.76 -1.14 0.23 0.00 0.00 176.35 177.36 2wvf n ARG 131 N 2.11 2.69 0.00 1.70 0.63 -1.26 -1.53 116.66 121.01 2wvf n ARG 131 Ca 0.03 0.98 0.00 0.00 -0.92 0.00 0.00 57.85 57.94 2wvf n ARG 131 Cb 0.44 -2.83 0.00 0.00 0.45 0.00 0.00 32.46 30.51 2wvf n ARG 131 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wvf n GLY 132 N 4.03 2.70 3.66 5.14 0.00 -1.26 -4.98 105.19 114.49 2wvf n GLY 132 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2wvf n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wvf s VAL 133 N -2.66 4.89 0.03 1.61 1.01 -0.58 -0.62 120.40 124.07 2wvf s VAL 133 Ca 0.00 1.55 -0.17 0.00 0.00 0.00 0.00 61.98 63.36 2wvf s VAL 133 Cb 0.00 -4.10 -0.33 0.00 0.00 0.00 0.00 36.38 31.95 2wvf s VAL 133 CO 0.00 0.01 1.02 0.11 0.00 0.00 0.00 175.10 176.24 2wvf h LYS 134 N 7.45 0.53 -2.44 2.72 1.79 -0.93 -3.46 116.57 122.23 2wvf h LYS 134 Ca -0.28 -0.84 0.12 0.00 -2.18 0.00 0.00 60.65 57.48 2wvf h LYS 134 Cb 1.12 0.30 -0.11 0.00 -1.58 0.00 0.00 32.23 31.96 2wvf h LYS 134 CO 0.84 1.39 0.44 -0.59 -1.08 0.00 0.00 179.45 180.45 2wvf s PHE 135 N -2.71 -0.26 -0.26 -1.35 -0.12 -1.18 -5.00 117.98 107.10 2wvf s PHE 135 Ca -0.10 0.02 -0.04 0.00 -0.05 0.00 0.00 56.93 56.76 2wvf s PHE 135 Cb 0.04 0.60 0.09 0.00 -0.63 0.00 0.00 43.02 43.12 2wvf s PHE 135 CO 0.92 -0.75 0.12 0.00 -0.05 0.00 0.00 175.22 175.46 2wvf s ALA 136 N -3.32 0.64 -0.18 1.99 0.00 -1.26 -2.40 121.76 117.23 2wvf s ALA 136 Ca 0.08 -0.93 -0.07 0.00 0.00 0.00 0.00 51.96 51.04 2wvf s ALA 136 Cb -0.02 -1.32 -0.04 0.00 0.00 0.00 0.00 23.12 21.75 2wvf s ALA 136 CO -0.03 -1.53 0.04 0.15 0.00 0.00 0.00 175.76 174.39 2wvf s LYS 137 N 2.07 3.91 -0.13 0.00 1.02 0.18 -4.91 119.74 121.88 2wvf s LYS 137 Ca 0.07 -0.38 -0.05 0.00 0.02 0.00 0.00 55.97 55.62 2wvf s LYS 137 Cb -0.16 -3.15 -0.04 0.00 -0.52 0.00 0.00 37.83 33.97 2wvf s LYS 137 CO -0.29 0.26 0.07 -1.17 -0.92 0.00 0.00 175.35 173.30 2wvf s LEU 138 N 0.37 3.94 -0.15 3.17 2.96 -1.26 -0.59 118.68 127.12 2wvf s LEU 138 Ca 0.01 0.24 0.02 0.00 -0.22 0.00 0.00 54.13 54.18 2wvf s LEU 138 Cb -0.13 -1.95 0.02 0.00 0.50 0.00 0.00 46.19 44.62 2wvf s LEU 138 CO 0.01 0.32 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.27 2wvf s THR 139 N -0.52 1.93 -0.03 3.68 2.01 0.35 -5.00 115.64 118.07 2wvf s THR 139 Ca 0.11 -0.89 0.04 0.00 0.31 0.00 0.00 61.69 61.26 2wvf s THR 139 Cb -0.12 -1.74 -0.03 0.00 0.01 0.00 0.00 72.50 70.63 2wvf s THR 139 CO 0.02 0.52 -0.12 -0.54 -0.69 0.00 0.00 174.62 173.81 2wvf s LYS 140 N 1.06 2.49 -0.25 4.92 1.02 -1.26 -0.57 119.74 127.15 2wvf s LYS 140 Ca -0.02 -0.72 0.00 0.00 0.02 0.00 0.00 55.97 55.25 2wvf s LYS 140 Cb -0.14 -2.41 0.04 0.00 -0.52 0.00 0.00 37.83 34.79 2wvf s LYS 140 CO -0.06 0.61 -0.09 0.00 -0.92 0.00 0.00 175.35 174.89 2wvf s ALA 141 N -0.83 2.61 0.00 5.17 0.00 -0.04 -5.01 121.76 123.66 2wvf s ALA 141 Ca 0.13 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.55 2wvf s ALA 141 Cb -0.11 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.41 2wvf s ALA 141 CO 0.03 -0.90 0.00 0.43 0.00 0.00 0.00 175.76 175.32