#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wil s SER 2 N 0.00 6.68 -0.15 1.61 0.01 -1.26 -5.01 113.70 115.58 1wil s SER 2 Ca 0.00 0.69 -0.29 0.00 1.31 0.00 0.00 55.95 57.66 1wil s SER 2 Cb 0.00 -2.42 0.09 0.00 0.21 0.00 0.00 66.02 63.90 1wil s SER 2 CO 0.00 -0.64 0.81 -0.44 0.41 0.00 0.00 173.24 173.38 1wil s SER 3 N 1.62 -0.58 0.00 2.44 0.01 -1.26 -5.18 113.70 110.76 1wil s SER 3 Ca 0.33 0.81 0.00 0.00 1.31 0.00 0.00 55.95 58.41 1wil s SER 3 Cb -0.14 0.72 0.00 0.00 0.21 0.00 0.00 66.02 66.81 1wil s SER 3 CO 0.13 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 173.98 1wil n GLY 4 N 1.41 3.02 4.00 3.44 0.00 -1.26 -5.17 105.19 110.63 1wil n GLY 4 Ca -0.15 -0.85 -0.18 0.00 0.00 0.00 0.00 46.02 44.84 1wil n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wil s SER 5 N 0.00 5.45 -0.05 1.61 1.04 -1.26 -5.13 113.70 115.36 1wil s SER 5 Ca 0.00 -0.57 -0.31 0.00 0.48 0.00 0.00 55.95 55.55 1wil s SER 5 Cb 0.00 -0.39 0.12 0.00 0.10 0.00 0.00 66.02 65.85 1wil s SER 5 CO 0.00 -0.90 1.25 -0.94 0.98 0.00 0.00 173.24 173.63 1wil s SER 6 N -4.41 -0.08 0.00 7.02 1.04 -1.26 -5.07 113.70 110.94 1wil s SER 6 Ca 0.56 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.87 1wil s SER 6 Cb -0.08 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.21 1wil s SER 6 CO 0.34 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.85 1wil n GLY 7 N -0.39 2.43 0.00 7.32 0.00 -1.26 -4.86 105.19 108.43 1wil n GLY 7 Ca -0.06 -0.66 0.07 0.00 0.00 0.00 0.00 46.02 45.37 1wil n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wil n PRO 8 N 0.00 0.28 -3.60 1.61 -0.04 -1.26 -4.12 135.00 127.88 1wil n PRO 8 Ca 0.00 0.11 -0.38 0.00 -0.04 0.00 0.00 63.50 63.19 1wil n PRO 8 Cb 0.00 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 31.85 1wil n PRO 8 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1wil s ARG 9 N -2.42 3.91 -1.28 0.54 1.81 -1.26 -4.46 118.95 115.79 1wil s ARG 9 Ca 0.16 -0.34 -0.02 0.00 -1.72 0.00 0.00 55.73 53.81 1wil s ARG 9 Cb 0.10 -3.65 -0.00 0.00 -0.45 0.00 0.00 34.95 30.95 1wil s ARG 9 CO 0.21 -0.19 0.71 0.39 -0.68 0.00 0.00 175.30 175.74 1wil n GLU 10 N 5.05 -4.40 -1.17 3.54 1.02 -1.26 -4.96 120.64 118.46 1wil n GLU 10 Ca -0.14 0.61 -0.29 0.00 -0.02 0.00 0.00 57.16 57.33 1wil n GLU 10 Cb 0.52 -5.10 0.18 0.00 -0.02 0.00 0.00 31.44 27.01 1wil n GLU 10 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1wil s PRO 11 N -5.91 0.42 -0.10 3.49 0.04 -1.26 -5.06 135.00 126.62 1wil s PRO 11 Ca 0.07 0.52 -0.14 0.00 0.04 0.00 0.00 61.00 61.48 1wil s PRO 11 Cb -0.02 -1.74 0.03 0.00 0.04 0.00 0.00 34.50 32.82 1wil s PRO 11 CO 0.81 -2.74 0.36 0.08 0.04 0.00 0.00 177.00 175.56 1wil s VAL 12 N -2.96 0.02 0.25 -0.36 1.01 -1.26 -5.16 120.40 111.94 1wil s VAL 12 Ca 0.65 -0.15 -0.17 0.00 0.00 0.00 0.00 61.98 62.32 1wil s VAL 12 Cb -0.19 -0.56 -0.08 0.00 0.00 0.00 0.00 36.38 35.55 1wil s VAL 12 CO 0.58 -0.08 0.70 0.54 0.00 0.00 0.00 175.10 176.84 1wil s VAL 13 N -0.32 4.66 0.07 2.92 0.11 -1.26 -5.06 120.40 121.52 1wil s VAL 13 Ca -0.05 1.07 -0.26 0.00 -2.93 0.00 0.00 61.98 59.81 1wil s VAL 13 Cb -0.03 -3.74 0.09 0.00 -1.53 0.00 0.00 36.38 31.17 1wil s VAL 13 CO 0.02 0.05 1.18 0.21 -3.33 0.00 0.00 175.10 173.23 1wil s ASN 14 N -1.93 0.00 -0.20 3.54 3.84 -1.26 -5.06 114.94 113.87 1wil s ASN 14 Ca 0.47 -0.40 0.04 0.00 0.21 0.00 0.00 52.86 53.18 1wil s ASN 14 Cb -0.14 0.29 -0.15 0.00 -0.55 0.00 0.00 41.25 40.71 1wil s ASN 14 CO 0.19 -0.59 -0.13 -0.67 -2.79 0.00 0.00 177.10 173.11 1wil n ASP 15 N -1.12 2.13 -1.76 -4.21 2.03 -1.26 -4.53 116.55 107.83 1wil n ASP 15 Ca 0.01 -0.09 -0.05 0.00 0.52 0.00 0.00 54.79 55.18 1wil n ASP 15 Cb 0.59 -0.08 -0.07 0.00 -0.72 0.00 0.00 41.12 40.84 1wil n ASP 15 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1wil n GLU 16 N -3.00 1.32 -3.57 -0.67 2.13 -1.26 -4.65 120.64 110.94 1wil n GLU 16 Ca -0.34 -0.41 -0.39 0.00 0.66 0.00 0.00 57.16 56.68 1wil n GLU 16 Cb 0.91 -1.45 -0.11 0.00 0.27 0.00 0.00 31.44 31.07 1wil n GLU 16 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 1wil s MET 17 N 0.61 3.70 0.21 5.31 -1.94 -1.26 -4.24 119.30 121.69 1wil s MET 17 Ca 0.27 -0.50 -0.30 0.00 -1.71 0.00 0.00 55.69 53.46 1wil s MET 17 Cb 0.13 -3.71 -0.16 0.00 2.01 0.00 0.00 34.83 33.10 1wil s MET 17 CO 0.00 -0.32 0.88 0.00 -0.01 0.00 0.00 175.02 175.57 1wil n ASP 19 N 1.68 0.00 0.00 0.00 9.92 -1.07 0.14 116.55 127.22 1wil n ASP 19 Ca 0.14 -0.98 0.00 0.00 -0.53 0.00 0.00 54.79 53.43 1wil n ASP 19 Cb 0.26 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.74 1wil n ASP 19 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1wil n VAL 20 N -0.79 0.00 -0.02 2.53 0.31 -1.26 -4.84 118.33 114.25 1wil n VAL 20 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 1wil n VAL 20 Cb 0.04 -0.54 -0.06 0.00 -0.91 0.00 0.00 33.84 32.38 1wil n VAL 20 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wil n GLU 22 N -2.03 -6.32 -3.73 0.00 1.02 0.36 -4.83 120.64 105.11 1wil n GLU 22 Ca -0.07 0.74 -0.12 0.00 -0.02 0.00 0.00 57.16 57.69 1wil n GLU 22 Cb 0.48 -5.69 -0.07 0.00 -0.02 0.00 0.00 31.44 26.14 1wil n GLU 22 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1wil s VAL 23 N -3.26 0.07 0.33 2.62 -7.23 -1.26 -4.63 120.40 107.03 1wil s VAL 23 Ca 0.56 -0.56 0.01 0.00 -1.81 0.00 0.00 61.98 60.17 1wil s VAL 23 Cb -0.26 -0.85 0.01 0.00 0.56 0.00 0.00 36.38 35.84 1wil s VAL 23 CO 0.69 -0.31 0.08 -2.67 -0.31 0.00 0.00 175.10 172.58 1wil n TRP 24 N 0.78 0.22 -3.61 2.82 4.27 -1.26 -3.62 117.44 117.04 1wil n TRP 24 Ca -0.19 -1.53 -0.16 0.00 -3.89 0.00 0.00 57.50 51.73 1wil n TRP 24 Cb 0.58 -0.23 -0.07 0.00 -1.36 0.00 0.00 31.31 30.23 1wil n TRP 24 CO 0.00 0.00 0.00 0.99 -2.29 0.00 0.00 177.69 176.39 1wil s THR 25 N -2.01 0.01 0.13 -1.67 2.01 -1.26 -5.06 115.64 107.79 1wil s THR 25 Ca 0.06 -0.06 -0.25 0.00 0.31 0.00 0.00 61.69 61.75 1wil s THR 25 Cb -0.00 -0.90 -0.06 0.00 0.01 0.00 0.00 72.50 71.55 1wil s THR 25 CO 0.04 -0.03 1.29 0.00 -0.69 0.00 0.00 174.62 175.22 1wil n ALA 26 N 1.73 -0.51 -0.68 7.40 0.00 -1.26 -4.50 120.51 122.69 1wil n ALA 26 Ca -0.17 0.68 -0.27 0.00 0.00 0.00 0.00 53.44 53.68 1wil n ALA 26 Cb 0.56 -0.09 0.13 0.00 0.00 0.00 0.00 19.45 20.05 1wil n ALA 26 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1wil n GLU 27 N -4.94 -1.47 -2.40 0.00 1.02 -1.26 -4.84 120.64 106.74 1wil n GLU 27 Ca 0.02 -0.43 -0.42 0.00 -0.02 0.00 0.00 57.16 56.31 1wil n GLU 27 Cb 0.21 -1.45 -0.03 0.00 -0.02 0.00 0.00 31.44 30.15 1wil n GLU 27 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1wil s SER 28 N -1.68 7.01 0.36 1.62 1.04 -1.26 -5.01 113.70 115.77 1wil s SER 28 Ca 0.42 1.90 -0.25 0.00 0.48 0.00 0.00 55.95 58.51 1wil s SER 28 Cb -0.05 -2.56 -0.10 0.00 0.10 0.00 0.00 66.02 63.41 1wil s SER 28 CO 0.51 -0.60 0.95 -0.22 0.98 0.00 0.00 173.24 174.86 1wil s LEU 29 N 2.13 4.22 0.15 2.42 2.96 -1.26 -5.06 118.68 124.23 1wil s LEU 29 Ca 0.58 1.81 0.04 0.00 -0.22 0.00 0.00 54.13 56.34 1wil s LEU 29 Cb -0.27 -4.17 -0.04 0.00 0.50 0.00 0.00 46.19 42.22 1wil s LEU 29 CO 0.24 -0.18 0.20 -0.36 -1.32 0.00 0.00 176.35 174.93 1wil s PHE 30 N -1.77 3.31 -0.02 5.38 0.40 -1.26 -3.59 117.98 120.42 1wil s PHE 30 Ca 0.54 0.06 -0.26 0.00 -0.60 0.00 0.00 56.93 56.67 1wil s PHE 30 Cb -0.16 -1.59 -0.20 0.00 0.51 0.00 0.00 43.02 41.58 1wil s PHE 30 CO 0.21 0.52 1.24 -1.00 0.70 0.00 0.00 175.22 176.89 1wil h PRO 31 N 2.39 -0.04 -5.21 0.24 0.13 -1.86 -2.89 132.00 124.76 1wil h PRO 31 Ca -0.48 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.02 1wil h PRO 31 Cb 1.19 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.20 1wil h PRO 31 CO 0.66 0.43 -0.53 0.00 -0.23 0.00 0.00 178.00 178.33 1wil n ARG 33 N -1.12 0.76 0.00 0.00 0.00 -1.26 -4.66 116.66 110.38 1wil n ARG 33 Ca -0.14 -0.07 -0.13 0.00 -0.00 0.00 0.00 57.85 57.52 1wil n ARG 33 Cb 0.66 -1.22 -0.10 0.00 -0.00 0.00 0.00 32.46 31.81 1wil n ARG 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1wil h VAL 34 N 0.00 1.30 -1.43 8.89 2.07 -1.96 -3.43 116.25 121.69 1wil h VAL 34 Ca -0.05 -1.25 -0.64 0.00 0.82 0.00 0.00 66.70 65.58 1wil h VAL 34 Cb 0.64 2.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 1wil h VAL 34 CO 0.00 0.31 1.43 0.00 0.02 0.00 0.00 177.57 179.33 1wil n THR 36 N 7.28 -0.41 -2.41 0.00 -2.24 -1.26 -3.97 114.28 111.27 1wil n THR 36 Ca 0.37 1.56 -0.43 0.00 -2.27 0.00 0.00 64.05 63.28 1wil n THR 36 Cb 0.30 -1.97 -0.02 0.00 -2.10 0.00 0.00 70.33 66.54 1wil n THR 36 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wil s ARG 37 N -5.43 4.29 -0.02 -0.78 1.70 -1.26 -4.52 118.95 112.92 1wil s ARG 37 Ca -0.08 1.71 0.05 0.00 -0.47 0.00 0.00 55.73 56.94 1wil s ARG 37 Cb 0.09 -3.66 -0.03 0.00 -0.57 0.00 0.00 34.95 30.79 1wil s ARG 37 CO 0.43 -0.58 -0.17 0.14 -1.08 0.00 0.00 175.30 174.04 1wil s VAL 38 N 2.83 2.87 -0.20 4.99 -7.23 -1.25 -4.94 120.40 117.47 1wil s VAL 38 Ca 0.57 -0.89 -0.05 0.00 -1.81 0.00 0.00 61.98 59.80 1wil s VAL 38 Cb -0.24 -2.13 0.10 0.00 0.56 0.00 0.00 36.38 34.67 1wil s VAL 38 CO 0.19 0.52 0.37 0.72 -0.31 0.00 0.00 175.10 176.60 1wil s PHE 39 N -0.77 -0.73 -0.31 2.82 -0.71 -1.11 -2.60 117.98 114.57 1wil s PHE 39 Ca 0.12 1.15 -0.39 0.00 -1.04 0.00 0.00 56.93 56.77 1wil s PHE 39 Cb -0.10 0.13 -0.15 0.00 -1.21 0.00 0.00 43.02 41.69 1wil s PHE 39 CO 0.02 -0.55 1.90 0.72 -1.34 0.00 0.00 175.22 175.97 1wil n HIS 40 N 5.37 1.88 -0.44 3.49 8.25 -1.11 -2.66 115.22 130.02 1wil n HIS 40 Ca -0.06 0.46 0.37 0.00 -0.26 0.00 0.00 57.72 58.23 1wil n HIS 40 Cb 0.50 -2.48 0.65 0.00 1.12 0.00 0.00 29.99 29.78 1wil n HIS 40 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 1wil h ASP 41 N 8.83 0.25 0.39 0.41 3.58 -1.97 0.79 116.42 128.69 1wil h ASP 41 Ca -0.39 0.16 -0.02 0.00 0.42 0.00 0.00 57.03 57.21 1wil h ASP 41 Cb 1.32 0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.53 1wil h ASP 41 CO 0.99 -0.24 -0.19 1.23 -2.88 0.00 0.00 179.24 178.15 1wil h GLY 42 N 0.06 -0.55 -1.29 -0.78 0.00 -1.95 -3.14 103.07 95.42 1wil h GLY 42 Ca 0.84 0.20 0.45 0.00 0.00 0.00 0.00 47.33 48.83 1wil h GLY 42 CO -0.49 -0.20 0.82 0.00 0.00 0.00 0.00 176.54 176.68 1wil h LEU 44 N 0.00 -0.26 -1.27 0.00 3.38 -1.47 -0.17 115.31 115.53 1wil h LEU 44 Ca 0.84 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 58.56 1wil h LEU 44 Cb 2.67 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 43.47 1wil h LEU 44 CO -0.47 0.06 -0.10 0.08 0.09 0.00 0.00 178.44 178.10 1wil h ARG 45 N -0.60 0.37 0.27 1.13 0.11 0.27 0.28 114.38 116.21 1wil h ARG 45 Ca -0.03 -0.09 -0.01 0.00 0.10 0.00 0.00 59.98 59.94 1wil h ARG 45 Cb 0.44 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.47 1wil h ARG 45 CO 0.05 0.49 -0.13 -0.09 0.10 0.00 0.00 179.97 180.39 1wil h ARG 46 N 0.35 -0.35 -0.51 0.08 1.12 -0.51 -3.32 114.38 111.24 1wil h ARG 46 Ca 0.07 0.02 0.07 0.00 -1.11 0.00 0.00 59.98 59.04 1wil h ARG 46 Cb 0.40 0.08 -0.06 0.00 -0.01 0.00 0.00 29.97 30.38 1wil h ARG 46 CO 0.02 -0.23 0.18 0.52 -3.11 0.00 0.00 179.97 177.35 1wil h MET 47 N -0.56 0.34 0.00 0.20 2.86 -1.06 -3.47 114.93 113.24 1wil h MET 47 Ca -0.04 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1wil h MET 47 Cb 0.28 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1wil h MET 47 CO 0.06 0.23 0.00 0.41 1.06 0.00 0.00 176.91 178.67 1wil n GLY 48 N -1.27 0.41 0.82 8.32 0.00 0.01 -5.09 105.19 108.38 1wil n GLY 48 Ca 0.06 -0.75 -0.02 0.00 0.00 0.00 0.00 46.02 45.31 1wil n GLY 48 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wil n TYR 49 N 0.00 0.00 0.08 1.61 4.01 0.76 -4.82 117.16 118.80 1wil n TYR 49 Ca 0.00 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.85 1wil n TYR 49 Cb 0.00 -0.10 -0.07 0.00 -0.31 0.00 0.00 39.34 38.87 1wil n TYR 49 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84 1wil n ILE 50 N -3.53 0.35 -5.08 -0.72 -5.35 -1.25 -4.87 119.36 98.92 1wil n ILE 50 Ca -0.03 -0.52 -0.32 0.00 -0.27 0.00 0.00 62.75 61.62 1wil n ILE 50 Cb 0.10 -0.18 -0.17 0.00 -1.74 0.00 0.00 39.64 37.66 1wil n ILE 50 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 1wil s GLN 51 N -3.42 3.09 0.00 6.28 -0.44 -1.26 -4.99 119.66 118.92 1wil s GLN 51 Ca -0.03 -0.85 0.00 0.00 -2.50 0.00 0.00 55.36 51.98 1wil s GLN 51 Cb 0.12 -2.37 0.00 0.00 -1.64 0.00 0.00 33.01 29.12 1wil s GLN 51 CO 0.84 0.15 0.00 0.41 0.50 0.00 0.00 175.29 177.19 1wil n GLY 52 N 3.61 2.69 1.99 2.59 0.00 -1.26 -4.43 105.19 110.37 1wil n GLY 52 Ca -0.19 -0.35 -0.15 0.00 0.00 0.00 0.00 46.02 45.33 1wil n GLY 52 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wil n ASP 53 N 0.00 5.97 -3.64 1.61 5.68 -1.26 -4.77 116.55 120.13 1wil n ASP 53 Ca 0.00 -2.84 -0.04 0.00 -0.50 0.00 0.00 54.79 51.42 1wil n ASP 53 Cb 0.00 -1.20 -0.07 0.00 -1.14 0.00 0.00 41.12 38.72 1wil n ASP 53 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1wil s SER 54 N 1.01 -0.26 0.26 -1.12 0.15 -1.26 -5.19 113.70 107.29 1wil s SER 54 Ca 0.40 0.46 -0.21 0.00 0.70 0.00 0.00 55.95 57.30 1wil s SER 54 Cb 0.24 0.71 0.05 0.00 -1.71 0.00 0.00 66.02 65.31 1wil s SER 54 CO -0.06 -0.08 0.86 0.00 1.20 0.00 0.00 173.24 175.16 1wil s ALA 55 N 0.53 -1.27 -0.07 5.45 0.00 -1.26 -4.88 121.76 120.25 1wil s ALA 55 Ca 0.00 -0.32 -0.30 0.00 0.00 0.00 0.00 51.96 51.34 1wil s ALA 55 Cb -0.04 0.73 0.11 0.00 0.00 0.00 0.00 23.12 23.92 1wil s ALA 55 CO -0.12 -1.03 0.96 0.00 0.00 0.00 0.00 175.76 175.57 1wil s ALA 56 N -3.03 -1.89 -1.06 0.00 0.00 -1.26 -5.09 121.76 109.44 1wil s ALA 56 Ca 0.14 1.26 -0.20 0.00 0.00 0.00 0.00 51.96 53.16 1wil s ALA 56 Cb -0.04 0.02 0.08 0.00 0.00 0.00 0.00 23.12 23.19 1wil s ALA 56 CO 0.07 -0.57 1.41 -1.21 0.00 0.00 0.00 175.76 175.46 1wil s GLU 57 N -2.45 3.70 -0.00 0.00 2.02 -1.26 -4.96 118.70 115.75 1wil s GLU 57 Ca 0.04 -1.55 0.04 0.00 0.02 0.00 0.00 54.97 53.51 1wil s GLU 57 Cb -0.01 -5.25 -0.01 0.00 0.10 0.00 0.00 34.13 28.96 1wil s GLU 57 CO -0.05 -2.06 -0.13 0.14 0.02 0.00 0.00 175.26 173.17 1wil s VAL 58 N 3.96 1.01 -0.34 2.63 -7.23 -1.26 -5.03 120.40 114.14 1wil s VAL 58 Ca 0.43 -0.61 -0.29 0.00 -1.81 0.00 0.00 61.98 59.70 1wil s VAL 58 Cb -0.01 -0.86 0.00 0.00 0.56 0.00 0.00 36.38 36.08 1wil s VAL 58 CO -0.06 0.23 1.35 0.28 -0.31 0.00 0.00 175.10 176.59 1wil s THR 59 N -0.39 4.04 -0.96 5.32 -1.32 -1.26 -4.96 115.64 116.11 1wil s THR 59 Ca 0.04 1.13 -0.06 0.00 -1.21 0.00 0.00 61.69 61.60 1wil s THR 59 Cb -0.05 -4.17 0.24 0.00 -1.51 0.00 0.00 72.50 67.00 1wil s THR 59 CO -0.00 -0.59 0.89 -0.70 -2.21 0.00 0.00 174.62 172.01 1wil s GLU 60 N 4.48 3.63 -0.28 7.08 2.12 -1.26 -5.03 118.70 129.44 1wil s GLU 60 Ca 0.58 -3.16 -0.09 0.00 0.36 0.00 0.00 54.97 52.66 1wil s GLU 60 Cb -0.15 -4.21 -0.03 0.00 0.26 0.00 0.00 34.13 30.00 1wil s GLU 60 CO 0.27 -1.25 0.14 1.41 -0.54 0.00 0.00 175.26 175.29 1wil s MET 61 N -1.15 3.62 -0.39 4.30 -2.45 -1.26 -4.98 119.30 116.99 1wil s MET 61 Ca 0.28 -0.52 -0.03 0.00 -1.25 0.00 0.00 55.69 54.17 1wil s MET 61 Cb -0.09 -3.51 0.13 0.00 1.25 0.00 0.00 34.83 32.60 1wil s MET 61 CO -0.10 -0.27 2.45 0.00 1.05 0.00 0.00 175.02 178.14 1wil n ALA 62 N 4.99 5.87 0.00 4.11 0.00 -1.26 -4.06 120.51 130.16 1wil n ALA 62 Ca -0.15 -2.42 0.00 0.00 0.00 0.00 0.00 53.44 50.88 1wil n ALA 62 Cb 0.51 -1.80 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1wil n ALA 62 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1wil n HIS 63 N 0.64 0.00 -0.67 0.00 -0.00 -1.26 -4.66 115.22 109.27 1wil n HIS 63 Ca 0.41 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.84 1wil n HIS 63 Cb 0.58 0.23 0.15 0.00 -0.00 0.00 0.00 29.99 30.94 1wil n HIS 63 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 1wil n THR 64 N -2.70 0.00 -0.22 3.57 -2.24 -1.26 -4.68 114.28 106.75 1wil n THR 64 Ca 0.00 -0.18 0.03 0.00 -2.27 0.00 0.00 64.05 61.63 1wil n THR 64 Cb 0.25 -0.48 0.14 0.00 -2.10 0.00 0.00 70.33 68.14 1wil n THR 64 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1wil h GLU 65 N -2.11 0.31 -1.94 -0.78 4.81 -1.99 -1.10 114.58 111.79 1wil h GLU 65 Ca -0.43 -0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 58.61 1wil h GLU 65 Cb 1.19 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 30.44 1wil h GLU 65 CO 0.29 0.20 -0.05 -2.37 -0.73 0.00 0.00 179.01 176.36 1wil n THR 66 N -5.09 2.62 -0.73 0.32 5.66 -1.26 -4.95 114.28 110.84 1wil n THR 66 Ca 0.11 -1.30 -0.33 0.00 -3.05 0.00 0.00 64.05 59.49 1wil n THR 66 Cb 0.37 -1.68 0.15 0.00 -1.55 0.00 0.00 70.33 67.62 1wil n THR 66 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1wil n GLY 67 N 1.66 -2.21 3.59 1.09 0.00 -0.42 -4.92 105.19 103.98 1wil n GLY 67 Ca 0.25 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 1wil n GLY 67 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1wil s TRP 68 N -2.33 3.18 -0.43 1.61 -0.11 -1.26 -5.00 118.94 114.61 1wil s TRP 68 Ca 0.57 0.52 -0.16 0.00 1.22 0.00 0.00 56.10 58.25 1wil s TRP 68 Cb -0.17 -3.09 0.03 0.00 -1.50 0.00 0.00 33.47 28.73 1wil s TRP 68 CO 0.67 -0.55 0.39 -1.54 -4.62 0.00 0.00 176.95 171.30 1wil s SER 69 N 1.70 6.16 1.05 5.86 1.04 -1.26 -4.80 113.70 123.46 1wil s SER 69 Ca 0.26 -0.82 -0.15 0.00 0.48 0.00 0.00 55.95 55.72 1wil s SER 69 Cb -0.15 -2.20 0.12 0.00 0.10 0.00 0.00 66.02 63.90 1wil s SER 69 CO 0.13 -0.55 0.45 0.00 0.98 0.00 0.00 173.24 174.25 1wil n HIS 71 N -4.25 -0.12 0.29 0.00 8.25 -1.26 -0.92 115.22 117.21 1wil n HIS 71 Ca 0.04 0.35 -0.18 0.00 -0.26 0.00 0.00 57.72 57.67 1wil n HIS 71 Cb 0.57 -0.43 -0.09 0.00 1.12 0.00 0.00 29.99 31.16 1wil n HIS 71 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 1wil h TYR 72 N 0.00 -1.29 -0.54 4.41 0.05 -2.04 -3.44 116.97 114.12 1wil h TYR 72 Ca 0.04 0.01 -0.35 0.00 0.05 0.00 0.00 58.73 58.48 1wil h TYR 72 Cb 0.11 0.50 0.06 0.00 1.01 0.00 0.00 36.73 38.41 1wil h TYR 72 CO -0.67 -0.64 -0.29 0.00 -1.05 0.00 0.00 178.16 175.51 1wil n ASP 74 N 1.05 -5.13 -4.81 0.00 8.00 -1.26 -4.66 116.55 109.74 1wil n ASP 74 Ca 0.09 0.32 -0.38 0.00 0.71 0.00 0.00 54.79 55.53 1wil n ASP 74 Cb 0.14 -0.82 -0.06 0.00 -0.02 0.00 0.00 41.12 40.36 1wil n ASP 74 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1wil s ASN 75 N -1.06 6.82 0.35 -2.24 2.47 -1.26 -4.81 114.94 115.21 1wil s ASN 75 Ca 0.46 0.98 0.07 0.00 0.42 0.00 0.00 52.86 54.79 1wil s ASN 75 Cb -0.27 -2.27 -0.02 0.00 -1.45 0.00 0.00 41.25 37.24 1wil s ASN 75 CO 0.77 0.26 0.38 0.27 -3.72 0.00 0.00 177.10 175.06 1wil s ILE 76 N -0.77 3.60 -0.32 -5.21 -4.36 -1.26 -5.09 121.20 107.78 1wil s ILE 76 Ca 0.25 -1.21 -0.15 0.00 -0.26 0.00 0.00 60.65 59.27 1wil s ILE 76 Cb -0.17 -3.23 -0.02 0.00 1.25 0.00 0.00 42.46 40.29 1wil s ILE 76 CO 0.14 -0.14 0.38 0.21 0.24 0.00 0.00 174.94 175.76 1wil s ASN 77 N -4.09 6.21 -0.62 4.36 2.47 -1.26 -5.02 114.94 116.98 1wil s ASN 77 Ca 0.44 -0.07 -0.27 0.00 0.42 0.00 0.00 52.86 53.38 1wil s ASN 77 Cb -0.07 -2.21 0.00 0.00 -1.45 0.00 0.00 41.25 37.52 1wil s ASN 77 CO 0.29 -0.31 1.60 -0.22 -3.72 0.00 0.00 177.10 174.73 1wil s LEU 78 N 2.07 3.29 -0.36 3.21 0.20 -1.26 -4.96 118.68 120.87 1wil s LEU 78 Ca 0.13 0.15 -0.05 0.00 0.69 0.00 0.00 54.13 55.05 1wil s LEU 78 Cb -0.16 -2.70 0.06 0.00 -0.43 0.00 0.00 46.19 42.96 1wil s LEU 78 CO 0.11 -2.05 0.13 -0.22 -0.29 0.00 0.00 176.35 174.04 1wil s LEU 79 N 7.37 4.57 0.00 -0.68 2.96 -1.26 -5.09 118.68 126.55 1wil s LEU 79 Ca 0.55 -1.43 -0.13 0.00 -0.22 0.00 0.00 54.13 52.91 1wil s LEU 79 Cb -0.11 -1.84 -0.05 0.00 0.50 0.00 0.00 46.19 44.68 1wil s LEU 79 CO 0.21 -0.40 0.38 -1.48 -1.32 0.00 0.00 176.35 173.74 1wil s LEU 80 N 1.32 4.44 -0.30 -0.68 2.34 -1.26 -5.07 118.68 119.47 1wil s LEU 80 Ca 0.00 0.87 -0.07 0.00 0.06 0.00 0.00 54.13 54.99 1wil s LEU 80 Cb -0.21 -2.60 0.18 0.00 -0.56 0.00 0.00 46.19 43.00 1wil s LEU 80 CO 0.00 0.31 0.84 -0.89 -1.06 0.00 0.00 176.35 175.55 1wil s THR 81 N -1.14 -0.64 -1.06 5.48 2.01 -1.26 -4.95 115.64 114.09 1wil s THR 81 Ca 0.25 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 62.19 1wil s THR 81 Cb -0.16 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.36 1wil s THR 81 CO 0.13 0.00 0.67 1.21 -0.69 0.00 0.00 174.62 175.94 1wil n GLU 82 N 5.45 -4.79 -1.31 4.92 2.13 -1.26 -4.82 120.64 120.96 1wil n GLU 82 Ca -0.04 0.63 -0.54 0.00 0.66 0.00 0.00 57.16 57.88 1wil n GLU 82 Cb 0.52 -4.99 -0.09 0.00 0.27 0.00 0.00 31.44 27.16 1wil n GLU 82 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1wil n GLU 83 N -3.49 0.00 -3.97 5.31 2.13 -1.26 -4.91 120.64 114.45 1wil n GLU 83 Ca -0.03 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.69 1wil n GLU 83 Cb 0.56 -1.22 -0.08 0.00 0.27 0.00 0.00 31.44 30.98 1wil n GLU 83 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1wil s SER 84 N 3.14 0.12 -0.34 4.31 1.04 -1.26 -5.14 113.70 115.57 1wil s SER 84 Ca 0.89 -0.88 -0.04 0.00 0.48 0.00 0.00 55.95 56.40 1wil s SER 84 Cb -1.22 0.38 0.19 0.00 0.10 0.00 0.00 66.02 65.47 1wil s SER 84 CO 0.63 -0.82 0.89 -0.83 0.98 0.00 0.00 173.24 174.09 1wil s GLY 85 N -2.96 -1.31 1.17 7.32 0.00 -1.26 -5.17 107.32 105.11 1wil s GLY 85 Ca 0.15 1.17 -0.18 0.00 0.00 0.00 0.00 44.72 45.86 1wil s GLY 85 CO -0.02 4.04 1.11 2.56 0.00 0.00 0.00 173.10 180.78 1wil s PRO 86 N 2.25 -0.98 0.45 2.90 0.04 -1.26 -5.09 135.00 133.31 1wil s PRO 86 Ca 0.17 0.03 0.06 0.00 0.04 0.00 0.00 61.00 61.30 1wil s PRO 86 Cb -0.01 -1.62 -0.04 0.00 0.04 0.00 0.00 34.50 32.88 1wil s PRO 86 CO -0.16 -3.57 0.17 -1.12 0.04 0.00 0.00 177.00 172.36 1wil s SER 87 N -3.81 4.36 0.37 6.66 0.01 -1.26 -5.07 113.70 114.96 1wil s SER 87 Ca 0.70 -1.22 0.05 0.00 1.31 0.00 0.00 55.95 56.79 1wil s SER 87 Cb -0.11 -0.18 -0.03 0.00 0.21 0.00 0.00 66.02 65.91 1wil s SER 87 CO 0.56 -0.67 0.20 -0.94 0.41 0.00 0.00 173.24 172.80 1wil s SER 88 N -3.94 2.21 0.00 2.44 1.04 -1.26 -5.28 113.70 108.91 1wil s SER 88 Ca 0.34 -1.71 0.00 0.00 0.48 0.00 0.00 55.95 55.06 1wil s SER 88 Cb 0.03 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.69 1wil s SER 88 CO 0.19 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 174.02