#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 6.48 0.31 1.61 0.01 -1.26 -5.05 113.70 115.81 1wil s SER 2 Ca 0.00 0.57 -0.26 0.00 1.31 0.00 0.00 55.95 57.57 1wil s SER 2 Cb 0.00 -2.10 -0.14 0.00 0.21 0.00 0.00 66.02 63.99 1wil s SER 2 CO 0.00 0.36 0.75 -1.54 0.41 0.00 0.00 173.24 173.22 1wil n SER 3 N 1.76 0.03 0.00 2.44 3.41 -1.26 -4.77 113.62 115.22 1wil n SER 3 Ca -0.17 1.08 0.00 0.00 -0.26 0.00 0.00 58.87 59.52 1wil n SER 3 Cb 0.54 -1.16 0.00 0.00 -0.26 0.00 0.00 64.21 63.33 1wil n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wil n GLY 4 N 1.57 0.59 2.80 5.00 0.00 -1.26 -4.97 105.19 108.92 1wil n GLY 4 Ca 0.12 -2.31 -0.30 0.00 0.00 0.00 0.00 46.02 43.53 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 -1.80 3.96 -0.11 1.61 1.04 -1.26 -5.08 113.70 112.07 1wil s SER 5 Ca 0.00 -2.58 -0.06 0.00 0.48 0.00 0.00 55.95 53.79 1wil s SER 5 Cb 0.00 -1.22 0.04 0.00 0.10 0.00 0.00 66.02 64.94 1wil s SER 5 CO 0.00 -0.28 0.25 -0.44 0.98 0.00 0.00 173.24 173.75 1wil s SER 6 N 0.37 -0.27 0.00 7.02 0.01 -1.26 -5.03 113.70 114.54 1wil s SER 6 Ca 0.16 0.54 0.00 0.00 1.31 0.00 0.00 55.95 57.96 1wil s SER 6 Cb -0.24 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.43 1wil s SER 6 CO -0.03 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.07 1wil n GLY 7 N 4.06 -0.61 0.00 3.44 0.00 -1.26 -4.96 105.19 105.87 1wil n GLY 7 Ca -0.24 -0.63 0.08 0.00 0.00 0.00 0.00 46.02 45.24 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 0.45 -4.07 1.61 -0.04 -1.26 -4.63 135.00 127.06 1wil n PRO 8 Ca 0.00 0.02 -0.35 0.00 -0.04 0.00 0.00 63.50 63.13 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 0.50 -0.04 0.00 0.00 175.50 175.96 1wil s ARG 9 N -2.08 3.77 -0.28 0.54 3.52 -1.26 -5.09 118.95 118.07 1wil s ARG 9 Ca 0.22 -0.45 -0.10 0.00 -0.13 0.00 0.00 55.73 55.28 1wil s ARG 9 Cb 0.11 -3.14 -0.03 0.00 -1.56 0.00 0.00 34.95 30.33 1wil s ARG 9 CO 0.19 0.12 0.15 -1.21 -0.81 0.00 0.00 175.30 173.74 1wil s GLU 10 N 0.75 3.67 -0.24 5.12 0.41 -1.26 -4.91 118.70 122.24 1wil s GLU 10 Ca 0.02 -0.50 -0.29 0.00 -0.41 0.00 0.00 54.97 53.79 1wil s GLU 10 Cb -0.14 -3.55 -0.02 0.00 -1.78 0.00 0.00 34.13 28.64 1wil s GLU 10 CO 0.02 -0.27 1.62 -1.25 -0.49 0.00 0.00 175.26 174.89 1wil s PRO 11 N 1.68 3.75 -0.50 0.39 0.04 -1.26 -4.90 135.00 134.20 1wil s PRO 11 Ca 0.06 1.61 0.03 0.00 0.04 0.00 0.00 61.00 62.75 1wil s PRO 11 Cb -0.16 -4.05 0.43 0.00 0.04 0.00 0.00 34.50 30.76 1wil s PRO 11 CO 0.08 -1.34 1.46 0.28 0.04 0.00 0.00 177.00 177.51 1wil n VAL 12 N 6.51 2.86 -3.67 -0.36 0.31 -1.26 -4.95 118.33 117.76 1wil n VAL 12 Ca 0.19 -4.22 -0.17 0.00 -0.01 0.00 0.00 64.34 60.13 1wil n VAL 12 Cb 0.45 -1.20 -0.16 0.00 -0.91 0.00 0.00 33.84 32.03 1wil n VAL 12 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1wil s VAL 13 N -5.01 -0.26 0.00 2.52 -7.23 -1.26 -5.01 120.40 104.15 1wil s VAL 13 Ca 0.53 0.35 0.00 0.00 -1.81 0.00 0.00 61.98 61.05 1wil s VAL 13 Cb 0.43 -0.30 0.00 0.00 0.56 0.00 0.00 36.38 37.07 1wil s VAL 13 CO -0.11 0.15 0.00 0.59 -0.31 0.00 0.00 175.10 175.41 1wil n ASN 14 N 5.30 0.65 0.03 4.85 3.02 -1.26 -4.85 115.26 123.00 1wil n ASN 14 Ca -0.05 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.38 1wil n ASN 14 Cb 0.50 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 1wil n ASN 14 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1wil h ASP 15 N 0.00 0.61 -2.18 6.41 5.19 -1.99 -3.40 116.42 121.07 1wil h ASP 15 Ca 0.00 -0.40 -0.60 0.00 -0.62 0.00 0.00 57.03 55.40 1wil h ASP 15 Cb 0.33 -0.18 -0.12 0.00 0.18 0.00 0.00 39.33 39.54 1wil h ASP 15 CO 0.00 1.16 0.97 -1.83 -3.12 0.00 0.00 179.24 176.41 1wil s GLU 16 N -3.65 3.32 -0.00 3.56 -1.05 -1.26 -4.93 118.70 114.69 1wil s GLU 16 Ca -0.07 -0.86 0.00 0.00 -0.15 0.00 0.00 54.97 53.89 1wil s GLU 16 Cb 0.10 -4.58 0.00 0.00 -0.44 0.00 0.00 34.13 29.21 1wil s GLU 16 CO 0.86 -2.00 0.00 -1.64 0.95 0.00 0.00 175.26 173.43 1wil s MET 17 N 4.57 0.00 0.22 -4.83 1.00 -1.26 -4.76 119.30 114.24 1wil s MET 17 Ca 0.33 0.01 -0.32 0.00 0.00 0.00 0.00 55.69 55.72 1wil s MET 17 Cb -0.08 -0.02 -0.14 0.00 0.00 0.00 0.00 34.83 34.59 1wil s MET 17 CO 0.04 -0.01 1.29 0.00 0.00 0.00 0.00 175.02 176.34 1wil n ASP 19 N 2.02 0.00 0.00 0.00 8.00 -1.23 0.15 116.55 125.49 1wil n ASP 19 Ca 0.13 -1.09 0.00 0.00 0.71 0.00 0.00 54.79 54.53 1wil n ASP 19 Cb 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 1wil n ASP 19 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1wil n VAL 20 N -0.80 0.00 -0.01 2.53 0.31 -1.26 -4.82 118.33 114.28 1wil n VAL 20 Ca 0.11 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.45 1wil n VAL 20 Cb 0.05 -0.46 -0.04 0.00 -0.91 0.00 0.00 33.84 32.48 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 -1.85 -4.28 -4.18 0.00 1.02 0.39 -4.87 120.64 106.89 1wil n GLU 22 Ca -0.03 0.66 -0.12 0.00 -0.02 0.00 0.00 57.16 57.65 1wil n GLU 22 Cb 0.30 -5.45 -0.09 0.00 -0.02 0.00 0.00 31.44 26.18 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 -3.07 0.00 0.34 2.62 -7.23 -1.26 -4.72 120.40 107.09 1wil s VAL 23 Ca 0.39 -1.92 0.04 0.00 -1.81 0.00 0.00 61.98 58.68 1wil s VAL 23 Cb -0.19 -2.46 -0.06 0.00 0.56 0.00 0.00 36.38 34.23 1wil s VAL 23 CO 0.48 0.00 0.07 -1.66 -0.31 0.00 0.00 175.10 173.69 1wil s TRP 24 N -4.12 1.91 -0.00 2.82 1.48 -1.26 -3.30 118.94 116.47 1wil s TRP 24 Ca 0.37 -1.03 -0.04 0.00 -1.06 0.00 0.00 56.10 54.34 1wil s TRP 24 Cb 0.06 -1.25 -0.00 0.00 -1.16 0.00 0.00 33.47 31.11 1wil s TRP 24 CO 0.12 -0.06 0.07 0.95 -4.06 0.00 0.00 176.95 173.98 1wil s THR 25 N -3.30 0.07 0.41 0.66 -4.23 -1.26 -5.03 115.64 102.96 1wil s THR 25 Ca 0.34 -0.55 0.25 0.00 -1.18 0.00 0.00 61.69 60.55 1wil s THR 25 Cb 0.07 -0.29 0.43 0.00 1.34 0.00 0.00 72.50 74.06 1wil s THR 25 CO 0.15 -0.30 1.64 0.00 -0.54 0.00 0.00 174.62 175.57 1wil h ALA 26 N 4.91 2.48 -2.04 3.99 0.00 -2.05 -3.40 119.26 123.14 1wil h ALA 26 Ca -0.29 0.14 -0.41 0.00 0.00 0.00 0.00 54.91 54.34 1wil h ALA 26 Cb 1.20 0.19 0.19 0.00 0.00 0.00 0.00 17.79 19.38 1wil h ALA 26 CO 0.42 -1.10 0.10 -1.21 0.00 0.00 0.00 179.25 177.46 1wil s GLU 27 N -5.41 -1.32 0.25 0.00 2.02 -1.26 -4.96 118.70 108.03 1wil s GLU 27 Ca -0.08 0.04 -0.30 0.00 0.02 0.00 0.00 54.97 54.65 1wil s GLU 27 Cb 0.30 -1.58 -0.10 0.00 0.10 0.00 0.00 34.13 32.86 1wil s GLU 27 CO 0.81 -3.79 1.33 -1.54 0.02 0.00 0.00 175.26 172.08 1wil s SER 28 N -3.71 6.83 -0.47 -0.19 1.04 -1.26 -4.98 113.70 110.94 1wil s SER 28 Ca 0.70 2.54 -0.17 0.00 0.48 0.00 0.00 55.95 59.50 1wil s SER 28 Cb -0.11 -2.62 0.06 0.00 0.10 0.00 0.00 66.02 63.44 1wil s SER 28 CO 0.57 -0.55 0.45 -0.22 0.98 0.00 0.00 173.24 174.47 1wil s LEU 29 N -0.71 5.35 0.41 2.42 2.96 -1.26 -4.99 118.68 122.85 1wil s LEU 29 Ca 0.54 -1.13 -0.17 0.00 -0.22 0.00 0.00 54.13 53.16 1wil s LEU 29 Cb -0.38 -2.27 -0.09 0.00 0.50 0.00 0.00 46.19 43.95 1wil s LEU 29 CO 0.44 -0.69 0.87 -0.36 -1.32 0.00 0.00 176.35 175.29 1wil s PHE 30 N 1.95 3.38 0.19 5.38 0.08 -1.26 -4.35 117.98 123.35 1wil s PHE 30 Ca 0.08 1.39 -0.03 0.00 0.12 0.00 0.00 56.93 58.48 1wil s PHE 30 Cb -0.22 -2.69 0.05 0.00 -0.57 0.00 0.00 43.02 39.59 1wil s PHE 30 CO 0.09 -0.10 0.17 -0.35 -0.10 0.00 0.00 175.22 174.93 1wil n PRO 31 N -0.84 -1.35 -0.78 0.24 -0.04 -1.24 -1.66 135.00 129.32 1wil n PRO 31 Ca 0.05 -0.27 -0.28 0.00 -0.04 0.00 0.00 63.50 62.96 1wil n PRO 31 Cb 0.54 -0.26 0.09 0.00 -0.04 0.00 0.00 33.50 33.83 1wil n PRO 31 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wil h ARG 33 N -1.76 -0.10 -0.40 0.00 2.43 -1.97 -3.29 114.38 109.28 1wil h ARG 33 Ca -0.35 0.01 0.15 0.00 -0.81 0.00 0.00 59.98 58.97 1wil h ARG 33 Cb 1.07 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.57 1wil h ARG 33 CO 0.22 0.45 0.13 0.28 -1.51 0.00 0.00 179.97 179.54 1wil n VAL 34 N -4.82 -0.17 -2.80 0.20 0.31 -1.26 -2.62 118.33 107.17 1wil n VAL 34 Ca -0.08 0.85 -0.43 0.00 -0.01 0.00 0.00 64.34 64.67 1wil n VAL 34 Cb 0.30 -1.32 -0.03 0.00 -0.91 0.00 0.00 33.84 31.88 1wil n VAL 34 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wil n THR 36 N 5.98 -0.27 -1.82 0.00 5.66 -1.08 -4.04 114.28 118.71 1wil n THR 36 Ca 0.27 1.37 -0.43 0.00 -3.05 0.00 0.00 64.05 62.21 1wil n THR 36 Cb 0.50 -2.14 -0.03 0.00 -1.55 0.00 0.00 70.33 67.11 1wil n THR 36 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wil s ARG 37 N -5.21 3.48 -0.16 1.09 1.70 -1.26 -4.70 118.95 113.89 1wil s ARG 37 Ca -0.07 1.90 -0.02 0.00 -0.47 0.00 0.00 55.73 57.07 1wil s ARG 37 Cb 0.21 -4.23 -0.02 0.00 -0.57 0.00 0.00 34.95 30.35 1wil s ARG 37 CO 0.51 -1.70 -0.09 0.14 -1.08 0.00 0.00 175.30 173.09 1wil s VAL 38 N 6.72 3.31 -0.16 4.99 -7.23 -1.26 -4.45 120.40 122.33 1wil s VAL 38 Ca 0.88 -0.55 -0.08 0.00 -1.81 0.00 0.00 61.98 60.42 1wil s VAL 38 Cb -0.30 -2.44 0.06 0.00 0.56 0.00 0.00 36.38 34.26 1wil s VAL 38 CO 0.34 0.49 0.36 0.72 -0.31 0.00 0.00 175.10 176.70 1wil s PHE 39 N 0.69 -0.55 -0.57 2.82 -0.12 -0.66 -3.29 117.98 116.30 1wil s PHE 39 Ca -0.04 1.18 -0.28 0.00 -0.05 0.00 0.00 56.93 57.73 1wil s PHE 39 Cb -0.15 0.19 -0.11 0.00 -0.63 0.00 0.00 43.02 42.33 1wil s PHE 39 CO 0.02 -0.34 2.44 0.72 -0.05 0.00 0.00 175.22 178.01 1wil n HIS 40 N 4.53 1.30 -0.37 3.49 8.25 -1.25 -3.73 115.22 127.44 1wil n HIS 40 Ca -0.20 0.18 0.30 0.00 -0.26 0.00 0.00 57.72 57.74 1wil n HIS 40 Cb 0.53 -2.58 0.49 0.00 1.12 0.00 0.00 29.99 29.56 1wil n HIS 40 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1wil n ASP 41 N 13.75 0.11 0.11 0.41 -0.08 -1.26 0.96 116.55 130.55 1wil n ASP 41 Ca 0.43 0.88 -0.11 0.00 -1.51 0.00 0.00 54.79 54.49 1wil n ASP 41 Cb 0.39 -0.44 -0.07 0.00 2.34 0.00 0.00 41.12 43.34 1wil n ASP 41 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1wil h GLY 42 N 0.00 -0.36 -0.92 0.27 0.00 -1.97 -3.22 103.07 96.85 1wil h GLY 42 Ca 0.62 0.13 0.40 0.00 0.00 0.00 0.00 47.33 48.48 1wil h GLY 42 CO -0.24 -0.13 0.56 0.00 0.00 0.00 0.00 176.54 176.73 1wil h LEU 44 N 0.06 0.44 -0.15 0.00 3.38 -1.53 0.30 115.31 117.81 1wil h LEU 44 Ca 0.83 0.02 -0.20 0.00 0.09 0.00 0.00 57.88 58.62 1wil h LEU 44 Cb 2.17 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.82 1wil h LEU 44 CO -0.72 0.31 -0.94 0.08 0.09 0.00 0.00 178.44 177.26 1wil h ARG 45 N 0.57 0.04 -0.38 1.13 0.11 0.73 1.02 114.38 117.58 1wil h ARG 45 Ca 0.22 -0.05 -0.13 0.00 0.10 0.00 0.00 59.98 60.12 1wil h ARG 45 Cb 0.08 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.17 1wil h ARG 45 CO -0.13 0.94 -0.28 -0.09 0.10 0.00 0.00 179.97 180.51 1wil h ARG 46 N 0.01 0.87 0.06 0.08 1.12 0.03 -3.34 114.38 113.21 1wil h ARG 46 Ca -0.02 -0.42 -0.37 0.00 -1.11 0.00 0.00 59.98 58.06 1wil h ARG 46 Cb 1.64 -0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 31.55 1wil h ARG 46 CO 0.13 1.06 -2.16 -0.12 -3.11 0.00 0.00 179.97 175.77 1wil n MET 47 N -4.17 0.69 0.00 0.20 1.56 0.10 -5.06 117.12 110.44 1wil n MET 47 Ca -0.02 0.25 0.00 0.00 -0.27 0.00 0.00 57.70 57.66 1wil n MET 47 Cb 0.48 -1.62 0.00 0.00 2.15 0.00 0.00 33.22 34.23 1wil n MET 47 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1wil n GLY 48 N 1.99 1.08 0.16 -5.12 0.00 0.30 -5.07 105.19 98.52 1wil n GLY 48 Ca -0.39 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.09 1.61 4.01 0.15 -4.87 117.16 117.97 1wil n TYR 49 Ca 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.65 1wil n TYR 49 Cb 0.00 0.02 -0.15 0.00 -0.31 0.00 0.00 39.34 38.91 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 -2.11 1.25 -3.49 -0.72 -0.00 -1.26 -5.07 119.36 107.96 1wil n ILE 50 Ca 0.00 -0.78 -0.05 0.00 -0.00 0.00 0.00 62.75 61.92 1wil n ILE 50 Cb 0.27 -0.50 0.01 0.00 -0.00 0.00 0.00 39.64 39.42 1wil n ILE 50 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1wil n GLN 51 N -2.68 0.62 -2.31 6.28 1.13 -1.26 -5.10 117.38 114.06 1wil n GLN 51 Ca -0.30 -1.30 -0.03 0.00 -1.94 0.00 0.00 57.00 53.44 1wil n GLN 51 Cb 1.09 1.57 0.06 0.00 0.11 0.00 0.00 30.24 33.07 1wil n GLN 51 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1wil n GLY 52 N -0.31 0.37 2.69 1.08 0.00 -1.26 -4.46 105.19 103.31 1wil n GLY 52 Ca -0.04 -0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 1wil n GLY 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wil s ASP 53 N -0.58 1.06 -0.36 1.61 1.11 -1.26 -5.04 116.67 113.21 1wil s ASP 53 Ca 0.07 0.06 -0.04 0.00 0.18 0.00 0.00 52.55 52.82 1wil s ASP 53 Cb 0.22 -0.16 0.02 0.00 1.07 0.00 0.00 42.92 44.07 1wil s ASP 53 CO -0.06 -0.23 2.82 -0.24 1.18 0.00 0.00 175.17 178.64 1wil n SER 54 N 5.16 6.27 -0.45 0.27 2.88 -1.26 -4.43 113.62 122.05 1wil n SER 54 Ca -0.06 -3.07 0.09 0.00 -1.33 0.00 0.00 58.87 54.50 1wil n SER 54 Cb 0.50 -1.24 0.37 0.00 -0.75 0.00 0.00 64.21 63.08 1wil n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wil n ALA 55 N 1.08 2.53 -3.47 -1.46 0.00 -1.26 -4.89 120.51 113.04 1wil n ALA 55 Ca 0.46 -0.45 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1wil n ALA 55 Cb 0.61 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.93 1wil n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wil s ALA 56 N -1.80 -1.72 -0.59 0.00 0.00 -1.26 -5.05 121.76 111.34 1wil s ALA 56 Ca 0.29 0.85 0.00 0.00 0.00 0.00 0.00 51.96 53.10 1wil s ALA 56 Cb 0.15 0.51 0.45 0.00 0.00 0.00 0.00 23.12 24.24 1wil s ALA 56 CO 0.23 -0.66 1.84 0.39 0.00 0.00 0.00 175.76 177.57 1wil n GLU 57 N -0.09 2.91 -1.47 0.00 -0.58 -1.26 -5.00 120.64 115.14 1wil n GLU 57 Ca -0.14 -3.50 -0.47 0.00 -0.42 0.00 0.00 57.16 52.63 1wil n GLU 57 Cb 0.62 -2.29 -0.07 0.00 -0.57 0.00 0.00 31.44 29.14 1wil n GLU 57 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1wil n VAL 58 N -0.86 0.15 -1.56 2.62 0.31 -1.26 -4.92 118.33 112.80 1wil n VAL 58 Ca 0.58 -0.32 -0.29 0.00 -0.01 0.00 0.00 64.34 64.30 1wil n VAL 58 Cb 0.72 -1.77 0.14 0.00 -0.91 0.00 0.00 33.84 32.03 1wil n VAL 58 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1wil s THR 59 N 8.20 1.97 -0.41 2.52 -1.32 -1.26 -5.00 115.64 120.35 1wil s THR 59 Ca 1.10 0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 61.35 1wil s THR 59 Cb -0.76 -2.77 0.02 0.00 -1.51 0.00 0.00 72.50 67.48 1wil s THR 59 CO 0.45 0.00 0.74 -1.61 -2.21 0.00 0.00 174.62 171.99 1wil s GLU 60 N -5.36 3.53 -0.36 7.08 0.41 -1.26 -4.92 118.70 117.82 1wil s GLU 60 Ca 0.65 0.00 0.05 0.00 -0.41 0.00 0.00 54.97 55.27 1wil s GLU 60 Cb -0.13 -3.88 0.46 0.00 -1.78 0.00 0.00 34.13 28.79 1wil s GLU 60 CO 0.53 -0.96 1.36 -1.33 -0.49 0.00 0.00 175.26 174.37 1wil n MET 61 N 6.46 3.41 -0.06 1.61 2.81 -1.26 -4.73 117.12 125.36 1wil n MET 61 Ca 0.01 -3.98 -0.14 0.00 -1.81 0.00 0.00 57.70 51.78 1wil n MET 61 Cb 0.48 -2.28 -0.13 0.00 -0.71 0.00 0.00 33.22 30.59 1wil n MET 61 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1wil h ALA 62 N 2.13 -0.00 -0.85 3.04 0.00 -1.91 -3.36 119.26 118.30 1wil h ALA 62 Ca 0.41 -0.50 -0.69 0.00 0.00 0.00 0.00 54.91 54.13 1wil h ALA 62 Cb 1.39 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.97 1wil h ALA 62 CO 0.92 0.01 1.03 1.58 0.00 0.00 0.00 179.25 182.79 1wil n HIS 63 N -4.59 2.46 -4.34 0.00 -0.00 -1.26 -4.36 115.22 103.13 1wil n HIS 63 Ca -0.10 -2.31 -0.20 0.00 -0.00 0.00 0.00 57.72 55.11 1wil n HIS 63 Cb 0.49 -1.33 -0.08 0.00 -0.00 0.00 0.00 29.99 29.06 1wil n HIS 63 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.34 177.29 1wil s THR 64 N -3.56 0.19 0.08 3.57 -4.23 -1.26 -5.06 115.64 105.37 1wil s THR 64 Ca 0.52 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.89 1wil s THR 64 Cb 0.35 -2.47 -0.03 0.00 1.34 0.00 0.00 72.50 71.69 1wil s THR 64 CO -0.27 0.00 1.20 -0.62 -0.54 0.00 0.00 174.62 174.40 1wil n GLU 65 N -0.65 -0.21 -2.80 3.99 1.02 -1.26 -3.23 120.64 117.51 1wil n GLU 65 Ca 0.03 1.19 -0.43 0.00 -0.02 0.00 0.00 57.16 57.93 1wil n GLU 65 Cb 0.64 -1.76 -0.03 0.00 -0.02 0.00 0.00 31.44 30.27 1wil n GLU 65 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1wil s THR 66 N -4.23 4.37 0.50 2.62 2.01 -1.26 -5.01 115.64 114.64 1wil s THR 66 Ca -0.06 -0.95 -0.20 0.00 0.31 0.00 0.00 61.69 60.79 1wil s THR 66 Cb 0.05 -4.83 -0.08 0.00 0.01 0.00 0.00 72.50 67.66 1wil s THR 66 CO 0.29 -1.62 1.05 -0.83 -0.69 0.00 0.00 174.62 172.83 1wil s GLY 67 N 3.96 2.49 -0.06 4.40 0.00 -1.20 -4.73 107.32 112.19 1wil s GLY 67 Ca 0.33 0.62 0.01 0.00 0.00 0.00 0.00 44.72 45.68 1wil s GLY 67 CO -0.03 0.94 -0.06 -0.98 0.00 0.00 0.00 173.10 172.97 1wil s TRP 68 N -2.00 2.94 0.39 1.90 0.52 -1.26 -5.05 118.94 116.39 1wil s TRP 68 Ca 0.68 0.02 -0.23 0.00 0.02 0.00 0.00 56.10 56.59 1wil s TRP 68 Cb -0.17 -1.70 -0.10 0.00 -1.15 0.00 0.00 33.47 30.35 1wil s TRP 68 CO 0.23 0.35 0.97 -1.54 0.02 0.00 0.00 176.95 176.98 1wil s SER 69 N -0.92 6.99 0.73 2.95 1.04 -1.26 -4.98 113.70 118.24 1wil s SER 69 Ca 0.13 1.83 -0.16 0.00 0.48 0.00 0.00 55.95 58.23 1wil s SER 69 Cb -0.11 -2.56 0.04 0.00 0.10 0.00 0.00 66.02 63.48 1wil s SER 69 CO 0.03 -0.32 1.25 0.00 0.98 0.00 0.00 173.24 175.17 1wil h HIS 71 N -0.17 -0.69 0.00 0.00 3.86 -2.05 -2.64 115.15 113.46 1wil h HIS 71 Ca -0.49 0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 58.79 1wil h HIS 71 Cb 1.32 0.41 -0.00 0.00 1.06 0.00 0.00 27.41 30.20 1wil h HIS 71 CO 0.44 -0.36 -0.05 1.88 0.86 0.00 0.00 177.93 180.70 1wil h TYR 72 N -0.06 0.00 -2.95 2.45 -1.99 -2.04 -3.45 116.97 108.92 1wil h TYR 72 Ca 0.32 0.00 -0.53 0.00 2.00 0.00 0.00 58.73 60.52 1wil h TYR 72 Cb 0.57 0.00 0.07 0.00 2.00 0.00 0.00 36.73 39.37 1wil h TYR 72 CO -0.66 0.92 0.93 0.00 -0.00 0.00 0.00 178.16 179.36 1wil s ASP 74 N 0.80 -0.62 0.18 0.00 -1.08 -1.26 -3.48 116.67 111.20 1wil s ASP 74 Ca 0.69 0.88 -0.08 0.00 -0.52 0.00 0.00 52.55 53.52 1wil s ASP 74 Cb -0.51 1.65 0.26 0.00 -1.46 0.00 0.00 42.92 42.87 1wil s ASP 74 CO 0.41 -0.12 1.09 -3.20 0.52 0.00 0.00 175.17 173.87 1wil n ASN 75 N 4.83 -0.33 -4.92 -0.34 5.15 -1.26 -4.42 115.26 113.98 1wil n ASN 75 Ca -0.11 1.21 -0.21 0.00 -0.60 0.00 0.00 54.58 54.88 1wil n ASN 75 Cb 0.53 -0.33 -0.01 0.00 -0.53 0.00 0.00 39.78 39.44 1wil n ASN 75 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1wil s ILE 76 N -5.80 2.47 -0.75 -1.44 -4.36 -1.26 -5.06 121.20 104.99 1wil s ILE 76 Ca -0.10 -1.28 -0.21 0.00 -0.26 0.00 0.00 60.65 58.80 1wil s ILE 76 Cb 0.17 -2.75 0.09 0.00 1.25 0.00 0.00 42.46 41.23 1wil s ILE 76 CO 0.53 0.00 1.00 0.20 0.24 0.00 0.00 174.94 176.91 1wil s ASN 77 N -4.25 6.33 0.55 4.36 -0.87 -1.26 -5.03 114.94 114.77 1wil s ASN 77 Ca 0.48 -1.39 -0.15 0.00 -1.57 0.00 0.00 52.86 50.24 1wil s ASN 77 Cb -0.04 -2.40 -0.06 0.00 -0.02 0.00 0.00 41.25 38.72 1wil s ASN 77 CO 0.29 -1.29 1.01 -0.22 -2.57 0.00 0.00 177.10 174.31 1wil s LEU 78 N 3.51 3.52 0.19 0.60 2.96 -1.26 -5.08 118.68 123.11 1wil s LEU 78 Ca 0.25 1.57 0.00 0.00 -0.22 0.00 0.00 54.13 55.73 1wil s LEU 78 Cb -0.13 -4.50 -0.04 0.00 0.50 0.00 0.00 46.19 42.01 1wil s LEU 78 CO 0.03 -0.74 0.08 -1.48 -1.32 0.00 0.00 176.35 172.92 1wil s LEU 79 N -4.38 1.58 -0.14 -0.68 2.34 -1.26 -5.17 118.68 110.96 1wil s LEU 79 Ca 0.59 -1.31 -0.13 0.00 0.06 0.00 0.00 54.13 53.34 1wil s LEU 79 Cb -0.11 0.20 0.04 0.00 -0.56 0.00 0.00 46.19 45.76 1wil s LEU 79 CO 0.37 -0.74 0.38 -0.22 -1.06 0.00 0.00 176.35 175.08 1wil s LEU 80 N -3.18 0.52 -0.07 1.48 2.96 -1.26 -5.16 118.68 113.97 1wil s LEU 80 Ca 0.33 0.76 -0.04 0.00 -0.22 0.00 0.00 54.13 54.96 1wil s LEU 80 Cb 0.07 1.29 -0.04 0.00 0.50 0.00 0.00 46.19 48.01 1wil s LEU 80 CO 0.09 -0.14 0.13 0.28 -1.32 0.00 0.00 176.35 175.39 1wil s THR 81 N 0.29 5.26 -0.58 3.68 -1.32 -1.26 -5.07 115.64 116.64 1wil s THR 81 Ca -0.01 -0.02 0.04 0.00 -1.21 0.00 0.00 61.69 60.49 1wil s THR 81 Cb -0.03 -3.34 0.15 0.00 -1.51 0.00 0.00 72.50 67.77 1wil s THR 81 CO -0.00 0.50 0.37 -0.70 -2.21 0.00 0.00 174.62 172.58 1wil s GLU 82 N -1.36 1.95 -0.54 7.08 2.12 -1.26 -5.01 118.70 121.68 1wil s GLU 82 Ca 0.19 -2.78 0.04 0.00 0.36 0.00 0.00 54.97 52.78 1wil s GLU 82 Cb -0.12 -2.98 0.15 0.00 0.26 0.00 0.00 34.13 31.44 1wil s GLU 82 CO 0.09 -1.23 0.36 -1.21 -0.54 0.00 0.00 175.26 172.73 1wil s GLU 83 N -0.65 1.75 0.27 4.30 0.41 -1.26 -5.08 118.70 118.44 1wil s GLU 83 Ca 0.22 -2.61 -0.04 0.00 -0.41 0.00 0.00 54.97 52.13 1wil s GLU 83 Cb -0.13 -2.70 -0.02 0.00 -1.78 0.00 0.00 34.13 29.50 1wil s GLU 83 CO -0.09 -1.24 0.36 -1.54 -0.49 0.00 0.00 175.26 172.25 1wil s SER 84 N -0.46 0.48 0.00 -0.19 1.04 -1.26 -5.14 113.70 108.17 1wil s SER 84 Ca 0.23 -1.33 0.00 0.00 0.48 0.00 0.00 55.95 55.33 1wil s SER 84 Cb -0.12 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1wil s SER 84 CO -0.10 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 173.64 1wil n GLY 85 N -0.43 -0.43 3.60 7.32 0.00 -1.26 -5.11 105.19 108.87 1wil n GLY 85 Ca 0.01 0.66 -0.43 0.00 0.00 0.00 0.00 46.02 46.26 1wil n GLY 85 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wil s PRO 86 N 0.00 3.43 -0.09 1.61 0.04 -1.26 -4.93 135.00 133.80 1wil s PRO 86 Ca 0.00 1.34 -0.35 0.00 0.04 0.00 0.00 61.00 62.03 1wil s PRO 86 Cb 0.00 -4.15 -0.13 0.00 0.04 0.00 0.00 34.50 30.27 1wil s PRO 86 CO 0.00 -1.74 1.81 0.45 0.04 0.00 0.00 177.00 177.56 1wil n SER 87 N 9.80 3.20 -3.50 6.66 2.88 -1.26 -4.94 113.62 126.45 1wil n SER 87 Ca 0.21 1.00 -0.29 0.00 -1.33 0.00 0.00 58.87 58.47 1wil n SER 87 Cb 0.47 -1.34 0.27 0.00 -0.75 0.00 0.00 64.21 62.86 1wil n SER 87 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wil n SER 88 N 5.97 -3.65 0.00 -3.46 2.88 -1.26 -5.37 113.62 108.73 1wil n SER 88 Ca 0.22 -0.70 0.00 0.00 -1.33 0.00 0.00 58.87 57.07 1wil n SER 88 Cb 0.27 -1.02 0.00 0.00 -0.75 0.00 0.00 64.21 62.71 1wil n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42