#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wil n SER 2 N 0.00 1.93 -3.57 1.61 7.64 -1.26 -5.09 113.62 114.89 1wil n SER 2 Ca 0.00 0.36 -0.17 0.00 1.01 0.00 0.00 58.87 60.07 1wil n SER 2 Cb 0.00 -0.75 -0.08 0.00 -1.01 0.00 0.00 64.21 62.37 1wil n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wil s SER 3 N -5.90 1.16 0.00 6.43 0.01 -1.26 -5.18 113.70 108.97 1wil s SER 3 Ca -0.28 -1.62 0.00 0.00 1.31 0.00 0.00 55.95 55.37 1wil s SER 3 Cb 0.04 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.79 1wil s SER 3 CO 0.41 -1.04 0.00 0.61 0.41 0.00 0.00 173.24 173.63 1wil n GLY 4 N -0.52 5.68 3.74 3.44 0.00 -1.26 -5.16 105.19 111.11 1wil n GLY 4 Ca 0.05 -1.55 -0.35 0.00 0.00 0.00 0.00 46.02 44.16 1wil n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wil s SER 5 N 0.94 5.54 0.28 1.61 0.01 -1.26 -5.07 113.70 115.75 1wil s SER 5 Ca 0.00 0.23 -0.30 0.00 1.31 0.00 0.00 55.95 57.19 1wil s SER 5 Cb 0.00 -1.63 -0.13 0.00 0.21 0.00 0.00 66.02 64.47 1wil s SER 5 CO 0.00 0.39 1.34 -1.20 0.41 0.00 0.00 173.24 174.18 1wil n SER 6 N 2.09 2.66 0.00 2.44 7.64 -1.26 -4.26 113.62 122.94 1wil n SER 6 Ca -0.19 1.17 0.00 0.00 1.01 0.00 0.00 58.87 60.86 1wil n SER 6 Cb 0.54 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 1wil n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wil n GLY 7 N 1.63 0.74 0.00 0.23 0.00 -1.26 -4.92 105.19 101.61 1wil n GLY 7 Ca 0.09 -0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.10 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 0.48 -1.30 1.61 -0.04 -1.26 -4.80 135.00 129.69 1wil n PRO 8 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 1wil n PRO 8 Cb 0.00 -1.30 0.16 0.00 -0.04 0.00 0.00 33.50 32.32 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 -2.00 0.82 -0.27 0.54 3.52 -1.26 -5.04 118.95 115.26 1wil s ARG 9 Ca 0.14 0.49 -0.01 0.00 -0.13 0.00 0.00 55.73 56.22 1wil s ARG 9 Cb 0.06 -1.78 0.04 0.00 -1.56 0.00 0.00 34.95 31.71 1wil s ARG 9 CO 0.11 -2.46 -0.05 -1.21 -0.81 0.00 0.00 175.30 170.88 1wil s GLU 10 N -5.06 2.60 1.24 5.12 8.01 -1.26 -5.11 118.70 124.23 1wil s GLU 10 Ca 0.64 -1.13 -0.20 0.00 0.01 0.00 0.00 54.97 54.29 1wil s GLU 10 Cb -0.17 -3.03 0.30 0.00 -4.31 0.00 0.00 34.13 26.92 1wil s GLU 10 CO 0.56 -0.50 1.11 -1.25 0.01 0.00 0.00 175.26 175.19 1wil s PRO 11 N 1.26 -1.51 0.01 0.39 0.04 -1.26 -5.03 135.00 128.91 1wil s PRO 11 Ca -0.03 -0.17 -0.16 0.00 0.04 0.00 0.00 61.00 60.68 1wil s PRO 11 Cb -0.18 -1.57 -0.06 0.00 0.04 0.00 0.00 34.50 32.73 1wil s PRO 11 CO -0.04 -3.88 0.46 0.14 0.04 0.00 0.00 177.00 173.73 1wil s VAL 12 N -3.01 4.96 0.39 -0.36 -7.23 -1.26 -5.04 120.40 108.86 1wil s VAL 12 Ca 0.72 0.96 -0.25 0.00 -1.81 0.00 0.00 61.98 61.60 1wil s VAL 12 Cb -0.08 -3.78 -0.11 0.00 0.56 0.00 0.00 36.38 32.97 1wil s VAL 12 CO 0.56 0.54 0.99 1.33 -0.31 0.00 0.00 175.10 178.21 1wil n VAL 13 N 2.01 2.29 -4.34 1.32 0.24 -1.26 -5.00 118.33 113.60 1wil n VAL 13 Ca -0.12 -0.50 -0.24 0.00 -2.04 0.00 0.00 64.34 61.44 1wil n VAL 13 Cb 0.52 -1.10 -0.08 0.00 -1.47 0.00 0.00 33.84 31.70 1wil n VAL 13 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1wil s ASN 14 N -0.70 4.20 -0.11 -1.34 -0.87 -1.26 -5.06 114.94 109.80 1wil s ASN 14 Ca 0.62 -0.91 -0.00 0.00 -1.57 0.00 0.00 52.86 51.00 1wil s ASN 14 Cb -0.59 -0.58 -0.07 0.00 -0.02 0.00 0.00 41.25 40.00 1wil s ASN 14 CO 0.58 -0.15 -0.10 0.47 -2.57 0.00 0.00 177.10 175.32 1wil n ASP 15 N -0.91 2.77 -2.00 -1.22 8.00 -1.26 -4.67 116.55 117.26 1wil n ASP 15 Ca -0.05 -0.02 -0.12 0.00 0.71 0.00 0.00 54.79 55.31 1wil n ASP 15 Cb 0.61 -0.20 -0.17 0.00 -0.02 0.00 0.00 41.12 41.34 1wil n ASP 15 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1wil n GLU 16 N -2.93 2.00 -4.16 -1.24 1.02 -1.26 -4.84 120.64 109.23 1wil n GLU 16 Ca -0.20 -1.00 -0.35 0.00 -0.02 0.00 0.00 57.16 55.60 1wil n GLU 16 Cb 0.70 -2.00 -0.12 0.00 -0.02 0.00 0.00 31.44 30.00 1wil n GLU 16 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1wil s MET 17 N 1.00 3.69 0.49 3.49 -1.94 -1.26 -4.07 119.30 120.70 1wil s MET 17 Ca 0.67 -0.49 -0.19 0.00 -1.71 0.00 0.00 55.69 53.97 1wil s MET 17 Cb 0.32 -3.06 -0.14 0.00 2.01 0.00 0.00 34.83 33.96 1wil s MET 17 CO 0.00 0.12 0.00 0.00 -0.01 0.00 0.00 175.02 175.13 1wil n ASP 19 N 2.21 0.86 0.00 0.00 2.03 -0.95 -0.32 116.55 120.37 1wil n ASP 19 Ca 0.09 -1.20 0.00 0.00 0.52 0.00 0.00 54.79 54.20 1wil n ASP 19 Cb 0.46 -0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 1wil n ASP 19 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1wil n VAL 20 N -0.38 0.00 0.00 5.18 0.31 -1.26 -4.82 118.33 117.36 1wil n VAL 20 Ca 0.20 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1wil n VAL 20 Cb 0.26 0.62 0.00 0.00 -0.91 0.00 0.00 33.84 33.81 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 -1.72 -6.39 -3.79 0.00 1.02 0.57 -4.87 120.64 105.46 1wil n GLU 22 Ca 0.00 0.69 -0.13 0.00 -0.02 0.00 0.00 57.16 57.71 1wil n GLU 22 Cb 0.39 -5.32 -0.11 0.00 -0.02 0.00 0.00 31.44 26.38 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 -3.27 0.02 0.51 2.62 -7.23 -1.26 -4.69 120.40 107.09 1wil s VAL 23 Ca 0.37 -0.14 0.05 0.00 -1.81 0.00 0.00 61.98 60.45 1wil s VAL 23 Cb -0.16 -0.39 0.01 0.00 0.56 0.00 0.00 36.38 36.39 1wil s VAL 23 CO 0.61 -0.08 0.25 -1.66 -0.31 0.00 0.00 175.10 173.91 1wil s TRP 24 N -0.22 1.88 -0.01 2.82 1.48 -1.26 -3.15 118.94 120.48 1wil s TRP 24 Ca -0.03 -0.82 -0.14 0.00 -1.06 0.00 0.00 56.10 54.04 1wil s TRP 24 Cb -0.03 -1.84 0.02 0.00 -1.16 0.00 0.00 33.47 30.46 1wil s TRP 24 CO 0.01 -0.16 0.29 0.95 -4.06 0.00 0.00 176.95 173.99 1wil s THR 25 N -2.77 0.06 0.31 0.66 -4.23 -1.26 -5.04 115.64 103.37 1wil s THR 25 Ca 0.27 -0.48 0.07 0.00 -1.18 0.00 0.00 61.69 60.37 1wil s THR 25 Cb -0.00 -0.59 0.30 0.00 1.34 0.00 0.00 72.50 73.55 1wil s THR 25 CO 0.16 -0.27 1.75 0.00 -0.54 0.00 0.00 174.62 175.72 1wil h ALA 26 N 3.95 1.69 -2.12 3.99 0.00 -2.02 -3.42 119.26 121.33 1wil h ALA 26 Ca -0.30 0.11 -0.43 0.00 0.00 0.00 0.00 54.91 54.29 1wil h ALA 26 Cb 1.18 -0.02 0.18 0.00 0.00 0.00 0.00 17.79 19.13 1wil h ALA 26 CO 0.40 -0.17 0.17 -1.83 0.00 0.00 0.00 179.25 177.81 1wil s GLU 27 N -5.83 -0.67 0.22 0.00 -1.05 -1.26 -4.95 118.70 105.16 1wil s GLU 27 Ca -0.11 0.06 -0.30 0.00 -0.15 0.00 0.00 54.97 54.47 1wil s GLU 27 Cb 0.26 -1.65 -0.10 0.00 -0.44 0.00 0.00 34.13 32.20 1wil s GLU 27 CO 0.80 -3.37 1.44 -1.12 0.95 0.00 0.00 175.26 173.96 1wil s SER 28 N -3.84 6.69 -0.17 0.83 0.01 -1.26 -5.00 113.70 110.96 1wil s SER 28 Ca 0.69 2.59 -0.10 0.00 1.31 0.00 0.00 55.95 60.45 1wil s SER 28 Cb -0.12 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.45 1wil s SER 28 CO 0.56 -0.69 0.17 -0.22 0.41 0.00 0.00 173.24 173.47 1wil s LEU 29 N 0.00 4.26 0.40 2.44 0.20 -1.26 -5.02 118.68 119.71 1wil s LEU 29 Ca 0.61 0.36 -0.15 0.00 0.69 0.00 0.00 54.13 55.63 1wil s LEU 29 Cb -0.41 -2.15 -0.09 0.00 -0.43 0.00 0.00 46.19 43.11 1wil s LEU 29 CO 0.40 0.22 0.84 -0.36 -0.29 0.00 0.00 176.35 177.16 1wil s PHE 30 N 0.03 3.40 -0.02 5.38 0.08 -1.26 -2.98 117.98 122.60 1wil s PHE 30 Ca 0.12 1.31 -0.25 0.00 0.12 0.00 0.00 56.93 58.22 1wil s PHE 30 Cb -0.12 -2.63 -0.20 0.00 -0.57 0.00 0.00 43.02 39.51 1wil s PHE 30 CO 0.01 -0.09 1.23 -1.00 -0.10 0.00 0.00 175.22 175.28 1wil h PRO 31 N 1.68 -0.05 0.00 0.24 0.13 -1.71 -2.08 132.00 130.22 1wil h PRO 31 Ca -0.48 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.22 1wil h PRO 31 Cb 1.18 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.22 1wil h PRO 31 CO 0.63 0.42 -0.39 0.00 -0.23 0.00 0.00 178.00 178.43 1wil n ARG 33 N -0.68 1.94 -0.03 0.00 1.85 -1.26 -4.59 116.66 113.90 1wil n ARG 33 Ca -0.01 -0.03 0.01 0.00 -1.00 0.00 0.00 57.85 56.83 1wil n ARG 33 Cb 0.51 -1.18 0.33 0.00 -1.05 0.00 0.00 32.46 31.08 1wil n ARG 33 CO 0.00 0.00 0.00 -0.39 -0.01 0.00 0.00 177.63 177.23 1wil h VAL 34 N 0.00 1.16 -3.25 8.89 -1.51 -1.97 -3.38 116.25 116.19 1wil h VAL 34 Ca -0.12 -0.52 -0.62 0.00 -1.23 0.00 0.00 66.70 64.21 1wil h VAL 34 Cb 1.04 0.68 -0.13 0.00 -2.13 0.00 0.00 31.29 30.76 1wil h VAL 34 CO 0.01 0.20 0.48 0.00 -1.23 0.00 0.00 177.57 177.03 1wil n THR 36 N 6.12 -0.25 -1.93 0.00 -1.04 -1.26 -3.73 114.28 112.19 1wil n THR 36 Ca 0.01 1.30 -0.38 0.00 -2.04 0.00 0.00 64.05 62.93 1wil n THR 36 Cb 0.47 -1.94 -0.03 0.00 -1.82 0.00 0.00 70.33 67.01 1wil n THR 36 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1wil s ARG 37 N -5.34 2.60 -0.18 -2.82 3.52 -1.26 -4.76 118.95 110.71 1wil s ARG 37 Ca -0.07 0.88 -0.06 0.00 -0.13 0.00 0.00 55.73 56.35 1wil s ARG 37 Cb 0.18 -4.41 -0.03 0.00 -1.56 0.00 0.00 34.95 29.13 1wil s ARG 37 CO 0.47 -2.75 0.02 0.14 -0.81 0.00 0.00 175.30 172.37 1wil s VAL 38 N 9.49 4.39 -0.18 7.11 -7.23 -1.24 -4.81 120.40 127.93 1wil s VAL 38 Ca 0.75 -0.18 -0.08 0.00 -1.81 0.00 0.00 61.98 60.67 1wil s VAL 38 Cb -0.15 -2.96 0.08 0.00 0.56 0.00 0.00 36.38 33.91 1wil s VAL 38 CO 0.23 0.46 0.40 0.72 -0.31 0.00 0.00 175.10 176.61 1wil s PHE 39 N 0.46 -0.68 0.69 2.82 -0.71 -0.80 -2.25 117.98 117.51 1wil s PHE 39 Ca 0.00 1.37 -0.17 0.00 -1.04 0.00 0.00 56.93 57.10 1wil s PHE 39 Cb -0.13 0.25 -0.06 0.00 -1.21 0.00 0.00 43.02 41.87 1wil s PHE 39 CO 0.02 -0.41 0.47 0.72 -1.34 0.00 0.00 175.22 174.67 1wil n HIS 40 N 4.95 -0.98 -0.03 3.49 8.25 -1.11 -1.99 115.22 127.81 1wil n HIS 40 Ca -0.14 0.36 -0.12 0.00 -0.26 0.00 0.00 57.72 57.56 1wil n HIS 40 Cb 0.52 -1.90 0.01 0.00 1.12 0.00 0.00 29.99 29.73 1wil n HIS 40 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 1wil h ASP 41 N -0.23 0.78 0.02 0.41 5.19 -1.99 -3.30 116.42 117.30 1wil h ASP 41 Ca -0.45 -0.43 -0.00 0.00 -0.62 0.00 0.00 57.03 55.53 1wil h ASP 41 Cb 1.36 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.65 1wil h ASP 41 CO 0.43 1.19 -0.01 1.23 -3.12 0.00 0.00 179.24 178.96 1wil h GLY 42 N 0.89 -0.02 -0.97 2.75 0.00 -1.98 -3.18 103.07 100.55 1wil h GLY 42 Ca 0.00 0.01 0.36 0.00 0.00 0.00 0.00 47.33 47.70 1wil h GLY 42 CO 0.12 -0.01 0.35 0.00 0.00 0.00 0.00 176.54 177.00 1wil h LEU 44 N 0.01 -0.63 -1.42 0.00 3.38 -1.63 -2.61 115.31 112.43 1wil h LEU 44 Ca 0.76 0.02 0.17 0.00 0.09 0.00 0.00 57.88 58.91 1wil h LEU 44 Cb 1.86 0.16 -0.07 0.00 0.09 0.00 0.00 40.66 42.71 1wil h LEU 44 CO -0.82 -0.44 0.57 0.08 0.09 0.00 0.00 178.44 177.91 1wil h ARG 45 N -0.75 0.52 -0.36 1.13 0.11 -1.09 0.46 114.38 114.39 1wil h ARG 45 Ca -0.08 -0.03 0.07 0.00 0.10 0.00 0.00 59.98 60.04 1wil h ARG 45 Cb 0.57 -0.12 -0.06 0.00 1.11 0.00 0.00 29.97 31.47 1wil h ARG 45 CO 0.12 0.34 -0.01 -0.09 0.10 0.00 0.00 179.97 180.44 1wil h ARG 46 N 0.53 0.09 0.00 0.08 1.12 -0.30 -3.24 114.38 112.65 1wil h ARG 46 Ca 0.44 -0.01 -0.05 0.00 -1.11 0.00 0.00 59.98 59.26 1wil h ARG 46 Cb 0.91 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.84 1wil h ARG 46 CO -0.18 0.06 -0.39 0.52 -3.11 0.00 0.00 179.97 176.87 1wil h MET 47 N 0.09 0.00 0.00 0.20 2.86 -0.86 -3.50 114.93 113.72 1wil h MET 47 Ca 0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1wil h MET 47 Cb 0.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.91 1wil h MET 47 CO -0.30 0.50 0.00 0.41 1.06 0.00 0.00 176.91 178.58 1wil n GLY 48 N 1.62 0.09 0.06 8.32 0.00 0.15 -5.08 105.19 110.35 1wil n GLY 48 Ca -0.11 -0.41 -0.08 0.00 0.00 0.00 0.00 46.02 45.42 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 0.52 1.61 4.01 -1.08 -4.74 117.16 117.48 1wil n TYR 49 Ca 0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.54 1wil n TYR 49 Cb 0.00 -0.45 -0.10 0.00 -0.31 0.00 0.00 39.34 38.48 1wil n TYR 49 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1wil h ILE 50 N 0.00 0.00 -3.53 -0.72 2.04 -1.94 -3.42 117.51 109.94 1wil h ILE 50 Ca -0.26 -0.02 -0.53 0.00 1.00 0.00 0.00 64.86 65.06 1wil h ILE 50 Cb 1.42 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 1wil h ILE 50 CO -0.04 0.00 0.23 -1.58 0.00 0.00 0.00 178.15 176.76 1wil s GLN 51 N -5.87 4.61 -0.30 2.37 0.74 -1.26 -5.00 119.66 114.94 1wil s GLN 51 Ca -0.19 1.22 -0.14 0.00 0.05 0.00 0.00 55.36 56.30 1wil s GLN 51 Cb 0.02 -3.31 0.19 0.00 1.10 0.00 0.00 33.01 31.01 1wil s GLN 51 CO 0.58 0.42 1.16 0.20 -0.55 0.00 0.00 175.29 177.10 1wil s GLY 52 N -0.62 -1.63 -1.42 2.59 0.00 -1.26 -4.94 107.32 100.03 1wil s GLY 52 Ca 0.39 1.54 -0.02 0.00 0.00 0.00 0.00 44.72 46.64 1wil s GLY 52 CO 0.27 4.48 0.22 1.22 0.00 0.00 0.00 173.10 179.28 1wil n ASP 53 N 3.48 -5.26 -3.49 1.64 8.00 -1.26 -4.97 116.55 114.69 1wil n ASP 53 Ca 0.04 -0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.43 1wil n ASP 53 Cb 0.65 -4.24 -0.04 0.00 -0.02 0.00 0.00 41.12 37.47 1wil n ASP 53 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1wil s SER 54 N -2.44 -0.71 0.00 -2.24 1.04 -1.26 -5.03 113.70 103.06 1wil s SER 54 Ca 0.11 1.00 0.00 0.00 0.48 0.00 0.00 55.95 57.54 1wil s SER 54 Cb -0.05 1.74 0.00 0.00 0.10 0.00 0.00 66.02 67.82 1wil s SER 54 CO 0.13 -0.14 0.48 0.00 0.98 0.00 0.00 173.24 174.69 1wil n ALA 55 N 4.91 1.17 0.06 5.32 0.00 -1.26 -4.73 120.51 125.98 1wil n ALA 55 Ca -0.11 -0.48 0.01 0.00 0.00 0.00 0.00 53.44 52.85 1wil n ALA 55 Cb 0.53 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.99 1wil n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wil n ALA 56 N -0.11 2.41 -2.60 0.00 0.00 -1.26 -4.68 120.51 114.27 1wil n ALA 56 Ca 0.00 -0.61 -0.10 0.00 0.00 0.00 0.00 53.44 52.72 1wil n ALA 56 Cb 0.32 -0.07 0.03 0.00 0.00 0.00 0.00 19.45 19.73 1wil n ALA 56 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1wil n GLU 57 N 0.03 2.12 -4.65 0.00 0.00 -1.26 -5.08 120.64 111.80 1wil n GLU 57 Ca 0.01 -3.68 -0.34 0.00 0.00 0.00 0.00 57.16 53.16 1wil n GLU 57 Cb 0.09 -1.71 -0.11 0.00 0.00 0.00 0.00 31.44 29.71 1wil n GLU 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 1wil s VAL 58 N -3.97 3.61 -0.41 3.84 -7.23 -1.26 -5.09 120.40 109.89 1wil s VAL 58 Ca 0.34 -0.54 0.01 0.00 -1.81 0.00 0.00 61.98 59.98 1wil s VAL 58 Cb 0.39 -2.47 0.13 0.00 0.56 0.00 0.00 36.38 34.99 1wil s VAL 58 CO -0.02 0.58 0.22 -0.89 -0.31 0.00 0.00 175.10 174.68 1wil s THR 59 N -0.82 1.05 -0.36 5.32 2.01 -1.26 -5.06 115.64 116.52 1wil s THR 59 Ca 0.13 -2.28 0.03 0.00 0.31 0.00 0.00 61.69 59.88 1wil s THR 59 Cb -0.11 -1.75 0.11 0.00 0.01 0.00 0.00 72.50 70.76 1wil s THR 59 CO 0.02 -0.91 0.09 -1.83 -0.69 0.00 0.00 174.62 171.30 1wil s GLU 60 N 0.60 1.40 -0.20 4.92 -1.05 -1.26 -5.03 118.70 118.09 1wil s GLU 60 Ca 0.17 -1.84 -0.13 0.00 -0.15 0.00 0.00 54.97 53.02 1wil s GLU 60 Cb -0.24 -2.97 0.06 0.00 -0.44 0.00 0.00 34.13 30.54 1wil s GLU 60 CO -0.00 -0.98 0.49 -1.64 0.95 0.00 0.00 175.26 174.08 1wil s MET 61 N 0.84 0.51 0.11 -4.83 -1.94 -1.26 -5.17 119.30 107.56 1wil s MET 61 Ca 0.12 0.85 0.03 0.00 -1.71 0.00 0.00 55.69 54.98 1wil s MET 61 Cb -0.20 0.10 -0.04 0.00 2.01 0.00 0.00 34.83 36.70 1wil s MET 61 CO -0.10 -0.13 -0.08 0.00 -0.01 0.00 0.00 175.02 174.70 1wil s ALA 62 N 1.12 1.15 -1.64 3.03 0.00 -1.24 -4.37 121.76 119.83 1wil s ALA 62 Ca -0.07 -1.39 -0.18 0.00 0.00 0.00 0.00 51.96 50.32 1wil s ALA 62 Cb -0.06 0.11 0.16 0.00 0.00 0.00 0.00 23.12 23.33 1wil s ALA 62 CO -0.10 -0.17 0.70 0.72 0.00 0.00 0.00 175.76 176.91 1wil n HIS 63 N -0.05 -1.66 -4.27 0.00 8.25 -1.23 -4.89 115.22 111.38 1wil n HIS 63 Ca -0.12 0.72 -0.29 0.00 -0.26 0.00 0.00 57.72 57.77 1wil n HIS 63 Cb 0.60 -2.69 -0.04 0.00 1.12 0.00 0.00 29.99 28.98 1wil n HIS 63 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1wil s THR 64 N -3.19 1.55 0.28 1.59 2.01 -1.26 -4.90 115.64 111.72 1wil s THR 64 Ca 0.70 -1.72 0.18 0.00 0.31 0.00 0.00 61.69 61.16 1wil s THR 64 Cb -0.39 -2.27 0.29 0.00 0.01 0.00 0.00 72.50 70.14 1wil s THR 64 CO 0.87 0.00 1.12 -1.84 -0.69 0.00 0.00 174.62 174.07 1wil n GLU 65 N -1.49 -0.04 -0.07 4.92 0.28 -1.26 -1.20 120.64 121.78 1wil n GLU 65 Ca -0.09 0.95 -0.05 0.00 -0.16 0.00 0.00 57.16 57.81 1wil n GLU 65 Cb 0.65 -1.76 -0.02 0.00 1.43 0.00 0.00 31.44 31.75 1wil n GLU 65 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1wil n THR 66 N -4.42 1.40 0.00 3.84 -1.04 -1.26 -5.12 114.28 107.68 1wil n THR 66 Ca 0.28 0.21 0.00 0.00 -2.04 0.00 0.00 64.05 62.50 1wil n THR 66 Cb 0.99 -2.37 0.00 0.00 -1.82 0.00 0.00 70.33 67.13 1wil n THR 66 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1wil n GLY 67 N 1.60 0.43 3.08 3.41 0.00 -0.34 -5.00 105.19 108.37 1wil n GLY 67 Ca -0.08 -1.25 -0.29 0.00 0.00 0.00 0.00 46.02 44.40 1wil n GLY 67 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1wil s TRP 68 N -1.48 2.10 -0.14 1.61 1.48 -1.26 -3.47 118.94 117.78 1wil s TRP 68 Ca 0.00 -0.99 -0.04 0.00 -1.06 0.00 0.00 56.10 54.02 1wil s TRP 68 Cb 0.00 -1.49 0.05 0.00 -1.16 0.00 0.00 33.47 30.87 1wil s TRP 68 CO 0.00 -0.49 0.06 0.45 -4.06 0.00 0.00 176.95 172.91 1wil s SER 69 N 0.92 2.12 1.24 -2.66 0.15 -1.26 -4.86 113.70 109.35 1wil s SER 69 Ca -0.07 -0.45 -0.19 0.00 0.70 0.00 0.00 55.95 55.93 1wil s SER 69 Cb -0.15 -0.31 0.28 0.00 -1.71 0.00 0.00 66.02 64.13 1wil s SER 69 CO -0.01 -0.30 1.00 0.00 1.20 0.00 0.00 173.24 175.12 1wil h HIS 71 N -2.67 1.03 -0.56 0.00 3.86 -1.98 -3.20 115.15 111.63 1wil h HIS 71 Ca -0.38 -0.48 -0.37 0.00 -1.16 0.00 0.00 60.37 57.99 1wil h HIS 71 Cb 1.16 -0.15 -0.17 0.00 1.06 0.00 0.00 27.41 29.31 1wil h HIS 71 CO 0.00 1.31 0.47 0.66 0.86 0.00 0.00 177.93 181.23 1wil n TYR 72 N -3.91 1.81 -3.83 2.45 4.02 -1.26 -4.90 117.16 111.54 1wil n TYR 72 Ca -0.08 -1.98 -0.35 0.00 -0.01 0.00 0.00 57.90 55.48 1wil n TYR 72 Cb 0.77 -0.97 -0.09 0.00 -0.02 0.00 0.00 39.34 39.04 1wil n TYR 72 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wil s ASP 74 N 0.39 -0.66 -0.24 0.00 1.11 -1.26 -4.98 116.67 111.03 1wil s ASP 74 Ca 0.06 1.19 -0.12 0.00 0.18 0.00 0.00 52.55 53.86 1wil s ASP 74 Cb -0.12 1.78 -0.10 0.00 1.07 0.00 0.00 42.92 45.55 1wil s ASP 74 CO -0.01 -0.23 -0.32 0.59 1.18 0.00 0.00 175.17 176.38 1wil n ASN 75 N 5.42 1.72 -4.50 0.27 4.13 -1.26 -5.03 115.26 116.00 1wil n ASN 75 Ca -0.09 0.30 -0.24 0.00 1.68 0.00 0.00 54.58 56.22 1wil n ASN 75 Cb 0.49 -0.72 -0.10 0.00 -1.54 0.00 0.00 39.78 37.92 1wil n ASN 75 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 1wil s ILE 76 N -2.45 2.70 -0.40 2.41 -5.25 -1.26 -5.10 121.20 111.85 1wil s ILE 76 Ca -0.34 -2.22 -0.27 0.00 -0.99 0.00 0.00 60.65 56.83 1wil s ILE 76 Cb 0.13 -2.40 0.02 0.00 2.95 0.00 0.00 42.46 43.16 1wil s ILE 76 CO 0.43 -0.34 1.01 0.20 -1.79 0.00 0.00 174.94 174.45 1wil s ASN 77 N -3.39 6.69 -0.31 4.36 -0.87 -1.26 -4.99 114.94 115.16 1wil s ASN 77 Ca 0.29 0.58 -0.01 0.00 -1.57 0.00 0.00 52.86 52.14 1wil s ASN 77 Cb -0.06 -2.50 0.10 0.00 -0.02 0.00 0.00 41.25 38.77 1wil s ASN 77 CO 0.15 -0.99 0.11 -0.22 -2.57 0.00 0.00 177.10 173.59 1wil s LEU 78 N 3.80 1.89 -0.16 0.60 0.20 -1.26 -5.09 118.68 118.65 1wil s LEU 78 Ca 0.42 -1.63 -0.29 0.00 0.69 0.00 0.00 54.13 53.32 1wil s LEU 78 Cb -0.10 -0.76 -0.06 0.00 -0.43 0.00 0.00 46.19 44.84 1wil s LEU 78 CO 0.22 -0.41 2.07 -0.22 -0.29 0.00 0.00 176.35 177.73 1wil s LEU 79 N 1.64 3.73 0.13 -0.68 1.98 -1.26 -4.97 118.68 119.25 1wil s LEU 79 Ca 0.10 2.02 0.00 0.00 -2.89 0.00 0.00 54.13 53.36 1wil s LEU 79 Cb -0.18 -3.52 -0.04 0.00 0.66 0.00 0.00 46.19 43.12 1wil s LEU 79 CO -0.26 -1.66 0.29 -0.22 -1.89 0.00 0.00 176.35 172.62 1wil s LEU 80 N 6.98 4.31 0.42 -0.68 0.20 -1.26 -5.00 118.68 123.65 1wil s LEU 80 Ca 0.93 0.31 0.10 0.00 0.69 0.00 0.00 54.13 56.16 1wil s LEU 80 Cb -0.34 -3.03 0.90 0.00 -0.43 0.00 0.00 46.19 43.28 1wil s LEU 80 CO 0.36 0.07 2.00 0.00 -0.29 0.00 0.00 176.35 178.49 1wil h THR 81 N 1.82 1.12 -5.58 3.68 1.03 -2.09 -3.45 112.91 109.45 1wil h THR 81 Ca -0.47 -0.47 -0.35 0.00 -0.01 0.00 0.00 66.41 65.11 1wil h THR 81 Cb 1.18 0.97 -0.19 0.00 -1.07 0.00 0.00 68.15 69.04 1wil h THR 81 CO 0.72 0.16 -0.52 -1.84 -0.01 0.00 0.00 175.52 174.02 1wil n GLU 82 N -4.38 -0.87 -0.92 0.00 -0.00 -1.26 -4.69 120.64 108.52 1wil n GLU 82 Ca -0.00 0.07 -0.12 0.00 -0.00 0.00 0.00 57.16 57.11 1wil n GLU 82 Cb 0.18 -2.47 -0.06 0.00 -0.00 0.00 0.00 31.44 29.08 1wil n GLU 82 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1wil n GLU 83 N -2.63 1.74 0.08 3.44 0.00 -1.26 -4.34 120.64 117.66 1wil n GLU 83 Ca -0.00 -1.04 -0.08 0.00 0.00 0.00 0.00 57.16 56.04 1wil n GLU 83 Cb 0.29 -1.66 0.02 0.00 0.00 0.00 0.00 31.44 30.10 1wil n GLU 83 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1wil h SER 84 N 2.13 0.28 0.00 4.31 4.64 -2.02 -3.45 113.55 119.43 1wil h SER 84 Ca 0.19 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1wil h SER 84 Cb 1.11 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1wil h SER 84 CO 0.37 0.97 0.00 0.61 -0.87 0.00 0.00 176.83 177.91 1wil n GLY 85 N 0.72 -1.44 3.60 -0.77 0.00 -1.26 -5.18 105.19 100.86 1wil n GLY 85 Ca -0.03 0.64 -0.30 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.02 0.32 1.61 0.04 -1.26 -5.10 135.00 129.59 1wil s PRO 86 Ca 0.00 0.01 -0.09 0.00 0.04 0.00 0.00 61.00 60.96 1wil s PRO 86 Cb 0.00 -1.61 0.01 0.00 0.04 0.00 0.00 34.50 32.94 1wil s PRO 86 CO 0.00 -3.59 0.55 -1.12 0.04 0.00 0.00 177.00 172.87 1wil s SER 87 N -3.83 0.41 -0.32 6.66 0.01 -1.26 -5.10 113.70 110.27 1wil s SER 87 Ca 0.70 -1.24 -0.35 0.00 1.31 0.00 0.00 55.95 56.37 1wil s SER 87 Cb -0.11 0.68 -0.15 0.00 0.21 0.00 0.00 66.02 66.65 1wil s SER 87 CO 0.56 -1.34 1.16 -1.54 0.41 0.00 0.00 173.24 172.50 1wil n SER 88 N -1.09 0.77 0.00 2.44 3.41 -1.26 -5.31 113.62 112.57 1wil n SER 88 Ca -0.02 0.91 0.00 0.00 -0.26 0.00 0.00 58.87 59.50 1wil n SER 88 Cb 0.61 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 1wil n SER 88 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49