#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 -2.27 -4.82 1.61 3.41 -1.26 -4.90 113.62 105.40 1wil n SER 2 Ca 0.00 -1.08 -0.31 0.00 -0.26 0.00 0.00 58.87 57.22 1wil n SER 2 Cb 0.00 -2.48 0.05 0.00 -0.26 0.00 0.00 64.21 61.52 1wil n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wil s SER 3 N -3.52 5.39 0.32 4.04 1.04 -1.26 -4.94 113.70 114.77 1wil s SER 3 Ca 0.60 1.65 -0.24 0.00 0.48 0.00 0.00 55.95 58.43 1wil s SER 3 Cb -0.33 -2.50 -0.16 0.00 0.10 0.00 0.00 66.02 63.13 1wil s SER 3 CO 0.95 -1.43 0.36 0.61 0.98 0.00 0.00 173.24 174.71 1wil n GLY 4 N -1.85 -2.07 3.69 7.32 0.00 -1.26 -4.78 105.19 106.24 1wil n GLY 4 Ca 0.08 0.16 -0.44 0.00 0.00 0.00 0.00 46.02 45.81 1wil n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wil n SER 5 N 2.02 3.21 -3.94 1.61 2.88 -1.26 -4.95 113.62 113.19 1wil n SER 5 Ca 0.14 1.12 -0.29 0.00 -1.33 0.00 0.00 58.87 58.50 1wil n SER 5 Cb 0.33 -1.48 -0.13 0.00 -0.75 0.00 0.00 64.21 62.19 1wil n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wil s SER 6 N 0.60 4.66 -0.73 -3.46 1.04 -1.26 -5.02 113.70 109.52 1wil s SER 6 Ca 0.71 -3.45 -0.05 0.00 0.48 0.00 0.00 55.95 53.64 1wil s SER 6 Cb -0.61 -1.66 0.19 0.00 0.10 0.00 0.00 66.02 64.04 1wil s SER 6 CO 0.44 -0.16 0.59 -0.83 0.98 0.00 0.00 173.24 174.26 1wil s GLY 7 N -0.83 2.68 0.00 7.32 0.00 -1.26 -4.90 107.32 110.34 1wil s GLY 7 Ca 0.21 -3.43 0.09 0.00 0.00 0.00 0.00 44.72 41.60 1wil s GLY 7 CO -0.09 1.15 0.99 -1.55 0.00 0.00 0.00 173.10 173.61 1wil n PRO 8 N 3.28 0.49 -1.83 2.90 -0.04 -1.26 -4.82 135.00 133.71 1wil n PRO 8 Ca 0.12 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.17 1wil n PRO 8 Cb 0.39 -1.29 -0.01 0.00 -0.04 0.00 0.00 33.50 32.55 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 4.14 0.02 0.54 6.06 -1.26 -4.89 118.95 121.56 1wil s ARG 9 Ca 0.14 2.54 -0.30 0.00 -2.50 0.00 0.00 55.73 55.60 1wil s ARG 9 Cb 0.06 -2.99 -0.08 0.00 0.06 0.00 0.00 34.95 32.00 1wil s ARG 9 CO 0.11 -0.51 1.95 -1.21 -2.50 0.00 0.00 175.30 173.13 1wil s GLU 10 N -1.85 4.12 0.37 5.12 2.02 -1.26 -4.95 118.70 122.27 1wil s GLU 10 Ca 0.54 2.56 -0.26 0.00 0.02 0.00 0.00 54.97 57.82 1wil s GLU 10 Cb -0.46 -4.15 -0.09 0.00 0.10 0.00 0.00 34.13 29.53 1wil s GLU 10 CO 0.60 -0.98 1.20 -1.25 0.02 0.00 0.00 175.26 174.85 1wil s PRO 11 N 4.48 4.16 -0.04 0.39 0.04 -1.26 -5.05 135.00 137.72 1wil s PRO 11 Ca 0.87 1.94 -0.05 0.00 0.04 0.00 0.00 61.00 63.80 1wil s PRO 11 Cb -0.42 -2.81 0.01 0.00 0.04 0.00 0.00 34.50 31.32 1wil s PRO 11 CO 0.40 -0.26 0.14 0.08 0.04 0.00 0.00 177.00 177.40 1wil s VAL 12 N -1.32 0.03 -0.75 -0.36 1.01 -1.26 -4.88 120.40 112.87 1wil s VAL 12 Ca 0.54 -0.21 -0.10 0.00 0.00 0.00 0.00 61.98 62.21 1wil s VAL 12 Cb -0.33 -0.27 0.10 0.00 0.00 0.00 0.00 36.38 35.87 1wil s VAL 12 CO 0.43 -0.12 0.24 0.55 0.00 0.00 0.00 175.10 176.20 1wil n VAL 13 N 2.55 0.00 -3.28 2.92 3.14 -1.26 -4.81 118.33 117.60 1wil n VAL 13 Ca -0.16 0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 60.84 1wil n VAL 13 Cb 0.58 -0.20 -0.06 0.00 -1.06 0.00 0.00 33.84 33.10 1wil n VAL 13 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 1wil s ASN 14 N -1.89 6.85 0.04 6.55 0.01 -1.26 -4.97 114.94 120.26 1wil s ASN 14 Ca 0.34 1.01 -0.02 0.00 -0.71 0.00 0.00 52.86 53.47 1wil s ASN 14 Cb -0.20 -2.32 -0.01 0.00 0.41 0.00 0.00 41.25 39.13 1wil s ASN 14 CO 0.41 0.08 -0.04 0.47 -1.51 0.00 0.00 177.10 176.51 1wil n ASP 15 N 3.01 0.93 -4.56 -1.22 9.92 -1.26 -4.96 116.55 118.41 1wil n ASP 15 Ca -0.08 0.13 -0.38 0.00 -0.53 0.00 0.00 54.79 53.93 1wil n ASP 15 Cb 0.51 -0.32 -0.03 0.00 -0.64 0.00 0.00 41.12 40.65 1wil n ASP 15 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1wil n GLU 16 N -3.35 1.31 -4.32 -1.24 1.02 -1.26 -4.93 120.64 107.87 1wil n GLU 16 Ca -0.02 0.15 -0.20 0.00 -0.02 0.00 0.00 57.16 57.07 1wil n GLU 16 Cb 0.06 -3.39 -0.16 0.00 -0.02 0.00 0.00 31.44 27.93 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 7.74 0.94 0.71 3.49 -1.94 -1.26 -4.30 119.30 124.68 1wil s MET 17 Ca 0.99 -0.25 -0.16 0.00 -1.71 0.00 0.00 55.69 54.56 1wil s MET 17 Cb -0.22 -0.88 -0.05 0.00 2.01 0.00 0.00 34.83 35.70 1wil s MET 17 CO 0.29 0.05 0.49 0.00 -0.01 0.00 0.00 175.02 175.84 1wil n ASP 19 N -0.14 0.45 -0.00 0.00 8.00 -1.18 -0.28 116.55 123.41 1wil n ASP 19 Ca 0.10 -0.19 0.01 0.00 0.71 0.00 0.00 54.79 55.42 1wil n ASP 19 Cb 0.50 0.08 -0.02 0.00 -0.02 0.00 0.00 41.12 41.65 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 -1.39 0.00 0.00 2.53 0.31 -1.26 -4.76 118.33 113.76 1wil n VAL 20 Ca 0.07 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 1wil n VAL 20 Cb 0.33 0.77 0.00 0.00 -0.91 0.00 0.00 33.84 34.04 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 -1.68 -6.67 -4.18 0.00 1.02 0.61 -4.86 120.64 104.88 1wil n GLU 22 Ca 0.00 0.74 -0.11 0.00 -0.02 0.00 0.00 57.16 57.77 1wil n GLU 22 Cb 0.36 -5.49 -0.10 0.00 -0.02 0.00 0.00 31.44 26.19 1wil n GLU 22 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1wil s VAL 23 N -3.29 0.03 0.30 2.62 0.11 -1.26 -4.67 120.40 114.23 1wil s VAL 23 Ca 0.35 -1.96 0.02 0.00 -2.93 0.00 0.00 61.98 57.46 1wil s VAL 23 Cb -0.15 -2.35 -0.05 0.00 -1.53 0.00 0.00 36.38 32.30 1wil s VAL 23 CO 0.65 -0.15 0.10 -1.66 -3.33 0.00 0.00 175.10 170.71 1wil s TRP 24 N -4.12 1.67 0.00 1.54 1.48 -1.26 -2.42 118.94 115.83 1wil s TRP 24 Ca 0.34 -1.18 -0.06 0.00 -1.06 0.00 0.00 56.10 54.15 1wil s TRP 24 Cb 0.07 -1.00 -0.00 0.00 -1.16 0.00 0.00 33.47 31.37 1wil s TRP 24 CO 0.09 -0.29 0.10 0.95 -4.06 0.00 0.00 176.95 173.74 1wil s THR 25 N -3.57 0.09 0.31 0.66 -4.23 -1.26 -4.96 115.64 102.67 1wil s THR 25 Ca 0.36 -0.70 0.08 0.00 -1.18 0.00 0.00 61.69 60.24 1wil s THR 25 Cb 0.07 -0.39 0.31 0.00 1.34 0.00 0.00 72.50 73.83 1wil s THR 25 CO 0.15 -0.39 1.77 0.00 -0.54 0.00 0.00 174.62 175.61 1wil h ALA 26 N 4.42 1.74 -2.33 3.99 0.00 -2.03 -3.42 119.26 121.63 1wil h ALA 26 Ca -0.31 0.09 -0.45 0.00 0.00 0.00 0.00 54.91 54.25 1wil h ALA 26 Cb 1.20 -0.05 0.16 0.00 0.00 0.00 0.00 17.79 19.10 1wil h ALA 26 CO 0.41 -0.14 0.21 -1.21 0.00 0.00 0.00 179.25 178.51 1wil s GLU 27 N -5.81 0.27 0.41 0.00 2.02 -1.26 -4.96 118.70 109.36 1wil s GLU 27 Ca -0.11 0.34 -0.27 0.00 0.02 0.00 0.00 54.97 54.95 1wil s GLU 27 Cb 0.26 -1.73 -0.10 0.00 0.10 0.00 0.00 34.13 32.65 1wil s GLU 27 CO 0.80 -2.80 1.41 0.43 0.02 0.00 0.00 175.26 175.12 1wil n SER 28 N -4.19 3.30 -4.32 -0.19 7.64 -1.26 -4.99 113.62 109.60 1wil n SER 28 Ca 0.07 1.17 -0.35 0.00 1.01 0.00 0.00 58.87 60.76 1wil n SER 28 Cb 0.58 -1.58 -0.14 0.00 -1.01 0.00 0.00 64.21 62.07 1wil n SER 28 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1wil s LEU 29 N -2.08 2.97 0.36 -3.43 2.96 -1.26 -4.99 118.68 113.22 1wil s LEU 29 Ca 0.57 -0.39 -0.13 0.00 -0.22 0.00 0.00 54.13 53.96 1wil s LEU 29 Cb -0.48 -1.76 -0.08 0.00 0.50 0.00 0.00 46.19 44.37 1wil s LEU 29 CO 0.61 -0.03 0.76 -0.36 -1.32 0.00 0.00 176.35 176.00 1wil s PHE 30 N 1.49 3.41 0.63 5.38 0.08 -1.26 -4.15 117.98 123.56 1wil s PHE 30 Ca 0.06 1.15 -0.11 0.00 0.12 0.00 0.00 56.93 58.15 1wil s PHE 30 Cb -0.14 -2.50 0.16 0.00 -0.57 0.00 0.00 43.02 39.96 1wil s PHE 30 CO -0.03 0.00 0.56 -0.35 -0.10 0.00 0.00 175.22 175.31 1wil n PRO 31 N -0.77 -2.11 -0.80 0.24 -0.04 -1.24 -2.21 135.00 128.07 1wil n PRO 31 Ca 0.03 -0.90 -0.26 0.00 -0.04 0.00 0.00 63.50 62.33 1wil n PRO 31 Cb 0.53 -0.84 -0.00 0.00 -0.04 0.00 0.00 33.50 33.15 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 0.23 0.71 -0.64 0.00 -0.00 -1.98 -1.15 114.38 111.55 1wil h ARG 33 Ca -0.22 -0.04 0.15 0.00 -0.00 0.00 0.00 59.98 59.86 1wil h ARG 33 Cb 0.89 -0.16 -0.03 0.00 -0.00 0.00 0.00 29.97 30.66 1wil h ARG 33 CO 0.29 0.47 0.44 0.28 -0.00 0.00 0.00 179.97 181.45 1wil h VAL 34 N 0.73 0.77 -1.13 0.08 2.07 -1.94 -3.36 116.25 113.46 1wil h VAL 34 Ca 0.28 -0.07 -0.38 0.00 0.82 0.00 0.00 66.70 67.34 1wil h VAL 34 Cb 0.18 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 1wil h VAL 34 CO -0.08 0.04 0.98 0.00 0.02 0.00 0.00 177.57 178.52 1wil n THR 36 N 7.55 -0.27 -2.60 0.00 -2.24 -1.26 -3.90 114.28 111.57 1wil n THR 36 Ca 0.33 1.46 -0.43 0.00 -2.27 0.00 0.00 64.05 63.14 1wil n THR 36 Cb 0.49 -2.04 -0.02 0.00 -2.10 0.00 0.00 70.33 66.66 1wil n THR 36 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1wil s ARG 37 N -5.75 4.28 -0.15 -0.78 3.52 -1.26 -4.88 118.95 113.94 1wil s ARG 37 Ca -0.09 1.45 -0.03 0.00 -0.13 0.00 0.00 55.73 56.93 1wil s ARG 37 Cb 0.18 -3.65 -0.03 0.00 -1.56 0.00 0.00 34.95 29.89 1wil s ARG 37 CO 0.50 -0.59 -0.05 0.14 -0.81 0.00 0.00 175.30 174.49 1wil s VAL 38 N 3.03 3.75 -0.16 7.11 -7.23 -1.25 -4.54 120.40 121.10 1wil s VAL 38 Ca 0.48 -0.41 -0.11 0.00 -1.81 0.00 0.00 61.98 60.13 1wil s VAL 38 Cb -0.18 -2.63 0.05 0.00 0.56 0.00 0.00 36.38 34.19 1wil s VAL 38 CO 0.11 0.50 0.40 0.72 -0.31 0.00 0.00 175.10 176.52 1wil s PHE 39 N 0.31 -0.53 0.21 2.82 -0.12 -0.94 -3.08 117.98 116.65 1wil s PHE 39 Ca -0.05 1.18 -0.30 0.00 -0.05 0.00 0.00 56.93 57.71 1wil s PHE 39 Cb -0.14 0.21 -0.09 0.00 -0.63 0.00 0.00 43.02 42.37 1wil s PHE 39 CO 0.03 -0.29 1.40 -1.01 -0.05 0.00 0.00 175.22 175.30 1wil s HIS 40 N 0.91 3.14 0.35 3.49 3.76 -1.26 -3.64 115.29 122.05 1wil s HIS 40 Ca -0.06 1.06 0.03 0.00 -0.15 0.00 0.00 55.06 55.95 1wil s HIS 40 Cb -0.06 -3.73 0.66 0.00 1.11 0.00 0.00 32.58 30.56 1wil s HIS 40 CO -0.07 -2.40 1.97 0.22 -0.85 0.00 0.00 174.74 173.61 1wil h ASP 41 N 5.52 0.73 -0.20 1.40 1.82 -2.01 -2.60 116.42 121.08 1wil h ASP 41 Ca -0.45 -0.01 -0.05 0.00 -0.39 0.00 0.00 57.03 56.14 1wil h ASP 41 Cb 1.21 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 41.05 1wil h ASP 41 CO 0.80 0.50 -0.05 1.23 -1.61 0.00 0.00 179.24 180.10 1wil h GLY 42 N 0.84 0.42 -0.13 -0.78 0.00 -1.99 -2.74 103.07 98.68 1wil h GLY 42 Ca 0.29 -0.35 0.30 0.00 0.00 0.00 0.00 47.33 47.57 1wil h GLY 42 CO -0.08 0.32 0.75 0.00 0.00 0.00 0.00 176.54 177.52 1wil h LEU 44 N 0.10 -0.09 -1.26 0.00 3.38 -1.45 -3.06 115.31 112.92 1wil h LEU 44 Ca 0.53 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.73 1wil h LEU 44 Cb 1.91 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 42.59 1wil h LEU 44 CO -0.07 0.18 0.63 0.08 0.09 0.00 0.00 178.44 179.35 1wil h ARG 45 N -0.59 0.49 0.35 1.13 0.11 -1.15 0.27 114.38 114.99 1wil h ARG 45 Ca -0.01 -0.03 -0.02 0.00 0.10 0.00 0.00 59.98 60.02 1wil h ARG 45 Cb 0.08 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.05 1wil h ARG 45 CO 0.02 0.33 -0.19 -0.09 0.10 0.00 0.00 179.97 180.13 1wil h ARG 46 N 0.51 -0.48 -0.35 0.08 1.12 -0.54 -3.22 114.38 111.50 1wil h ARG 46 Ca 0.57 0.03 0.03 0.00 -1.11 0.00 0.00 59.98 59.51 1wil h ARG 46 Cb 1.27 0.11 -0.03 0.00 -0.01 0.00 0.00 29.97 31.31 1wil h ARG 46 CO -0.31 -0.32 0.16 0.52 -3.11 0.00 0.00 179.97 176.91 1wil h MET 47 N -0.50 0.33 0.00 0.20 2.86 -1.33 -3.46 114.93 113.03 1wil h MET 47 Ca -0.05 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1wil h MET 47 Cb 0.39 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1wil h MET 47 CO 0.07 0.22 0.00 0.41 1.06 0.00 0.00 176.91 178.66 1wil n GLY 48 N -1.21 0.30 0.25 8.32 0.00 0.89 -4.99 105.19 108.76 1wil n GLY 48 Ca 0.01 -0.71 -0.20 0.00 0.00 0.00 0.00 46.02 45.11 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 0.12 1.61 4.01 -0.87 -4.44 117.16 117.59 1wil n TYR 49 Ca 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.67 1wil n TYR 49 Cb 0.00 -0.78 -0.04 0.00 -0.31 0.00 0.00 39.34 38.21 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 -0.52 0.00 0.00 -0.72 5.03 -1.91 -3.43 117.51 115.96 1wil h ILE 50 Ca -0.52 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.22 1wil h ILE 50 Cb 1.56 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 35.35 1wil h ILE 50 CO -0.25 0.00 -0.34 0.00 -0.68 0.00 0.00 178.15 176.88 1wil n GLN 51 N -3.50 0.24 0.00 2.37 10.64 -1.26 -5.11 117.38 120.75 1wil n GLN 51 Ca -0.05 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.12 1wil n GLN 51 Cb 0.18 -0.67 0.00 0.00 -0.86 0.00 0.00 30.24 28.89 1wil n GLN 51 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1wil n GLY 52 N 2.03 0.91 3.76 2.61 0.00 -1.26 -5.07 105.19 108.17 1wil n GLY 52 Ca 0.00 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.59 5.76 0.98 1.61 1.01 -1.26 -4.29 116.67 116.90 1wil s ASP 53 Ca 0.00 2.47 -0.14 0.00 0.71 0.00 0.00 52.55 55.59 1wil s ASP 53 Cb 0.00 -2.61 0.12 0.00 1.01 0.00 0.00 42.92 41.44 1wil s ASP 53 CO 0.00 -1.21 0.11 -1.20 0.21 0.00 0.00 175.17 173.08 1wil n SER 54 N -0.79 -2.84 -3.92 0.27 7.64 -1.26 -4.99 113.62 107.73 1wil n SER 54 Ca 0.09 -0.29 -0.09 0.00 1.01 0.00 0.00 58.87 59.59 1wil n SER 54 Cb 0.47 -0.75 -0.07 0.00 -1.01 0.00 0.00 64.21 62.85 1wil n SER 54 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wil s ALA 55 N -2.08 -0.07 0.56 -0.43 0.00 -1.26 -5.10 121.76 113.38 1wil s ALA 55 Ca 0.36 -0.77 0.07 0.00 0.00 0.00 0.00 51.96 51.61 1wil s ALA 55 Cb -0.05 0.65 0.07 0.00 0.00 0.00 0.00 23.12 23.79 1wil s ALA 55 CO 0.38 -0.56 0.58 0.00 0.00 0.00 0.00 175.76 176.16 1wil n ALA 56 N -0.12 1.02 -1.28 0.00 0.00 -1.26 -5.01 120.51 113.86 1wil n ALA 56 Ca -0.11 -2.16 -0.22 0.00 0.00 0.00 0.00 53.44 50.94 1wil n ALA 56 Cb 0.63 0.77 -0.06 0.00 0.00 0.00 0.00 19.45 20.78 1wil n ALA 56 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1wil n GLU 57 N -2.00 2.19 0.00 0.00 1.02 -1.26 -4.55 120.64 116.05 1wil n GLU 57 Ca 0.06 -1.90 0.00 0.00 -0.02 0.00 0.00 57.16 55.30 1wil n GLU 57 Cb 0.62 -2.00 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 1wil n GLU 57 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1wil n VAL 58 N 1.14 0.00 -1.69 2.62 0.31 -1.26 -4.73 118.33 114.72 1wil n VAL 58 Ca 0.44 0.68 0.02 0.00 -0.01 0.00 0.00 64.34 65.47 1wil n VAL 58 Cb 0.63 -1.51 0.03 0.00 -0.91 0.00 0.00 33.84 32.08 1wil n VAL 58 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1wil n THR 59 N -1.61 0.45 -3.06 2.52 5.66 -1.26 -4.97 114.28 112.01 1wil n THR 59 Ca 0.00 -0.54 -0.44 0.00 -3.05 0.00 0.00 64.05 60.02 1wil n THR 59 Cb 0.00 0.36 -0.00 0.00 -1.55 0.00 0.00 70.33 69.14 1wil n THR 59 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1wil s GLU 60 N -0.68 4.09 -0.23 1.09 0.41 -1.26 -4.92 118.70 117.19 1wil s GLU 60 Ca 0.07 -2.71 -0.11 0.00 -0.41 0.00 0.00 54.97 51.81 1wil s GLU 60 Cb 0.06 -4.91 0.08 0.00 -1.78 0.00 0.00 34.13 27.59 1wil s GLU 60 CO 0.01 -1.62 0.53 -1.64 -0.49 0.00 0.00 175.26 172.05 1wil s MET 61 N 0.84 0.50 -0.08 1.61 -1.94 -1.26 -4.95 119.30 114.02 1wil s MET 61 Ca 0.38 1.06 -0.02 0.00 -1.71 0.00 0.00 55.69 55.41 1wil s MET 61 Cb -0.05 0.21 -0.01 0.00 2.01 0.00 0.00 34.83 37.00 1wil s MET 61 CO -0.03 -0.18 -0.03 0.00 -0.01 0.00 0.00 175.02 174.77 1wil h ALA 62 N 7.40 0.00 -0.85 3.03 0.00 -1.96 -3.42 119.26 123.45 1wil h ALA 62 Ca -0.28 -0.10 -0.35 0.00 0.00 0.00 0.00 54.91 54.18 1wil h ALA 62 Cb 1.17 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 1wil h ALA 62 CO 0.19 0.09 0.88 -1.58 0.00 0.00 0.00 179.25 178.83 1wil s HIS 63 N -1.52 1.86 0.15 0.00 2.46 -1.26 -3.71 115.29 113.27 1wil s HIS 63 Ca -0.03 0.52 0.00 0.00 0.47 0.00 0.00 55.06 56.02 1wil s HIS 63 Cb 0.00 -4.11 0.00 0.00 -0.13 0.00 0.00 32.58 28.34 1wil s HIS 63 CO 0.04 -1.83 0.00 0.25 -2.47 0.00 0.00 174.74 170.72 1wil n THR 64 N 7.70 0.72 0.08 0.89 -2.24 -1.26 -5.05 114.28 115.12 1wil n THR 64 Ca 0.37 0.24 0.00 0.00 -2.27 0.00 0.00 64.05 62.39 1wil n THR 64 Cb 0.48 -1.22 0.00 0.00 -2.10 0.00 0.00 70.33 67.49 1wil n THR 64 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1wil n GLU 65 N -3.42 0.00 -0.01 -0.78 1.02 -1.26 -5.01 120.64 111.18 1wil n GLU 65 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.12 1wil n GLU 65 Cb 0.04 -0.31 -0.01 0.00 -0.02 0.00 0.00 31.44 31.14 1wil n GLU 65 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1wil n THR 66 N -3.42 0.14 0.00 2.62 -2.24 -1.26 -5.15 114.28 104.97 1wil n THR 66 Ca 0.00 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1wil n THR 66 Cb 0.00 -1.31 0.00 0.00 -2.10 0.00 0.00 70.33 66.92 1wil n THR 66 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wil n GLY 67 N 2.97 4.53 3.90 3.38 0.00 -1.26 -5.01 105.19 113.71 1wil n GLY 67 Ca -0.05 -0.97 -0.31 0.00 0.00 0.00 0.00 46.02 44.69 1wil n GLY 67 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wil s TRP 68 N -1.69 3.49 -0.31 1.61 0.52 -1.24 -5.04 118.94 116.28 1wil s TRP 68 Ca 0.00 0.25 -0.29 0.00 0.02 0.00 0.00 56.10 56.08 1wil s TRP 68 Cb 0.00 -1.76 0.01 0.00 -1.15 0.00 0.00 33.47 30.57 1wil s TRP 68 CO 0.00 0.59 1.14 -1.12 0.02 0.00 0.00 176.95 177.58 1wil s SER 69 N -2.37 6.88 0.98 2.95 0.01 -1.26 -4.95 113.70 115.94 1wil s SER 69 Ca 0.33 1.13 -0.14 0.00 1.31 0.00 0.00 55.95 58.58 1wil s SER 69 Cb -0.13 -2.54 0.13 0.00 0.21 0.00 0.00 66.02 63.69 1wil s SER 69 CO 0.25 -0.92 0.17 0.00 0.41 0.00 0.00 173.24 173.16 1wil h HIS 71 N -2.50 0.28 -1.09 0.00 2.76 -2.00 -2.99 115.15 109.62 1wil h HIS 71 Ca -0.26 0.00 -0.64 0.00 -2.20 0.00 0.00 60.37 57.27 1wil h HIS 71 Cb 0.80 -0.09 -0.34 0.00 1.55 0.00 0.00 27.41 29.33 1wil h HIS 71 CO -2.51 0.21 0.23 0.66 -1.30 0.00 0.00 177.93 175.21 1wil n TYR 72 N -4.92 3.07 -2.62 5.26 4.02 -1.26 -4.59 117.16 116.11 1wil n TYR 72 Ca -0.03 -2.70 -0.11 0.00 -0.01 0.00 0.00 57.90 55.06 1wil n TYR 72 Cb 0.04 -0.95 0.03 0.00 -0.02 0.00 0.00 39.34 38.44 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 -3.42 -0.12 -0.15 0.00 2.15 -1.26 -4.32 116.67 109.55 1wil s ASP 74 Ca 0.33 -0.31 -0.10 0.00 0.43 0.00 0.00 52.55 52.89 1wil s ASP 74 Cb 0.41 0.36 -0.07 0.00 -0.30 0.00 0.00 42.92 43.32 1wil s ASP 74 CO -0.02 -0.67 -0.24 -3.20 -0.17 0.00 0.00 175.17 170.88 1wil n ASN 75 N -0.52 1.41 -4.49 -0.34 2.85 -1.26 -4.87 115.26 108.04 1wil n ASN 75 Ca -0.07 0.24 -0.42 0.00 -0.11 0.00 0.00 54.58 54.22 1wil n ASN 75 Cb 0.61 -0.56 -0.03 0.00 1.24 0.00 0.00 39.78 41.04 1wil n ASN 75 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1wil s ILE 76 N -2.42 4.20 -0.41 -1.44 1.01 -1.26 -4.99 121.20 115.89 1wil s ILE 76 Ca -0.24 -0.49 -0.22 0.00 0.00 0.00 0.00 60.65 59.70 1wil s ILE 76 Cb 0.08 -4.82 0.02 0.00 0.01 0.00 0.00 42.46 37.74 1wil s ILE 76 CO 0.31 -1.64 0.73 0.21 0.00 0.00 0.00 174.94 174.55 1wil s ASN 77 N 3.91 6.43 0.58 3.58 3.84 -1.26 -5.05 114.94 126.97 1wil s ASN 77 Ca 0.31 0.02 -0.06 0.00 0.21 0.00 0.00 52.86 53.34 1wil s ASN 77 Cb -0.10 -2.36 0.00 0.00 -0.55 0.00 0.00 41.25 38.24 1wil s ASN 77 CO 0.04 -0.78 0.90 -0.22 -2.79 0.00 0.00 177.10 174.25 1wil s LEU 78 N 3.04 3.26 -0.06 3.21 2.96 -1.26 -5.09 118.68 124.75 1wil s LEU 78 Ca 0.28 0.79 0.05 0.00 -0.22 0.00 0.00 54.13 55.03 1wil s LEU 78 Cb -0.13 -3.64 -0.02 0.00 0.50 0.00 0.00 46.19 42.90 1wil s LEU 78 CO 0.19 -1.01 -0.19 -1.48 -1.32 0.00 0.00 176.35 172.53 1wil s LEU 79 N -4.99 2.42 1.01 -0.68 0.05 -1.26 -5.12 118.68 110.12 1wil s LEU 79 Ca 0.53 -0.35 -0.21 0.00 0.05 0.00 0.00 54.13 54.15 1wil s LEU 79 Cb -0.11 -1.47 -0.03 0.00 -2.05 0.00 0.00 46.19 42.53 1wil s LEU 79 CO 0.46 0.29 -0.69 0.00 -0.55 0.00 0.00 176.35 175.86 1wil n LEU 80 N 2.66 -2.53 -4.80 1.48 -0.00 -1.26 -4.95 117.00 107.61 1wil n LEU 80 Ca -0.17 -0.09 -0.29 0.00 -0.00 0.00 0.00 56.01 55.46 1wil n LEU 80 Cb 0.52 -0.69 0.13 0.00 -0.00 0.00 0.00 43.42 43.38 1wil n LEU 80 CO 0.26 -2.75 0.72 0.42 -0.00 0.00 0.00 177.39 176.04 1wil s THR 81 N -2.09 2.00 -0.46 1.47 -4.23 -1.26 -4.93 115.64 106.14 1wil s THR 81 Ca 0.41 0.00 -0.28 0.00 -1.18 0.00 0.00 61.69 60.64 1wil s THR 81 Cb 0.00 -2.77 -0.02 0.00 1.34 0.00 0.00 72.50 71.06 1wil s THR 81 CO 0.58 0.00 1.78 -0.70 -0.54 0.00 0.00 174.62 175.74 1wil s GLU 82 N -5.31 3.06 -0.28 3.99 2.56 -1.26 -4.92 118.70 116.55 1wil s GLU 82 Ca 0.64 1.03 -0.22 0.00 0.00 0.00 0.00 54.97 56.42 1wil s GLU 82 Cb -0.14 -4.26 0.11 0.00 2.00 0.00 0.00 34.13 31.83 1wil s GLU 82 CO 0.53 -2.20 0.90 -2.00 -0.56 0.00 0.00 175.26 171.93 1wil s GLU 83 N 6.17 0.60 -0.04 4.30 2.12 -1.26 -5.07 118.70 125.52 1wil s GLU 83 Ca 0.73 0.80 -0.25 0.00 0.36 0.00 0.00 54.97 56.60 1wil s GLU 83 Cb -0.17 0.25 -0.19 0.00 0.26 0.00 0.00 34.13 34.27 1wil s GLU 83 CO 0.28 -0.09 1.11 1.03 -0.54 0.00 0.00 175.26 177.06 1wil h SER 84 N 5.08 -0.07 0.00 -1.70 0.87 -2.05 -3.48 113.55 112.20 1wil h SER 84 Ca -0.29 -0.48 0.00 0.00 -1.23 0.00 0.00 61.79 59.79 1wil h SER 84 Cb 1.18 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1wil h SER 84 CO 0.11 0.48 0.00 0.61 -0.53 0.00 0.00 176.83 177.50 1wil n GLY 85 N 0.43 0.18 3.77 5.77 0.00 -1.26 -5.08 105.19 109.00 1wil n GLY 85 Ca -0.09 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 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 2.79 -0.16 1.61 0.04 -1.26 -5.02 135.00 133.00 1wil s PRO 86 Ca 0.00 1.38 -0.06 0.00 0.04 0.00 0.00 61.00 62.36 1wil s PRO 86 Cb 0.00 -1.95 0.07 0.00 0.04 0.00 0.00 34.50 32.66 1wil s PRO 86 CO 0.00 -1.26 0.35 -1.54 0.04 0.00 0.00 177.00 174.59 1wil s SER 87 N -2.60 -0.11 0.70 6.66 1.04 -1.26 -5.07 113.70 113.05 1wil s SER 87 Ca 0.67 0.79 -0.12 0.00 0.48 0.00 0.00 55.95 57.77 1wil s SER 87 Cb -0.20 0.92 0.02 0.00 0.10 0.00 0.00 66.02 66.85 1wil s SER 87 CO 0.42 -0.22 1.08 -0.55 0.98 0.00 0.00 173.24 174.94 1wil s SER 88 N 2.16 5.13 0.00 7.02 0.15 -1.26 -5.25 113.70 121.65 1wil s SER 88 Ca -0.03 1.76 0.00 0.00 0.70 0.00 0.00 55.95 58.38 1wil s SER 88 Cb -0.11 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1wil s SER 88 CO -0.11 -1.62 0.00 0.61 1.20 0.00 0.00 173.24 173.33