#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 5.09 0.29 1.61 0.01 -1.26 -5.12 113.70 114.33 1wil s SER 2 Ca 0.00 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.22 1wil s SER 2 Cb 0.00 -1.31 -0.02 0.00 0.21 0.00 0.00 66.02 64.90 1wil s SER 2 CO 0.00 0.26 0.32 -0.44 0.41 0.00 0.00 173.24 173.79 1wil s SER 3 N -1.70 0.89 -0.06 2.44 0.01 -1.26 -5.17 113.70 108.86 1wil s SER 3 Ca 0.21 -1.50 -0.00 0.00 1.31 0.00 0.00 55.95 55.96 1wil s SER 3 Cb -0.12 0.55 0.02 0.00 0.21 0.00 0.00 66.02 66.69 1wil s SER 3 CO 0.12 -1.09 -0.02 -0.83 0.41 0.00 0.00 173.24 171.83 1wil s GLY 4 N -3.24 0.45 -0.28 3.44 0.00 -1.26 -5.11 107.32 101.32 1wil s GLY 4 Ca 0.35 -0.07 0.00 0.00 0.00 0.00 0.00 44.72 45.01 1wil s GLY 4 CO 0.20 0.75 0.03 -0.45 0.00 0.00 0.00 173.10 173.62 1wil s SER 5 N 1.37 3.99 -0.11 1.64 0.15 -1.26 -5.09 113.70 114.39 1wil s SER 5 Ca -0.04 -1.48 -0.05 0.00 0.70 0.00 0.00 55.95 55.07 1wil s SER 5 Cb -0.13 -1.10 0.05 0.00 -1.71 0.00 0.00 66.02 63.13 1wil s SER 5 CO -0.02 -0.33 0.25 -0.94 1.20 0.00 0.00 173.24 173.40 1wil s SER 6 N 1.42 -0.02 0.00 5.45 1.04 -1.26 -5.12 113.70 115.21 1wil s SER 6 Ca 0.03 0.55 0.00 0.00 0.48 0.00 0.00 55.95 57.01 1wil s SER 6 Cb -0.18 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1wil s SER 6 CO -0.13 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.50 1wil n GLY 7 N 4.66 2.12 0.00 7.32 0.00 -1.26 -4.97 105.19 113.06 1wil n GLY 7 Ca -0.18 -2.12 0.08 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.76 0.34 -3.69 1.61 -0.04 -1.26 -4.71 135.00 126.49 1wil n PRO 8 Ca 0.00 0.08 -0.36 0.00 -0.04 0.00 0.00 63.50 63.18 1wil n PRO 8 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 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 -2.31 3.67 -0.07 0.54 3.52 -1.26 -5.02 118.95 118.02 1wil s ARG 9 Ca 0.18 0.09 -0.35 0.00 -0.13 0.00 0.00 55.73 55.52 1wil s ARG 9 Cb 0.10 -3.13 -0.13 0.00 -1.56 0.00 0.00 34.95 30.24 1wil s ARG 9 CO 0.21 0.68 1.81 0.39 -0.81 0.00 0.00 175.30 177.57 1wil n GLU 10 N 1.48 2.05 -2.20 5.12 1.02 -1.26 -4.90 120.64 121.95 1wil n GLU 10 Ca -0.14 0.75 -0.42 0.00 -0.02 0.00 0.00 57.16 57.33 1wil n GLU 10 Cb 0.53 -2.56 -0.03 0.00 -0.02 0.00 0.00 31.44 29.36 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 3.46 4.33 0.10 3.49 0.04 -1.26 -5.01 135.00 140.14 1wil s PRO 11 Ca 0.91 2.03 -0.20 0.00 0.04 0.00 0.00 61.00 63.78 1wil s PRO 11 Cb -0.73 -3.30 -0.07 0.00 0.04 0.00 0.00 34.50 30.43 1wil s PRO 11 CO 0.51 -0.44 0.61 0.14 0.04 0.00 0.00 177.00 177.85 1wil s VAL 12 N 1.28 4.68 -0.03 -0.36 -7.23 -1.26 -5.08 120.40 112.40 1wil s VAL 12 Ca 0.64 1.28 0.01 0.00 -1.81 0.00 0.00 61.98 62.10 1wil s VAL 12 Cb -0.35 -3.93 -0.03 0.00 0.56 0.00 0.00 36.38 32.63 1wil s VAL 12 CO 0.30 0.52 -0.03 -0.69 -0.31 0.00 0.00 175.10 174.89 1wil s VAL 13 N -1.15 3.96 0.65 1.32 1.01 -1.26 -5.13 120.40 119.81 1wil s VAL 13 Ca 0.31 -0.54 -0.00 0.00 0.00 0.00 0.00 61.98 61.75 1wil s VAL 13 Cb -0.20 -2.70 0.09 0.00 0.00 0.00 0.00 36.38 33.57 1wil s VAL 13 CO 0.20 0.48 0.91 0.20 0.00 0.00 0.00 175.10 176.89 1wil s ASN 14 N -1.21 4.73 0.03 3.32 -0.87 -1.26 -5.06 114.94 114.62 1wil s ASN 14 Ca 0.16 -0.17 0.00 0.00 -1.57 0.00 0.00 52.86 51.27 1wil s ASN 14 Cb -0.11 -0.42 0.00 0.00 -0.02 0.00 0.00 41.25 40.70 1wil s ASN 14 CO 0.06 -1.57 0.00 -0.67 -2.57 0.00 0.00 177.10 172.35 1wil n ASP 15 N -2.65 0.24 -3.94 -1.22 2.03 -1.26 -5.06 116.55 104.69 1wil n ASP 15 Ca 0.12 0.04 -0.22 0.00 0.52 0.00 0.00 54.79 55.25 1wil n ASP 15 Cb 0.60 -0.07 -0.16 0.00 -0.72 0.00 0.00 41.12 40.77 1wil n ASP 15 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1wil s GLU 16 N -2.00 1.16 0.03 -0.67 -1.05 -1.26 -5.07 118.70 109.84 1wil s GLU 16 Ca 0.00 -0.22 0.03 0.00 -0.15 0.00 0.00 54.97 54.63 1wil s GLU 16 Cb 0.00 -1.06 -0.02 0.00 -0.44 0.00 0.00 34.13 32.61 1wil s GLU 16 CO 0.00 -0.04 -0.10 -1.64 0.95 0.00 0.00 175.26 174.43 1wil s MET 17 N 0.84 0.67 0.60 -4.83 -1.94 -1.26 -4.26 119.30 109.11 1wil s MET 17 Ca -0.12 -0.65 -0.18 0.00 -1.71 0.00 0.00 55.69 53.03 1wil s MET 17 Cb -0.15 -0.58 -0.06 0.00 2.01 0.00 0.00 34.83 36.05 1wil s MET 17 CO 0.01 0.14 0.71 0.00 -0.01 0.00 0.00 175.02 175.87 1wil n ASP 19 N -0.15 0.80 0.00 0.00 2.03 -1.07 -0.69 116.55 117.48 1wil n ASP 19 Ca 0.13 -1.32 0.00 0.00 0.52 0.00 0.00 54.79 54.12 1wil n ASP 19 Cb 0.48 -0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 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 -0.36 0.00 -0.02 5.18 0.31 -1.26 -4.82 118.33 117.37 1wil n VAL 20 Ca 0.20 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.55 1wil n VAL 20 Cb 0.23 -0.36 -0.08 0.00 -0.91 0.00 0.00 33.84 32.73 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 -6.44 -4.06 0.00 1.02 0.14 -4.86 120.64 104.40 1wil n GLU 22 Ca -0.07 0.70 -0.13 0.00 -0.02 0.00 0.00 57.16 57.64 1wil n GLU 22 Cb 0.46 -5.63 -0.12 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 -3.35 0.44 0.49 2.62 -7.23 -1.26 -4.69 120.40 107.42 1wil s VAL 23 Ca 0.54 -0.87 0.02 0.00 -1.81 0.00 0.00 61.98 59.86 1wil s VAL 23 Cb -0.26 -0.50 -0.03 0.00 0.56 0.00 0.00 36.38 36.16 1wil s VAL 23 CO 0.79 -0.30 0.01 -1.66 -0.31 0.00 0.00 175.10 173.62 1wil s TRP 24 N -1.13 2.00 0.00 2.82 1.48 -1.26 -2.79 118.94 120.06 1wil s TRP 24 Ca -0.08 -0.90 -0.15 0.00 -1.06 0.00 0.00 56.10 53.90 1wil s TRP 24 Cb -0.08 -1.64 0.03 0.00 -1.16 0.00 0.00 33.47 30.62 1wil s TRP 24 CO 0.00 0.27 0.33 0.95 -4.06 0.00 0.00 176.95 174.44 1wil s THR 25 N -2.85 0.06 0.34 0.66 -4.23 -1.26 -5.04 115.64 103.32 1wil s THR 25 Ca 0.12 -0.51 0.04 0.00 -1.18 0.00 0.00 61.69 60.17 1wil s THR 25 Cb 0.03 -0.74 0.29 0.00 1.34 0.00 0.00 72.50 73.42 1wil s THR 25 CO 0.06 -0.28 1.93 0.00 -0.54 0.00 0.00 174.62 175.79 1wil h ALA 26 N 3.59 1.64 -2.04 3.99 0.00 -2.02 -3.43 119.26 120.99 1wil h ALA 26 Ca -0.30 -0.02 -0.43 0.00 0.00 0.00 0.00 54.91 54.16 1wil h ALA 26 Cb 1.18 -0.22 0.18 0.00 0.00 0.00 0.00 17.79 18.93 1wil h ALA 26 CO 0.42 0.22 0.26 -1.21 0.00 0.00 0.00 179.25 178.94 1wil s GLU 27 N -5.77 -0.36 0.06 0.00 0.41 -1.26 -4.95 118.70 106.83 1wil s GLU 27 Ca -0.10 -0.19 -0.31 0.00 -0.41 0.00 0.00 54.97 53.96 1wil s GLU 27 Cb 0.20 -1.71 -0.08 0.00 -1.78 0.00 0.00 34.13 30.76 1wil s GLU 27 CO 0.78 -3.12 1.58 -1.12 -0.49 0.00 0.00 175.26 172.90 1wil s SER 28 N -4.30 6.67 0.02 -0.19 0.01 -1.26 -4.99 113.70 109.65 1wil s SER 28 Ca 0.72 2.39 -0.15 0.00 1.31 0.00 0.00 55.95 60.22 1wil s SER 28 Cb -0.08 -2.56 -0.06 0.00 0.21 0.00 0.00 66.02 63.53 1wil s SER 28 CO 0.55 -0.84 0.44 -0.22 0.41 0.00 0.00 173.24 173.58 1wil s LEU 29 N 2.49 4.48 0.42 2.44 0.20 -1.26 -5.05 118.68 122.41 1wil s LEU 29 Ca 0.71 1.02 -0.16 0.00 0.69 0.00 0.00 54.13 56.39 1wil s LEU 29 Cb -0.38 -2.65 -0.09 0.00 -0.43 0.00 0.00 46.19 42.64 1wil s LEU 29 CO 0.31 0.31 0.87 -0.36 -0.29 0.00 0.00 176.35 177.19 1wil s PHE 30 N -1.09 3.40 -0.02 5.38 0.40 -1.26 -2.99 117.98 121.80 1wil s PHE 30 Ca 0.25 1.35 -0.26 0.00 -0.60 0.00 0.00 56.93 57.67 1wil s PHE 30 Cb -0.17 -2.67 -0.20 0.00 0.51 0.00 0.00 43.02 40.49 1wil s PHE 30 CO 0.14 -0.13 1.25 -1.00 0.70 0.00 0.00 175.22 176.18 1wil h PRO 31 N 1.56 -0.03 0.00 0.24 0.13 -1.86 -2.44 132.00 129.61 1wil h PRO 31 Ca -0.48 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.35 1wil h PRO 31 Cb 1.18 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.24 1wil h PRO 31 CO 0.63 0.45 -0.29 0.00 -0.23 0.00 0.00 178.00 178.56 1wil n ARG 33 N -0.41 1.04 -0.01 0.00 1.85 -1.26 -4.68 116.66 113.18 1wil n ARG 33 Ca 0.05 0.04 -0.01 0.00 -1.00 0.00 0.00 57.85 56.93 1wil n ARG 33 Cb 0.40 -1.41 -0.01 0.00 -1.05 0.00 0.00 32.46 30.39 1wil n ARG 33 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1wil h VAL 34 N 0.00 0.00 -1.94 8.89 2.07 -1.96 -3.43 116.25 119.89 1wil h VAL 34 Ca -0.45 0.00 -0.54 0.00 0.82 0.00 0.00 66.70 66.53 1wil h VAL 34 Cb 1.89 0.00 0.22 0.00 -1.52 0.00 0.00 31.29 31.88 1wil h VAL 34 CO -0.01 0.00 -1.63 0.00 0.02 0.00 0.00 177.57 175.95 1wil n THR 36 N -2.17 3.09 -3.59 0.00 -2.24 -1.26 -4.87 114.28 103.23 1wil n THR 36 Ca 0.01 -2.36 -0.04 0.00 -2.27 0.00 0.00 64.05 59.38 1wil n THR 36 Cb 0.52 -1.44 -0.02 0.00 -2.10 0.00 0.00 70.33 67.30 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 -1.95 0.34 -0.03 -0.78 3.52 -1.26 -5.13 118.95 113.66 1wil s ARG 37 Ca 0.46 -0.13 0.01 0.00 -0.13 0.00 0.00 55.73 55.94 1wil s ARG 37 Cb 0.33 0.15 0.02 0.00 -1.56 0.00 0.00 34.95 33.88 1wil s ARG 37 CO -0.10 -0.15 -0.04 0.14 -0.81 0.00 0.00 175.30 174.34 1wil s VAL 38 N -2.45 0.46 -0.18 7.11 -7.23 -1.26 -4.82 120.40 112.03 1wil s VAL 38 Ca 0.09 -0.13 -0.07 0.00 -1.81 0.00 0.00 61.98 60.07 1wil s VAL 38 Cb -0.01 -0.47 0.08 0.00 0.56 0.00 0.00 36.38 36.54 1wil s VAL 38 CO -0.05 0.19 0.40 0.72 -0.31 0.00 0.00 175.10 176.05 1wil s PHE 39 N 0.63 -0.70 -0.06 2.82 -0.12 -0.92 -2.59 117.98 117.04 1wil s PHE 39 Ca -0.08 1.40 -0.30 0.00 -0.05 0.00 0.00 56.93 57.90 1wil s PHE 39 Cb -0.11 0.26 -0.04 0.00 -0.63 0.00 0.00 43.02 42.49 1wil s PHE 39 CO -0.00 -0.43 1.39 -1.01 -0.05 0.00 0.00 175.22 175.13 1wil s HIS 40 N 2.25 2.70 0.26 3.49 3.76 -1.25 -2.97 115.29 123.52 1wil s HIS 40 Ca -0.04 0.78 -0.04 0.00 -0.15 0.00 0.00 55.06 55.61 1wil s HIS 40 Cb -0.11 -3.65 0.51 0.00 1.11 0.00 0.00 32.58 30.45 1wil s HIS 40 CO -0.12 -2.42 1.64 0.22 -0.85 0.00 0.00 174.74 173.21 1wil h ASP 41 N 8.26 -0.22 -0.06 1.40 3.58 -2.00 0.76 116.42 128.14 1wil h ASP 41 Ca -0.35 0.19 0.02 0.00 0.42 0.00 0.00 57.03 57.31 1wil h ASP 41 Cb 1.16 0.31 -0.00 0.00 1.72 0.00 0.00 39.33 42.51 1wil h ASP 41 CO 0.93 -0.16 0.07 1.23 -2.88 0.00 0.00 179.24 178.43 1wil h GLY 42 N 0.15 0.00 1.70 -0.78 0.00 -1.99 0.84 103.07 102.99 1wil h GLY 42 Ca 0.45 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.52 1wil h GLY 42 CO -0.65 0.00 -1.20 0.00 0.00 0.00 0.00 176.54 174.69 1wil h LEU 44 N 0.06 0.57 -1.92 0.00 3.38 -0.52 -3.22 115.31 113.66 1wil h LEU 44 Ca -0.11 -0.85 0.05 0.00 0.09 0.00 0.00 57.88 57.05 1wil h LEU 44 Cb 1.93 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.49 1wil h LEU 44 CO 0.18 1.36 0.16 0.08 0.09 0.00 0.00 178.44 180.32 1wil h ARG 45 N -0.15 0.10 0.39 1.13 -0.00 -1.01 0.22 114.38 115.06 1wil h ARG 45 Ca -0.12 -0.01 -0.02 0.00 -0.00 0.00 0.00 59.98 59.83 1wil h ARG 45 Cb 1.55 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 31.50 1wil h ARG 45 CO 0.15 0.07 -0.19 -0.09 -0.00 0.00 0.00 179.97 179.92 1wil h ARG 46 N 0.11 -0.50 0.40 0.08 9.65 -1.58 -3.35 114.38 119.18 1wil h ARG 46 Ca 0.10 0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 59.00 1wil h ARG 46 Cb 0.29 0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.98 1wil h ARG 46 CO -0.01 -0.33 -0.19 0.52 2.80 0.00 0.00 179.97 182.75 1wil h MET 47 N -0.69 -0.52 0.00 0.20 2.86 -1.53 -3.48 114.93 111.77 1wil h MET 47 Ca -0.05 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1wil h MET 47 Cb 0.40 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.18 1wil h MET 47 CO 0.09 -0.30 0.00 0.41 1.06 0.00 0.00 176.91 178.16 1wil n GLY 48 N -1.13 0.80 0.13 8.32 0.00 0.73 -5.02 105.19 109.01 1wil n GLY 48 Ca -0.11 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.73 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 0.75 -0.07 1.61 4.01 -0.85 -4.58 117.16 118.03 1wil n TYR 49 Ca 0.00 0.18 -0.07 0.00 -0.16 0.00 0.00 57.90 57.85 1wil n TYR 49 Cb 0.00 -1.10 -0.11 0.00 -0.31 0.00 0.00 39.34 37.82 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 -3.30 0.93 -3.69 -0.72 -5.35 -1.26 -5.07 119.36 100.90 1wil n ILE 50 Ca -0.34 -0.58 0.00 0.00 -0.27 0.00 0.00 62.75 61.56 1wil n ILE 50 Cb 1.04 -0.64 -0.00 0.00 -1.74 0.00 0.00 39.64 38.30 1wil n ILE 50 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wil s GLN 51 N -2.33 0.63 0.00 6.28 -2.07 -1.26 -5.06 119.66 115.84 1wil s GLN 51 Ca -0.07 -0.35 0.00 0.00 -1.82 0.00 0.00 55.36 53.12 1wil s GLN 51 Cb 0.04 0.21 0.00 0.00 -1.09 0.00 0.00 33.01 32.17 1wil s GLN 51 CO 0.56 -0.29 0.00 0.41 -1.32 0.00 0.00 175.29 174.65 1wil n GLY 52 N -0.52 0.60 0.31 2.60 0.00 -1.26 -4.15 105.19 102.77 1wil n GLY 52 Ca -0.07 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.12 -3.77 1.61 5.75 -1.26 -4.55 116.55 114.22 1wil n ASP 53 Ca 0.00 1.52 -0.12 0.00 -0.01 0.00 0.00 54.79 56.18 1wil n ASP 53 Cb 0.00 -0.55 -0.08 0.00 -1.03 0.00 0.00 41.12 39.46 1wil n ASP 53 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1wil s SER 54 N -5.02 -0.13 0.01 -1.12 1.04 -1.26 -5.17 113.70 102.05 1wil s SER 54 Ca -0.12 -0.12 0.05 0.00 0.48 0.00 0.00 55.95 56.25 1wil s SER 54 Cb 0.26 0.33 -0.03 0.00 0.10 0.00 0.00 66.02 66.69 1wil s SER 54 CO 0.70 -0.55 -0.13 0.00 0.98 0.00 0.00 173.24 174.24 1wil s ALA 55 N -2.13 2.77 -0.05 5.32 0.00 -1.26 -5.06 121.76 121.35 1wil s ALA 55 Ca -0.08 -1.08 0.06 0.00 0.00 0.00 0.00 51.96 50.87 1wil s ALA 55 Cb -0.02 -0.94 -0.01 0.00 0.00 0.00 0.00 23.12 22.15 1wil s ALA 55 CO -0.01 0.58 -0.24 0.00 0.00 0.00 0.00 175.76 176.09 1wil s ALA 56 N -0.91 2.09 -0.06 0.00 0.00 -1.26 -5.02 121.76 116.61 1wil s ALA 56 Ca 0.15 -1.03 -0.03 0.00 0.00 0.00 0.00 51.96 51.04 1wil s ALA 56 Cb -0.11 -0.62 -0.11 0.00 0.00 0.00 0.00 23.12 22.27 1wil s ALA 56 CO 0.05 0.43 2.88 -0.85 0.00 0.00 0.00 175.76 178.27 1wil n GLU 57 N 2.84 1.68 -3.70 0.00 0.28 -1.26 -4.87 120.64 115.62 1wil n GLU 57 Ca -0.17 -0.81 -0.36 0.00 -0.16 0.00 0.00 57.16 55.66 1wil n GLU 57 Cb 0.52 -1.64 -0.09 0.00 1.43 0.00 0.00 31.44 31.66 1wil n GLU 57 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1wil s VAL 58 N 0.15 5.36 0.26 3.84 1.01 -1.26 -5.05 120.40 124.72 1wil s VAL 58 Ca 0.41 0.18 -0.26 0.00 0.00 0.00 0.00 61.98 62.30 1wil s VAL 58 Cb 0.21 -3.48 -0.16 0.00 0.00 0.00 0.00 36.38 32.95 1wil s VAL 58 CO -0.02 0.38 0.43 0.41 0.00 0.00 0.00 175.10 176.31 1wil n THR 59 N 3.97 1.65 -4.86 3.92 -1.04 -1.26 -4.97 114.28 111.70 1wil n THR 59 Ca -0.15 -0.50 -0.28 0.00 -2.04 0.00 0.00 64.05 61.08 1wil n THR 59 Cb 0.52 -0.06 -0.17 0.00 -1.82 0.00 0.00 70.33 68.80 1wil n THR 59 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 1wil s GLU 60 N -1.04 2.25 -0.03 -2.82 -1.05 -1.26 -5.13 118.70 109.61 1wil s GLU 60 Ca 0.63 -0.61 0.01 0.00 -0.15 0.00 0.00 54.97 54.85 1wil s GLU 60 Cb -0.84 -1.77 0.02 0.00 -0.44 0.00 0.00 34.13 31.10 1wil s GLU 60 CO 0.58 0.10 -0.05 -1.64 0.95 0.00 0.00 175.26 175.20 1wil s MET 61 N 0.50 0.80 0.00 -4.83 -1.94 -1.26 -5.02 119.30 107.55 1wil s MET 61 Ca -0.16 -0.15 0.00 0.00 -1.71 0.00 0.00 55.69 53.67 1wil s MET 61 Cb -0.16 -0.79 0.00 0.00 2.01 0.00 0.00 34.83 35.89 1wil s MET 61 CO 0.06 -0.02 0.00 0.00 -0.01 0.00 0.00 175.02 175.05 1wil n ALA 62 N 3.75 2.21 -0.84 3.03 0.00 -1.26 -3.06 120.51 124.35 1wil n ALA 62 Ca -0.23 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.12 1wil n ALA 62 Cb 0.52 0.49 -0.07 0.00 0.00 0.00 0.00 19.45 20.39 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 -2.59 0.31 -3.92 0.00 -0.00 -1.26 -4.46 115.22 103.30 1wil n HIS 63 Ca 0.00 -1.39 -0.10 0.00 -0.00 0.00 0.00 57.72 56.22 1wil n HIS 63 Cb 0.49 -1.08 -0.12 0.00 -0.00 0.00 0.00 29.99 29.28 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 -0.04 0.07 0.30 3.57 -4.23 -1.26 -5.09 115.64 108.96 1wil s THR 64 Ca 0.36 -0.56 -0.27 0.00 -1.18 0.00 0.00 61.69 60.05 1wil s THR 64 Cb 0.19 -0.21 -0.14 0.00 1.34 0.00 0.00 72.50 73.68 1wil s THR 64 CO -0.02 -0.31 0.81 -0.62 -0.54 0.00 0.00 174.62 173.94 1wil n GLU 65 N 2.10 0.89 -3.92 3.99 -0.58 -1.26 -0.65 120.64 121.21 1wil n GLU 65 Ca -0.20 0.31 -0.31 0.00 -0.42 0.00 0.00 57.16 56.55 1wil n GLU 65 Cb 0.57 -1.59 -0.04 0.00 -0.57 0.00 0.00 31.44 29.81 1wil n GLU 65 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1wil n THR 66 N -0.07 -0.42 0.00 2.62 -2.24 -1.26 -4.90 114.28 108.01 1wil n THR 66 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1wil n THR 66 Cb 0.32 -0.95 0.00 0.00 -2.10 0.00 0.00 70.33 67.60 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 -1.07 0.12 3.80 3.38 0.00 0.18 -4.96 105.19 106.64 1wil n GLY 67 Ca 0.07 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 3.55 -0.58 1.61 0.23 -1.17 -5.01 118.94 117.57 1wil s TRP 68 Ca 0.00 1.66 -0.11 0.00 -2.03 0.00 0.00 56.10 55.61 1wil s TRP 68 Cb 0.00 -2.85 0.15 0.00 0.03 0.00 0.00 33.47 30.80 1wil s TRP 68 CO 0.00 0.11 0.48 -1.12 0.96 0.00 0.00 176.95 177.39 1wil s SER 69 N -1.84 6.00 0.88 2.95 0.01 -1.26 -4.95 113.70 115.50 1wil s SER 69 Ca 0.53 -2.13 -0.16 0.00 1.31 0.00 0.00 55.95 55.50 1wil s SER 69 Cb -0.15 -2.09 -0.09 0.00 0.21 0.00 0.00 66.02 63.90 1wil s SER 69 CO 0.20 -0.68 -0.26 0.00 0.41 0.00 0.00 173.24 172.90 1wil n HIS 71 N -2.58 0.84 -0.12 0.00 8.25 -1.26 -0.76 115.22 119.59 1wil n HIS 71 Ca 0.03 0.90 -0.24 0.00 -0.26 0.00 0.00 57.72 58.15 1wil n HIS 71 Cb 0.53 -1.29 -0.11 0.00 1.12 0.00 0.00 29.99 30.24 1wil n HIS 71 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1wil n TYR 72 N -4.76 0.21 -1.60 4.41 4.02 -1.26 -4.97 117.16 113.20 1wil n TYR 72 Ca 0.28 0.07 -0.40 0.00 -0.01 0.00 0.00 57.90 57.83 1wil n TYR 72 Cb 0.93 -1.02 0.02 0.00 -0.02 0.00 0.00 39.34 39.25 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 -0.89 -0.30 0.10 0.00 -1.08 -1.26 -3.58 116.67 109.66 1wil s ASP 74 Ca 0.67 0.09 0.04 0.00 -0.52 0.00 0.00 52.55 52.83 1wil s ASP 74 Cb -0.51 0.29 -0.04 0.00 -1.46 0.00 0.00 42.92 41.21 1wil s ASP 74 CO 0.54 -0.44 -0.11 0.21 0.52 0.00 0.00 175.17 175.89 1wil s ASN 75 N -2.04 1.60 0.54 -0.34 3.84 -1.26 -5.02 114.94 112.25 1wil s ASN 75 Ca 0.05 -0.80 0.28 0.00 0.21 0.00 0.00 52.86 52.59 1wil s ASN 75 Cb -0.01 -0.01 1.43 0.00 -0.55 0.00 0.00 41.25 42.11 1wil s ASN 75 CO -0.05 -0.22 1.96 0.16 -2.79 0.00 0.00 177.10 176.15 1wil h ILE 76 N 3.59 0.66 -1.39 -5.21 3.07 -2.04 -3.37 117.51 112.82 1wil h ILE 76 Ca -0.38 0.00 -0.38 0.00 1.55 0.00 0.00 64.86 65.65 1wil h ILE 76 Cb 1.19 0.67 -0.03 0.00 -0.27 0.00 0.00 36.82 38.38 1wil h ILE 76 CO 0.52 0.00 1.08 0.21 -1.05 0.00 0.00 178.15 178.91 1wil s ASN 77 N -5.98 4.97 0.18 2.16 2.47 -1.26 -4.95 114.94 112.53 1wil s ASN 77 Ca -0.05 0.11 -0.06 0.00 0.42 0.00 0.00 52.86 53.29 1wil s ASN 77 Cb 0.20 -2.54 -0.06 0.00 -1.45 0.00 0.00 41.25 37.41 1wil s ASN 77 CO 0.74 -2.71 0.44 -0.22 -3.72 0.00 0.00 177.10 171.62 1wil s LEU 78 N 10.41 4.22 0.58 3.21 2.96 -1.26 -5.11 118.68 133.68 1wil s LEU 78 Ca 0.75 0.66 0.07 0.00 -0.22 0.00 0.00 54.13 55.39 1wil s LEU 78 Cb -0.11 -3.41 0.07 0.00 0.50 0.00 0.00 46.19 43.23 1wil s LEU 78 CO 0.14 -0.01 0.57 -0.76 -1.32 0.00 0.00 176.35 174.96 1wil s LEU 79 N -2.84 2.75 0.17 -0.68 1.02 -1.26 -5.15 118.68 112.69 1wil s LEU 79 Ca 0.43 -1.17 0.01 0.00 0.02 0.00 0.00 54.13 53.42 1wil s LEU 79 Cb -0.12 -1.23 -0.04 0.00 0.02 0.00 0.00 46.19 44.82 1wil s LEU 79 CO 0.25 -1.28 0.03 -1.48 0.02 0.00 0.00 176.35 173.89 1wil s LEU 80 N -4.46 1.96 -0.13 1.79 -0.00 -1.26 -5.17 118.68 111.41 1wil s LEU 80 Ca 0.43 -1.21 -0.09 0.00 -0.00 0.00 0.00 54.13 53.26 1wil s LEU 80 Cb -0.03 0.05 0.04 0.00 -0.00 0.00 0.00 46.19 46.25 1wil s LEU 80 CO 0.27 -0.63 0.33 -0.89 -0.00 0.00 0.00 176.35 175.43 1wil s THR 81 N -3.77 -0.02 -0.43 5.48 2.01 -1.26 -5.13 115.64 112.52 1wil s THR 81 Ca 0.26 0.06 -0.11 0.00 0.31 0.00 0.00 61.69 62.21 1wil s THR 81 Cb 0.07 -0.48 0.07 0.00 0.01 0.00 0.00 72.50 72.17 1wil s THR 81 CO 0.05 0.03 0.29 -1.61 -0.69 0.00 0.00 174.62 172.68 1wil s GLU 82 N 0.78 2.74 0.09 4.92 0.41 -1.26 -5.06 118.70 121.32 1wil s GLU 82 Ca -0.05 -1.38 0.04 0.00 -0.41 0.00 0.00 54.97 53.17 1wil s GLU 82 Cb -0.06 -3.88 -0.03 0.00 -1.78 0.00 0.00 34.13 28.38 1wil s GLU 82 CO -0.05 -0.95 -0.11 -1.83 -0.49 0.00 0.00 175.26 171.83 1wil s GLU 83 N 1.50 0.84 0.80 1.61 1.03 -1.26 -5.16 118.70 118.06 1wil s GLU 83 Ca 0.03 -1.11 -0.08 0.00 0.03 0.00 0.00 54.97 53.85 1wil s GLU 83 Cb -0.23 -0.60 0.13 0.00 -0.80 0.00 0.00 34.13 32.64 1wil s GLU 83 CO 0.04 0.10 1.12 -1.12 -1.33 0.00 0.00 175.26 174.07 1wil s SER 84 N -2.28 4.03 0.00 0.83 0.01 -1.26 -5.11 113.70 109.93 1wil s SER 84 Ca 0.03 0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.39 1wil s SER 84 Cb -0.05 -0.43 0.00 0.00 0.21 0.00 0.00 66.02 65.75 1wil s SER 84 CO 0.01 -2.10 0.00 0.61 0.41 0.00 0.00 173.24 172.16 1wil n GLY 85 N -3.20 0.03 3.77 3.44 0.00 -1.26 -5.17 105.19 102.81 1wil n GLY 85 Ca 0.13 0.74 -0.32 0.00 0.00 0.00 0.00 46.02 46.57 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 2.52 -0.44 1.61 0.04 -1.26 -4.87 135.00 132.61 1wil s PRO 86 Ca 0.00 1.27 -0.45 0.00 0.04 0.00 0.00 61.00 61.86 1wil s PRO 86 Cb 0.00 -1.92 -0.19 0.00 0.04 0.00 0.00 34.50 32.43 1wil s PRO 86 CO 0.00 -1.45 1.65 0.43 0.04 0.00 0.00 177.00 177.67 1wil n SER 87 N -2.99 1.55 -4.78 6.66 7.64 -1.26 -4.87 113.62 115.58 1wil n SER 87 Ca 0.10 1.15 -0.37 0.00 1.01 0.00 0.00 58.87 60.76 1wil n SER 87 Cb 0.52 -0.96 -0.02 0.00 -1.01 0.00 0.00 64.21 62.75 1wil n SER 87 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wil s SER 88 N 3.20 6.32 0.00 6.43 1.04 -1.26 -5.36 113.70 124.06 1wil s SER 88 Ca 1.03 2.21 0.09 0.00 0.48 0.00 0.00 55.95 59.76 1wil s SER 88 Cb -1.38 -2.59 0.07 0.00 0.10 0.00 0.00 66.02 62.22 1wil s SER 88 CO 0.77 -0.81 0.77 0.61 0.98 0.00 0.00 173.24 175.57