#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 3.23 0.08 1.61 0.01 -1.26 -5.16 113.70 112.22 1wil s SER 2 Ca 0.00 -1.12 0.05 0.00 1.31 0.00 0.00 55.95 56.19 1wil s SER 2 Cb 0.00 -0.25 -0.03 0.00 0.21 0.00 0.00 66.02 65.95 1wil s SER 2 CO 0.00 -0.17 -0.13 -0.55 0.41 0.00 0.00 173.24 172.81 1wil s SER 3 N -3.49 1.60 0.00 2.44 0.15 -1.26 -5.15 113.70 107.99 1wil s SER 3 Ca 0.29 -0.69 0.00 0.00 0.70 0.00 0.00 55.95 56.25 1wil s SER 3 Cb 0.00 -0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.28 1wil s SER 3 CO 0.13 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.04 1wil n GLY 4 N 1.00 -1.47 2.77 9.45 0.00 -1.26 -4.99 105.19 110.68 1wil n GLY 4 Ca -0.19 -0.45 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 1wil n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wil s SER 5 N -1.59 4.11 0.05 1.61 0.15 -1.26 -5.10 113.70 111.68 1wil s SER 5 Ca 0.00 -1.77 -0.27 0.00 0.70 0.00 0.00 55.95 54.62 1wil s SER 5 Cb 0.00 -0.98 0.09 0.00 -1.71 0.00 0.00 66.02 63.42 1wil s SER 5 CO 0.00 -0.40 0.77 -0.44 1.20 0.00 0.00 173.24 174.37 1wil s SER 6 N 1.45 -0.45 -0.47 5.45 0.01 -1.26 -5.13 113.70 113.30 1wil s SER 6 Ca 0.10 0.04 -0.21 0.00 1.31 0.00 0.00 55.95 57.19 1wil s SER 6 Cb -0.18 0.47 0.03 0.00 0.21 0.00 0.00 66.02 66.55 1wil s SER 6 CO -0.21 -0.74 0.67 -0.83 0.41 0.00 0.00 173.24 172.53 1wil s GLY 7 N -2.50 1.70 0.00 3.44 0.00 -1.26 -4.90 107.32 103.80 1wil s GLY 7 Ca 0.03 -1.34 0.15 0.00 0.00 0.00 0.00 44.72 43.56 1wil s GLY 7 CO -0.10 1.57 1.39 -1.55 0.00 0.00 0.00 173.10 174.41 1wil n PRO 8 N 6.36 0.30 -1.59 2.90 -0.04 -1.26 -3.00 135.00 138.67 1wil n PRO 8 Ca -0.02 0.10 -0.32 0.00 -0.04 0.00 0.00 63.50 63.21 1wil n PRO 8 Cb 0.47 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.49 1wil n PRO 8 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1wil n ARG 9 N -1.19 2.95 -3.71 0.54 0.63 -1.26 -4.96 116.66 109.66 1wil n ARG 9 Ca 0.08 -3.57 -0.14 0.00 -0.92 0.00 0.00 57.85 53.31 1wil n ARG 9 Cb 0.10 -2.28 -0.08 0.00 0.45 0.00 0.00 32.46 30.65 1wil n ARG 9 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1wil s GLU 10 N -3.79 0.78 0.99 -0.14 2.02 -1.16 -5.18 118.70 112.22 1wil s GLU 10 Ca 0.60 -0.18 -0.17 0.00 0.02 0.00 0.00 54.97 55.24 1wil s GLU 10 Cb 0.48 0.35 0.25 0.00 0.10 0.00 0.00 34.13 35.30 1wil s GLU 10 CO -0.04 -0.23 0.88 -0.35 0.02 0.00 0.00 175.26 175.53 1wil n PRO 11 N 1.03 -2.74 -4.08 0.39 -0.04 -1.26 -5.04 135.00 123.27 1wil n PRO 11 Ca -0.20 -1.40 -0.16 0.00 -0.04 0.00 0.00 63.50 61.69 1wil n PRO 11 Cb 0.57 -1.32 -0.15 0.00 -0.04 0.00 0.00 33.50 32.56 1wil n PRO 11 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1wil s VAL 12 N -2.59 0.33 0.39 0.52 1.01 -1.26 -5.10 120.40 113.69 1wil s VAL 12 Ca 0.57 -0.11 -0.13 0.00 0.00 0.00 0.00 61.98 62.31 1wil s VAL 12 Cb -0.06 -0.32 -0.11 0.00 0.00 0.00 0.00 36.38 35.90 1wil s VAL 12 CO 0.44 0.12 -0.13 0.52 0.00 0.00 0.00 175.10 176.05 1wil n VAL 13 N 3.38 0.00 -4.04 2.92 0.31 -1.26 -1.08 118.33 118.56 1wil n VAL 13 Ca -0.18 -0.35 -0.27 0.00 -0.01 0.00 0.00 64.34 63.53 1wil n VAL 13 Cb 0.56 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.40 1wil n VAL 13 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1wil n ASN 14 N 1.83 0.66 -0.29 4.52 6.94 -1.26 -4.78 115.26 122.88 1wil n ASN 14 Ca 0.05 -1.08 -0.01 0.00 -0.02 0.00 0.00 54.58 53.52 1wil n ASN 14 Cb 0.34 -1.35 0.11 0.00 -2.36 0.00 0.00 39.78 36.52 1wil n ASN 14 CO 0.00 0.00 0.00 -0.78 -1.03 0.00 0.00 177.26 175.45 1wil h ASP 15 N -1.32 0.81 -2.28 0.53 1.82 -1.53 -3.39 116.42 111.06 1wil h ASP 15 Ca -0.56 0.01 -0.56 0.00 -0.39 0.00 0.00 57.03 55.53 1wil h ASP 15 Cb 1.18 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 41.01 1wil h ASP 15 CO 0.61 0.54 1.39 -1.61 -1.61 0.00 0.00 179.24 178.56 1wil s GLU 16 N -6.09 3.08 -0.09 0.28 8.01 -1.26 -4.94 118.70 117.69 1wil s GLU 16 Ca -0.13 1.54 -0.04 0.00 0.01 0.00 0.00 54.97 56.36 1wil s GLU 16 Cb 0.17 -4.31 0.05 0.00 -4.31 0.00 0.00 34.13 25.73 1wil s GLU 16 CO 0.78 -2.17 0.17 -1.64 0.01 0.00 0.00 175.26 172.42 1wil s MET 17 N 6.28 0.08 0.53 1.61 -1.94 -1.26 -4.23 119.30 120.36 1wil s MET 17 Ca 0.87 0.52 -0.22 0.00 -1.71 0.00 0.00 55.69 55.15 1wil s MET 17 Cb -0.24 -0.20 -0.06 0.00 2.01 0.00 0.00 34.83 36.33 1wil s MET 17 CO 0.32 -0.25 1.27 0.00 -0.01 0.00 0.00 175.02 176.35 1wil n ASP 19 N -0.67 0.00 0.00 0.00 2.03 -1.25 0.11 116.55 116.77 1wil n ASP 19 Ca 0.10 -0.75 0.00 0.00 0.52 0.00 0.00 54.79 54.66 1wil n ASP 19 Cb 0.44 -0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.79 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 -1.05 0.00 -0.00 5.18 0.31 -1.26 -4.81 118.33 116.69 1wil n VAL 20 Ca 0.20 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.54 1wil n VAL 20 Cb 0.12 -0.22 -0.03 0.00 -0.91 0.00 0.00 33.84 32.80 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 -1.70 -2.11 -3.89 0.00 0.28 0.29 -4.79 120.64 108.72 1wil n GLU 22 Ca -0.01 0.27 -0.11 0.00 -0.16 0.00 0.00 57.16 57.14 1wil n GLU 22 Cb 0.17 -4.74 -0.11 0.00 1.43 0.00 0.00 31.44 28.20 1wil n GLU 22 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1wil s VAL 23 N -3.47 0.07 0.34 3.84 -7.23 -1.26 -4.66 120.40 108.03 1wil s VAL 23 Ca 0.61 -0.60 0.01 0.00 -1.81 0.00 0.00 61.98 60.19 1wil s VAL 23 Cb -0.34 -0.33 0.01 0.00 0.56 0.00 0.00 36.38 36.27 1wil s VAL 23 CO 0.97 -0.33 0.08 -2.67 -0.31 0.00 0.00 175.10 172.84 1wil n TRP 24 N 1.82 0.25 -3.55 2.82 4.27 -1.26 -4.03 117.44 117.76 1wil n TRP 24 Ca -0.21 -1.61 -0.17 0.00 -3.89 0.00 0.00 57.50 51.62 1wil n TRP 24 Cb 0.56 -0.24 -0.06 0.00 -1.36 0.00 0.00 31.31 30.21 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 -2.07 0.00 0.22 -1.67 2.01 -1.26 -5.05 115.64 107.81 1wil s THR 25 Ca 0.06 -0.02 -0.20 0.00 0.31 0.00 0.00 61.69 61.85 1wil s THR 25 Cb -0.01 -0.98 0.19 0.00 0.01 0.00 0.00 72.50 71.71 1wil s THR 25 CO 0.04 -0.01 1.55 0.00 -0.69 0.00 0.00 174.62 175.51 1wil h ALA 26 N 3.33 0.05 -1.92 7.40 0.00 -2.05 -3.41 119.26 122.67 1wil h ALA 26 Ca -0.27 0.25 -0.37 0.00 0.00 0.00 0.00 54.91 54.51 1wil h ALA 26 Cb 1.14 1.04 0.21 0.00 0.00 0.00 0.00 17.79 20.18 1wil h ALA 26 CO 0.34 -0.67 -0.21 -0.85 0.00 0.00 0.00 179.25 177.86 1wil n GLU 27 N -5.44 -3.71 -2.16 0.00 0.28 -1.26 -4.93 120.64 103.42 1wil n GLU 27 Ca 0.09 -1.09 -0.37 0.00 -0.16 0.00 0.00 57.16 55.63 1wil n GLU 27 Cb 0.38 -1.92 0.00 0.00 1.43 0.00 0.00 31.44 31.33 1wil n GLU 27 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1wil s SER 28 N -2.65 5.93 0.05 -1.84 0.01 -1.26 -5.03 113.70 108.90 1wil s SER 28 Ca 0.63 2.38 0.02 0.00 1.31 0.00 0.00 55.95 60.30 1wil s SER 28 Cb -0.15 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.43 1wil s SER 28 CO 0.57 -1.09 0.05 -0.22 0.41 0.00 0.00 173.24 172.97 1wil s LEU 29 N -3.22 3.70 0.33 2.44 0.20 -1.26 -4.98 118.68 115.90 1wil s LEU 29 Ca 0.66 -0.01 -0.07 0.00 0.69 0.00 0.00 54.13 55.41 1wil s LEU 29 Cb -0.30 -2.30 -0.06 0.00 -0.43 0.00 0.00 46.19 43.10 1wil s LEU 29 CO 0.36 0.22 0.63 -0.36 -0.29 0.00 0.00 176.35 176.91 1wil s PHE 30 N -1.27 3.48 -0.02 5.38 0.40 -1.26 -3.35 117.98 121.33 1wil s PHE 30 Ca 0.25 0.78 -0.25 0.00 -0.60 0.00 0.00 56.93 57.12 1wil s PHE 30 Cb -0.12 -2.22 -0.19 0.00 0.51 0.00 0.00 43.02 40.99 1wil s PHE 30 CO 0.17 0.07 1.21 -1.00 0.70 0.00 0.00 175.22 176.37 1wil h PRO 31 N 1.50 -0.09 0.00 0.24 0.13 -1.87 -2.32 132.00 129.59 1wil h PRO 31 Ca -0.47 0.01 -0.19 0.00 -0.87 0.00 0.00 66.00 64.48 1wil h PRO 31 Cb 1.19 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 1wil h PRO 31 CO 0.65 0.37 -0.14 0.00 -0.23 0.00 0.00 178.00 178.65 1wil n ARG 33 N -0.35 1.11 0.09 0.00 0.00 -1.26 -4.56 116.66 111.69 1wil n ARG 33 Ca -0.05 -0.07 -0.04 0.00 -0.00 0.00 0.00 57.85 57.69 1wil n ARG 33 Cb 0.18 -1.29 -0.02 0.00 -0.00 0.00 0.00 32.46 31.34 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 0.00 -0.48 8.89 2.07 -1.95 -3.45 116.25 121.33 1wil h VAL 34 Ca -0.13 -0.15 -0.35 0.00 0.82 0.00 0.00 66.70 66.89 1wil h VAL 34 Cb 1.03 0.00 0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1wil h VAL 34 CO 0.01 0.00 -0.10 0.00 0.02 0.00 0.00 177.57 177.49 1wil h THR 36 N 0.98 0.88 -3.02 0.00 2.02 -1.98 -3.42 112.91 108.37 1wil h THR 36 Ca -0.19 -0.10 -0.51 0.00 0.77 0.00 0.00 66.41 66.38 1wil h THR 36 Cb 0.69 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1wil h THR 36 CO 0.29 0.05 -0.18 -0.60 0.37 0.00 0.00 175.52 175.45 1wil s ARG 37 N -6.15 3.56 -0.03 6.66 3.52 -1.26 -4.76 118.95 120.49 1wil s ARG 37 Ca -0.13 -0.16 0.03 0.00 -0.13 0.00 0.00 55.73 55.33 1wil s ARG 37 Cb 0.13 -2.68 0.00 0.00 -1.56 0.00 0.00 34.95 30.84 1wil s ARG 37 CO 0.72 0.21 -0.10 0.14 -0.81 0.00 0.00 175.30 175.46 1wil s VAL 38 N -2.14 0.84 -0.17 7.11 -7.23 -1.26 -4.89 120.40 112.65 1wil s VAL 38 Ca 0.42 -0.38 -0.07 0.00 -1.81 0.00 0.00 61.98 60.14 1wil s VAL 38 Cb -0.10 -0.75 0.08 0.00 0.56 0.00 0.00 36.38 36.17 1wil s VAL 38 CO 0.32 0.26 0.37 0.72 -0.31 0.00 0.00 175.10 176.46 1wil s PHE 39 N 0.23 -0.64 -0.49 2.82 -0.12 -0.87 -3.58 117.98 115.32 1wil s PHE 39 Ca -0.04 1.30 -0.26 0.00 -0.05 0.00 0.00 56.93 57.88 1wil s PHE 39 Cb -0.09 0.19 -0.07 0.00 -0.63 0.00 0.00 43.02 42.42 1wil s PHE 39 CO 0.01 -0.42 2.40 -1.01 -0.05 0.00 0.00 175.22 176.15 1wil s HIS 40 N 2.33 1.08 0.22 3.49 3.76 -1.24 -2.89 115.29 122.04 1wil s HIS 40 Ca -0.02 1.54 0.09 0.00 -0.15 0.00 0.00 55.06 56.51 1wil s HIS 40 Cb -0.11 -3.60 0.71 0.00 1.11 0.00 0.00 32.58 30.69 1wil s HIS 40 CO -0.11 -2.55 0.99 -0.25 -0.85 0.00 0.00 174.74 171.97 1wil n ASP 41 N 15.81 0.11 0.31 1.40 8.00 -1.26 0.10 116.55 141.02 1wil n ASP 41 Ca 0.36 1.06 -0.17 0.00 0.71 0.00 0.00 54.79 56.75 1wil n ASP 41 Cb 0.55 -0.47 -0.09 0.00 -0.02 0.00 0.00 41.12 41.10 1wil n ASP 41 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1wil h GLY 42 N 0.00 -0.76 -0.98 0.44 0.00 -1.97 -2.78 103.07 97.02 1wil h GLY 42 Ca 0.48 0.28 0.39 0.00 0.00 0.00 0.00 47.33 48.48 1wil h GLY 42 CO -0.53 -0.28 0.44 0.00 0.00 0.00 0.00 176.54 176.17 1wil h LEU 44 N 0.00 0.04 0.11 0.00 3.38 -1.40 0.36 115.31 117.80 1wil h LEU 44 Ca 0.79 0.11 -0.27 0.00 0.09 0.00 0.00 57.88 58.60 1wil h LEU 44 Cb 2.03 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.92 1wil h LEU 44 CO -0.79 0.02 -1.28 0.08 0.09 0.00 0.00 178.44 176.57 1wil h ARG 45 N 0.29 0.22 -0.66 1.13 0.11 0.63 0.67 114.38 116.78 1wil h ARG 45 Ca 0.33 -0.38 -0.03 0.00 0.10 0.00 0.00 59.98 60.00 1wil h ARG 45 Cb 0.49 0.14 -0.03 0.00 1.11 0.00 0.00 29.97 31.68 1wil h ARG 45 CO -0.40 1.15 0.29 -0.09 0.10 0.00 0.00 179.97 181.02 1wil h ARG 46 N 0.06 0.95 0.00 0.08 1.12 0.07 -3.30 114.38 113.37 1wil h ARG 46 Ca -0.14 -0.14 -0.42 0.00 -1.11 0.00 0.00 59.98 58.17 1wil h ARG 46 Cb 1.96 -0.17 -0.07 0.00 -0.01 0.00 0.00 29.97 31.68 1wil h ARG 46 CO 0.18 0.75 -2.42 -0.12 -3.11 0.00 0.00 179.97 175.25 1wil n MET 47 N -4.33 0.61 0.00 0.20 1.56 0.12 -5.06 117.12 110.23 1wil n MET 47 Ca 0.06 0.25 0.00 0.00 -0.27 0.00 0.00 57.70 57.74 1wil n MET 47 Cb 0.15 -1.53 0.00 0.00 2.15 0.00 0.00 33.22 34.00 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 1.61 0.80 0.70 -5.12 0.00 0.18 -5.08 105.19 98.29 1wil n GLY 48 Ca -0.50 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 44.92 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 0.43 1.61 4.01 0.17 -4.76 117.16 118.62 1wil n TYR 49 Ca 0.00 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.86 1wil n TYR 49 Cb 0.00 0.03 0.14 0.00 -0.31 0.00 0.00 39.34 39.21 1wil n TYR 49 CO 0.00 0.00 0.00 -0.84 -0.46 0.00 0.00 176.86 175.56 1wil h ILE 50 N 0.00 0.00 -3.08 -0.72 3.07 -1.97 -3.45 117.51 111.36 1wil h ILE 50 Ca 0.00 -0.65 -0.28 0.00 1.55 0.00 0.00 64.86 65.47 1wil h ILE 50 Cb 0.90 1.27 -0.35 0.00 -0.27 0.00 0.00 36.82 38.37 1wil h ILE 50 CO 0.00 0.00 -0.63 0.00 -1.05 0.00 0.00 178.15 176.47 1wil s GLN 51 N -3.21 0.04 0.00 0.16 -2.07 -1.26 -5.03 119.66 108.29 1wil s GLN 51 Ca 0.05 0.56 0.00 0.00 -1.82 0.00 0.00 55.36 54.15 1wil s GLN 51 Cb 0.12 -0.25 0.00 0.00 -1.09 0.00 0.00 33.01 31.79 1wil s GLN 51 CO 0.73 -0.30 0.00 0.41 -1.32 0.00 0.00 175.29 174.81 1wil n GLY 52 N 5.24 -0.03 3.46 2.60 0.00 -1.26 -4.62 105.19 110.58 1wil n GLY 52 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.12 0.23 -0.19 1.61 1.11 -1.26 -4.86 116.67 113.18 1wil s ASP 53 Ca 0.00 0.91 -0.02 0.00 0.18 0.00 0.00 52.55 53.61 1wil s ASP 53 Cb 0.00 -1.32 0.02 0.00 1.07 0.00 0.00 42.92 42.69 1wil s ASP 53 CO 0.00 -4.58 2.51 -1.54 1.18 0.00 0.00 175.17 172.74 1wil n SER 54 N -5.11 5.91 -3.46 0.27 3.41 -1.26 -4.70 113.62 108.67 1wil n SER 54 Ca 0.10 -2.79 -0.01 0.00 -0.26 0.00 0.00 58.87 55.92 1wil n SER 54 Cb 0.59 -1.19 -0.04 0.00 -0.26 0.00 0.00 64.21 63.31 1wil n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wil s ALA 55 N -0.70 -1.96 -0.29 7.33 0.00 -1.26 -5.15 121.76 119.72 1wil s ALA 55 Ca 0.36 1.99 -0.15 0.00 0.00 0.00 0.00 51.96 54.16 1wil s ALA 55 Cb 0.22 -1.86 0.16 0.00 0.00 0.00 0.00 23.12 21.64 1wil s ALA 55 CO -0.05 -1.07 0.99 0.00 0.00 0.00 0.00 175.76 175.63 1wil s ALA 56 N 2.83 -2.50 -0.22 0.00 0.00 -1.26 -4.90 121.76 115.71 1wil s ALA 56 Ca 0.05 2.12 0.02 0.00 0.00 0.00 0.00 51.96 54.15 1wil s ALA 56 Cb -0.13 -1.89 0.32 0.00 0.00 0.00 0.00 23.12 21.42 1wil s ALA 56 CO -0.19 -0.65 1.48 -0.85 0.00 0.00 0.00 175.76 175.55 1wil n GLU 57 N 4.31 1.62 -3.82 0.00 0.28 -1.26 -4.81 120.64 116.96 1wil n GLU 57 Ca -0.14 -1.48 -0.15 0.00 -0.16 0.00 0.00 57.16 55.24 1wil n GLU 57 Cb 0.55 -1.58 -0.16 0.00 1.43 0.00 0.00 31.44 31.69 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 -1.65 -0.01 -0.02 3.84 1.01 -1.26 -5.15 120.40 117.16 1wil s VAL 58 Ca 0.28 0.14 -0.12 0.00 0.00 0.00 0.00 61.98 62.28 1wil s VAL 58 Cb 0.24 -0.09 0.02 0.00 0.00 0.00 0.00 36.38 36.54 1wil s VAL 58 CO 0.05 0.08 0.26 0.28 0.00 0.00 0.00 175.10 175.77 1wil s THR 59 N 0.80 0.06 -0.00 3.92 -1.32 -1.26 -4.98 115.64 112.85 1wil s THR 59 Ca -0.07 -0.46 0.03 0.00 -1.21 0.00 0.00 61.69 59.98 1wil s THR 59 Cb -0.10 -0.53 -0.01 0.00 -1.51 0.00 0.00 72.50 70.35 1wil s THR 59 CO -0.02 -0.25 -0.10 -1.83 -2.21 0.00 0.00 174.62 170.21 1wil s GLU 60 N -1.13 0.77 -0.47 7.08 -1.05 -1.26 -5.10 118.70 117.54 1wil s GLU 60 Ca -0.12 -0.40 0.03 0.00 -0.15 0.00 0.00 54.97 54.33 1wil s GLU 60 Cb -0.05 -0.74 0.16 0.00 -0.44 0.00 0.00 34.13 33.05 1wil s GLU 60 CO 0.03 0.20 0.32 -1.64 0.95 0.00 0.00 175.26 175.12 1wil s MET 61 N -0.38 1.29 1.07 -4.83 -1.94 -1.26 -5.05 119.30 108.20 1wil s MET 61 Ca 0.03 -2.23 -0.15 0.00 -1.71 0.00 0.00 55.69 51.63 1wil s MET 61 Cb -0.04 -2.09 0.22 0.00 2.01 0.00 0.00 34.83 34.93 1wil s MET 61 CO -0.00 -1.28 1.12 0.00 -0.01 0.00 0.00 175.02 174.85 1wil s ALA 62 N -0.03 0.95 -1.59 3.03 0.00 -1.26 -3.81 121.76 119.06 1wil s ALA 62 Ca 0.25 -0.65 -0.17 0.00 0.00 0.00 0.00 51.96 51.39 1wil s ALA 62 Cb -0.10 -3.00 0.14 0.00 0.00 0.00 0.00 23.12 20.16 1wil s ALA 62 CO -0.10 -3.06 0.71 1.58 0.00 0.00 0.00 175.76 174.89 1wil n HIS 63 N -4.34 -1.75 0.00 0.00 -0.00 -1.26 -4.74 115.22 103.14 1wil n HIS 63 Ca 0.09 0.71 0.00 0.00 -0.00 0.00 0.00 57.72 58.52 1wil n HIS 63 Cb 0.58 -2.86 0.00 0.00 -0.00 0.00 0.00 29.99 27.72 1wil n HIS 63 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 1wil n THR 64 N -4.24 0.00 -4.31 3.57 -1.04 -1.25 -5.13 114.28 101.89 1wil n THR 64 Ca 0.06 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.92 1wil n THR 64 Cb 0.50 -0.34 -0.04 0.00 -1.82 0.00 0.00 70.33 68.63 1wil n THR 64 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1wil n GLU 65 N -2.07 0.86 -0.26 -2.82 4.07 -1.26 -5.00 120.64 114.16 1wil n GLU 65 Ca 0.00 -1.94 0.22 0.00 -0.06 0.00 0.00 57.16 55.38 1wil n GLU 65 Cb 0.21 0.94 0.41 0.00 -0.06 0.00 0.00 31.44 32.94 1wil n GLU 65 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 1wil n THR 66 N -0.55 -0.33 0.00 6.31 -1.04 -1.26 -4.78 114.28 112.63 1wil n THR 66 Ca -0.05 1.64 0.00 0.00 -2.04 0.00 0.00 64.05 63.60 1wil n THR 66 Cb 0.34 -2.60 0.00 0.00 -1.82 0.00 0.00 70.33 66.25 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 -1.25 4.64 3.77 3.41 0.00 -1.26 -5.06 105.19 109.44 1wil n GLY 67 Ca 0.27 -1.09 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.81 3.20 0.23 1.61 -0.00 -1.26 -5.10 118.94 115.81 1wil s TRP 68 Ca 0.00 0.10 -0.30 0.00 -0.00 0.00 0.00 56.10 55.90 1wil s TRP 68 Cb 0.00 -1.64 -0.09 0.00 -0.00 0.00 0.00 33.47 31.74 1wil s TRP 68 CO 0.00 0.52 0.99 -1.12 -0.00 0.00 0.00 176.95 177.35 1wil s SER 69 N -2.25 7.51 1.24 5.86 0.01 -1.26 -4.96 113.70 119.86 1wil s SER 69 Ca 0.28 2.02 -0.18 0.00 1.31 0.00 0.00 55.95 59.38 1wil s SER 69 Cb -0.12 -2.61 0.30 0.00 0.21 0.00 0.00 66.02 63.80 1wil s SER 69 CO 0.20 0.04 1.02 0.00 0.41 0.00 0.00 173.24 174.91 1wil h HIS 71 N -2.81 0.13 -1.45 0.00 3.86 -2.04 -2.31 115.15 110.53 1wil h HIS 71 Ca -0.51 0.04 -0.64 0.00 -1.16 0.00 0.00 60.37 58.09 1wil h HIS 71 Cb 1.33 0.03 -0.37 0.00 1.06 0.00 0.00 27.41 29.46 1wil h HIS 71 CO -1.46 -0.05 -0.06 2.48 0.86 0.00 0.00 177.93 179.70 1wil n TYR 72 N -5.16 3.16 -4.03 2.45 4.11 -1.26 -4.99 117.16 111.44 1wil n TYR 72 Ca 0.08 -2.73 -0.14 0.00 -0.00 0.00 0.00 57.90 55.11 1wil n TYR 72 Cb 0.30 -0.59 -0.14 0.00 -0.00 0.00 0.00 39.34 38.91 1wil n TYR 72 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1wil s ASP 74 N -0.40 -0.15 0.46 0.00 1.47 -1.26 -4.20 116.67 112.58 1wil s ASP 74 Ca -0.02 -0.06 0.07 0.00 1.18 0.00 0.00 52.55 53.71 1wil s ASP 74 Cb -0.03 0.21 -0.01 0.00 -0.34 0.00 0.00 42.92 42.75 1wil s ASP 74 CO -0.00 -0.36 0.33 0.54 0.68 0.00 0.00 175.17 176.36 1wil s ASN 75 N -2.48 4.72 -0.80 2.11 4.22 -1.26 -5.05 114.94 116.40 1wil s ASN 75 Ca 0.10 -1.01 -0.26 0.00 -2.14 0.00 0.00 52.86 49.55 1wil s ASN 75 Cb 0.00 -0.21 0.03 0.00 1.28 0.00 0.00 41.25 42.35 1wil s ASN 75 CO -0.05 -0.77 1.41 -0.63 -2.04 0.00 0.00 177.10 175.02 1wil s ILE 76 N -2.61 3.72 0.14 0.54 1.01 -1.26 -4.62 121.20 118.13 1wil s ILE 76 Ca 0.41 0.06 0.00 0.00 0.00 0.00 0.00 60.65 61.12 1wil s ILE 76 Cb -0.01 -4.82 0.00 0.00 0.01 0.00 0.00 42.46 37.64 1wil s ILE 76 CO 0.24 -1.75 0.00 -3.20 0.00 0.00 0.00 174.94 170.23 1wil n ASN 77 N 9.79 0.35 -4.37 3.58 2.85 -1.26 -5.06 115.26 121.14 1wil n ASN 77 Ca 0.14 0.24 -0.35 0.00 -0.11 0.00 0.00 54.58 54.49 1wil n ASN 77 Cb 0.50 0.03 -0.13 0.00 1.24 0.00 0.00 39.78 41.41 1wil n ASN 77 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1wil s LEU 78 N -6.60 3.06 -0.40 1.20 2.96 -1.26 -4.99 118.68 112.65 1wil s LEU 78 Ca 0.00 -0.31 0.05 0.00 -0.22 0.00 0.00 54.13 53.65 1wil s LEU 78 Cb 0.00 -1.78 0.44 0.00 0.50 0.00 0.00 46.19 45.35 1wil s LEU 78 CO 0.00 0.01 1.32 -0.11 -1.32 0.00 0.00 176.35 176.24 1wil n LEU 79 N 4.63 5.35 -3.16 -0.68 7.94 -1.26 -4.92 117.00 124.90 1wil n LEU 79 Ca -0.18 -4.81 0.04 0.00 -1.11 0.00 0.00 56.01 49.95 1wil n LEU 79 Cb 0.51 -0.48 -0.01 0.00 0.53 0.00 0.00 43.42 43.97 1wil n LEU 79 CO 0.30 2.05 0.13 -1.48 -1.11 0.00 0.00 177.39 177.28 1wil s LEU 80 N -3.64 -1.45 0.16 -1.96 2.34 -1.26 -5.14 118.68 107.74 1wil s LEU 80 Ca 0.52 0.63 -0.34 0.00 0.06 0.00 0.00 54.13 55.00 1wil s LEU 80 Cb 0.42 2.09 -0.14 0.00 -0.56 0.00 0.00 46.19 48.00 1wil s LEU 80 CO -0.04 -0.28 1.52 0.41 -1.06 0.00 0.00 176.35 176.90 1wil n THR 81 N 5.42 0.16 0.00 5.48 -1.04 -1.26 -4.88 114.28 118.17 1wil n THR 81 Ca 0.01 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1wil n THR 81 Cb 0.52 -1.43 0.00 0.00 -1.82 0.00 0.00 70.33 67.60 1wil n THR 81 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1wil n GLU 82 N 3.06 0.00 -4.54 -2.82 -0.58 -1.26 -5.09 120.64 109.42 1wil n GLU 82 Ca 0.16 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.65 1wil n GLU 82 Cb 0.28 -0.88 -0.10 0.00 -0.57 0.00 0.00 31.44 30.16 1wil n GLU 82 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1wil s GLU 83 N -1.93 1.80 0.66 3.49 2.56 -1.26 -5.15 118.70 118.87 1wil s GLU 83 Ca 0.00 -1.92 0.01 0.00 0.00 0.00 0.00 54.97 53.06 1wil s GLU 83 Cb 0.00 -1.70 0.10 0.00 2.00 0.00 0.00 34.13 34.53 1wil s GLU 83 CO 0.00 0.16 0.91 0.45 -0.56 0.00 0.00 175.26 176.22 1wil s SER 84 N -3.60 4.68 0.00 -1.70 0.15 -1.26 -5.07 113.70 106.90 1wil s SER 84 Ca 0.32 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.65 1wil s SER 84 Cb 0.02 -0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.12 1wil s SER 84 CO 0.16 -1.61 0.00 0.61 1.20 0.00 0.00 173.24 173.60 1wil n GLY 85 N -2.63 -1.80 3.58 9.45 0.00 -1.26 -5.18 105.19 107.35 1wil n GLY 85 Ca 0.13 0.75 -0.30 0.00 0.00 0.00 0.00 46.02 46.60 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 -1.56 -0.19 1.61 0.04 -1.26 -5.09 135.00 128.54 1wil s PRO 86 Ca 0.00 -0.19 -0.15 0.00 0.04 0.00 0.00 61.00 60.70 1wil s PRO 86 Cb 0.00 -1.57 0.05 0.00 0.04 0.00 0.00 34.50 33.03 1wil s PRO 86 CO 0.00 -3.91 0.50 0.45 0.04 0.00 0.00 177.00 174.07 1wil s SER 87 N -4.00 -0.56 1.31 6.66 0.15 -1.26 -5.17 113.70 110.83 1wil s SER 87 Ca 0.72 1.03 -0.20 0.00 0.70 0.00 0.00 55.95 58.20 1wil s SER 87 Cb -0.08 1.00 0.32 0.00 -1.71 0.00 0.00 66.02 65.56 1wil s SER 87 CO 0.56 -0.19 1.01 -0.94 1.20 0.00 0.00 173.24 174.88 1wil s SER 88 N 0.69 -0.05 0.00 5.45 1.04 -1.26 -5.39 113.70 114.19 1wil s SER 88 Ca -0.03 0.84 0.02 0.00 0.48 0.00 0.00 55.95 57.25 1wil s SER 88 Cb -0.05 -1.20 0.02 0.00 0.10 0.00 0.00 66.02 64.88 1wil s SER 88 CO -0.05 -4.74 0.56 0.61 0.98 0.00 0.00 173.24 170.60