#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 -0.27 0.15 1.61 0.15 -1.26 -5.05 113.70 109.04 1wil s SER 2 Ca 0.00 0.37 -0.14 0.00 0.70 0.00 0.00 55.95 56.88 1wil s SER 2 Cb 0.00 0.33 0.03 0.00 -1.71 0.00 0.00 66.02 64.66 1wil s SER 2 CO 0.00 -0.19 1.69 0.77 1.20 0.00 0.00 173.24 176.71 1wil h SER 3 N 2.84 0.68 0.00 5.45 4.64 -2.08 -3.45 113.55 121.63 1wil h SER 3 Ca -0.19 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1wil h SER 3 Cb 1.18 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1wil h SER 3 CO 0.23 0.68 0.00 0.61 -0.87 0.00 0.00 176.83 177.48 1wil n GLY 4 N -0.75 0.35 4.38 -0.77 0.00 -1.26 -4.77 105.19 102.37 1wil n GLY 4 Ca 0.01 0.66 -0.39 0.00 0.00 0.00 0.00 46.02 46.31 1wil n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wil n SER 5 N 5.71 -2.20 -3.77 1.61 3.41 -1.26 -4.91 113.62 112.21 1wil n SER 5 Ca 0.00 -1.15 -0.14 0.00 -0.26 0.00 0.00 58.87 57.32 1wil n SER 5 Cb 0.00 -2.12 -0.15 0.00 -0.26 0.00 0.00 64.21 61.67 1wil n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wil s SER 6 N -3.38 -0.00 0.32 4.04 1.04 -1.26 -5.10 113.70 109.35 1wil s SER 6 Ca 0.71 0.14 0.00 0.00 0.48 0.00 0.00 55.95 57.28 1wil s SER 6 Cb -0.41 0.04 0.00 0.00 0.10 0.00 0.00 66.02 65.75 1wil s SER 6 CO 0.98 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 175.69 1wil n GLY 7 N 4.07 -3.54 0.00 7.32 0.00 -1.26 -4.54 105.19 107.24 1wil n GLY 7 Ca -0.26 -1.04 0.07 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.00 0.13 -4.09 1.61 -0.04 -1.26 -4.67 135.00 124.67 1wil n PRO 8 Ca 0.00 0.19 -0.15 0.00 -0.04 0.00 0.00 63.50 63.50 1wil n PRO 8 Cb 0.24 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.06 1wil n PRO 8 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1wil s ARG 9 N -2.73 0.35 0.10 0.54 0.52 -1.26 -5.07 118.95 111.39 1wil s ARG 9 Ca 0.11 -0.19 -0.26 0.00 -0.52 0.00 0.00 55.73 54.87 1wil s ARG 9 Cb 0.10 -0.32 -0.09 0.00 0.52 0.00 0.00 34.95 35.16 1wil s ARG 9 CO 0.24 0.08 1.43 0.93 0.02 0.00 0.00 175.30 178.00 1wil h GLU 10 N 5.93 -0.34 -7.08 3.54 5.08 -1.85 -3.41 114.58 116.45 1wil h GLU 10 Ca -0.28 0.02 -0.50 0.00 -1.00 0.00 0.00 59.36 57.60 1wil h GLU 10 Cb 1.20 0.08 0.07 0.00 0.50 0.00 0.00 28.75 30.60 1wil h GLU 10 CO 0.50 -0.23 0.44 -1.25 -1.00 0.00 0.00 179.01 177.47 1wil s PRO 11 N -5.07 3.38 -0.14 2.33 0.04 -1.26 -5.02 135.00 129.26 1wil s PRO 11 Ca -0.11 1.62 -0.02 0.00 0.04 0.00 0.00 61.00 62.53 1wil s PRO 11 Cb 0.06 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 1wil s PRO 11 CO 0.48 -0.83 -0.08 0.14 0.04 0.00 0.00 177.00 176.74 1wil s VAL 12 N -1.75 3.47 -0.35 -0.36 -7.23 -1.26 -5.01 120.40 107.91 1wil s VAL 12 Ca 0.72 -0.51 0.14 0.00 -1.81 0.00 0.00 61.98 60.52 1wil s VAL 12 Cb -0.24 -2.49 0.45 0.00 0.56 0.00 0.00 36.38 34.66 1wil s VAL 12 CO 0.27 0.51 1.02 1.33 -0.31 0.00 0.00 175.10 177.92 1wil n VAL 13 N 3.57 1.49 -2.97 1.32 0.24 -1.26 -5.09 118.33 115.62 1wil n VAL 13 Ca -0.18 -3.66 -0.16 0.00 -2.04 0.00 0.00 64.34 58.31 1wil n VAL 13 Cb 0.53 0.06 0.06 0.00 -1.47 0.00 0.00 33.84 33.01 1wil n VAL 13 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1wil n ASN 14 N -0.25 1.58 0.00 -1.34 2.85 -1.26 -5.07 115.26 111.76 1wil n ASN 14 Ca 0.19 -2.17 0.00 0.00 -0.11 0.00 0.00 54.58 52.50 1wil n ASN 14 Cb 0.78 -0.35 0.00 0.00 1.24 0.00 0.00 39.78 41.44 1wil n ASN 14 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1wil n ASP 15 N -2.53 2.15 -4.53 1.20 8.00 -1.26 -4.91 116.55 114.67 1wil n ASP 15 Ca 0.13 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.20 1wil n ASP 15 Cb 0.47 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.56 1wil n ASP 15 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1wil s GLU 16 N -1.88 3.89 -0.23 -1.24 8.01 -1.26 -4.84 118.70 121.15 1wil s GLU 16 Ca 0.00 -1.97 -0.01 0.00 0.01 0.00 0.00 54.97 53.00 1wil s GLU 16 Cb 0.00 -5.29 0.02 0.00 -4.31 0.00 0.00 34.13 24.55 1wil s GLU 16 CO 0.00 -2.05 -0.10 -1.64 0.01 0.00 0.00 175.26 171.48 1wil s MET 17 N 3.43 2.92 0.34 1.61 -1.94 -1.26 -3.59 119.30 120.81 1wil s MET 17 Ca 0.47 -0.91 -0.25 0.00 -1.71 0.00 0.00 55.69 53.28 1wil s MET 17 Cb 0.00 -2.88 -0.14 0.00 2.01 0.00 0.00 34.83 33.83 1wil s MET 17 CO 0.00 -0.33 0.76 0.00 -0.01 0.00 0.00 175.02 175.44 1wil n ASP 19 N 1.29 0.00 0.00 0.00 -0.08 -1.20 0.19 116.55 116.76 1wil n ASP 19 Ca 0.12 -0.29 0.00 0.00 -1.51 0.00 0.00 54.79 53.11 1wil n ASP 19 Cb 0.34 -0.16 0.00 0.00 2.34 0.00 0.00 41.12 43.65 1wil n ASP 19 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1wil n VAL 20 N -1.16 0.00 -0.01 5.18 0.31 -1.26 -4.80 118.33 116.59 1wil n VAL 20 Ca 0.12 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.48 1wil n VAL 20 Cb 0.12 -0.79 -0.07 0.00 -0.91 0.00 0.00 33.84 32.18 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 -1.93 -4.93 -4.13 0.00 1.02 0.51 -4.77 120.64 106.41 1wil n GLU 22 Ca -0.04 0.56 -0.10 0.00 -0.02 0.00 0.00 57.16 57.56 1wil n GLU 22 Cb 0.36 -5.29 -0.10 0.00 -0.02 0.00 0.00 31.44 26.39 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 -3.44 0.10 0.35 2.62 -7.23 -1.26 -4.57 120.40 106.96 1wil s VAL 23 Ca 0.47 -1.86 0.03 0.00 -1.81 0.00 0.00 61.98 58.81 1wil s VAL 23 Cb -0.24 -2.02 -0.05 0.00 0.56 0.00 0.00 36.38 34.64 1wil s VAL 23 CO 0.84 -0.46 0.09 -1.66 -0.31 0.00 0.00 175.10 173.61 1wil s TRP 24 N -4.04 1.82 0.01 2.82 1.48 -1.24 -2.73 118.94 117.06 1wil s TRP 24 Ca 0.23 -1.13 -0.03 0.00 -1.06 0.00 0.00 56.10 54.12 1wil s TRP 24 Cb 0.07 -1.16 -0.01 0.00 -1.16 0.00 0.00 33.47 31.21 1wil s TRP 24 CO 0.01 -0.18 0.05 0.95 -4.06 0.00 0.00 176.95 173.73 1wil s THR 25 N -3.35 0.08 0.27 0.66 -4.23 -1.26 -5.04 115.64 102.77 1wil s THR 25 Ca 0.32 -0.66 0.00 0.00 -1.18 0.00 0.00 61.69 60.17 1wil s THR 25 Cb 0.06 -0.29 0.26 0.00 1.34 0.00 0.00 72.50 73.87 1wil s THR 25 CO 0.15 -0.36 1.80 0.00 -0.54 0.00 0.00 174.62 175.67 1wil h ALA 26 N 4.79 1.40 -2.24 3.99 0.00 -2.03 -3.43 119.26 121.75 1wil h ALA 26 Ca -0.30 0.05 -0.44 0.00 0.00 0.00 0.00 54.91 54.21 1wil h ALA 26 Cb 1.20 -0.13 0.16 0.00 0.00 0.00 0.00 17.79 19.03 1wil h ALA 26 CO 0.42 0.08 0.26 -1.83 0.00 0.00 0.00 179.25 178.19 1wil s GLU 27 N -5.96 0.23 0.15 0.00 -1.05 -1.26 -4.94 118.70 105.87 1wil s GLU 27 Ca -0.12 0.05 -0.32 0.00 -0.15 0.00 0.00 54.97 54.43 1wil s GLU 27 Cb 0.22 -1.76 -0.12 0.00 -0.44 0.00 0.00 34.13 32.04 1wil s GLU 27 CO 0.79 -2.76 1.77 0.43 0.95 0.00 0.00 175.26 176.44 1wil n SER 28 N -4.11 3.88 -4.87 0.83 7.64 -1.26 -4.98 113.62 110.75 1wil n SER 28 Ca 0.10 1.02 -0.35 0.00 1.01 0.00 0.00 58.87 60.66 1wil n SER 28 Cb 0.59 -1.53 -0.05 0.00 -1.01 0.00 0.00 64.21 62.21 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 2.02 4.37 0.29 -3.43 0.20 -1.26 -5.03 118.68 115.84 1wil s LEU 29 Ca 0.80 0.69 -0.08 0.00 0.69 0.00 0.00 54.13 56.23 1wil s LEU 29 Cb -0.52 -2.79 -0.06 0.00 -0.43 0.00 0.00 46.19 42.39 1wil s LEU 29 CO 0.36 0.23 0.60 -0.36 -0.29 0.00 0.00 176.35 176.89 1wil s PHE 30 N -1.32 3.46 0.03 5.38 0.40 -1.26 -3.05 117.98 121.61 1wil s PHE 30 Ca 0.29 0.80 -0.21 0.00 -0.60 0.00 0.00 56.93 57.21 1wil s PHE 30 Cb -0.14 -2.23 -0.16 0.00 0.51 0.00 0.00 43.02 41.01 1wil s PHE 30 CO 0.16 0.15 1.33 -1.00 0.70 0.00 0.00 175.22 176.56 1wil h PRO 31 N 1.89 0.28 0.00 0.24 0.13 -1.79 -2.59 132.00 130.16 1wil h PRO 31 Ca -0.47 -0.15 -0.47 0.00 -0.87 0.00 0.00 66.00 64.04 1wil h PRO 31 Cb 1.18 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.22 1wil h PRO 31 CO 0.67 0.69 -0.36 0.00 -0.23 0.00 0.00 178.00 178.77 1wil n ARG 33 N -0.88 1.48 -0.03 0.00 0.00 -1.24 -4.50 116.66 111.50 1wil n ARG 33 Ca -0.13 -0.02 -0.13 0.00 -0.00 0.00 0.00 57.85 57.57 1wil n ARG 33 Cb 0.47 -1.09 -0.09 0.00 -0.00 0.00 0.00 32.46 31.76 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 1.38 -2.59 8.89 2.07 -1.97 -3.42 116.25 120.62 1wil h VAL 34 Ca -0.04 -1.20 -0.57 0.00 0.82 0.00 0.00 66.70 65.71 1wil h VAL 34 Cb 0.60 2.09 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 1wil h VAL 34 CO 0.00 0.32 1.26 0.00 0.02 0.00 0.00 177.57 179.17 1wil n THR 36 N 7.05 -0.58 -1.67 0.00 -2.24 -1.26 -4.22 114.28 111.36 1wil n THR 36 Ca 0.22 2.12 -0.42 0.00 -2.27 0.00 0.00 64.05 63.70 1wil n THR 36 Cb 0.46 -2.65 -0.03 0.00 -2.10 0.00 0.00 70.33 66.01 1wil n THR 36 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1wil n ARG 37 N -5.13 2.82 -5.17 -0.78 0.63 -1.26 -4.42 116.66 103.35 1wil n ARG 37 Ca 0.03 1.03 -0.32 0.00 -0.92 0.00 0.00 57.85 57.67 1wil n ARG 37 Cb 0.25 -2.97 -0.15 0.00 0.45 0.00 0.00 32.46 30.04 1wil n ARG 37 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 1wil s VAL 38 N 4.01 2.37 -0.22 5.15 -7.23 -1.26 -4.88 120.40 118.34 1wil s VAL 38 Ca 0.87 -0.98 -0.04 0.00 -1.81 0.00 0.00 61.98 60.03 1wil s VAL 38 Cb -0.46 -1.87 0.11 0.00 0.56 0.00 0.00 36.38 34.73 1wil s VAL 38 CO 0.41 0.58 0.34 0.72 -0.31 0.00 0.00 175.10 176.85 1wil s PHE 39 N -0.58 -0.68 -0.27 2.82 -0.71 -0.98 -3.21 117.98 114.37 1wil s PHE 39 Ca 0.08 0.84 -0.33 0.00 -1.04 0.00 0.00 56.93 56.48 1wil s PHE 39 Cb -0.11 -0.01 -0.10 0.00 -1.21 0.00 0.00 43.02 41.59 1wil s PHE 39 CO 0.00 -0.63 2.14 0.72 -1.34 0.00 0.00 175.22 176.11 1wil n HIS 40 N 5.36 1.82 -0.61 3.49 8.25 -1.23 -2.93 115.22 129.37 1wil n HIS 40 Ca -0.05 0.12 0.48 0.00 -0.26 0.00 0.00 57.72 58.02 1wil n HIS 40 Cb 0.50 -2.61 0.78 0.00 1.12 0.00 0.00 29.99 29.78 1wil n HIS 40 CO 0.00 0.00 0.00 0.38 0.64 0.00 0.00 176.34 177.36 1wil h ASP 41 N 12.55 0.05 0.44 0.41 3.04 -1.98 0.11 116.42 131.04 1wil h ASP 41 Ca -0.35 0.04 -0.02 0.00 -3.24 0.00 0.00 57.03 53.46 1wil h ASP 41 Cb 1.29 0.04 0.00 0.00 -1.04 0.00 0.00 39.33 39.62 1wil h ASP 41 CO 0.99 -0.05 -0.21 1.23 -2.04 0.00 0.00 179.24 179.16 1wil h GLY 42 N 0.01 -0.61 -0.60 7.15 0.00 -1.98 -3.00 103.07 104.04 1wil h GLY 42 Ca 0.89 0.23 0.34 0.00 0.00 0.00 0.00 47.33 48.78 1wil h GLY 42 CO -0.12 -0.22 0.56 0.00 0.00 0.00 0.00 176.54 176.76 1wil h LEU 44 N 0.27 -0.95 -2.27 0.00 3.38 -1.51 -2.54 115.31 111.69 1wil h LEU 44 Ca 0.75 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.78 1wil h LEU 44 Cb 1.76 0.25 -0.00 0.00 0.09 0.00 0.00 40.66 42.75 1wil h LEU 44 CO -0.64 -0.65 0.12 0.08 0.09 0.00 0.00 178.44 177.44 1wil h ARG 45 N -1.17 0.00 0.79 1.13 0.11 -0.88 0.16 114.38 114.52 1wil h ARG 45 Ca -0.11 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.93 1wil h ARG 45 Cb 0.87 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.95 1wil h ARG 45 CO 0.19 0.00 -0.44 -0.09 0.10 0.00 0.00 179.97 179.73 1wil h ARG 46 N 0.00 -1.09 0.02 0.08 1.12 -0.47 -3.35 114.38 110.69 1wil h ARG 46 Ca 0.06 0.07 -0.00 0.00 -1.11 0.00 0.00 59.98 59.00 1wil h ARG 46 Cb 0.30 0.25 0.00 0.00 -0.01 0.00 0.00 29.97 30.51 1wil h ARG 46 CO -0.00 -0.73 -0.01 0.52 -3.11 0.00 0.00 179.97 176.64 1wil h MET 47 N -1.13 -0.03 0.00 0.20 2.86 -1.32 -3.49 114.93 112.02 1wil h MET 47 Ca -0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1wil h MET 47 Cb 0.89 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.56 1wil h MET 47 CO 0.14 0.45 0.00 0.41 1.06 0.00 0.00 176.91 178.97 1wil n GLY 48 N 1.55 0.15 0.13 8.32 0.00 0.52 -5.03 105.19 110.83 1wil n GLY 48 Ca -0.05 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 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 0.76 -0.00 1.61 4.01 -0.83 -4.75 117.16 117.96 1wil n TYR 49 Ca 0.00 0.23 -0.00 0.00 -0.16 0.00 0.00 57.90 57.96 1wil n TYR 49 Cb 0.00 -1.09 -0.01 0.00 -0.31 0.00 0.00 39.34 37.93 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 -3.84 0.06 -3.91 -0.72 -6.64 -1.26 -4.97 119.36 98.08 1wil n ILE 50 Ca -0.38 -0.03 -0.35 0.00 -1.77 0.00 0.00 62.75 60.21 1wil n ILE 50 Cb 0.91 -0.88 -0.14 0.00 -1.44 0.00 0.00 39.64 38.09 1wil n ILE 50 CO 0.00 0.00 0.00 -1.58 -1.77 0.00 0.00 176.55 173.20 1wil s GLN 51 N -2.02 2.63 0.00 6.28 0.74 -1.26 -4.83 119.66 121.20 1wil s GLN 51 Ca -0.01 -1.13 0.00 0.00 0.05 0.00 0.00 55.36 54.27 1wil s GLN 51 Cb 0.00 -3.14 0.00 0.00 1.10 0.00 0.00 33.01 30.97 1wil s GLN 51 CO 0.03 -0.53 0.00 0.41 -0.55 0.00 0.00 175.29 174.65 1wil n GLY 52 N 4.67 0.00 3.16 2.59 0.00 -1.26 -4.32 105.19 110.03 1wil n GLY 52 Ca -0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 1.25 0.12 1.61 1.01 -1.26 -5.06 116.67 114.34 1wil s ASP 53 Ca 0.00 -0.86 -0.12 0.00 0.71 0.00 0.00 52.55 52.28 1wil s ASP 53 Cb 0.00 0.05 -0.11 0.00 1.01 0.00 0.00 42.92 43.87 1wil s ASP 53 CO 0.00 -0.34 1.38 -1.28 0.21 0.00 0.00 175.17 175.14 1wil h SER 54 N 3.44 0.98 0.00 0.27 0.87 -2.03 -2.83 113.55 114.25 1wil h SER 54 Ca -0.36 -0.56 0.00 0.00 -1.23 0.00 0.00 61.79 59.64 1wil h SER 54 Cb 1.18 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 1wil h SER 54 CO 0.56 1.36 0.00 0.00 -0.53 0.00 0.00 176.83 178.22 1wil n ALA 55 N -2.58 2.47 -3.02 6.23 0.00 -1.26 -4.71 120.51 117.64 1wil n ALA 55 Ca -0.05 -0.08 -0.34 0.00 0.00 0.00 0.00 53.44 52.97 1wil n ALA 55 Cb 0.66 -1.20 -0.12 0.00 0.00 0.00 0.00 19.45 18.79 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 -2.00 3.05 -0.51 0.00 0.00 -1.07 -5.04 121.76 116.19 1wil s ALA 56 Ca 0.19 -0.91 0.07 0.00 0.00 0.00 0.00 51.96 51.30 1wil s ALA 56 Cb 0.08 -1.71 0.25 0.00 0.00 0.00 0.00 23.12 21.75 1wil s ALA 56 CO 0.14 0.00 0.64 0.39 0.00 0.00 0.00 175.76 176.93 1wil n GLU 57 N 3.94 1.61 -5.29 0.00 1.02 -1.26 -4.74 120.64 115.92 1wil n GLU 57 Ca -0.17 -3.93 -0.31 0.00 -0.02 0.00 0.00 57.16 52.73 1wil n GLU 57 Cb 0.52 -1.73 -0.16 0.00 -0.02 0.00 0.00 31.44 30.06 1wil n GLU 57 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1wil s VAL 58 N -1.85 2.04 -0.28 2.62 1.01 -1.26 -5.12 120.40 117.56 1wil s VAL 58 Ca 0.38 -1.12 -0.19 0.00 0.00 0.00 0.00 61.98 61.05 1wil s VAL 58 Cb 0.16 -1.70 0.08 0.00 0.00 0.00 0.00 36.38 34.93 1wil s VAL 58 CO -0.06 0.57 0.72 0.28 0.00 0.00 0.00 175.10 176.60 1wil s THR 59 N -0.62 0.00 -1.48 3.92 -1.32 -1.26 -4.94 115.64 109.94 1wil s THR 59 Ca 0.10 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.47 1wil s THR 59 Cb -0.10 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 69.96 1wil s THR 59 CO -0.01 0.00 0.92 -0.62 -2.21 0.00 0.00 174.62 172.70 1wil n GLU 60 N 3.74 -5.45 0.09 7.08 -0.58 -1.26 -4.89 120.64 119.38 1wil n GLU 60 Ca -0.18 0.61 -0.23 0.00 -0.42 0.00 0.00 57.16 56.94 1wil n GLU 60 Cb 0.58 -5.42 -0.15 0.00 -0.57 0.00 0.00 31.44 25.87 1wil n GLU 60 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 1wil h MET 61 N -2.06 0.41 -0.27 3.49 1.85 -2.00 -3.07 114.93 113.28 1wil h MET 61 Ca -0.59 -0.70 0.06 0.00 -0.61 0.00 0.00 59.70 57.86 1wil h MET 61 Cb 1.37 0.26 -0.06 0.00 0.43 0.00 0.00 31.60 33.60 1wil h MET 61 CO 0.65 1.33 -0.11 0.00 -0.40 0.00 0.00 176.91 178.38 1wil h ALA 62 N 0.10 0.12 -0.62 0.39 0.00 -1.90 -2.13 119.26 115.22 1wil h ALA 62 Ca -0.23 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1wil h ALA 62 Cb 1.93 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.97 1wil h ALA 62 CO 0.20 -0.51 0.28 1.25 0.00 0.00 0.00 179.25 180.47 1wil h HIS 63 N -0.06 0.91 -0.29 0.00 6.17 -1.98 -3.24 115.15 116.67 1wil h HIS 63 Ca 0.14 -0.05 0.03 0.00 0.71 0.00 0.00 60.37 61.19 1wil h HIS 63 Cb 0.27 -0.28 -0.03 0.00 2.52 0.00 0.00 27.41 29.89 1wil h HIS 63 CO -0.30 0.70 -0.17 2.41 0.71 0.00 0.00 177.93 181.28 1wil n THR 64 N -4.48 -0.20 -4.50 6.26 -1.04 -0.81 -4.26 114.28 105.26 1wil n THR 64 Ca 0.04 1.56 -0.34 0.00 -2.04 0.00 0.00 64.05 63.28 1wil n THR 64 Cb 0.14 -2.02 -0.12 0.00 -1.82 0.00 0.00 70.33 66.51 1wil n THR 64 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1wil s GLU 65 N -3.81 3.53 -0.96 -2.82 2.12 -1.20 -5.00 118.70 110.57 1wil s GLU 65 Ca -0.03 -0.55 -0.14 0.00 0.36 0.00 0.00 54.97 54.60 1wil s GLU 65 Cb 0.03 -2.83 -0.29 0.00 0.26 0.00 0.00 34.13 31.30 1wil s GLU 65 CO 0.18 0.28 2.26 2.41 -0.54 0.00 0.00 175.26 179.85 1wil n THR 66 N 3.40 -0.00 -1.57 -1.70 -1.04 -1.26 -3.79 114.28 108.32 1wil n THR 66 Ca -0.18 -0.45 0.00 0.00 -2.04 0.00 0.00 64.05 61.39 1wil n THR 66 Cb 0.53 -0.41 0.00 0.00 -1.82 0.00 0.00 70.33 68.63 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 5.82 -4.61 3.72 3.41 0.00 -1.25 -4.92 105.19 107.36 1wil n GLY 67 Ca 0.64 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.32 3.54 -0.39 1.61 -0.11 -1.23 -4.97 118.94 117.07 1wil s TRP 68 Ca 0.00 1.49 -0.25 0.00 1.22 0.00 0.00 56.10 58.56 1wil s TRP 68 Cb 0.00 -3.31 0.02 0.00 -1.50 0.00 0.00 33.47 28.68 1wil s TRP 68 CO 0.00 -0.79 0.88 -1.12 -4.62 0.00 0.00 176.95 171.30 1wil s SER 69 N 0.58 6.59 0.99 5.86 0.01 -1.26 -3.78 113.70 122.68 1wil s SER 69 Ca 0.54 0.38 -0.16 0.00 1.31 0.00 0.00 55.95 58.02 1wil s SER 69 Cb -0.28 -2.44 -0.05 0.00 0.21 0.00 0.00 66.02 63.46 1wil s SER 69 CO 0.31 -0.87 -0.26 0.00 0.41 0.00 0.00 173.24 172.83 1wil h HIS 71 N -1.32 0.00 -0.82 0.00 2.07 -2.03 -2.92 115.15 110.13 1wil h HIS 71 Ca -0.44 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 56.55 1wil h HIS 71 Cb 1.30 0.00 -0.29 0.00 2.57 0.00 0.00 27.41 30.99 1wil h HIS 71 CO 0.28 0.00 0.28 2.48 -3.07 0.00 0.00 177.93 177.90 1wil n TYR 72 N -3.01 2.69 -0.80 6.12 4.11 -1.26 -4.79 117.16 120.22 1wil n TYR 72 Ca 0.01 -2.38 -0.08 0.00 -0.00 0.00 0.00 57.90 55.44 1wil n TYR 72 Cb 0.32 -0.94 -0.12 0.00 -0.00 0.00 0.00 39.34 38.60 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 2.07 -0.67 -0.43 0.00 1.47 -1.26 -5.05 116.67 112.81 1wil s ASP 74 Ca 0.47 1.16 0.04 0.00 1.18 0.00 0.00 52.55 55.40 1wil s ASP 74 Cb 0.22 1.13 0.47 0.00 -0.34 0.00 0.00 42.92 44.40 1wil s ASP 74 CO 0.00 -0.31 1.55 0.59 0.68 0.00 0.00 175.17 177.67 1wil n ASN 75 N 2.16 5.49 -4.72 2.11 4.13 -1.26 -5.03 115.26 118.14 1wil n ASN 75 Ca -0.15 -3.77 -0.42 0.00 1.68 0.00 0.00 54.58 51.93 1wil n ASN 75 Cb 0.56 -0.62 -0.03 0.00 -1.54 0.00 0.00 39.78 38.15 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 -4.44 3.65 -0.92 2.41 -4.36 -1.26 -4.91 121.20 111.37 1wil s ILE 76 Ca 0.55 1.25 -0.25 0.00 -0.26 0.00 0.00 60.65 61.94 1wil s ILE 76 Cb 0.45 -3.80 -0.08 0.00 1.25 0.00 0.00 42.46 40.28 1wil s ILE 76 CO 0.02 0.13 2.05 0.20 0.24 0.00 0.00 174.94 177.57 1wil s ASN 77 N 0.77 4.81 -0.16 4.36 -0.87 -1.26 -4.92 114.94 117.66 1wil s ASN 77 Ca 0.59 -0.65 -0.04 0.00 -1.57 0.00 0.00 52.86 51.18 1wil s ASN 77 Cb -0.33 -2.56 -0.03 0.00 -0.02 0.00 0.00 41.25 38.31 1wil s ASN 77 CO 0.32 -3.09 -0.02 -0.22 -2.57 0.00 0.00 177.10 171.52 1wil s LEU 78 N 11.42 3.33 0.13 0.60 2.96 -1.26 -5.10 118.68 130.76 1wil s LEU 78 Ca 0.75 -0.11 -0.17 0.00 -0.22 0.00 0.00 54.13 54.38 1wil s LEU 78 Cb -0.07 -1.81 -0.07 0.00 0.50 0.00 0.00 46.19 44.73 1wil s LEU 78 CO 0.03 0.16 0.59 -0.76 -1.32 0.00 0.00 176.35 175.05 1wil s LEU 79 N 0.44 4.42 -0.01 -0.68 1.02 -1.26 -5.08 118.68 117.52 1wil s LEU 79 Ca -0.02 1.22 -0.09 0.00 0.02 0.00 0.00 54.13 55.25 1wil s LEU 79 Cb -0.14 -3.18 0.01 0.00 0.02 0.00 0.00 46.19 42.90 1wil s LEU 79 CO 0.02 0.16 0.18 -1.48 0.02 0.00 0.00 176.35 175.25 1wil s LEU 80 N -1.62 1.39 -0.47 1.79 2.34 -1.26 -5.10 118.68 115.75 1wil s LEU 80 Ca 0.35 -0.10 -0.27 0.00 0.06 0.00 0.00 54.13 54.18 1wil s LEU 80 Cb -0.17 0.79 -0.04 0.00 -0.56 0.00 0.00 46.19 46.20 1wil s LEU 80 CO 0.19 -0.36 2.13 0.42 -1.06 0.00 0.00 176.35 177.67 1wil s THR 81 N -1.24 3.18 -0.86 5.48 -4.23 -1.26 -4.91 115.64 111.80 1wil s THR 81 Ca -0.13 0.14 -0.14 0.00 -1.18 0.00 0.00 61.69 60.37 1wil s THR 81 Cb -0.07 -3.40 0.22 0.00 1.34 0.00 0.00 72.50 70.59 1wil s THR 81 CO 0.02 -0.36 0.83 -1.61 -0.54 0.00 0.00 174.62 172.96 1wil s GLU 82 N 7.28 3.66 -0.53 3.99 2.02 -1.26 -4.87 118.70 128.99 1wil s GLU 82 Ca 0.86 -2.48 0.02 0.00 0.02 0.00 0.00 54.97 53.39 1wil s GLU 82 Cb -0.18 -4.48 0.44 0.00 0.10 0.00 0.00 34.13 30.00 1wil s GLU 82 CO 0.26 -1.32 1.61 -1.91 0.02 0.00 0.00 175.26 173.92 1wil n GLU 83 N 4.06 3.13 -3.48 1.61 4.07 -1.26 -4.98 120.64 123.78 1wil n GLU 83 Ca 0.16 -3.79 -0.10 0.00 -0.06 0.00 0.00 57.16 53.37 1wil n GLU 83 Cb 0.46 -2.28 -0.02 0.00 -0.06 0.00 0.00 31.44 29.55 1wil n GLU 83 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 1wil s SER 84 N -2.59 -0.45 0.00 4.31 0.01 -1.26 -5.11 113.70 108.60 1wil s SER 84 Ca 0.56 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.79 1wil s SER 84 Cb 0.45 0.50 0.00 0.00 0.21 0.00 0.00 66.02 67.18 1wil s SER 84 CO -0.07 -0.81 0.00 0.61 0.41 0.00 0.00 173.24 173.38 1wil n GLY 85 N -0.32 -1.81 0.17 3.44 0.00 -1.26 -5.04 105.19 100.37 1wil n GLY 85 Ca -0.12 0.75 0.01 0.00 0.00 0.00 0.00 46.02 46.66 1wil n GLY 85 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wil h PRO 86 N 0.00 0.00 -4.59 1.61 0.13 -2.04 -3.44 132.00 123.67 1wil h PRO 86 Ca 0.00 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.80 1wil h PRO 86 Cb 0.00 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 30.87 1wil h PRO 86 CO 0.00 0.47 -0.76 0.45 -0.23 0.00 0.00 178.00 177.93 1wil s SER 87 N -6.85 0.90 0.79 1.44 0.15 -1.26 -5.14 113.70 103.73 1wil s SER 87 Ca -0.02 -0.30 -0.15 0.00 0.70 0.00 0.00 55.95 56.19 1wil s SER 87 Cb 0.13 -0.05 0.01 0.00 -1.71 0.00 0.00 66.02 64.41 1wil s SER 87 CO 0.74 -0.02 0.73 -1.20 1.20 0.00 0.00 173.24 174.69 1wil n SER 88 N 2.33 -0.61 0.00 5.45 7.64 -1.26 -5.23 113.62 121.94 1wil n SER 88 Ca -0.17 0.54 0.00 0.00 1.01 0.00 0.00 58.87 60.26 1wil n SER 88 Cb 0.56 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 1wil n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64