#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 1.91 -0.01 1.61 0.01 -1.26 -5.06 113.70 110.90 1wil s SER 2 Ca 0.00 1.72 -0.18 0.00 1.31 0.00 0.00 55.95 58.80 1wil s SER 2 Cb 0.00 -2.36 0.03 0.00 0.21 0.00 0.00 66.02 63.90 1wil s SER 2 CO 0.00 -3.66 0.39 -0.44 0.41 0.00 0.00 173.24 169.94 1wil s SER 3 N -2.70 -0.28 0.29 2.44 0.01 -1.26 -5.18 113.70 107.03 1wil s SER 3 Ca 0.67 0.17 -0.19 0.00 1.31 0.00 0.00 55.95 57.91 1wil s SER 3 Cb -0.23 0.37 0.06 0.00 0.21 0.00 0.00 66.02 66.43 1wil s SER 3 CO 0.61 -0.51 0.90 -0.83 0.41 0.00 0.00 173.24 173.82 1wil s GLY 4 N -1.43 0.21 -1.37 3.44 0.00 -1.26 -4.98 107.32 101.93 1wil s GLY 4 Ca -0.12 -0.51 -0.06 0.00 0.00 0.00 0.00 44.72 44.03 1wil s GLY 4 CO 0.04 0.86 0.94 1.44 0.00 0.00 0.00 173.10 176.38 1wil n SER 5 N -1.25 -3.56 -4.66 1.64 7.64 -1.26 -4.86 113.62 107.32 1wil n SER 5 Ca -0.06 -0.72 -0.47 0.00 1.01 0.00 0.00 58.87 58.63 1wil n SER 5 Cb 0.60 -4.37 -0.04 0.00 -1.01 0.00 0.00 64.21 59.38 1wil n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wil n SER 6 N -2.99 2.91 -3.41 6.43 7.64 -1.26 -4.94 113.62 118.00 1wil n SER 6 Ca -0.12 1.08 -0.26 0.00 1.01 0.00 0.00 58.87 60.58 1wil n SER 6 Cb 0.60 -1.39 -0.09 0.00 -1.01 0.00 0.00 64.21 62.33 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 3.35 3.62 0.00 0.23 0.00 -1.26 -4.91 105.19 106.22 1wil n GLY 7 Ca 0.18 -2.11 0.08 0.00 0.00 0.00 0.00 46.02 44.16 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 1.49 0.32 -4.43 1.61 -0.04 -1.26 -4.72 135.00 127.97 1wil n PRO 8 Ca 0.25 0.09 -0.23 0.00 -0.04 0.00 0.00 63.50 63.57 1wil n PRO 8 Cb 0.45 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.31 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 -2.36 1.56 -0.18 0.54 0.52 -1.26 -5.15 118.95 112.61 1wil s ARG 9 Ca 0.18 -1.67 -0.16 0.00 -0.52 0.00 0.00 55.73 53.56 1wil s ARG 9 Cb 0.10 -1.62 0.05 0.00 0.52 0.00 0.00 34.95 34.00 1wil s ARG 9 CO 0.21 0.31 0.48 -1.83 0.02 0.00 0.00 175.30 174.49 1wil s GLU 10 N -3.36 0.55 -0.15 3.54 -1.05 -1.26 -5.13 118.70 111.84 1wil s GLU 10 Ca 0.26 0.70 -0.29 0.00 -0.15 0.00 0.00 54.97 55.49 1wil s GLU 10 Cb -0.05 0.24 -0.03 0.00 -0.44 0.00 0.00 34.13 33.85 1wil s GLU 10 CO 0.12 -0.08 1.56 -1.25 0.95 0.00 0.00 175.26 176.56 1wil s PRO 11 N 0.42 4.02 -0.29 -4.83 0.04 -1.26 -4.96 135.00 128.15 1wil s PRO 11 Ca -0.01 1.86 -0.22 0.00 0.04 0.00 0.00 61.00 62.66 1wil s PRO 11 Cb -0.04 -3.96 0.17 0.00 0.04 0.00 0.00 34.50 30.70 1wil s PRO 11 CO -0.01 -1.01 1.22 0.54 0.04 0.00 0.00 177.00 177.77 1wil s VAL 12 N 4.43 0.00 0.28 -0.36 0.11 -1.26 -5.18 120.40 118.41 1wil s VAL 12 Ca 0.69 0.00 0.11 0.00 -2.93 0.00 0.00 61.98 59.85 1wil s VAL 12 Cb -0.27 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.53 1wil s VAL 12 CO 0.26 0.00 -0.16 0.68 -3.33 0.00 0.00 175.10 172.56 1wil s VAL 13 N 0.44 2.70 -0.27 2.04 -7.23 -1.26 -5.12 120.40 111.70 1wil s VAL 13 Ca 0.01 -2.29 -0.01 0.00 -1.81 0.00 0.00 61.98 57.88 1wil s VAL 13 Cb -0.04 -2.42 0.04 0.00 0.56 0.00 0.00 36.38 34.51 1wil s VAL 13 CO -0.12 -0.39 -0.05 0.54 -0.31 0.00 0.00 175.10 174.77 1wil s ASN 14 N -3.54 4.50 -0.03 4.85 4.22 -1.26 -5.01 114.94 118.67 1wil s ASN 14 Ca 0.30 -1.06 -0.00 0.00 -2.14 0.00 0.00 52.86 49.96 1wil s ASN 14 Cb -0.05 -1.66 -0.00 0.00 1.28 0.00 0.00 41.25 40.81 1wil s ASN 14 CO 0.16 -0.18 -0.00 0.44 -2.04 0.00 0.00 177.10 175.48 1wil h ASP 15 N 7.98 0.00 -3.40 3.54 3.32 -2.04 -3.47 116.42 122.36 1wil h ASP 15 Ca -0.27 0.00 -0.42 0.00 0.02 0.00 0.00 57.03 56.36 1wil h ASP 15 Cb 1.08 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.28 1wil h ASP 15 CO 0.55 0.14 -0.77 -1.61 -1.72 0.00 0.00 179.24 175.83 1wil s GLU 16 N -1.16 0.78 -0.02 3.56 8.01 -1.26 -4.99 118.70 123.62 1wil s GLU 16 Ca -0.00 -0.05 -0.03 0.00 0.01 0.00 0.00 54.97 54.90 1wil s GLU 16 Cb 0.00 -0.89 0.00 0.00 -4.31 0.00 0.00 34.13 28.94 1wil s GLU 16 CO 0.00 -0.15 0.07 -1.64 0.01 0.00 0.00 175.26 173.55 1wil s MET 17 N 1.23 0.14 0.07 1.61 -1.94 -1.26 -4.36 119.30 114.79 1wil s MET 17 Ca -0.06 -0.01 -0.36 0.00 -1.71 0.00 0.00 55.69 53.54 1wil s MET 17 Cb -0.14 0.06 -0.19 0.00 2.01 0.00 0.00 34.83 36.57 1wil s MET 17 CO -0.02 -0.02 0.91 0.00 -0.01 0.00 0.00 175.02 175.88 1wil n ASP 19 N 1.68 0.00 0.00 0.00 8.00 -1.23 0.15 116.55 125.15 1wil n ASP 19 Ca 0.19 -1.29 0.00 0.00 0.71 0.00 0.00 54.79 54.40 1wil n ASP 19 Cb 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 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 -0.74 0.00 0.00 2.53 0.31 -1.26 -4.83 118.33 114.34 1wil n VAL 20 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 1wil n VAL 20 Cb 0.04 0.34 0.00 0.00 -0.91 0.00 0.00 33.84 33.32 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 -5.69 -3.73 0.00 1.02 0.38 -4.90 120.64 106.00 1wil n GLU 22 Ca 0.00 0.65 -0.13 0.00 -0.02 0.00 0.00 57.16 57.66 1wil n GLU 22 Cb 0.38 -5.11 -0.13 0.00 -0.02 0.00 0.00 31.44 26.55 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 -3.26 -0.07 0.43 2.62 -7.23 -1.26 -4.76 120.40 106.87 1wil s VAL 23 Ca 0.25 0.17 0.08 0.00 -1.81 0.00 0.00 61.98 60.66 1wil s VAL 23 Cb -0.11 -0.36 -0.00 0.00 0.56 0.00 0.00 36.38 36.47 1wil s VAL 23 CO 0.56 0.07 0.48 -1.66 -0.31 0.00 0.00 175.10 174.24 1wil s TRP 24 N 1.34 2.62 -0.06 2.82 1.48 -1.26 -3.63 118.94 122.25 1wil s TRP 24 Ca -0.08 -0.49 -0.13 0.00 -1.06 0.00 0.00 56.10 54.34 1wil s TRP 24 Cb -0.11 -2.24 0.03 0.00 -1.16 0.00 0.00 33.47 29.99 1wil s TRP 24 CO -0.08 -0.31 0.32 0.99 -4.06 0.00 0.00 176.95 173.80 1wil s THR 25 N -2.45 0.03 0.15 0.66 2.01 -1.26 -5.05 115.64 109.73 1wil s THR 25 Ca 0.51 -0.28 -0.10 0.00 0.31 0.00 0.00 61.69 62.13 1wil s THR 25 Cb -0.06 -0.55 0.17 0.00 0.01 0.00 0.00 72.50 72.07 1wil s THR 25 CO 0.30 -0.15 0.98 0.00 -0.69 0.00 0.00 174.62 175.06 1wil n ALA 26 N 1.96 -0.05 -2.58 7.40 0.00 -1.26 -4.63 120.51 121.35 1wil n ALA 26 Ca -0.18 0.64 -0.15 0.00 0.00 0.00 0.00 53.44 53.74 1wil n ALA 26 Cb 0.57 -0.30 -0.07 0.00 0.00 0.00 0.00 19.45 19.65 1wil n ALA 26 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1wil s GLU 27 N -5.62 1.69 -0.50 0.00 -1.05 -1.26 -4.91 118.70 107.05 1wil s GLU 27 Ca -0.09 -1.77 0.00 0.00 -0.15 0.00 0.00 54.97 52.96 1wil s GLU 27 Cb 0.13 0.37 0.00 0.00 -0.44 0.00 0.00 34.13 34.20 1wil s GLU 27 CO 0.46 -0.65 0.00 0.45 0.95 0.00 0.00 175.26 176.46 1wil n SER 28 N -1.14 -2.53 -4.30 0.83 2.88 -1.26 -4.99 113.62 103.10 1wil n SER 28 Ca 0.03 0.02 -0.46 0.00 -1.33 0.00 0.00 58.87 57.13 1wil n SER 28 Cb 0.63 -1.69 -0.03 0.00 -0.75 0.00 0.00 64.21 62.36 1wil n SER 28 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1wil s LEU 29 N -1.57 6.58 0.40 2.46 2.96 -1.26 -5.01 118.68 123.24 1wil s LEU 29 Ca 0.00 -2.73 -0.11 0.00 -0.22 0.00 0.00 54.13 51.07 1wil s LEU 29 Cb 0.00 -2.17 -0.07 0.00 0.50 0.00 0.00 46.19 44.46 1wil s LEU 29 CO 0.00 -0.54 0.77 -0.36 -1.32 0.00 0.00 176.35 174.90 1wil s PHE 30 N 0.11 3.46 -0.02 5.38 0.40 -1.26 -3.30 117.98 122.75 1wil s PHE 30 Ca 0.18 1.06 -0.25 0.00 -0.60 0.00 0.00 56.93 57.33 1wil s PHE 30 Cb -0.11 -2.46 -0.18 0.00 0.51 0.00 0.00 43.02 40.78 1wil s PHE 30 CO -0.08 -0.10 1.17 -1.00 0.70 0.00 0.00 175.22 175.91 1wil h PRO 31 N 1.30 -0.14 -2.13 0.24 0.13 -1.84 -0.92 132.00 128.65 1wil h PRO 31 Ca -0.47 0.01 0.08 0.00 -0.87 0.00 0.00 66.00 64.75 1wil h PRO 31 Cb 1.19 0.03 -0.17 0.00 0.13 0.00 0.00 31.00 32.18 1wil h PRO 31 CO 0.64 0.30 0.46 0.00 -0.23 0.00 0.00 178.00 179.17 1wil h ARG 33 N 2.23 0.00 0.00 0.00 -0.00 -1.79 -3.30 114.38 111.52 1wil h ARG 33 Ca -0.22 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.75 1wil h ARG 33 Cb 1.22 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.19 1wil h ARG 33 CO 0.32 0.09 -0.01 0.28 -0.00 0.00 0.00 179.97 180.65 1wil h VAL 34 N 0.00 0.04 -0.59 0.08 2.07 -1.96 -2.16 116.25 113.73 1wil h VAL 34 Ca -0.02 -0.20 -0.33 0.00 0.82 0.00 0.00 66.70 66.97 1wil h VAL 34 Cb 1.12 1.19 -0.18 0.00 -1.52 0.00 0.00 31.29 31.89 1wil h VAL 34 CO 0.01 0.01 0.42 0.00 0.02 0.00 0.00 177.57 178.03 1wil n THR 36 N -0.33 0.00 -3.65 0.00 -1.04 -0.81 -4.77 114.28 103.69 1wil n THR 36 Ca 0.36 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 62.34 1wil n THR 36 Cb 1.04 -0.22 -0.07 0.00 -1.82 0.00 0.00 70.33 69.26 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 -4.69 0.19 -0.00 -2.82 6.06 -1.26 -5.04 118.95 111.38 1wil s ARG 37 Ca 0.37 0.26 0.01 0.00 -2.50 0.00 0.00 55.73 53.87 1wil s ARG 37 Cb -0.22 0.07 -0.00 0.00 0.06 0.00 0.00 34.95 34.86 1wil s ARG 37 CO 0.46 -0.03 -0.03 0.14 -2.50 0.00 0.00 175.30 173.34 1wil s VAL 38 N 0.51 0.24 -0.23 7.11 -7.23 -1.26 -4.34 120.40 115.21 1wil s VAL 38 Ca 0.00 -0.13 -0.03 0.00 -1.81 0.00 0.00 61.98 60.01 1wil s VAL 38 Cb -0.04 -0.21 0.12 0.00 0.56 0.00 0.00 36.38 36.81 1wil s VAL 38 CO -0.12 0.07 0.36 0.72 -0.31 0.00 0.00 175.10 175.81 1wil s PHE 39 N -0.07 -0.73 -0.48 2.82 -0.12 -0.36 -3.48 117.98 115.56 1wil s PHE 39 Ca 0.01 0.83 -0.44 0.00 -0.05 0.00 0.00 56.93 57.29 1wil s PHE 39 Cb -0.01 -0.00 -0.19 0.00 -0.63 0.00 0.00 43.02 42.19 1wil s PHE 39 CO -0.00 -0.66 1.85 0.72 -0.05 0.00 0.00 175.22 177.07 1wil n HIS 40 N 5.36 1.36 -0.28 3.49 8.25 -1.21 -3.92 115.22 128.28 1wil n HIS 40 Ca -0.04 0.90 0.20 0.00 -0.26 0.00 0.00 57.72 58.51 1wil n HIS 40 Cb 0.50 -2.19 0.49 0.00 1.12 0.00 0.00 29.99 29.91 1wil n HIS 40 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 1wil h ASP 41 N 7.06 0.46 0.06 0.41 1.82 -1.97 0.19 116.42 124.46 1wil h ASP 41 Ca -0.23 0.06 -0.10 0.00 -0.39 0.00 0.00 57.03 56.37 1wil h ASP 41 Cb 1.35 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 41.32 1wil h ASP 41 CO 1.01 0.16 -0.32 1.23 -1.61 0.00 0.00 179.24 179.71 1wil h GLY 42 N 0.44 0.41 1.20 -0.78 0.00 -1.97 -2.65 103.07 99.72 1wil h GLY 42 Ca 0.52 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 47.44 1wil h GLY 42 CO -0.23 0.32 0.17 0.00 0.00 0.00 0.00 176.54 176.80 1wil h LEU 44 N 0.96 -0.57 -1.11 0.00 3.38 -1.34 -1.85 115.31 114.78 1wil h LEU 44 Ca 0.21 -0.04 0.16 0.00 0.09 0.00 0.00 57.88 58.29 1wil h LEU 44 Cb 0.32 0.15 -0.09 0.00 0.09 0.00 0.00 40.66 41.13 1wil h LEU 44 CO -0.00 -0.16 0.61 0.08 0.09 0.00 0.00 178.44 179.06 1wil h ARG 45 N -1.10 0.79 0.44 1.13 0.11 -1.49 0.67 114.38 114.92 1wil h ARG 45 Ca -0.07 -0.05 -0.02 0.00 0.10 0.00 0.00 59.98 59.94 1wil h ARG 45 Cb 0.58 -0.18 0.00 0.00 1.11 0.00 0.00 29.97 31.48 1wil h ARG 45 CO 0.11 0.52 -0.21 -0.09 0.10 0.00 0.00 179.97 180.40 1wil h ARG 46 N 0.81 -0.57 0.36 0.08 1.12 -1.16 -3.35 114.38 111.68 1wil h ARG 46 Ca 0.51 0.04 -0.02 0.00 -1.11 0.00 0.00 59.98 59.40 1wil h ARG 46 Cb 0.73 0.13 0.00 0.00 -0.01 0.00 0.00 29.97 30.82 1wil h ARG 46 CO -0.28 -0.30 -0.17 0.52 -3.11 0.00 0.00 179.97 176.63 1wil h MET 47 N -0.77 -0.47 0.00 0.20 2.86 -0.71 -3.49 114.93 112.56 1wil h MET 47 Ca -0.06 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1wil h MET 47 Cb 0.54 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.30 1wil h MET 47 CO 0.10 -0.31 0.00 0.41 1.06 0.00 0.00 176.91 178.17 1wil n GLY 48 N -0.03 0.21 0.11 8.32 0.00 0.23 -5.08 105.19 108.95 1wil n GLY 48 Ca -0.06 0.00 -0.23 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 0.79 -0.16 1.61 4.01 -0.99 -4.51 117.16 117.90 1wil n TYR 49 Ca 0.00 0.34 -0.04 0.00 -0.16 0.00 0.00 57.90 58.04 1wil n TYR 49 Cb 0.00 -1.06 -0.04 0.00 -0.31 0.00 0.00 39.34 37.93 1wil n TYR 49 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 1wil n ILE 50 N -4.40 -0.27 -3.62 -0.72 5.41 -1.26 -4.72 119.36 109.78 1wil n ILE 50 Ca -0.36 1.41 -0.09 0.00 1.00 0.00 0.00 62.75 64.71 1wil n ILE 50 Cb 0.70 -1.78 -0.06 0.00 -0.71 0.00 0.00 39.64 37.79 1wil n ILE 50 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 1wil s GLN 51 N -4.32 0.47 0.00 0.38 0.74 -1.26 -5.09 119.66 110.58 1wil s GLN 51 Ca -0.05 0.39 0.00 0.00 0.05 0.00 0.00 55.36 55.75 1wil s GLN 51 Cb 0.04 0.23 0.00 0.00 1.10 0.00 0.00 33.01 34.38 1wil s GLN 51 CO 0.24 -0.09 0.59 0.41 -0.55 0.00 0.00 175.29 175.89 1wil n GLY 52 N 1.65 -2.91 3.42 2.59 0.00 -1.26 -4.83 105.19 103.85 1wil n GLY 52 Ca -0.11 0.60 -0.13 0.00 0.00 0.00 0.00 46.02 46.38 1wil n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wil s ASP 53 N -2.71 0.46 0.45 1.61 2.15 -1.26 -5.06 116.67 112.31 1wil s ASP 53 Ca 0.00 -1.31 0.03 0.00 0.43 0.00 0.00 52.55 51.70 1wil s ASP 53 Cb 0.00 0.55 -0.04 0.00 -0.30 0.00 0.00 42.92 43.14 1wil s ASP 53 CO 0.00 -1.10 0.03 -0.55 -0.17 0.00 0.00 175.17 173.38 1wil s SER 54 N -3.16 3.69 0.00 -0.34 0.15 -1.26 -5.03 113.70 107.75 1wil s SER 54 Ca 0.31 -1.56 0.19 0.00 0.70 0.00 0.00 55.95 55.59 1wil s SER 54 Cb 0.02 0.23 0.70 0.00 -1.71 0.00 0.00 66.02 65.26 1wil s SER 54 CO 0.15 -0.74 1.51 0.00 1.20 0.00 0.00 173.24 175.36 1wil n ALA 55 N -1.08 2.51 -3.53 5.45 0.00 -1.26 -4.91 120.51 117.70 1wil n ALA 55 Ca -0.12 -0.51 -0.08 0.00 0.00 0.00 0.00 53.44 52.74 1wil n ALA 55 Cb 0.67 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 19.01 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 -1.77 -1.88 -0.81 0.00 0.00 -1.26 -5.10 121.76 110.94 1wil s ALA 56 Ca 0.31 1.18 -0.26 0.00 0.00 0.00 0.00 51.96 53.18 1wil s ALA 56 Cb 0.16 0.23 0.03 0.00 0.00 0.00 0.00 23.12 23.55 1wil s ALA 56 CO 0.24 -0.65 1.34 -1.21 0.00 0.00 0.00 175.76 175.49 1wil s GLU 57 N -2.85 3.28 0.35 0.00 2.02 -1.26 -4.97 118.70 115.26 1wil s GLU 57 Ca 0.06 -0.45 0.06 0.00 0.02 0.00 0.00 54.97 54.66 1wil s GLU 57 Cb -0.01 -4.49 -0.07 0.00 0.10 0.00 0.00 34.13 29.67 1wil s GLU 57 CO -0.07 -2.18 0.00 0.14 0.02 0.00 0.00 175.26 173.16 1wil s VAL 58 N 5.64 1.67 -0.06 2.63 -7.23 -1.26 -5.16 120.40 116.63 1wil s VAL 58 Ca 0.39 -2.04 -0.03 0.00 -1.81 0.00 0.00 61.98 58.48 1wil s VAL 58 Cb -0.06 -2.79 0.04 0.00 0.56 0.00 0.00 36.38 34.13 1wil s VAL 58 CO 0.09 -0.08 0.14 -0.89 -0.31 0.00 0.00 175.10 174.05 1wil s THR 59 N -2.96 -0.05 0.39 5.32 2.01 -1.26 -5.16 115.64 113.93 1wil s THR 59 Ca 0.34 0.18 -0.03 0.00 0.31 0.00 0.00 61.69 62.49 1wil s THR 59 Cb 0.08 -0.24 -0.04 0.00 0.01 0.00 0.00 72.50 72.31 1wil s THR 59 CO 0.16 0.07 0.64 -0.70 -0.69 0.00 0.00 174.62 174.10 1wil s GLU 60 N 1.16 3.54 -0.10 4.92 2.56 -1.26 -5.10 118.70 124.43 1wil s GLU 60 Ca -0.09 -0.06 0.01 0.00 0.00 0.00 0.00 54.97 54.83 1wil s GLU 60 Cb -0.11 -2.55 0.02 0.00 2.00 0.00 0.00 34.13 33.48 1wil s GLU 60 CO -0.06 0.03 -0.11 0.00 -0.56 0.00 0.00 175.26 174.56 1wil s MET 61 N -4.32 1.75 -0.28 4.30 0.23 -1.26 -5.02 119.30 114.70 1wil s MET 61 Ca 0.44 -0.38 -0.13 0.00 -1.03 0.00 0.00 55.69 54.58 1wil s MET 61 Cb -0.10 -1.60 -0.12 0.00 -1.53 0.00 0.00 34.83 31.48 1wil s MET 61 CO 0.38 -0.13 -0.35 0.00 -2.03 0.00 0.00 175.02 172.90 1wil n ALA 62 N 4.40 1.20 -1.94 3.16 0.00 -1.26 -4.57 120.51 121.51 1wil n ALA 62 Ca -0.18 -1.10 -0.37 0.00 0.00 0.00 0.00 53.44 51.80 1wil n ALA 62 Cb 0.51 0.12 -0.04 0.00 0.00 0.00 0.00 19.45 20.04 1wil n ALA 62 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1wil n HIS 63 N -4.21 3.07 -4.05 0.00 1.44 -1.26 -3.93 115.22 106.28 1wil n HIS 63 Ca -0.54 -2.02 -0.10 0.00 -2.01 0.00 0.00 57.72 53.05 1wil n HIS 63 Cb 0.89 -2.41 -0.08 0.00 0.12 0.00 0.00 29.99 28.52 1wil n HIS 63 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 1wil s THR 64 N 7.25 0.04 0.35 0.61 -4.23 -1.26 -5.00 115.64 113.41 1wil s THR 64 Ca 0.60 -1.61 0.04 0.00 -1.18 0.00 0.00 61.69 59.54 1wil s THR 64 Cb 0.05 -2.10 0.28 0.00 1.34 0.00 0.00 72.50 72.07 1wil s THR 64 CO 0.10 -0.19 1.99 -0.33 -0.54 0.00 0.00 174.62 175.65 1wil h GLU 65 N 2.54 0.79 0.00 3.99 3.07 -1.99 -1.16 114.58 121.83 1wil h GLU 65 Ca -0.32 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 58.42 1wil h GLU 65 Cb 1.23 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.95 1wil h GLU 65 CO 0.48 0.52 -0.37 1.79 -1.40 0.00 0.00 179.01 180.03 1wil h THR 66 N 0.82 0.64 -2.86 1.13 1.35 -1.96 -3.50 112.91 108.52 1wil h THR 66 Ca 0.27 -1.90 0.35 0.00 -0.55 0.00 0.00 66.41 64.58 1wil h THR 66 Cb 0.06 2.31 -0.09 0.00 -1.73 0.00 0.00 68.15 68.70 1wil h THR 66 CO -0.07 0.36 -0.50 0.61 -0.25 0.00 0.00 175.52 175.66 1wil n GLY 67 N 1.19 -1.91 3.28 5.82 0.00 -0.44 -4.86 105.19 108.27 1wil n GLY 67 Ca 0.03 -1.19 -0.32 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.21 2.57 -0.33 1.61 -0.00 -1.25 -4.92 118.94 114.42 1wil s TRP 68 Ca 0.00 -0.82 -0.29 0.00 -0.00 0.00 0.00 56.10 54.99 1wil s TRP 68 Cb 0.00 -1.69 0.01 0.00 -0.00 0.00 0.00 33.47 31.79 1wil s TRP 68 CO 0.00 -0.28 1.17 -1.54 -0.00 0.00 0.00 176.95 176.30 1wil s SER 69 N 0.11 6.80 0.47 5.86 1.04 -1.26 -4.98 113.70 121.74 1wil s SER 69 Ca -0.11 1.05 -0.20 0.00 0.48 0.00 0.00 55.95 57.17 1wil s SER 69 Cb -0.16 -2.54 -0.13 0.00 0.10 0.00 0.00 66.02 63.28 1wil s SER 69 CO 0.06 -1.00 0.21 0.00 0.98 0.00 0.00 173.24 173.50 1wil h HIS 71 N 0.32 0.48 0.00 0.00 2.76 -2.01 -1.18 115.15 115.52 1wil h HIS 71 Ca -0.40 0.02 -0.32 0.00 -2.20 0.00 0.00 60.37 57.47 1wil h HIS 71 Cb 1.43 -0.11 -0.05 0.00 1.55 0.00 0.00 27.41 30.23 1wil h HIS 71 CO 0.29 -0.25 -1.80 0.66 -1.30 0.00 0.00 177.93 175.53 1wil n TYR 72 N -4.69 0.50 -1.67 5.26 4.02 -1.26 -4.93 117.16 114.39 1wil n TYR 72 Ca 0.40 0.22 -0.45 0.00 -0.01 0.00 0.00 57.90 58.05 1wil n TYR 72 Cb 1.56 -1.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.84 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 0.66 -0.08 -0.05 0.00 -1.08 -1.26 -3.65 116.67 111.20 1wil s ASP 74 Ca 0.74 -0.17 0.04 0.00 -0.52 0.00 0.00 52.55 52.64 1wil s ASP 74 Cb -0.66 0.31 -0.00 0.00 -1.46 0.00 0.00 42.92 41.11 1wil s ASP 74 CO 0.43 -0.53 -0.18 0.54 0.52 0.00 0.00 175.17 175.95 1wil s ASN 75 N -1.80 2.28 -0.03 -0.34 4.22 -1.26 -5.13 114.94 112.88 1wil s ASN 75 Ca -0.08 -0.38 0.04 0.00 -2.14 0.00 0.00 52.86 50.29 1wil s ASN 75 Cb -0.03 -0.75 -0.03 0.00 1.28 0.00 0.00 41.25 41.72 1wil s ASN 75 CO -0.01 0.14 -0.12 0.27 -2.04 0.00 0.00 177.10 175.35 1wil s ILE 76 N 0.16 3.28 0.07 0.54 -4.36 -1.26 -5.12 121.20 114.52 1wil s ILE 76 Ca -0.07 -0.76 -0.27 0.00 -0.26 0.00 0.00 60.65 59.28 1wil s ILE 76 Cb -0.13 -2.35 0.08 0.00 1.25 0.00 0.00 42.46 41.32 1wil s ILE 76 CO 0.03 0.51 0.93 0.21 0.24 0.00 0.00 174.94 176.86 1wil s ASN 77 N -1.02 -0.27 0.09 4.36 3.84 -1.26 -5.06 114.94 115.61 1wil s ASN 77 Ca 0.14 -0.19 -0.30 0.00 0.21 0.00 0.00 52.86 52.72 1wil s ASN 77 Cb -0.11 0.43 -0.14 0.00 -0.55 0.00 0.00 41.25 40.88 1wil s ASN 77 CO 0.03 -0.75 1.64 0.25 -2.79 0.00 0.00 177.10 175.48 1wil h LEU 78 N 2.00 -0.73 -9.25 3.21 5.85 -2.09 -3.42 115.31 110.89 1wil h LEU 78 Ca -0.23 0.06 -0.69 0.00 0.84 0.00 0.00 57.88 57.85 1wil h LEU 78 Cb 1.24 0.23 0.06 0.00 0.37 0.00 0.00 40.66 42.56 1wil h LEU 78 CO 0.28 -0.42 0.37 0.00 -0.34 0.00 0.00 178.44 178.33 1wil n LEU 79 N -5.41 1.41 -3.96 2.25 -0.00 -1.26 -4.97 117.00 105.07 1wil n LEU 79 Ca -0.10 1.13 -0.09 0.00 -0.00 0.00 0.00 56.01 56.95 1wil n LEU 79 Cb 0.31 -1.16 -0.10 0.00 -0.00 0.00 0.00 43.42 42.47 1wil n LEU 79 CO 0.31 -1.20 -0.27 -0.22 -0.00 0.00 0.00 177.39 176.02 1wil s LEU 80 N 0.48 1.98 0.01 1.47 2.96 -1.26 -5.11 118.68 119.21 1wil s LEU 80 Ca 0.83 -0.54 -0.32 0.00 -0.22 0.00 0.00 54.13 53.88 1wil s LEU 80 Cb -0.98 0.41 -0.16 0.00 0.50 0.00 0.00 46.19 45.96 1wil s LEU 80 CO 0.49 -0.44 0.86 0.35 -1.32 0.00 0.00 176.35 176.28 1wil n THR 81 N 1.02 0.08 -4.21 3.68 -2.24 -1.26 -4.92 114.28 106.43 1wil n THR 81 Ca -0.20 -0.02 -0.34 0.00 -2.27 0.00 0.00 64.05 61.22 1wil n THR 81 Cb 0.57 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.72 1wil n THR 81 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1wil s GLU 82 N -0.04 3.02 -0.08 -0.78 2.12 -1.26 -5.11 118.70 116.58 1wil s GLU 82 Ca 0.74 -0.44 -0.31 0.00 0.36 0.00 0.00 54.97 55.32 1wil s GLU 82 Cb -1.03 -2.83 0.09 0.00 0.26 0.00 0.00 34.13 30.61 1wil s GLU 82 CO 0.47 0.68 0.76 -2.00 -0.54 0.00 0.00 175.26 174.63 1wil s GLU 83 N -1.32 0.94 0.08 4.30 2.12 -1.26 -5.13 118.70 118.42 1wil s GLU 83 Ca 0.18 0.21 -0.29 0.00 0.36 0.00 0.00 54.97 55.43 1wil s GLU 83 Cb -0.12 0.44 -0.16 0.00 0.26 0.00 0.00 34.13 34.56 1wil s GLU 83 CO 0.08 -0.30 0.68 -1.13 -0.54 0.00 0.00 175.26 174.05 1wil n SER 84 N 0.83 -0.51 -3.42 -1.70 3.41 -1.26 -4.93 113.62 106.04 1wil n SER 84 Ca -0.17 0.96 -0.27 0.00 -0.26 0.00 0.00 58.87 59.13 1wil n SER 84 Cb 0.57 -0.79 -0.11 0.00 -0.26 0.00 0.00 64.21 63.63 1wil n SER 84 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wil s GLY 85 N -0.41 1.14 -1.03 5.00 0.00 -1.26 -5.07 107.32 105.70 1wil s GLY 85 Ca 0.66 -2.34 -0.24 0.00 0.00 0.00 0.00 44.72 42.80 1wil s GLY 85 CO 0.48 2.10 1.94 2.56 0.00 0.00 0.00 173.10 180.18 1wil s PRO 86 N 0.27 2.52 0.21 2.90 0.04 -1.26 -4.93 135.00 134.76 1wil s PRO 86 Ca 0.29 -0.69 0.11 0.00 0.04 0.00 0.00 61.00 60.76 1wil s PRO 86 Cb -0.03 -5.14 -0.05 0.00 0.04 0.00 0.00 34.50 29.33 1wil s PRO 86 CO -0.15 -3.66 -0.23 0.45 0.04 0.00 0.00 177.00 173.45 1wil s SER 87 N 7.34 3.43 -0.39 6.66 0.15 -1.26 -5.05 113.70 124.58 1wil s SER 87 Ca 0.69 -0.89 -0.36 0.00 0.70 0.00 0.00 55.95 56.09 1wil s SER 87 Cb -0.04 -0.26 -0.15 0.00 -1.71 0.00 0.00 66.02 63.86 1wil s SER 87 CO 0.06 0.10 1.36 -0.24 1.20 0.00 0.00 173.24 175.72 1wil n SER 88 N 0.12 0.85 0.00 5.45 2.88 -1.26 -5.33 113.62 116.33 1wil n SER 88 Ca -0.11 0.82 0.00 0.00 -1.33 0.00 0.00 58.87 58.25 1wil n SER 88 Cb 0.57 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 1wil n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42