#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 0.15 -3.64 1.61 2.88 -1.26 -4.94 113.62 108.42 1wil n SER 2 Ca 0.00 1.14 -0.03 0.00 -1.33 0.00 0.00 58.87 58.65 1wil n SER 2 Cb 0.00 -0.90 -0.07 0.00 -0.75 0.00 0.00 64.21 62.50 1wil n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wil s SER 3 N 0.40 -0.53 -0.06 -3.46 0.15 -1.26 -5.09 113.70 103.84 1wil s SER 3 Ca 0.91 0.86 -0.10 0.00 0.70 0.00 0.00 55.95 58.32 1wil s SER 3 Cb -1.28 1.19 -0.03 0.00 -1.71 0.00 0.00 66.02 64.19 1wil s SER 3 CO 0.59 -0.14 -0.20 0.61 1.20 0.00 0.00 173.24 175.31 1wil n GLY 4 N 3.63 -0.33 2.75 9.45 0.00 -1.26 -5.01 105.19 114.41 1wil n GLY 4 Ca -0.18 -0.19 -0.25 0.00 0.00 0.00 0.00 46.02 45.40 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 -5.87 2.26 -0.10 1.61 0.15 -1.26 -5.11 113.70 105.38 1wil s SER 5 Ca -0.16 -0.46 -0.04 0.00 0.70 0.00 0.00 55.95 55.98 1wil s SER 5 Cb 0.02 -0.51 0.05 0.00 -1.71 0.00 0.00 66.02 63.87 1wil s SER 5 CO 0.24 -0.25 0.19 -0.44 1.20 0.00 0.00 173.24 174.18 1wil s SER 6 N 1.92 0.58 0.00 5.45 0.01 -1.26 -5.05 113.70 115.35 1wil s SER 6 Ca 0.02 0.42 0.00 0.00 1.31 0.00 0.00 55.95 57.70 1wil s SER 6 Cb -0.15 0.40 0.00 0.00 0.21 0.00 0.00 66.02 66.49 1wil s SER 6 CO -0.07 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 173.95 1wil n GLY 7 N 5.27 -1.85 0.00 3.44 0.00 -1.26 -5.01 105.19 105.78 1wil n GLY 7 Ca -0.06 0.81 0.07 0.00 0.00 0.00 0.00 46.02 46.84 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 0.00 0.24 -3.47 1.61 -0.04 -1.26 -4.74 135.00 127.35 1wil n PRO 8 Ca 0.00 0.13 -0.32 0.00 -0.04 0.00 0.00 63.50 63.27 1wil n PRO 8 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 1wil n PRO 8 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1wil s ARG 9 N -2.50 3.75 -0.13 0.54 3.03 -1.26 -5.09 118.95 117.29 1wil s ARG 9 Ca 0.15 0.17 -0.03 0.00 2.03 0.00 0.00 55.73 58.06 1wil s ARG 9 Cb 0.10 -2.69 -0.03 0.00 -1.03 0.00 0.00 34.95 31.30 1wil s ARG 9 CO 0.22 0.34 -0.03 -1.21 -1.13 0.00 0.00 175.30 173.49 1wil s GLU 10 N -2.83 3.39 -0.25 3.89 0.41 -1.26 -5.07 118.70 116.98 1wil s GLU 10 Ca 0.46 -0.50 -0.29 0.00 -0.41 0.00 0.00 54.97 54.23 1wil s GLU 10 Cb -0.11 -2.84 -0.02 0.00 -1.78 0.00 0.00 34.13 29.37 1wil s GLU 10 CO 0.23 0.40 1.63 -1.25 -0.49 0.00 0.00 175.26 175.77 1wil s PRO 11 N -0.07 3.71 -0.04 0.39 0.04 -1.26 -4.99 135.00 132.78 1wil s PRO 11 Ca 0.02 1.57 -0.03 0.00 0.04 0.00 0.00 61.00 62.60 1wil s PRO 11 Cb -0.13 -4.06 0.01 0.00 0.04 0.00 0.00 34.50 30.36 1wil s PRO 11 CO 0.02 -1.40 0.10 0.08 0.04 0.00 0.00 177.00 175.85 1wil s VAL 12 N 5.47 -0.00 -0.05 -0.36 1.01 -1.26 -5.15 120.40 120.06 1wil s VAL 12 Ca 0.72 0.01 -0.16 0.00 0.00 0.00 0.00 61.98 62.55 1wil s VAL 12 Cb -0.24 -0.15 -0.05 0.00 0.00 0.00 0.00 36.38 35.94 1wil s VAL 12 CO 0.30 0.01 0.42 -0.69 0.00 0.00 0.00 175.10 175.13 1wil s VAL 13 N 0.13 5.09 0.34 2.92 1.01 -1.26 -4.94 120.40 123.69 1wil s VAL 13 Ca -0.01 0.85 -0.14 0.00 0.00 0.00 0.00 61.98 62.69 1wil s VAL 13 Cb -0.01 -3.74 0.05 0.00 0.00 0.00 0.00 36.38 32.68 1wil s VAL 13 CO -0.00 0.49 0.73 0.59 0.00 0.00 0.00 175.10 176.91 1wil n ASN 14 N 2.48 -2.02 -0.07 3.32 4.13 -1.26 -5.07 115.26 116.76 1wil n ASN 14 Ca -0.12 -2.37 -0.10 0.00 1.68 0.00 0.00 54.58 53.67 1wil n ASN 14 Cb 0.52 3.36 -0.08 0.00 -1.54 0.00 0.00 39.78 42.04 1wil n ASN 14 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1wil n ASP 15 N -1.46 2.53 -2.57 6.41 8.00 -1.26 -4.63 116.55 123.57 1wil n ASP 15 Ca -0.07 -0.06 -0.25 0.00 0.71 0.00 0.00 54.79 55.12 1wil n ASP 15 Cb 0.53 0.05 -0.09 0.00 -0.02 0.00 0.00 41.12 41.59 1wil n ASP 15 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1wil n GLU 16 N -2.82 2.76 -4.20 -1.24 1.02 -1.26 -4.61 120.64 110.29 1wil n GLU 16 Ca -0.26 -1.90 -0.16 0.00 -0.02 0.00 0.00 57.16 54.82 1wil n GLU 16 Cb 0.83 -2.27 -0.14 0.00 -0.02 0.00 0.00 31.44 29.84 1wil n GLU 16 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wil s MET 17 N 0.23 0.57 0.11 3.49 0.23 -1.26 -4.31 119.30 118.36 1wil s MET 17 Ca 0.64 -0.43 -0.34 0.00 -1.03 0.00 0.00 55.69 54.53 1wil s MET 17 Cb 0.29 -0.50 -0.18 0.00 -1.53 0.00 0.00 34.83 32.91 1wil s MET 17 CO -0.08 0.13 0.85 0.00 -2.03 0.00 0.00 175.02 173.88 1wil n ASP 19 N 1.77 0.00 0.00 0.00 2.03 -1.11 0.11 116.55 119.35 1wil n ASP 19 Ca 0.18 -1.28 0.00 0.00 0.52 0.00 0.00 54.79 54.21 1wil n ASP 19 Cb 0.17 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 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 -0.83 0.00 -0.00 5.18 0.31 -1.26 -4.78 118.33 116.94 1wil n VAL 20 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 1wil n VAL 20 Cb 0.07 0.42 -0.00 0.00 -0.91 0.00 0.00 33.84 33.42 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 -1.75 -6.39 -3.98 0.00 1.02 0.30 -4.93 120.64 104.92 1wil n GLU 22 Ca -0.00 0.72 -0.15 0.00 -0.02 0.00 0.00 57.16 57.71 1wil n GLU 22 Cb 0.25 -5.41 -0.15 0.00 -0.02 0.00 0.00 31.44 26.11 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 -3.29 0.19 0.55 2.62 -7.23 -1.26 -4.81 120.40 107.17 1wil s VAL 23 Ca 0.29 -0.02 0.03 0.00 -1.81 0.00 0.00 61.98 60.47 1wil s VAL 23 Cb -0.13 -0.23 0.03 0.00 0.56 0.00 0.00 36.38 36.62 1wil s VAL 23 CO 0.63 0.10 0.25 -2.67 -0.31 0.00 0.00 175.10 173.10 1wil n TRP 24 N 3.55 0.14 -3.70 2.82 4.27 -1.26 -2.53 117.44 120.72 1wil n TRP 24 Ca -0.19 -2.46 -0.14 0.00 -3.89 0.00 0.00 57.50 50.81 1wil n TRP 24 Cb 0.55 -0.41 -0.08 0.00 -1.36 0.00 0.00 31.31 30.01 1wil n TRP 24 CO 0.00 0.00 0.00 0.95 -2.29 0.00 0.00 177.69 176.35 1wil s THR 25 N -2.83 0.05 0.29 -1.67 -4.23 -1.26 -5.04 115.64 100.94 1wil s THR 25 Ca 0.19 -0.38 0.02 0.00 -1.18 0.00 0.00 61.69 60.34 1wil s THR 25 Cb -0.02 -0.75 0.29 0.00 1.34 0.00 0.00 72.50 73.37 1wil s THR 25 CO 0.12 -0.21 1.86 0.00 -0.54 0.00 0.00 174.62 175.85 1wil h ALA 26 N 3.56 1.55 -2.15 3.99 0.00 -2.01 -3.43 119.26 120.76 1wil h ALA 26 Ca -0.29 0.01 -0.43 0.00 0.00 0.00 0.00 54.91 54.19 1wil h ALA 26 Cb 1.17 -0.22 0.17 0.00 0.00 0.00 0.00 17.79 18.91 1wil h ALA 26 CO 0.40 0.23 0.23 -1.21 0.00 0.00 0.00 179.25 178.91 1wil s GLU 27 N -5.92 -0.19 -0.02 0.00 0.41 -1.26 -4.94 118.70 106.78 1wil s GLU 27 Ca -0.12 -0.00 -0.30 0.00 -0.41 0.00 0.00 54.97 54.14 1wil s GLU 27 Cb 0.22 -1.71 -0.06 0.00 -1.78 0.00 0.00 34.13 30.79 1wil s GLU 27 CO 0.81 -3.04 1.65 -1.12 -0.49 0.00 0.00 175.26 173.07 1wil s SER 28 N -4.07 6.66 0.20 -0.19 0.01 -1.26 -4.98 113.70 110.06 1wil s SER 28 Ca 0.69 2.30 -0.25 0.00 1.31 0.00 0.00 55.95 60.00 1wil s SER 28 Cb -0.11 -2.54 -0.08 0.00 0.21 0.00 0.00 66.02 63.50 1wil s SER 28 CO 0.55 -0.91 0.80 -0.22 0.41 0.00 0.00 173.24 173.87 1wil s LEU 29 N 3.69 4.53 0.41 2.44 0.20 -1.26 -4.99 118.68 123.70 1wil s LEU 29 Ca 0.74 1.66 -0.13 0.00 0.69 0.00 0.00 54.13 57.09 1wil s LEU 29 Cb -0.35 -3.45 -0.07 0.00 -0.43 0.00 0.00 46.19 41.89 1wil s LEU 29 CO 0.30 0.15 0.80 -0.36 -0.29 0.00 0.00 176.35 176.96 1wil s PHE 30 N -1.26 3.45 -0.02 5.38 0.40 -1.26 -3.16 117.98 121.51 1wil s PHE 30 Ca 0.39 1.16 -0.26 0.00 -0.60 0.00 0.00 56.93 57.62 1wil s PHE 30 Cb -0.22 -2.52 -0.20 0.00 0.51 0.00 0.00 43.02 40.59 1wil s PHE 30 CO 0.26 -0.11 1.24 -1.00 0.70 0.00 0.00 175.22 176.31 1wil h PRO 31 N 1.40 -0.04 -5.73 0.24 0.13 -1.86 -2.43 132.00 123.71 1wil h PRO 31 Ca -0.47 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.07 1wil h PRO 31 Cb 1.18 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.19 1wil h PRO 31 CO 0.64 0.44 -0.65 0.00 -0.23 0.00 0.00 178.00 178.19 1wil n ARG 33 N -0.80 0.69 0.12 0.00 1.85 -1.23 -4.50 116.66 112.80 1wil n ARG 33 Ca -0.05 0.01 -0.14 0.00 -1.00 0.00 0.00 57.85 56.67 1wil n ARG 33 Cb 0.65 -1.53 -0.08 0.00 -1.05 0.00 0.00 32.46 30.45 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 0.85 -1.90 8.89 2.07 -1.97 -3.41 116.25 120.79 1wil h VAL 34 Ca -0.54 -0.15 -0.60 0.00 0.82 0.00 0.00 66.70 66.23 1wil h VAL 34 Cb 2.23 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 32.95 1wil h VAL 34 CO 0.03 0.04 1.47 0.00 0.02 0.00 0.00 177.57 179.12 1wil h THR 36 N 7.04 0.14 -3.37 0.00 1.03 -1.93 -3.32 112.91 112.49 1wil h THR 36 Ca -0.40 0.00 -0.66 0.00 -0.01 0.00 0.00 66.41 65.34 1wil h THR 36 Cb 1.25 0.21 -0.16 0.00 -1.07 0.00 0.00 68.15 68.38 1wil h THR 36 CO 0.97 0.00 0.17 -0.60 -0.01 0.00 0.00 175.52 176.05 1wil s ARG 37 N -4.61 3.22 -0.13 0.00 6.06 -1.26 -4.51 118.95 117.72 1wil s ARG 37 Ca -0.04 -0.58 -0.02 0.00 -2.50 0.00 0.00 55.73 52.59 1wil s ARG 37 Cb 0.17 -4.03 -0.03 0.00 0.06 0.00 0.00 34.95 31.12 1wil s ARG 37 CO 0.59 -1.19 -0.05 0.14 -2.50 0.00 0.00 175.30 172.29 1wil s VAL 38 N 2.95 3.83 -0.15 7.11 -7.23 -1.25 -4.85 120.40 120.81 1wil s VAL 38 Ca 0.21 -0.39 -0.08 0.00 -1.81 0.00 0.00 61.98 59.90 1wil s VAL 38 Cb -0.16 -2.65 0.05 0.00 0.56 0.00 0.00 36.38 34.19 1wil s VAL 38 CO 0.16 0.53 0.36 0.72 -0.31 0.00 0.00 175.10 176.56 1wil s PHE 39 N 0.02 -0.51 -0.33 2.82 -0.12 -0.92 -2.74 117.98 116.20 1wil s PHE 39 Ca 0.00 1.12 -0.28 0.00 -0.05 0.00 0.00 56.93 57.73 1wil s PHE 39 Cb -0.13 0.20 -0.06 0.00 -0.63 0.00 0.00 43.02 42.39 1wil s PHE 39 CO 0.03 -0.30 2.29 0.72 -0.05 0.00 0.00 175.22 177.91 1wil n HIS 40 N 4.16 1.75 -0.47 3.49 8.25 -1.25 -2.93 115.22 128.22 1wil n HIS 40 Ca -0.23 -0.02 0.37 0.00 -0.26 0.00 0.00 57.72 57.59 1wil n HIS 40 Cb 0.55 -2.68 0.60 0.00 1.12 0.00 0.00 29.99 29.57 1wil n HIS 40 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1wil n ASP 41 N 12.96 0.08 0.11 0.41 9.92 -1.26 0.77 116.55 139.54 1wil n ASP 41 Ca 0.34 0.94 -0.12 0.00 -0.53 0.00 0.00 54.79 55.41 1wil n ASP 41 Cb 0.46 -0.46 -0.08 0.00 -0.64 0.00 0.00 41.12 40.40 1wil n ASP 41 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1wil h GLY 42 N 0.00 -0.34 -0.60 0.44 0.00 -1.98 -2.91 103.07 97.68 1wil h GLY 42 Ca 0.72 0.13 0.36 0.00 0.00 0.00 0.00 47.33 48.54 1wil h GLY 42 CO -0.18 -0.12 0.83 0.00 0.00 0.00 0.00 176.54 177.07 1wil h LEU 44 N 0.16 -0.63 -1.37 0.00 3.38 -1.46 -0.50 115.31 114.89 1wil h LEU 44 Ca 0.67 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.76 1wil h LEU 44 Cb 2.19 0.16 -0.05 0.00 0.09 0.00 0.00 40.66 43.05 1wil h LEU 44 CO -0.21 -0.22 0.51 0.08 0.09 0.00 0.00 178.44 178.68 1wil h ARG 45 N -1.20 0.67 0.54 1.13 0.11 -0.99 -0.67 114.38 113.98 1wil h ARG 45 Ca -0.08 -0.04 -0.03 0.00 0.10 0.00 0.00 59.98 59.94 1wil h ARG 45 Cb 0.57 -0.15 0.01 0.00 1.11 0.00 0.00 29.97 31.51 1wil h ARG 45 CO 0.13 0.45 -0.26 -0.09 0.10 0.00 0.00 179.97 180.29 1wil h ARG 46 N 0.69 -0.70 0.02 0.08 1.12 -0.65 -3.34 114.38 111.61 1wil h ARG 46 Ca 0.36 0.05 0.02 0.00 -1.11 0.00 0.00 59.98 59.30 1wil h ARG 46 Cb 0.48 0.16 -0.05 0.00 -0.01 0.00 0.00 29.97 30.55 1wil h ARG 46 CO -0.14 -0.47 -0.54 0.52 -3.11 0.00 0.00 179.97 176.24 1wil h MET 47 N -1.08 -0.67 0.00 0.20 2.86 -0.87 -3.47 114.93 111.90 1wil h MET 47 Ca -0.07 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1wil h MET 47 Cb 0.56 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.37 1wil h MET 47 CO 0.12 -0.44 0.00 0.41 1.06 0.00 0.00 176.91 178.06 1wil n GLY 48 N -1.47 0.18 0.65 8.32 0.00 -0.28 -5.10 105.19 107.49 1wil n GLY 48 Ca -0.08 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.21 1.61 4.01 -1.03 -4.75 117.16 116.79 1wil n TYR 49 Ca 0.00 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.77 1wil n TYR 49 Cb 0.00 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.10 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 -2.50 -0.25 -4.30 -0.72 5.41 -1.26 -4.37 119.36 111.37 1wil n ILE 50 Ca 0.00 1.31 -0.18 0.00 1.00 0.00 0.00 62.75 64.88 1wil n ILE 50 Cb 0.00 -1.80 -0.10 0.00 -0.71 0.00 0.00 39.64 37.02 1wil n ILE 50 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1wil s GLN 51 N -5.69 1.21 0.00 0.38 -0.21 -1.26 -5.09 119.66 109.00 1wil s GLN 51 Ca -0.08 -1.46 0.00 0.00 0.02 0.00 0.00 55.36 53.83 1wil s GLN 51 Cb 0.15 -1.02 0.00 0.00 1.00 0.00 0.00 33.01 33.14 1wil s GLN 51 CO 0.44 0.18 0.00 0.41 -2.12 0.00 0.00 175.29 174.20 1wil n GLY 52 N -0.05 -0.35 2.31 3.09 0.00 -1.26 -4.79 105.19 104.13 1wil n GLY 52 Ca -0.11 0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 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 7.08 -3.71 1.61 5.75 -1.26 -4.93 116.55 121.09 1wil n ASP 53 Ca 0.00 -3.76 -0.10 0.00 -0.01 0.00 0.00 54.79 50.92 1wil n ASP 53 Cb 0.00 -0.95 -0.04 0.00 -1.03 0.00 0.00 41.12 39.10 1wil n ASP 53 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1wil s SER 54 N -1.78 -0.23 0.27 -1.12 0.15 -1.26 -5.19 113.70 104.54 1wil s SER 54 Ca 0.64 -0.45 0.03 0.00 0.70 0.00 0.00 55.95 56.87 1wil s SER 54 Cb 0.50 0.53 -0.06 0.00 -1.71 0.00 0.00 66.02 65.28 1wil s SER 54 CO 0.01 -0.96 0.03 0.00 1.20 0.00 0.00 173.24 173.51 1wil s ALA 55 N -3.85 2.01 0.07 5.45 0.00 -1.26 -4.98 121.76 119.19 1wil s ALA 55 Ca 0.07 -1.88 -0.27 0.00 0.00 0.00 0.00 51.96 49.88 1wil s ALA 55 Cb 0.01 0.61 0.09 0.00 0.00 0.00 0.00 23.12 23.82 1wil s ALA 55 CO -0.06 -0.29 1.15 0.00 0.00 0.00 0.00 175.76 176.56 1wil s ALA 56 N -3.40 -1.99 -0.77 0.00 0.00 -1.26 -5.10 121.76 109.23 1wil s ALA 56 Ca 0.32 0.28 -0.03 0.00 0.00 0.00 0.00 51.96 52.53 1wil s ALA 56 Cb 0.07 0.57 0.19 0.00 0.00 0.00 0.00 23.12 23.95 1wil s ALA 56 CO 0.12 -1.07 0.63 -1.83 0.00 0.00 0.00 175.76 173.62 1wil s GLU 57 N -2.58 3.01 0.24 0.00 -1.05 -1.26 -5.04 118.70 112.01 1wil s GLU 57 Ca 0.17 -2.88 0.02 0.00 -0.15 0.00 0.00 54.97 52.13 1wil s GLU 57 Cb 0.01 -3.91 -0.05 0.00 -0.44 0.00 0.00 34.13 29.74 1wil s GLU 57 CO -0.00 -1.23 0.04 0.14 0.95 0.00 0.00 175.26 175.16 1wil s VAL 58 N -0.65 0.80 -0.01 1.83 -7.23 -1.26 -5.06 120.40 108.82 1wil s VAL 58 Ca 0.22 -2.01 0.01 0.00 -1.81 0.00 0.00 61.98 58.40 1wil s VAL 58 Cb -0.13 -2.45 -0.02 0.00 0.56 0.00 0.00 36.38 34.34 1wil s VAL 58 CO -0.08 -0.21 0.02 0.41 -0.31 0.00 0.00 175.10 174.93 1wil n THR 59 N -0.42 0.03 -3.22 5.32 -1.04 -1.26 -5.04 114.28 108.65 1wil n THR 59 Ca -0.03 -0.04 -0.15 0.00 -2.04 0.00 0.00 64.05 61.79 1wil n THR 59 Cb 0.65 -0.05 0.07 0.00 -1.82 0.00 0.00 70.33 69.18 1wil n THR 59 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1wil n GLU 60 N -1.73 -5.64 -1.76 -2.82 1.02 -1.26 -4.88 120.64 103.58 1wil n GLU 60 Ca -0.01 0.67 -0.39 0.00 -0.02 0.00 0.00 57.16 57.42 1wil n GLU 60 Cb 0.22 -5.19 -0.03 0.00 -0.02 0.00 0.00 31.44 26.41 1wil n GLU 60 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1wil s MET 61 N -5.40 2.56 0.00 3.49 -1.94 -1.26 -4.65 119.30 112.11 1wil s MET 61 Ca 0.15 1.28 0.00 0.00 -1.71 0.00 0.00 55.69 55.41 1wil s MET 61 Cb -0.07 -4.45 0.00 0.00 2.01 0.00 0.00 34.83 32.33 1wil s MET 61 CO 0.58 -2.77 0.00 0.00 -0.01 0.00 0.00 175.02 172.82 1wil n ALA 62 N 13.67 2.76 -0.03 3.03 0.00 -1.26 -1.49 120.51 137.19 1wil n ALA 62 Ca 0.29 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.58 1wil n ALA 62 Cb 0.52 0.37 -0.09 0.00 0.00 0.00 0.00 19.45 20.25 1wil n ALA 62 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wil h HIS 63 N 0.00 0.64 -3.15 0.00 3.86 -1.96 -3.37 115.15 111.17 1wil h HIS 63 Ca 0.00 -0.28 -0.50 0.00 -1.16 0.00 0.00 60.37 58.43 1wil h HIS 63 Cb 0.74 -0.10 0.22 0.00 1.06 0.00 0.00 27.41 29.33 1wil h HIS 63 CO 0.00 1.04 -0.63 2.41 0.86 0.00 0.00 177.93 181.62 1wil n THR 64 N -4.29 0.00 -0.96 2.45 -1.04 -1.26 -4.75 114.28 104.44 1wil n THR 64 Ca -0.08 -0.22 -0.37 0.00 -2.04 0.00 0.00 64.05 61.34 1wil n THR 64 Cb 0.57 -0.67 0.05 0.00 -1.82 0.00 0.00 70.33 68.47 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 -2.21 -0.15 -4.37 -2.82 2.13 -1.26 -2.37 120.64 109.59 1wil n GLU 65 Ca 0.05 -0.04 -0.36 0.00 0.66 0.00 0.00 57.16 57.48 1wil n GLU 65 Cb 0.56 -1.13 -0.08 0.00 0.27 0.00 0.00 31.44 31.06 1wil n GLU 65 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1wil n THR 66 N -3.10 -0.78 -1.10 6.31 -2.24 -1.26 -4.70 114.28 107.41 1wil n THR 66 Ca -0.01 -0.27 -0.40 0.00 -2.27 0.00 0.00 64.05 61.10 1wil n THR 66 Cb 0.63 -0.99 -0.04 0.00 -2.10 0.00 0.00 70.33 67.83 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 -1.87 -0.77 3.75 3.38 0.00 -1.00 -4.83 105.19 103.85 1wil n GLY 67 Ca -0.12 0.42 -0.41 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 -0.38 3.41 0.21 1.61 -0.00 -0.56 -4.97 118.94 118.26 1wil s TRP 68 Ca 0.59 1.52 -0.22 0.00 -0.00 0.00 0.00 56.10 57.99 1wil s TRP 68 Cb -0.83 -3.42 -0.08 0.00 -0.00 0.00 0.00 33.47 29.13 1wil s TRP 68 CO 0.43 -1.09 0.75 -1.54 -0.00 0.00 0.00 176.95 175.50 1wil s SER 69 N -0.39 7.17 0.83 5.86 1.04 -1.26 -4.82 113.70 122.12 1wil s SER 69 Ca 0.49 1.50 -0.04 0.00 0.48 0.00 0.00 55.95 58.39 1wil s SER 69 Cb -0.34 -2.45 0.06 0.00 0.10 0.00 0.00 66.02 63.39 1wil s SER 69 CO 0.41 0.08 0.13 0.00 0.98 0.00 0.00 173.24 174.85 1wil h HIS 71 N -2.03 -0.06 -0.41 0.00 2.76 -1.97 -3.28 115.15 110.15 1wil h HIS 71 Ca -0.06 -0.00 0.12 0.00 -2.20 0.00 0.00 60.37 58.23 1wil h HIS 71 Cb 0.20 0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.16 1wil h HIS 71 CO 0.00 -0.04 0.94 1.88 -1.30 0.00 0.00 177.93 179.41 1wil h TYR 72 N -0.27 0.00 0.09 5.26 0.05 -2.03 0.16 116.97 120.22 1wil h TYR 72 Ca -0.01 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.79 1wil h TYR 72 Cb 0.05 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.76 1wil h TYR 72 CO 0.03 0.00 -0.20 0.00 -1.05 0.00 0.00 178.16 176.94 1wil s ASP 74 N -4.90 0.53 -0.06 0.00 2.15 0.55 -5.07 116.67 109.89 1wil s ASP 74 Ca -0.15 0.35 -0.30 0.00 0.43 0.00 0.00 52.55 52.89 1wil s ASP 74 Cb 0.08 0.30 -0.04 0.00 -0.30 0.00 0.00 42.92 42.95 1wil s ASP 74 CO 0.66 -0.22 1.43 0.20 -0.17 0.00 0.00 175.17 177.06 1wil s ASN 75 N 2.07 6.83 0.01 -0.34 -0.87 -1.26 -4.86 114.94 116.52 1wil s ASN 75 Ca 0.00 2.03 -0.30 0.00 -1.57 0.00 0.00 52.86 53.02 1wil s ASN 75 Cb -0.12 -2.55 -0.06 0.00 -0.02 0.00 0.00 41.25 38.50 1wil s ASN 75 CO -0.06 -0.78 1.48 -0.63 -2.57 0.00 0.00 177.10 174.53 1wil s ILE 76 N 3.13 3.54 -0.05 0.60 -1.09 -1.26 -4.93 121.20 121.14 1wil s ILE 76 Ca 0.64 0.92 -0.24 0.00 -2.23 0.00 0.00 60.65 59.74 1wil s ILE 76 Cb -0.29 -3.59 -0.19 0.00 -1.58 0.00 0.00 42.46 36.81 1wil s ILE 76 CO 0.24 -0.01 1.04 0.78 -1.23 0.00 0.00 174.94 175.76 1wil h ASN 77 N 8.07 -0.10 -1.68 3.58 4.21 -1.99 -3.38 115.58 124.29 1wil h ASN 77 Ca -0.39 -0.46 -0.67 0.00 1.21 0.00 0.00 56.30 55.99 1wil h ASN 77 Cb 1.18 0.03 -0.14 0.00 -1.12 0.00 0.00 38.32 38.27 1wil h ASN 77 CO 0.91 0.46 1.39 -0.22 -1.29 0.00 0.00 177.43 178.68 1wil s LEU 78 N -9.03 4.35 -0.41 1.61 2.96 -1.26 -4.97 118.68 111.93 1wil s LEU 78 Ca -0.15 -2.12 -0.21 0.00 -0.22 0.00 0.00 54.13 51.44 1wil s LEU 78 Cb 0.01 -2.49 0.02 0.00 0.50 0.00 0.00 46.19 44.23 1wil s LEU 78 CO 0.58 -1.16 0.65 -0.22 -1.32 0.00 0.00 176.35 174.88 1wil s LEU 79 N 3.46 4.39 -0.39 -0.68 1.98 -1.26 -4.97 118.68 121.22 1wil s LEU 79 Ca 0.43 -0.15 -0.35 0.00 -2.89 0.00 0.00 54.13 51.16 1wil s LEU 79 Cb -0.01 -2.77 -0.15 0.00 0.66 0.00 0.00 46.19 43.92 1wil s LEU 79 CO -0.05 -0.73 1.63 -0.11 -1.89 0.00 0.00 176.35 175.21 1wil n LEU 80 N 6.23 0.63 -4.14 -0.68 -0.00 -1.26 -4.59 117.00 113.19 1wil n LEU 80 Ca -0.01 0.58 -0.59 0.00 -0.00 0.00 0.00 56.01 55.99 1wil n LEU 80 Cb 0.48 -0.71 -0.09 0.00 -0.00 0.00 0.00 43.42 43.11 1wil n LEU 80 CO 0.53 -0.61 1.02 1.07 -0.00 0.00 0.00 177.39 179.39 1wil n THR 81 N 4.88 0.00 -3.64 1.96 5.66 -1.26 -4.92 114.28 116.96 1wil n THR 81 Ca 0.41 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 61.40 1wil n THR 81 Cb -0.03 -0.44 -0.04 0.00 -1.55 0.00 0.00 70.33 68.27 1wil n THR 81 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1wil s GLU 82 N 2.68 0.57 -0.72 1.09 2.02 -1.26 -5.05 118.70 118.03 1wil s GLU 82 Ca 0.92 1.41 -0.02 0.00 0.02 0.00 0.00 54.97 57.30 1wil s GLU 82 Cb -1.31 0.83 0.34 0.00 0.10 0.00 0.00 34.13 34.09 1wil s GLU 82 CO 0.71 -0.19 2.12 -1.91 0.02 0.00 0.00 175.26 176.01 1wil n GLU 83 N 5.38 2.64 -1.80 1.61 4.07 -1.26 -4.48 120.64 126.79 1wil n GLU 83 Ca -0.12 -3.21 -0.15 0.00 -0.06 0.00 0.00 57.16 53.62 1wil n GLU 83 Cb 0.50 -2.23 0.06 0.00 -0.06 0.00 0.00 31.44 29.71 1wil n GLU 83 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1wil n SER 84 N -0.45 3.86 0.00 4.31 7.64 -1.26 -4.99 113.62 122.73 1wil n SER 84 Ca 0.55 -3.57 0.00 0.00 1.01 0.00 0.00 58.87 56.86 1wil n SER 84 Cb 0.42 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 1wil n SER 84 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wil n GLY 85 N -0.75 1.38 0.00 0.23 0.00 -1.26 -5.00 105.19 99.79 1wil n GLY 85 Ca 0.34 0.48 0.07 0.00 0.00 0.00 0.00 46.02 46.92 1wil n GLY 85 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wil n PRO 86 N 0.00 0.21 -1.97 1.61 -0.04 -1.26 -3.11 135.00 130.44 1wil n PRO 86 Ca 0.00 0.15 -0.33 0.00 -0.04 0.00 0.00 63.50 63.28 1wil n PRO 86 Cb 0.00 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 31.99 1wil n PRO 86 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wil n SER 87 N -1.28 6.38 -3.76 3.54 3.41 -1.26 -4.98 113.62 115.67 1wil n SER 87 Ca 0.07 -3.78 -0.04 0.00 -0.26 0.00 0.00 58.87 54.86 1wil n SER 87 Cb 0.12 -0.77 -0.01 0.00 -0.26 0.00 0.00 64.21 63.28 1wil n SER 87 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wil s SER 88 N -2.31 -0.20 0.00 4.04 0.01 -1.18 -5.21 113.70 108.85 1wil s SER 88 Ca 0.53 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 57.37 1wil s SER 88 Cb 0.44 0.52 0.00 0.00 0.21 0.00 0.00 66.02 67.19 1wil s SER 88 CO -0.20 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.10