#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 -0.29 0.11 1.61 1.04 -1.26 -5.19 113.70 109.72 1wil s SER 2 Ca 0.00 -0.39 -0.07 0.00 0.48 0.00 0.00 55.95 55.97 1wil s SER 2 Cb 0.00 0.59 -0.01 0.00 0.10 0.00 0.00 66.02 66.70 1wil s SER 2 CO 0.00 -1.07 0.18 -0.44 0.98 0.00 0.00 173.24 172.89 1wil s SER 3 N -2.86 0.16 0.19 7.02 0.01 -1.26 -5.07 113.70 111.88 1wil s SER 3 Ca 0.09 -0.81 0.00 0.00 1.31 0.00 0.00 55.95 56.55 1wil s SER 3 Cb -0.03 0.35 0.00 0.00 0.21 0.00 0.00 66.02 66.55 1wil s SER 3 CO 0.01 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 173.50 1wil n GLY 4 N -0.09 -1.77 0.26 3.44 0.00 -1.26 -4.97 105.19 100.79 1wil n GLY 4 Ca -0.12 0.50 0.03 0.00 0.00 0.00 0.00 46.02 46.44 1wil n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1wil h SER 5 N 0.00 -0.25 -2.81 1.61 0.87 -2.10 -3.42 113.55 107.44 1wil h SER 5 Ca 0.00 0.17 -0.51 0.00 -1.23 0.00 0.00 61.79 60.22 1wil h SER 5 Cb 0.00 0.29 -0.14 0.00 -0.44 0.00 0.00 62.40 62.11 1wil h SER 5 CO 0.00 -0.13 -0.70 -0.44 -0.53 0.00 0.00 176.83 175.04 1wil s SER 6 N -5.22 2.90 -0.72 6.23 0.01 -1.26 -5.10 113.70 110.55 1wil s SER 6 Ca -0.13 -1.14 0.04 0.00 1.31 0.00 0.00 55.95 56.03 1wil s SER 6 Cb 0.21 -0.19 0.20 0.00 0.21 0.00 0.00 66.02 66.44 1wil s SER 6 CO 0.75 -0.26 0.62 0.61 0.41 0.00 0.00 173.24 175.37 1wil n GLY 7 N -0.57 4.28 0.00 3.44 0.00 -1.26 -4.89 105.19 106.19 1wil n GLY 7 Ca -0.06 -2.65 0.03 0.00 0.00 0.00 0.00 46.02 43.34 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 1.68 0.49 -1.54 1.61 -0.04 -1.26 -4.76 135.00 131.18 1wil n PRO 8 Ca 0.23 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.44 1wil n PRO 8 Cb 0.37 -1.17 -0.11 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.67 0.47 -3.64 0.54 0.63 -1.26 -4.78 116.66 107.94 1wil n ARG 9 Ca 0.04 -0.33 -0.05 0.00 -0.92 0.00 0.00 57.85 56.58 1wil n ARG 9 Cb 0.02 -2.71 -0.07 0.00 0.45 0.00 0.00 32.46 30.15 1wil n ARG 9 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 1wil s GLU 10 N 8.35 0.28 0.38 -0.14 -1.05 -1.26 -5.16 118.70 120.09 1wil s GLU 10 Ca 1.09 0.35 -0.26 0.00 -0.15 0.00 0.00 54.97 56.00 1wil s GLU 10 Cb -0.47 0.13 -0.09 0.00 -0.44 0.00 0.00 34.13 33.26 1wil s GLU 10 CO 0.30 -0.04 1.20 -1.25 0.95 0.00 0.00 175.26 176.42 1wil s PRO 11 N 0.26 4.13 -0.29 -4.83 0.04 -1.26 -5.04 135.00 128.02 1wil s PRO 11 Ca 0.04 1.92 -0.25 0.00 0.04 0.00 0.00 61.00 62.75 1wil s PRO 11 Cb -0.05 -2.78 0.17 0.00 0.04 0.00 0.00 34.50 31.88 1wil s PRO 11 CO -0.11 -0.28 1.30 0.54 0.04 0.00 0.00 177.00 178.49 1wil s VAL 12 N -1.34 0.00 -0.16 -0.36 0.11 -1.26 -5.16 120.40 112.23 1wil s VAL 12 Ca 0.55 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.58 1wil s VAL 12 Cb -0.33 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.51 1wil s VAL 12 CO 0.42 0.00 -0.09 0.68 -3.33 0.00 0.00 175.10 172.78 1wil s VAL 13 N -0.00 3.28 -0.53 2.04 -7.23 -1.26 -5.07 120.40 111.63 1wil s VAL 13 Ca 0.06 -0.56 0.04 0.00 -1.81 0.00 0.00 61.98 59.71 1wil s VAL 13 Cb -0.05 -2.42 0.14 0.00 0.56 0.00 0.00 36.38 34.61 1wil s VAL 13 CO -0.12 0.49 0.29 0.20 -0.31 0.00 0.00 175.10 175.65 1wil s ASN 14 N 0.72 4.24 -0.08 4.85 0.01 -1.26 -4.95 114.94 118.47 1wil s ASN 14 Ca -0.04 -3.06 -0.24 0.00 -0.71 0.00 0.00 52.86 48.81 1wil s ASN 14 Cb -0.15 -1.53 -0.20 0.00 0.41 0.00 0.00 41.25 39.78 1wil s ASN 14 CO 0.02 -0.22 0.91 0.44 -1.51 0.00 0.00 177.10 176.74 1wil h ASP 15 N 6.38 -0.05 -3.74 -1.22 3.32 -1.97 -3.41 116.42 115.73 1wil h ASP 15 Ca -0.04 -0.61 -0.68 0.00 0.02 0.00 0.00 57.03 55.73 1wil h ASP 15 Cb 0.88 0.01 -0.37 0.00 0.22 0.00 0.00 39.33 40.07 1wil h ASP 15 CO 0.66 0.64 -0.59 -1.61 -1.72 0.00 0.00 179.24 176.62 1wil s GLU 16 N -3.14 1.91 -0.08 3.56 8.01 -1.26 -4.40 118.70 123.30 1wil s GLU 16 Ca -0.15 -2.02 -0.03 0.00 0.01 0.00 0.00 54.97 52.77 1wil s GLU 16 Cb -0.00 -3.46 0.04 0.00 -4.31 0.00 0.00 34.13 26.40 1wil s GLU 16 CO 0.59 -1.05 0.16 -1.64 0.01 0.00 0.00 175.26 173.33 1wil s MET 17 N 0.74 0.07 0.34 1.61 -1.94 -1.26 -4.12 119.30 114.74 1wil s MET 17 Ca 0.11 0.49 -0.26 0.00 -1.71 0.00 0.00 55.69 54.32 1wil s MET 17 Cb -0.22 -0.22 -0.13 0.00 2.01 0.00 0.00 34.83 36.27 1wil s MET 17 CO -0.05 -0.25 0.94 0.00 -0.01 0.00 0.00 175.02 175.66 1wil n ASP 19 N 1.05 0.00 -0.02 0.00 2.03 -1.23 0.16 116.55 118.55 1wil n ASP 19 Ca 0.10 0.05 -0.01 0.00 0.52 0.00 0.00 54.79 55.44 1wil n ASP 19 Cb 0.35 -0.34 -0.03 0.00 -0.72 0.00 0.00 41.12 40.38 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 -1.34 0.24 -0.02 5.18 0.31 -1.26 -4.77 118.33 116.67 1wil n VAL 20 Ca 0.11 -0.16 -0.01 0.00 -0.01 0.00 0.00 64.34 64.26 1wil n VAL 20 Cb 0.23 -0.72 -0.05 0.00 -0.91 0.00 0.00 33.84 32.38 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 -2.10 -4.95 -3.77 0.00 -0.58 0.43 -4.84 120.64 104.83 1wil n GLU 22 Ca -0.08 0.59 -0.13 0.00 -0.42 0.00 0.00 57.16 57.13 1wil n GLU 22 Cb 0.56 -5.21 -0.12 0.00 -0.57 0.00 0.00 31.44 26.10 1wil n GLU 22 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1wil s VAL 23 N -3.58 -0.01 0.43 2.62 -7.23 -1.26 -4.70 120.40 106.66 1wil s VAL 23 Ca 0.21 0.04 0.07 0.00 -1.81 0.00 0.00 61.98 60.49 1wil s VAL 23 Cb -0.10 -0.36 -0.03 0.00 0.56 0.00 0.00 36.38 36.45 1wil s VAL 23 CO 0.83 0.02 0.30 -1.66 -0.31 0.00 0.00 175.10 174.27 1wil s TRP 24 N 0.45 2.52 -0.03 2.82 1.48 -1.26 -4.00 118.94 120.92 1wil s TRP 24 Ca -0.03 -0.58 -0.05 0.00 -1.06 0.00 0.00 56.10 54.38 1wil s TRP 24 Cb -0.04 -2.05 0.01 0.00 -1.16 0.00 0.00 33.47 30.22 1wil s TRP 24 CO -0.02 -0.05 0.13 0.95 -4.06 0.00 0.00 176.95 173.90 1wil s THR 25 N -2.57 0.03 0.38 0.66 -4.23 -1.26 -5.03 115.64 103.62 1wil s THR 25 Ca 0.43 -0.24 0.19 0.00 -1.18 0.00 0.00 61.69 60.90 1wil s THR 25 Cb -0.00 -0.27 0.38 0.00 1.34 0.00 0.00 72.50 73.95 1wil s THR 25 CO 0.25 -0.13 1.68 0.00 -0.54 0.00 0.00 174.62 175.88 1wil h ALA 26 N 5.40 2.21 -2.23 3.99 0.00 -2.03 -3.41 119.26 123.19 1wil h ALA 26 Ca -0.27 0.14 -0.44 0.00 0.00 0.00 0.00 54.91 54.34 1wil h ALA 26 Cb 1.20 0.13 0.18 0.00 0.00 0.00 0.00 17.79 19.29 1wil h ALA 26 CO 0.42 -0.77 0.14 -1.21 0.00 0.00 0.00 179.25 177.83 1wil s GLU 27 N -5.54 -0.35 -0.11 0.00 8.01 -1.26 -4.93 118.70 114.53 1wil s GLU 27 Ca -0.09 0.34 -0.29 0.00 0.01 0.00 0.00 54.97 54.94 1wil s GLU 27 Cb 0.29 -1.66 -0.04 0.00 -4.31 0.00 0.00 34.13 28.41 1wil s GLU 27 CO 0.80 -3.22 1.56 -1.12 0.01 0.00 0.00 175.26 173.29 1wil s SER 28 N -3.49 6.67 0.46 -0.19 0.01 -1.26 -4.99 113.70 110.91 1wil s SER 28 Ca 0.67 1.98 -0.19 0.00 1.31 0.00 0.00 55.95 59.72 1wil s SER 28 Cb -0.17 -2.53 -0.10 0.00 0.21 0.00 0.00 66.02 63.43 1wil s SER 28 CO 0.58 -0.96 0.97 -0.22 0.41 0.00 0.00 173.24 174.02 1wil s LEU 29 N 4.16 3.83 0.12 2.44 0.20 -1.26 -5.00 118.68 123.17 1wil s LEU 29 Ca 0.69 1.66 0.03 0.00 0.69 0.00 0.00 54.13 57.19 1wil s LEU 29 Cb -0.29 -4.53 -0.04 0.00 -0.43 0.00 0.00 46.19 40.90 1wil s LEU 29 CO 0.26 -0.46 0.20 -0.36 -0.29 0.00 0.00 176.35 175.70 1wil s PHE 30 N -2.33 3.36 0.31 5.38 0.40 -1.26 -2.54 117.98 121.30 1wil s PHE 30 Ca 0.61 0.11 0.13 0.00 -0.60 0.00 0.00 56.93 57.18 1wil s PHE 30 Cb -0.10 -1.64 0.60 0.00 0.51 0.00 0.00 43.02 42.40 1wil s PHE 30 CO 0.20 0.53 1.74 -1.00 0.70 0.00 0.00 175.22 177.39 1wil h PRO 31 N 2.59 0.00 -1.71 0.24 0.13 -1.93 -3.19 132.00 128.14 1wil h PRO 31 Ca -0.47 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.69 1wil h PRO 31 Cb 1.18 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.09 1wil h PRO 31 CO 0.68 0.46 0.40 0.00 -0.23 0.00 0.00 178.00 179.32 1wil h ARG 33 N 3.35 0.30 -0.61 0.00 -0.00 -1.91 -3.33 114.38 112.18 1wil h ARG 33 Ca -0.24 -0.47 0.18 0.00 -0.00 0.00 0.00 59.98 59.45 1wil h ARG 33 Cb 1.16 0.17 -0.11 0.00 -0.00 0.00 0.00 29.97 31.19 1wil h ARG 33 CO 0.24 1.21 0.06 1.55 -0.00 0.00 0.00 179.97 183.03 1wil n VAL 34 N -3.57 -0.26 -2.73 0.08 3.14 -1.26 -3.86 118.33 109.87 1wil n VAL 34 Ca -0.08 1.32 -0.43 0.00 -2.96 0.00 0.00 64.34 62.19 1wil n VAL 34 Cb 1.00 -1.97 -0.03 0.00 -1.06 0.00 0.00 33.84 31.78 1wil n VAL 34 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1wil n THR 36 N 5.17 -0.46 -2.38 0.00 -1.04 -1.25 -4.26 114.28 110.06 1wil n THR 36 Ca 0.10 1.73 -0.39 0.00 -2.04 0.00 0.00 64.05 63.45 1wil n THR 36 Cb 0.47 -2.18 -0.03 0.00 -1.82 0.00 0.00 70.33 66.77 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 -5.45 4.34 0.00 -2.82 3.52 -1.26 -4.14 118.95 113.15 1wil s ARG 37 Ca -0.09 1.82 0.05 0.00 -0.13 0.00 0.00 55.73 57.38 1wil s ARG 37 Cb 0.10 -2.91 -0.01 0.00 -1.56 0.00 0.00 34.95 30.57 1wil s ARG 37 CO 0.47 -0.06 -0.15 0.14 -0.81 0.00 0.00 175.30 174.89 1wil s VAL 38 N -1.32 1.15 -0.19 7.11 -7.23 -1.26 -4.93 120.40 113.72 1wil s VAL 38 Ca 0.51 -0.71 -0.06 0.00 -1.81 0.00 0.00 61.98 59.92 1wil s VAL 38 Cb -0.31 -0.98 0.09 0.00 0.56 0.00 0.00 36.38 35.75 1wil s VAL 38 CO 0.40 0.26 0.38 0.72 -0.31 0.00 0.00 175.10 176.54 1wil s PHE 39 N -0.45 -0.73 -0.31 2.82 -0.12 -1.21 -3.50 117.98 114.49 1wil s PHE 39 Ca 0.05 1.26 -0.28 0.00 -0.05 0.00 0.00 56.93 57.91 1wil s PHE 39 Cb -0.06 0.17 -0.06 0.00 -0.63 0.00 0.00 43.02 42.44 1wil s PHE 39 CO -0.00 -0.51 2.29 0.72 -0.05 0.00 0.00 175.22 177.67 1wil n HIS 40 N 5.38 1.78 -0.42 3.49 8.25 -1.22 -3.13 115.22 129.34 1wil n HIS 40 Ca -0.07 -0.04 0.37 0.00 -0.26 0.00 0.00 57.72 57.71 1wil n HIS 40 Cb 0.50 -2.70 0.63 0.00 1.12 0.00 0.00 29.99 29.54 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 13.08 0.23 -0.08 0.41 8.00 -1.26 0.11 116.55 137.04 1wil n ASP 41 Ca 0.33 1.38 -0.11 0.00 0.71 0.00 0.00 54.79 57.10 1wil n ASP 41 Cb 0.48 -0.68 -0.04 0.00 -0.02 0.00 0.00 41.12 40.86 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 0.43 0.42 0.44 0.00 -1.96 -1.82 103.07 100.58 1wil h GLY 42 Ca 0.83 -0.27 0.09 0.00 0.00 0.00 0.00 47.33 47.98 1wil h GLY 42 CO -0.51 0.25 0.22 0.00 0.00 0.00 0.00 176.54 176.51 1wil h LEU 44 N 0.41 -0.59 -1.39 0.00 3.38 -1.40 -1.95 115.31 113.78 1wil h LEU 44 Ca 0.30 0.02 0.23 0.00 0.09 0.00 0.00 57.88 58.52 1wil h LEU 44 Cb 0.35 0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.17 1wil h LEU 44 CO -0.29 -0.35 0.64 0.08 0.09 0.00 0.00 178.44 178.60 1wil h ARG 45 N -0.83 0.43 0.46 1.13 0.11 -1.22 0.26 114.38 114.72 1wil h ARG 45 Ca -0.07 -0.03 -0.02 0.00 0.10 0.00 0.00 59.98 59.96 1wil h ARG 45 Cb 0.53 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 31.52 1wil h ARG 45 CO 0.12 0.29 -0.22 -0.09 0.10 0.00 0.00 179.97 180.16 1wil h ARG 46 N 0.45 -0.60 -0.16 0.08 1.12 -0.25 -3.27 114.38 111.75 1wil h ARG 46 Ca 0.54 0.04 0.03 0.00 -1.11 0.00 0.00 59.98 59.48 1wil h ARG 46 Cb 1.29 0.14 -0.03 0.00 -0.01 0.00 0.00 29.97 31.36 1wil h ARG 46 CO -0.25 -0.40 -0.02 0.52 -3.11 0.00 0.00 179.97 176.71 1wil h MET 47 N -0.66 0.03 0.00 0.20 2.86 -0.85 -3.47 114.93 113.04 1wil h MET 47 Ca -0.06 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1wil h MET 47 Cb 0.48 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.13 1wil h MET 47 CO 0.10 0.02 0.00 0.41 1.06 0.00 0.00 176.91 178.51 1wil n GLY 48 N -1.17 0.64 0.14 8.32 0.00 0.79 -5.06 105.19 108.84 1wil n GLY 48 Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 1wil n GLY 48 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1wil h TYR 49 N 0.00 0.47 -0.04 1.61 0.05 -1.50 -3.40 116.97 114.16 1wil h TYR 49 Ca 0.00 -0.34 0.01 0.00 0.05 0.00 0.00 58.73 58.45 1wil h TYR 49 Cb 0.00 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 37.69 1wil h TYR 49 CO 0.00 1.74 -0.30 0.82 -1.05 0.00 0.00 178.16 179.37 1wil h ILE 50 N -0.04 0.00 -4.91 -2.88 1.08 -1.89 -3.46 117.51 105.41 1wil h ILE 50 Ca -0.40 0.00 -0.52 0.00 -0.39 0.00 0.00 64.86 63.55 1wil h ILE 50 Cb 1.97 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 35.59 1wil h ILE 50 CO 0.07 0.00 -0.47 0.00 -0.69 0.00 0.00 178.15 177.06 1wil n GLN 51 N -4.15 0.48 -4.58 2.37 1.13 -1.26 -5.09 117.38 106.28 1wil n GLN 51 Ca -0.04 -3.43 -0.23 0.00 -1.94 0.00 0.00 57.00 51.36 1wil n GLN 51 Cb 0.22 2.38 -0.16 0.00 0.11 0.00 0.00 30.24 32.79 1wil n GLN 51 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1wil s GLY 52 N -3.44 0.68 -1.59 1.08 0.00 -1.26 -4.80 107.32 97.99 1wil s GLY 52 Ca 0.32 -0.50 -0.10 0.00 0.00 0.00 0.00 44.72 44.43 1wil s GLY 52 CO 0.22 -0.26 0.57 1.34 0.00 0.00 0.00 173.10 174.98 1wil n ASP 53 N 3.13 -1.76 -3.77 1.64 -0.08 -1.26 -4.92 116.55 109.53 1wil n ASP 53 Ca -0.17 -1.05 -0.09 0.00 -1.51 0.00 0.00 54.79 51.97 1wil n ASP 53 Cb 0.54 -2.70 -0.03 0.00 2.34 0.00 0.00 41.12 41.27 1wil n ASP 53 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1wil s SER 54 N -3.78 -0.26 0.29 1.67 1.04 -1.26 -5.19 113.70 106.21 1wil s SER 54 Ca 0.41 -0.52 0.05 0.00 0.48 0.00 0.00 55.95 56.37 1wil s SER 54 Cb -0.23 0.61 -0.03 0.00 0.10 0.00 0.00 66.02 66.47 1wil s SER 54 CO 0.93 -1.11 0.24 0.00 0.98 0.00 0.00 173.24 174.28 1wil s ALA 55 N -3.89 1.65 -0.28 5.32 0.00 -1.26 -4.95 121.76 118.35 1wil s ALA 55 Ca 0.10 -1.96 -0.20 0.00 0.00 0.00 0.00 51.96 49.90 1wil s ALA 55 Cb -0.02 1.45 0.13 0.00 0.00 0.00 0.00 23.12 24.68 1wil s ALA 55 CO -0.00 -0.65 0.96 0.00 0.00 0.00 0.00 175.76 176.07 1wil s ALA 56 N -3.64 -2.10 -0.69 0.00 0.00 -1.26 -5.11 121.76 108.97 1wil s ALA 56 Ca 0.40 2.10 0.05 0.00 0.00 0.00 0.00 51.96 54.50 1wil s ALA 56 Cb 0.04 -1.56 0.17 0.00 0.00 0.00 0.00 23.12 21.76 1wil s ALA 56 CO 0.23 -0.31 0.48 -1.83 0.00 0.00 0.00 175.76 174.33 1wil s GLU 57 N 0.91 2.43 0.33 0.00 -1.05 -1.26 -5.08 118.70 114.99 1wil s GLU 57 Ca -0.04 -3.27 0.09 0.00 -0.15 0.00 0.00 54.97 51.60 1wil s GLU 57 Cb -0.04 -3.43 -0.06 0.00 -0.44 0.00 0.00 34.13 30.16 1wil s GLU 57 CO -0.12 -1.27 -0.05 0.14 0.95 0.00 0.00 175.26 174.92 1wil s VAL 58 N -1.33 2.48 0.70 1.83 -7.23 -1.26 -5.12 120.40 110.46 1wil s VAL 58 Ca 0.24 -2.10 -0.15 0.00 -1.81 0.00 0.00 61.98 58.15 1wil s VAL 58 Cb -0.07 -2.69 0.02 0.00 0.56 0.00 0.00 36.38 34.20 1wil s VAL 58 CO -0.15 -0.22 1.18 0.28 -0.31 0.00 0.00 175.10 175.88 1wil s THR 59 N -2.55 2.62 -0.58 5.32 -1.32 -1.26 -4.95 115.64 112.92 1wil s THR 59 Ca 0.33 0.31 -0.23 0.00 -1.21 0.00 0.00 61.69 60.89 1wil s THR 59 Cb 0.00 -2.87 0.05 0.00 -1.51 0.00 0.00 72.50 68.18 1wil s THR 59 CO 0.18 -0.16 0.92 -1.61 -2.21 0.00 0.00 174.62 171.74 1wil s GLU 60 N -3.92 3.24 -0.26 7.08 0.41 -1.26 -4.96 118.70 119.03 1wil s GLU 60 Ca 0.72 -0.50 -0.02 0.00 -0.41 0.00 0.00 54.97 54.76 1wil s GLU 60 Cb -0.26 -4.11 0.14 0.00 -1.78 0.00 0.00 34.13 28.11 1wil s GLU 60 CO 0.43 -1.57 0.39 -1.64 -0.49 0.00 0.00 175.26 172.37 1wil s MET 61 N 3.88 0.37 -0.07 1.61 -1.94 -1.26 -5.04 119.30 116.85 1wil s MET 61 Ca 0.26 0.43 -0.10 0.00 -1.71 0.00 0.00 55.69 54.58 1wil s MET 61 Cb -0.14 -0.42 -0.03 0.00 2.01 0.00 0.00 34.83 36.24 1wil s MET 61 CO 0.16 -0.74 -0.19 0.00 -0.01 0.00 0.00 175.02 174.23 1wil n ALA 62 N 5.36 1.60 0.01 3.03 0.00 -1.26 -3.73 120.51 125.53 1wil n ALA 62 Ca -0.03 -0.47 -0.18 0.00 0.00 0.00 0.00 53.44 52.76 1wil n ALA 62 Cb 0.50 0.10 -0.11 0.00 0.00 0.00 0.00 19.45 19.94 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 -0.55 0.75 -3.05 0.00 3.86 -1.86 -2.42 115.15 111.88 1wil h HIS 63 Ca 0.00 -0.40 -0.55 0.00 -1.16 0.00 0.00 60.37 58.26 1wil h HIS 63 Cb 0.55 -0.09 0.08 0.00 1.06 0.00 0.00 27.41 29.01 1wil h HIS 63 CO -0.24 1.22 0.79 2.41 0.86 0.00 0.00 177.93 182.97 1wil n THR 64 N -4.11 0.98 -4.47 2.45 -1.04 -1.26 -2.04 114.28 104.79 1wil n THR 64 Ca -0.10 -0.24 -0.40 0.00 -2.04 0.00 0.00 64.05 61.26 1wil n THR 64 Cb 0.73 -1.79 -0.08 0.00 -1.82 0.00 0.00 70.33 67.37 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 2.14 -1.01 -3.91 -2.82 4.07 -1.26 -0.20 120.64 117.65 1wil n GLU 65 Ca 0.10 0.16 -0.31 0.00 -0.06 0.00 0.00 57.16 57.05 1wil n GLU 65 Cb 0.35 -4.57 -0.07 0.00 -0.06 0.00 0.00 31.44 27.09 1wil n GLU 65 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1wil n THR 66 N -4.18 -0.27 -0.14 6.31 -2.24 -0.86 -4.77 114.28 108.12 1wil n THR 66 Ca 0.04 -0.14 -0.04 0.00 -2.27 0.00 0.00 64.05 61.64 1wil n THR 66 Cb 0.50 -0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 68.17 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 -1.39 -2.41 3.21 3.38 0.00 0.72 -4.52 105.19 104.17 1wil n GLY 67 Ca -0.03 0.69 -0.23 0.00 0.00 0.00 0.00 46.02 46.45 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 -3.98 1.58 -0.10 1.61 0.52 -1.18 -4.99 118.94 112.40 1wil s TRP 68 Ca -0.04 -0.37 0.00 0.00 0.02 0.00 0.00 56.10 55.71 1wil s TRP 68 Cb 0.04 -0.94 0.02 0.00 -1.15 0.00 0.00 33.47 31.44 1wil s TRP 68 CO 0.21 0.07 -0.08 0.45 0.02 0.00 0.00 176.95 177.62 1wil s SER 69 N -1.19 2.06 0.23 2.95 0.15 -1.26 -4.78 113.70 111.86 1wil s SER 69 Ca 0.05 -0.29 -0.29 0.00 0.70 0.00 0.00 55.95 56.12 1wil s SER 69 Cb -0.08 -0.82 -0.16 0.00 -1.71 0.00 0.00 66.02 63.25 1wil s SER 69 CO 0.02 -0.09 0.84 0.00 1.20 0.00 0.00 173.24 175.20 1wil h HIS 71 N 1.82 0.12 -0.90 0.00 2.76 -2.05 0.65 115.15 117.55 1wil h HIS 71 Ca -0.36 0.01 -0.48 0.00 -2.20 0.00 0.00 60.37 57.34 1wil h HIS 71 Cb 1.38 -0.03 -0.42 0.00 1.55 0.00 0.00 27.41 29.90 1wil h HIS 71 CO 0.47 -0.06 -0.90 2.48 -1.30 0.00 0.00 177.93 178.62 1wil n TYR 72 N -4.14 2.46 -3.29 5.26 4.11 -1.26 -5.07 117.16 115.22 1wil n TYR 72 Ca 0.42 -2.48 -0.32 0.00 -0.00 0.00 0.00 57.90 55.52 1wil n TYR 72 Cb 1.83 -0.26 -0.06 0.00 -0.00 0.00 0.00 39.34 40.85 1wil n TYR 72 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1wil n ASP 74 N -0.23 2.35 -3.92 0.00 8.00 -1.26 -4.91 116.55 116.58 1wil n ASP 74 Ca 0.02 -0.19 -0.11 0.00 0.71 0.00 0.00 54.79 55.22 1wil n ASP 74 Cb 0.53 -1.49 -0.13 0.00 -0.02 0.00 0.00 41.12 40.01 1wil n ASP 74 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1wil s ASN 75 N 10.52 0.12 0.58 -2.24 3.84 -1.26 -5.11 114.94 121.39 1wil s ASN 75 Ca 1.03 -0.19 0.01 0.00 0.21 0.00 0.00 52.86 53.92 1wil s ASN 75 Cb -0.38 0.04 0.05 0.00 -0.55 0.00 0.00 41.25 40.41 1wil s ASN 75 CO 0.33 -0.11 0.81 0.27 -2.79 0.00 0.00 177.10 175.61 1wil s ILE 76 N -0.56 2.57 -0.67 -5.21 -0.00 -1.26 -5.01 121.20 111.06 1wil s ILE 76 Ca -0.06 -0.66 -0.27 0.00 -0.00 0.00 0.00 60.65 59.66 1wil s ILE 76 Cb -0.04 -2.91 0.01 0.00 -0.00 0.00 0.00 42.46 39.52 1wil s ILE 76 CO -0.00 0.00 1.46 0.21 -0.00 0.00 0.00 174.94 176.60 1wil s ASN 77 N -4.48 5.93 0.49 4.36 3.84 -1.26 -4.99 114.94 118.83 1wil s ASN 77 Ca 0.59 -0.08 0.08 0.00 0.21 0.00 0.00 52.86 53.67 1wil s ASN 77 Cb -0.09 -2.55 0.04 0.00 -0.55 0.00 0.00 41.25 38.10 1wil s ASN 77 CO 0.39 -1.94 0.63 -1.48 -2.79 0.00 0.00 177.10 171.91 1wil s LEU 78 N 6.66 3.33 -0.03 3.21 2.34 -1.26 -5.04 118.68 127.89 1wil s LEU 78 Ca 0.47 -0.69 -0.30 0.00 0.06 0.00 0.00 54.13 53.67 1wil s LEU 78 Cb -0.10 -2.06 -0.06 0.00 -0.56 0.00 0.00 46.19 43.41 1wil s LEU 78 CO 0.19 -1.02 1.72 -0.76 -1.06 0.00 0.00 176.35 175.42 1wil s LEU 79 N -4.45 4.35 0.05 1.48 1.02 -1.26 -4.99 118.68 114.88 1wil s LEU 79 Ca 0.56 2.34 0.03 0.00 0.02 0.00 0.00 54.13 57.08 1wil s LEU 79 Cb -0.07 -3.54 -0.03 0.00 0.02 0.00 0.00 46.19 42.58 1wil s LEU 79 CO 0.34 -0.95 -0.09 -1.48 0.02 0.00 0.00 176.35 174.20 1wil s LEU 80 N 4.01 2.29 0.08 1.79 0.05 -1.26 -5.16 118.68 120.48 1wil s LEU 80 Ca 0.76 -0.61 -0.02 0.00 0.05 0.00 0.00 54.13 54.32 1wil s LEU 80 Cb -0.36 -0.22 -0.04 0.00 -2.05 0.00 0.00 46.19 43.52 1wil s LEU 80 CO 0.32 -0.21 0.26 -0.89 -0.55 0.00 0.00 176.35 175.28 1wil s THR 81 N -1.58 5.32 -0.96 5.48 2.01 -1.26 -5.03 115.64 119.62 1wil s THR 81 Ca -0.06 -0.25 -0.24 0.00 0.31 0.00 0.00 61.69 61.45 1wil s THR 81 Cb -0.09 -3.62 0.05 0.00 0.01 0.00 0.00 72.50 68.85 1wil s THR 81 CO 0.00 0.12 1.40 -1.61 -0.69 0.00 0.00 174.62 173.84 1wil s GLU 82 N -2.52 3.51 0.19 4.92 2.02 -1.26 -4.94 118.70 120.62 1wil s GLU 82 Ca 0.36 -0.97 -0.01 0.00 0.02 0.00 0.00 54.97 54.37 1wil s GLU 82 Cb -0.13 -5.11 -0.04 0.00 0.10 0.00 0.00 34.13 28.96 1wil s GLU 82 CO 0.26 -2.18 0.12 -1.83 0.02 0.00 0.00 175.26 171.66 1wil s GLU 83 N 5.04 1.17 0.21 1.61 -1.05 -1.26 -5.12 118.70 119.30 1wil s GLU 83 Ca 0.43 -1.61 -0.24 0.00 -0.15 0.00 0.00 54.97 53.40 1wil s GLU 83 Cb -0.02 0.25 -0.15 0.00 -0.44 0.00 0.00 34.13 33.77 1wil s GLU 83 CO -0.05 -0.37 0.40 0.43 0.95 0.00 0.00 175.26 176.62 1wil n SER 84 N -0.25 -1.37 0.00 0.83 7.64 -1.26 -4.88 113.62 114.33 1wil n SER 84 Ca 0.01 0.96 0.00 0.00 1.01 0.00 0.00 58.87 60.85 1wil n SER 84 Cb 0.66 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 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 1.84 0.90 3.77 0.23 0.00 -1.26 -5.16 105.19 105.52 1wil n GLY 85 Ca 0.15 0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.94 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 2.71 0.73 1.61 0.04 -1.26 -5.06 135.00 133.77 1wil s PRO 86 Ca 0.00 1.35 -0.04 0.00 0.04 0.00 0.00 61.00 62.35 1wil s PRO 86 Cb 0.00 -1.94 0.11 0.00 0.04 0.00 0.00 34.50 32.71 1wil s PRO 86 CO 0.00 -1.31 1.01 -1.54 0.04 0.00 0.00 177.00 175.20 1wil s SER 87 N -2.72 4.41 -0.22 6.66 1.04 -1.26 -5.08 113.70 116.53 1wil s SER 87 Ca 0.66 -0.04 -0.02 0.00 0.48 0.00 0.00 55.95 57.02 1wil s SER 87 Cb -0.20 -0.43 0.01 0.00 0.10 0.00 0.00 66.02 65.50 1wil s SER 87 CO 0.44 -1.82 -0.07 -0.55 0.98 0.00 0.00 173.24 172.22 1wil s SER 88 N -4.66 4.12 0.00 7.02 0.15 -1.26 -5.34 113.70 113.72 1wil s SER 88 Ca 0.65 -0.58 0.08 0.00 0.70 0.00 0.00 55.95 56.80 1wil s SER 88 Cb -0.07 -1.68 0.46 0.00 -1.71 0.00 0.00 66.02 63.02 1wil s SER 88 CO 0.45 -0.05 0.91 0.61 1.20 0.00 0.00 173.24 176.36