#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 3.30 -0.20 1.61 1.04 -1.26 -5.11 113.70 113.08 1wil s SER 2 Ca 0.00 -0.94 -0.03 0.00 0.48 0.00 0.00 55.95 55.47 1wil s SER 2 Cb 0.00 -0.92 -0.00 0.00 0.10 0.00 0.00 66.02 65.19 1wil s SER 2 CO 0.00 -0.25 -0.08 -0.44 0.98 0.00 0.00 173.24 173.46 1wil s SER 3 N 1.60 4.08 0.00 7.02 0.01 -1.26 -4.76 113.70 120.40 1wil s SER 3 Ca -0.03 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.81 1wil s SER 3 Cb -0.17 -1.68 0.00 0.00 0.21 0.00 0.00 66.02 64.37 1wil s SER 3 CO -0.07 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.19 1wil n GLY 4 N 4.62 0.68 2.20 3.44 0.00 -1.26 -5.06 105.19 109.80 1wil n GLY 4 Ca -0.19 -0.43 -0.20 0.00 0.00 0.00 0.00 46.02 45.21 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 0.00 4.28 -4.02 1.61 3.41 -1.26 -4.99 113.62 112.65 1wil n SER 5 Ca 0.00 -3.43 -0.31 0.00 -0.26 0.00 0.00 58.87 54.87 1wil n SER 5 Cb 0.00 -0.37 -0.16 0.00 -0.26 0.00 0.00 64.21 63.42 1wil n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wil s SER 6 N -3.63 3.73 -0.13 4.04 0.01 -1.26 -4.92 113.70 111.54 1wil s SER 6 Ca 0.46 -1.05 -0.06 0.00 1.31 0.00 0.00 55.95 56.61 1wil s SER 6 Cb 0.39 -1.33 0.01 0.00 0.21 0.00 0.00 66.02 65.30 1wil s SER 6 CO 0.01 -0.16 0.12 0.61 0.41 0.00 0.00 173.24 174.24 1wil n GLY 7 N 4.61 -0.71 0.00 3.44 0.00 -1.26 -4.76 105.19 106.51 1wil n GLY 7 Ca -0.15 0.29 0.07 0.00 0.00 0.00 0.00 46.02 46.24 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 0.92 0.49 -3.58 1.61 -0.04 -1.26 -4.17 135.00 128.97 1wil n PRO 8 Ca -0.01 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.07 1wil n PRO 8 Cb 0.45 -1.47 -0.05 0.00 -0.04 0.00 0.00 33.50 32.39 1wil n PRO 8 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1wil s ARG 9 N -2.00 3.38 -0.07 0.54 6.06 -1.26 -5.01 118.95 120.59 1wil s ARG 9 Ca 0.22 -3.16 -0.03 0.00 -2.50 0.00 0.00 55.73 50.26 1wil s ARG 9 Cb 0.10 -4.06 0.04 0.00 0.06 0.00 0.00 34.95 31.10 1wil s ARG 9 CO 0.17 -1.25 0.15 -1.83 -2.50 0.00 0.00 175.30 170.04 1wil s GLU 10 N -1.14 0.06 0.97 5.12 -1.05 -1.26 -5.16 118.70 116.24 1wil s GLU 10 Ca 0.26 0.47 -0.16 0.00 -0.15 0.00 0.00 54.97 55.39 1wil s GLU 10 Cb -0.09 -0.23 0.24 0.00 -0.44 0.00 0.00 34.13 33.61 1wil s GLU 10 CO -0.11 -0.24 0.86 -0.35 0.95 0.00 0.00 175.26 176.38 1wil n PRO 11 N 4.78 -2.70 -3.78 -4.83 -0.04 -1.26 -5.09 135.00 122.07 1wil n PRO 11 Ca -0.15 -1.38 -0.13 0.00 -0.04 0.00 0.00 63.50 61.80 1wil n PRO 11 Cb 0.51 -1.29 -0.12 0.00 -0.04 0.00 0.00 33.50 32.55 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 -2.56 -0.01 -0.07 0.52 1.01 -1.26 -5.16 120.40 112.87 1wil s VAL 12 Ca 0.56 0.04 -0.09 0.00 0.00 0.00 0.00 61.98 62.49 1wil s VAL 12 Cb -0.06 -0.30 0.02 0.00 0.00 0.00 0.00 36.38 36.04 1wil s VAL 12 CO 0.43 0.02 0.23 0.68 0.00 0.00 0.00 175.10 176.46 1wil s VAL 13 N 0.39 0.02 -0.07 2.92 -7.23 -1.26 -5.16 120.40 110.01 1wil s VAL 13 Ca -0.02 -0.14 -0.04 0.00 -1.81 0.00 0.00 61.98 59.96 1wil s VAL 13 Cb -0.04 -0.38 0.03 0.00 0.56 0.00 0.00 36.38 36.55 1wil s VAL 13 CO -0.02 -0.08 0.17 0.54 -0.31 0.00 0.00 175.10 175.41 1wil s ASN 14 N -0.23 -0.16 0.10 4.85 2.20 -1.26 -5.05 114.94 115.40 1wil s ASN 14 Ca -0.03 0.36 0.00 0.00 -0.94 0.00 0.00 52.86 52.24 1wil s ASN 14 Cb -0.03 0.28 0.00 0.00 -2.00 0.00 0.00 41.25 39.51 1wil s ASN 14 CO 0.01 -0.12 0.00 0.47 -2.94 0.00 0.00 177.10 174.52 1wil n ASP 15 N 3.81 0.27 -3.76 3.54 9.92 -1.26 -5.03 116.55 124.04 1wil n ASP 15 Ca -0.22 0.17 -0.30 0.00 -0.53 0.00 0.00 54.79 53.92 1wil n ASP 15 Cb 0.54 0.01 -0.15 0.00 -0.64 0.00 0.00 41.12 40.88 1wil n ASP 15 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1wil s GLU 16 N -2.00 0.80 -0.22 -1.24 2.02 -1.26 -5.08 118.70 111.73 1wil s GLU 16 Ca 0.00 -1.01 -0.06 0.00 0.02 0.00 0.00 54.97 53.93 1wil s GLU 16 Cb 0.00 -2.10 -0.03 0.00 0.10 0.00 0.00 34.13 32.11 1wil s GLU 16 CO 0.00 -0.91 0.03 -1.64 0.02 0.00 0.00 175.26 172.76 1wil s MET 17 N 1.61 3.64 0.46 1.61 -1.94 -1.26 -3.69 119.30 119.72 1wil s MET 17 Ca 0.07 -0.50 -0.21 0.00 -1.71 0.00 0.00 55.69 53.34 1wil s MET 17 Cb -0.17 -3.17 -0.12 0.00 2.01 0.00 0.00 34.83 33.38 1wil s MET 17 CO -0.21 -0.05 0.44 0.00 -0.01 0.00 0.00 175.02 175.19 1wil n ASP 19 N 1.33 0.00 0.00 0.00 -0.08 -1.07 0.79 116.55 117.52 1wil n ASP 19 Ca 0.11 -0.90 0.00 0.00 -1.51 0.00 0.00 54.79 52.49 1wil n ASP 19 Cb 0.42 -0.03 0.00 0.00 2.34 0.00 0.00 41.12 43.85 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 -1.03 0.00 0.00 5.18 0.31 -1.26 -4.83 118.33 116.70 1wil n VAL 20 Ca 0.23 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.56 1wil n VAL 20 Cb 0.13 0.15 0.00 0.00 -0.91 0.00 0.00 33.84 33.20 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 -1.51 -5.98 -4.04 0.00 1.02 0.24 -4.79 120.64 105.58 1wil n GLU 22 Ca 0.00 0.84 -0.09 0.00 -0.02 0.00 0.00 57.16 57.89 1wil n GLU 22 Cb 0.14 -5.77 -0.11 0.00 -0.02 0.00 0.00 31.44 25.68 1wil n GLU 22 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1wil s VAL 23 N -3.23 0.28 0.43 2.62 1.01 -1.26 -4.48 120.40 115.78 1wil s VAL 23 Ca 0.43 -1.29 0.01 0.00 0.00 0.00 0.00 61.98 61.12 1wil s VAL 23 Cb -0.19 -0.81 0.01 0.00 0.00 0.00 0.00 36.38 35.38 1wil s VAL 23 CO 0.53 -0.65 0.04 -2.67 0.00 0.00 0.00 175.10 172.35 1wil n TRP 24 N 1.00 0.78 -3.68 5.22 4.27 -1.24 -2.71 117.44 121.08 1wil n TRP 24 Ca -0.20 -2.09 -0.15 0.00 -3.89 0.00 0.00 57.50 51.17 1wil n TRP 24 Cb 0.57 -0.29 -0.08 0.00 -1.36 0.00 0.00 31.31 30.15 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 -2.51 0.02 0.27 -1.67 -4.23 -1.26 -5.04 115.64 101.21 1wil s THR 25 Ca 0.03 -0.19 -0.00 0.00 -1.18 0.00 0.00 61.69 60.35 1wil s THR 25 Cb -0.00 -0.73 0.25 0.00 1.34 0.00 0.00 72.50 73.35 1wil s THR 25 CO 0.02 -0.11 1.78 0.00 -0.54 0.00 0.00 174.62 175.77 1wil h ALA 26 N 4.15 1.34 -2.10 3.99 0.00 -2.03 -3.43 119.26 121.19 1wil h ALA 26 Ca -0.28 0.07 -0.42 0.00 0.00 0.00 0.00 54.91 54.27 1wil h ALA 26 Cb 1.17 -0.06 0.18 0.00 0.00 0.00 0.00 17.79 19.08 1wil h ALA 26 CO 0.33 -0.03 0.16 -1.21 0.00 0.00 0.00 179.25 178.50 1wil s GLU 27 N -5.96 -0.77 0.20 0.00 8.01 -1.26 -4.93 118.70 113.99 1wil s GLU 27 Ca -0.12 0.04 -0.32 0.00 0.01 0.00 0.00 54.97 54.58 1wil s GLU 27 Cb 0.22 -1.64 -0.12 0.00 -4.31 0.00 0.00 34.13 28.28 1wil s GLU 27 CO 0.79 -3.43 1.72 -1.13 0.01 0.00 0.00 175.26 173.21 1wil n SER 28 N -4.58 3.93 -4.71 -0.19 3.41 -1.26 -4.97 113.62 105.24 1wil n SER 28 Ca 0.11 1.06 -0.36 0.00 -0.26 0.00 0.00 58.87 59.43 1wil n SER 28 Cb 0.59 -1.56 -0.08 0.00 -0.26 0.00 0.00 64.21 62.90 1wil n SER 28 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1wil s LEU 29 N 1.19 4.19 0.45 1.04 0.20 -1.26 -4.87 118.68 119.61 1wil s LEU 29 Ca 0.76 0.28 -0.16 0.00 0.69 0.00 0.00 54.13 55.70 1wil s LEU 29 Cb -0.52 -2.18 -0.08 0.00 -0.43 0.00 0.00 46.19 42.98 1wil s LEU 29 CO 0.33 0.12 0.89 -0.36 -0.29 0.00 0.00 176.35 177.04 1wil s PHE 30 N 0.61 3.42 -0.02 5.38 0.08 -1.26 -3.11 117.98 123.08 1wil s PHE 30 Ca 0.10 1.35 -0.25 0.00 0.12 0.00 0.00 56.93 58.26 1wil s PHE 30 Cb -0.12 -2.68 -0.19 0.00 -0.57 0.00 0.00 43.02 39.46 1wil s PHE 30 CO 0.01 -0.19 1.20 -1.00 -0.10 0.00 0.00 175.22 175.14 1wil h PRO 31 N 1.37 -0.10 0.00 0.24 0.13 -1.68 -1.67 132.00 130.30 1wil h PRO 31 Ca -0.47 0.01 -0.26 0.00 -0.87 0.00 0.00 66.00 64.40 1wil h PRO 31 Cb 1.18 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 1wil h PRO 31 CO 0.62 0.36 -0.23 0.00 -0.23 0.00 0.00 178.00 178.52 1wil n ARG 33 N -0.39 0.36 -0.25 0.00 3.00 -1.26 -4.59 116.66 113.54 1wil n ARG 33 Ca 0.00 0.15 0.25 0.00 -0.00 0.00 0.00 57.85 58.26 1wil n ARG 33 Cb 0.30 -1.12 0.46 0.00 0.00 0.00 0.00 32.46 32.10 1wil n ARG 33 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 1wil n VAL 34 N -3.97 -0.33 -2.54 5.15 0.24 -1.26 -3.80 118.33 111.83 1wil n VAL 34 Ca -0.22 1.58 -0.43 0.00 -2.04 0.00 0.00 64.34 63.23 1wil n VAL 34 Cb 0.54 -2.57 -0.02 0.00 -1.47 0.00 0.00 33.84 30.33 1wil n VAL 34 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wil h THR 36 N 6.29 0.09 -2.66 0.00 2.02 -1.93 -3.34 112.91 113.37 1wil h THR 36 Ca -0.24 -0.02 -0.55 0.00 0.77 0.00 0.00 66.41 66.37 1wil h THR 36 Cb 1.07 0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 1wil h THR 36 CO 1.12 0.01 1.22 -0.60 0.37 0.00 0.00 175.52 177.64 1wil s ARG 37 N -5.93 3.21 -0.13 6.66 3.52 -1.26 -4.87 118.95 120.16 1wil s ARG 37 Ca -0.12 0.95 -0.04 0.00 -0.13 0.00 0.00 55.73 56.38 1wil s ARG 37 Cb 0.29 -4.19 -0.04 0.00 -1.56 0.00 0.00 34.95 29.45 1wil s ARG 37 CO 0.78 -2.02 0.03 0.14 -0.81 0.00 0.00 175.30 173.42 1wil s VAL 38 N 6.95 4.55 -0.18 7.11 -7.23 -1.26 -4.83 120.40 125.51 1wil s VAL 38 Ca 0.68 -0.14 -0.07 0.00 -1.81 0.00 0.00 61.98 60.63 1wil s VAL 38 Cb -0.16 -2.97 0.08 0.00 0.56 0.00 0.00 36.38 33.89 1wil s VAL 38 CO 0.29 0.55 0.40 0.72 -0.31 0.00 0.00 175.10 176.75 1wil s PHE 39 N -0.38 -0.70 0.40 2.82 -0.71 -0.64 -2.59 117.98 116.18 1wil s PHE 39 Ca 0.08 1.40 -0.27 0.00 -1.04 0.00 0.00 56.93 57.10 1wil s PHE 39 Cb -0.12 0.26 -0.10 0.00 -1.21 0.00 0.00 43.02 41.84 1wil s PHE 39 CO 0.02 -0.43 1.37 0.72 -1.34 0.00 0.00 175.22 175.56 1wil n HIS 40 N 5.08 2.53 0.05 3.49 8.25 -1.15 -1.80 115.22 131.67 1wil n HIS 40 Ca -0.12 0.48 -0.12 0.00 -0.26 0.00 0.00 57.72 57.70 1wil n HIS 40 Cb 0.51 -2.45 -0.07 0.00 1.12 0.00 0.00 29.99 29.11 1wil n HIS 40 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 1wil h ASP 41 N 2.46 -0.07 -0.07 0.41 3.32 -1.99 -1.73 116.42 118.76 1wil h ASP 41 Ca -0.49 0.01 0.02 0.00 0.02 0.00 0.00 57.03 56.59 1wil h ASP 41 Cb 1.27 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.84 1wil h ASP 41 CO 0.62 -0.04 0.22 1.23 -1.72 0.00 0.00 179.24 179.55 1wil h GLY 42 N -0.06 0.00 1.37 2.75 0.00 -1.99 -0.18 103.07 104.96 1wil h GLY 42 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 1wil h GLY 42 CO -0.01 0.00 -1.31 0.00 0.00 0.00 0.00 176.54 175.22 1wil h LEU 44 N 0.18 0.62 -0.90 0.00 3.38 -0.76 -1.46 115.31 116.36 1wil h LEU 44 Ca -0.19 -0.41 -0.09 0.00 0.09 0.00 0.00 57.88 57.27 1wil h LEU 44 Cb 2.00 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.56 1wil h LEU 44 CO 0.24 0.90 -0.20 0.08 0.09 0.00 0.00 178.44 179.55 1wil h ARG 45 N 0.35 0.58 0.33 1.13 0.11 -1.51 0.45 114.38 115.83 1wil h ARG 45 Ca 0.06 -0.21 -0.02 0.00 0.10 0.00 0.00 59.98 59.92 1wil h ARG 45 Cb 0.67 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.71 1wil h ARG 45 CO 0.04 0.75 -0.16 -0.09 0.10 0.00 0.00 179.97 180.61 1wil h ARG 46 N 0.52 -0.43 -0.55 0.08 1.12 -1.38 -3.27 114.38 110.47 1wil h ARG 46 Ca 0.08 0.03 -0.11 0.00 -1.11 0.00 0.00 59.98 58.87 1wil h ARG 46 Cb 0.63 0.10 -0.02 0.00 -0.01 0.00 0.00 29.97 30.67 1wil h ARG 46 CO 0.04 -0.10 -0.08 0.52 -3.11 0.00 0.00 179.97 177.24 1wil h MET 47 N -0.85 1.01 0.00 0.20 2.86 -1.27 -3.45 114.93 113.42 1wil h MET 47 Ca -0.05 -0.35 0.00 0.00 -2.06 0.00 0.00 59.70 57.24 1wil h MET 47 Cb 0.53 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1wil h MET 47 CO 0.08 1.04 0.00 0.41 1.06 0.00 0.00 176.91 179.49 1wil n GLY 48 N -0.33 0.70 0.01 8.32 0.00 0.12 -5.05 105.19 108.97 1wil n GLY 48 Ca 0.02 -0.69 0.04 0.00 0.00 0.00 0.00 46.02 45.39 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 0.00 1.61 4.01 0.93 -4.78 117.16 118.93 1wil n TYR 49 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1wil n TYR 49 Cb 0.00 -0.32 0.00 0.00 -0.31 0.00 0.00 39.34 38.71 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 -2.00 0.00 -3.65 -0.72 -6.64 -1.25 -5.04 119.36 100.06 1wil n ILE 50 Ca -0.05 0.00 -0.02 0.00 -1.77 0.00 0.00 62.75 60.91 1wil n ILE 50 Cb 0.41 -0.38 -0.07 0.00 -1.44 0.00 0.00 39.64 38.16 1wil n ILE 50 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1wil s GLN 51 N -1.50 0.11 0.88 6.28 1.03 -1.26 -5.06 119.66 120.13 1wil s GLN 51 Ca 0.00 0.14 -0.14 0.00 0.04 0.00 0.00 55.36 55.40 1wil s GLN 51 Cb 0.00 0.04 0.22 0.00 0.03 0.00 0.00 33.01 33.30 1wil s GLN 51 CO 0.00 -0.01 0.50 0.41 -2.54 0.00 0.00 175.29 173.64 1wil n GLY 52 N 2.06 -3.52 2.09 2.60 0.00 -1.26 -4.20 105.19 102.96 1wil n GLY 52 Ca -0.12 -1.15 -0.17 0.00 0.00 0.00 0.00 46.02 44.58 1wil n GLY 52 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wil n ASP 53 N -4.17 5.99 -3.61 1.61 2.03 -1.24 -4.69 116.55 112.46 1wil n ASP 53 Ca 0.08 -2.87 -0.29 0.00 0.52 0.00 0.00 54.79 52.23 1wil n ASP 53 Cb 0.34 -1.23 -0.13 0.00 -0.72 0.00 0.00 41.12 39.38 1wil n ASP 53 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1wil s SER 54 N 0.98 3.50 -0.30 1.67 0.15 -1.26 -5.07 113.70 113.37 1wil s SER 54 Ca 0.47 -2.07 -0.17 0.00 0.70 0.00 0.00 55.95 54.88 1wil s SER 54 Cb 0.28 -0.69 0.18 0.00 -1.71 0.00 0.00 66.02 64.08 1wil s SER 54 CO -0.08 -0.34 1.16 0.00 1.20 0.00 0.00 173.24 175.18 1wil s ALA 55 N 1.12 -2.93 0.00 5.45 0.00 -1.26 -5.03 121.76 119.10 1wil s ALA 55 Ca 0.15 1.93 0.00 0.00 0.00 0.00 0.00 51.96 54.04 1wil s ALA 55 Cb -0.21 -2.13 0.00 0.00 0.00 0.00 0.00 23.12 20.78 1wil s ALA 55 CO -0.10 -0.83 0.77 0.00 0.00 0.00 0.00 175.76 175.60 1wil n ALA 56 N 4.43 2.17 -2.10 0.00 0.00 -1.26 -4.70 120.51 119.05 1wil n ALA 56 Ca -0.10 -0.77 -0.27 0.00 0.00 0.00 0.00 53.44 52.30 1wil n ALA 56 Cb 0.55 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.02 1wil n ALA 56 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1wil n GLU 57 N -0.28 3.39 -4.15 0.00 0.00 -1.26 -5.03 120.64 113.32 1wil n GLU 57 Ca 0.00 -4.15 -0.36 0.00 0.00 0.00 0.00 57.16 52.66 1wil n GLU 57 Cb 0.15 -2.27 -0.08 0.00 0.00 0.00 0.00 31.44 29.24 1wil n GLU 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 1wil s VAL 58 N -4.98 4.80 -0.24 3.84 -7.23 -1.26 -5.09 120.40 110.24 1wil s VAL 58 Ca 0.52 -0.06 -0.03 0.00 -1.81 0.00 0.00 61.98 60.60 1wil s VAL 58 Cb 0.42 -3.07 0.10 0.00 0.56 0.00 0.00 36.38 34.39 1wil s VAL 58 CO -0.08 0.59 0.22 -0.89 -0.31 0.00 0.00 175.10 174.63 1wil s THR 59 N -0.75 -0.29 0.13 5.32 2.01 -1.26 -5.14 115.64 115.66 1wil s THR 59 Ca 0.12 -0.32 -0.25 0.00 0.31 0.00 0.00 61.69 61.55 1wil s THR 59 Cb -0.12 -0.80 0.07 0.00 0.01 0.00 0.00 72.50 71.66 1wil s THR 59 CO 0.03 -0.36 0.88 -0.70 -0.69 0.00 0.00 174.62 173.77 1wil s GLU 60 N 2.29 1.18 -0.20 4.92 2.12 -1.26 -5.15 118.70 122.60 1wil s GLU 60 Ca 0.08 -0.58 0.00 0.00 0.36 0.00 0.00 54.97 54.82 1wil s GLU 60 Cb -0.15 0.44 0.05 0.00 0.26 0.00 0.00 34.13 34.73 1wil s GLU 60 CO -0.21 -0.53 -0.07 -1.64 -0.54 0.00 0.00 175.26 172.27 1wil s MET 61 N -3.37 1.68 -0.17 4.30 -1.94 -1.26 -5.01 119.30 113.54 1wil s MET 61 Ca 0.09 -0.76 -0.16 0.00 -1.71 0.00 0.00 55.69 53.15 1wil s MET 61 Cb -0.02 -2.32 -0.05 0.00 2.01 0.00 0.00 34.83 34.45 1wil s MET 61 CO -0.02 -0.48 -0.31 0.00 -0.01 0.00 0.00 175.02 174.20 1wil n ALA 62 N 4.76 0.78 -0.35 3.03 0.00 -1.26 -3.21 120.51 124.26 1wil n ALA 62 Ca -0.13 -0.74 -0.02 0.00 0.00 0.00 0.00 53.44 52.55 1wil n ALA 62 Cb 0.46 0.03 0.02 0.00 0.00 0.00 0.00 19.45 19.96 1wil n ALA 62 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1wil n HIS 63 N -4.41 -0.03 -1.37 0.00 -0.00 -1.26 -4.13 115.22 104.02 1wil n HIS 63 Ca -0.12 1.12 -0.41 0.00 0.46 0.00 0.00 57.72 58.76 1wil n HIS 63 Cb 0.46 -0.80 0.01 0.00 -0.12 0.00 0.00 29.99 29.54 1wil n HIS 63 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 1wil n THR 64 N -5.30 1.16 -1.64 3.57 -2.24 -1.26 -4.55 114.28 104.01 1wil n THR 64 Ca 0.08 -0.50 -0.40 0.00 -2.27 0.00 0.00 64.05 60.96 1wil n THR 64 Cb 0.34 -0.28 0.02 0.00 -2.10 0.00 0.00 70.33 68.32 1wil n THR 64 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1wil n GLU 65 N 0.92 1.45 -4.30 -0.78 4.07 -1.26 -1.82 120.64 118.91 1wil n GLU 65 Ca 0.11 0.52 -0.40 0.00 -0.06 0.00 0.00 57.16 57.34 1wil n GLU 65 Cb 0.42 -2.19 -0.07 0.00 -0.06 0.00 0.00 31.44 29.53 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 -0.68 -0.00 0.00 6.31 -2.24 -1.26 -4.87 114.28 111.54 1wil n THR 66 Ca 0.09 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1wil n THR 66 Cb 0.41 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 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 -1.02 -1.39 3.84 3.38 0.00 -0.76 -4.83 105.19 104.42 1wil n GLY 67 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 3.43 0.06 1.61 -0.11 -1.20 -4.99 118.94 117.75 1wil s TRP 68 Ca 0.00 0.30 -0.21 0.00 1.22 0.00 0.00 56.10 57.40 1wil s TRP 68 Cb 0.00 -1.79 -0.06 0.00 -1.50 0.00 0.00 33.47 30.11 1wil s TRP 68 CO 0.00 0.61 0.64 -1.12 -4.62 0.00 0.00 176.95 172.45 1wil s SER 69 N -1.77 7.11 1.00 5.86 0.01 -1.26 -4.69 113.70 119.96 1wil s SER 69 Ca 0.24 1.32 -0.12 0.00 1.31 0.00 0.00 55.95 58.70 1wil s SER 69 Cb -0.12 -2.40 0.19 0.00 0.21 0.00 0.00 66.02 63.90 1wil s SER 69 CO 0.15 0.18 1.08 0.00 0.41 0.00 0.00 173.24 175.07 1wil h HIS 71 N -1.95 1.15 -0.36 0.00 2.76 -2.00 -2.96 115.15 111.78 1wil h HIS 71 Ca -0.54 -0.26 -0.23 0.00 -2.20 0.00 0.00 60.37 57.14 1wil h HIS 71 Cb 1.31 -0.27 -0.11 0.00 1.55 0.00 0.00 27.41 29.89 1wil h HIS 71 CO 0.34 1.09 0.30 0.66 -1.30 0.00 0.00 177.93 179.02 1wil n TYR 72 N -4.12 1.17 -2.56 5.26 4.01 -1.26 -4.91 117.16 114.74 1wil n TYR 72 Ca 0.01 -1.57 -0.23 0.00 -0.16 0.00 0.00 57.90 55.94 1wil n TYR 72 Cb 0.44 -0.77 0.09 0.00 -0.31 0.00 0.00 39.34 38.79 1wil n TYR 72 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1wil s ASP 74 N -4.66 5.73 0.06 0.00 1.11 -1.26 -5.05 116.67 112.60 1wil s ASP 74 Ca 0.64 -1.82 -0.05 0.00 0.18 0.00 0.00 52.55 51.50 1wil s ASP 74 Cb -0.07 -2.02 -0.02 0.00 1.07 0.00 0.00 42.92 41.88 1wil s ASP 74 CO 0.43 -0.68 0.08 0.21 1.18 0.00 0.00 175.17 176.40 1wil s ASN 75 N 2.63 0.26 -0.69 0.27 2.47 -1.26 -5.08 114.94 113.54 1wil s ASN 75 Ca 0.05 -0.73 -0.26 0.00 0.42 0.00 0.00 52.86 52.34 1wil s ASN 75 Cb -0.26 0.26 -0.10 0.00 -1.45 0.00 0.00 41.25 39.70 1wil s ASN 75 CO 0.00 -0.62 2.32 -0.63 -3.72 0.00 0.00 177.10 174.45 1wil s ILE 76 N -3.48 3.08 -0.75 -5.21 1.09 -1.26 -4.86 121.20 109.81 1wil s ILE 76 Ca 0.02 -0.03 -0.26 0.00 -1.10 0.00 0.00 60.65 59.29 1wil s ILE 76 Cb 0.04 -3.20 -0.05 0.00 -1.06 0.00 0.00 42.46 38.19 1wil s ILE 76 CO -0.09 -0.19 2.03 0.20 -0.10 0.00 0.00 174.94 176.79 1wil s ASN 77 N 10.78 4.94 0.21 3.58 0.01 -1.26 -4.91 114.94 128.30 1wil s ASN 77 Ca 0.90 -0.07 -0.29 0.00 -0.71 0.00 0.00 52.86 52.68 1wil s ASN 77 Cb -0.13 -2.54 -0.16 0.00 0.41 0.00 0.00 41.25 38.82 1wil s ASN 77 CO 0.14 -2.79 0.82 0.00 -1.51 0.00 0.00 177.10 173.75 1wil n LEU 78 N 14.41 0.30 -4.84 0.60 -0.00 -1.26 -4.93 117.00 121.27 1wil n LEU 78 Ca 0.34 1.15 -0.30 0.00 -0.00 0.00 0.00 56.01 57.20 1wil n LEU 78 Cb 0.49 -1.10 0.05 0.00 -0.00 0.00 0.00 43.42 42.85 1wil n LEU 78 CO 0.64 -2.12 0.72 -1.48 -0.00 0.00 0.00 177.39 175.15 1wil s LEU 79 N 1.58 2.96 0.01 1.47 2.34 -1.26 -5.09 118.68 120.68 1wil s LEU 79 Ca 0.65 1.36 0.00 0.00 0.06 0.00 0.00 54.13 56.20 1wil s LEU 79 Cb -0.86 -4.19 -0.01 0.00 -0.56 0.00 0.00 46.19 40.58 1wil s LEU 79 CO 0.57 -1.42 -0.01 -0.22 -1.06 0.00 0.00 176.35 174.21 1wil s LEU 80 N -5.47 2.06 -0.53 1.48 0.20 -1.26 -5.10 118.68 110.07 1wil s LEU 80 Ca 0.58 -0.14 -0.27 0.00 0.69 0.00 0.00 54.13 54.99 1wil s LEU 80 Cb -0.13 -0.01 -0.03 0.00 -0.43 0.00 0.00 46.19 45.60 1wil s LEU 80 CO 0.54 -0.07 1.93 -0.89 -0.29 0.00 0.00 176.35 177.56 1wil s THR 81 N -0.39 3.33 -0.29 3.68 2.01 -1.26 -4.89 115.64 117.83 1wil s THR 81 Ca -0.04 0.24 -0.16 0.00 0.31 0.00 0.00 61.69 62.04 1wil s THR 81 Cb -0.03 -3.74 0.15 0.00 0.01 0.00 0.00 72.50 68.89 1wil s THR 81 CO -0.00 -0.66 0.95 -0.70 -0.69 0.00 0.00 174.62 173.52 1wil s GLU 82 N 6.90 0.39 -0.51 4.92 2.56 -1.26 -5.11 118.70 126.59 1wil s GLU 82 Ca 0.75 0.73 0.04 0.00 0.00 0.00 0.00 54.97 56.48 1wil s GLU 82 Cb -0.16 0.17 0.17 0.00 2.00 0.00 0.00 34.13 36.32 1wil s GLU 82 CO 0.24 -0.09 0.40 -0.85 -0.56 0.00 0.00 175.26 174.40 1wil n GLU 83 N 4.04 0.75 -3.54 4.30 0.28 -1.26 -5.06 120.64 120.14 1wil n GLU 83 Ca -0.17 -3.62 -0.22 0.00 -0.16 0.00 0.00 57.16 53.00 1wil n GLU 83 Cb 0.56 -1.87 -0.15 0.00 1.43 0.00 0.00 31.44 31.42 1wil n GLU 83 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1wil s SER 84 N -0.48 1.81 0.00 -1.84 0.01 -1.26 -5.09 113.70 106.85 1wil s SER 84 Ca 0.30 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 57.16 1wil s SER 84 Cb 0.02 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.35 1wil s SER 84 CO -0.19 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 173.73 1wil n GLY 85 N 5.30 0.15 3.60 3.44 0.00 -1.26 -5.06 105.19 111.36 1wil n GLY 85 Ca -0.06 0.69 -0.43 0.00 0.00 0.00 0.00 46.02 46.22 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 3.41 -1.71 1.61 0.04 -1.26 -3.40 135.00 133.69 1wil s PRO 86 Ca 0.00 1.31 -0.18 0.00 0.04 0.00 0.00 61.00 62.17 1wil s PRO 86 Cb 0.00 -4.15 0.16 0.00 0.04 0.00 0.00 34.50 30.55 1wil s PRO 86 CO 0.00 -1.76 0.74 0.43 0.04 0.00 0.00 177.00 176.44 1wil n SER 87 N 9.84 -2.94 -4.66 6.66 7.64 -1.26 -4.89 113.62 124.02 1wil n SER 87 Ca 0.21 -1.04 -0.41 0.00 1.01 0.00 0.00 58.87 58.64 1wil n SER 87 Cb 0.47 -2.64 -0.05 0.00 -1.01 0.00 0.00 64.21 60.98 1wil n SER 87 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wil s SER 88 N -3.36 6.77 0.00 6.43 0.15 -1.22 -5.32 113.70 117.15 1wil s SER 88 Ca 0.70 0.94 0.00 0.00 0.70 0.00 0.00 55.95 58.29 1wil s SER 88 Cb -0.39 -2.39 0.00 0.00 -1.71 0.00 0.00 66.02 61.54 1wil s SER 88 CO 0.94 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 175.65