#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 -1.23 -0.04 1.61 2.88 -1.26 -4.80 113.62 110.78 1wil n SER 2 Ca 0.00 -1.18 -0.15 0.00 -1.33 0.00 0.00 58.87 56.22 1wil n SER 2 Cb 0.00 -1.50 -0.08 0.00 -0.75 0.00 0.00 64.21 61.88 1wil n SER 2 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1wil h SER 3 N -0.96 0.50 0.00 -3.46 4.64 -2.07 -3.48 113.55 108.71 1wil h SER 3 Ca -0.57 -0.58 0.00 0.00 -0.47 0.00 0.00 61.79 60.16 1wil h SER 3 Cb 1.30 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1wil h SER 3 CO 0.81 0.99 0.00 0.61 -0.87 0.00 0.00 176.83 178.37 1wil n GLY 4 N 0.51 0.98 3.54 -0.77 0.00 -1.26 -5.15 105.19 103.03 1wil n GLY 4 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.92 -0.78 -0.57 1.61 0.15 -1.26 -5.12 113.70 106.80 1wil s SER 5 Ca 0.00 1.32 -0.20 0.00 0.70 0.00 0.00 55.95 57.78 1wil s SER 5 Cb 0.00 1.24 0.08 0.00 -1.71 0.00 0.00 66.02 65.63 1wil s SER 5 CO 0.00 -0.22 0.73 -0.44 1.20 0.00 0.00 173.24 174.51 1wil s SER 6 N 1.24 6.20 -0.03 5.45 0.01 -1.26 -5.02 113.70 120.29 1wil s SER 6 Ca -0.07 -1.13 0.01 0.00 1.31 0.00 0.00 55.95 56.07 1wil s SER 6 Cb -0.06 -2.32 0.02 0.00 0.21 0.00 0.00 66.02 63.87 1wil s SER 6 CO -0.13 -1.10 -0.03 -0.83 0.41 0.00 0.00 173.24 171.56 1wil s GLY 7 N 3.28 0.35 0.00 3.44 0.00 -1.26 -5.01 107.32 108.13 1wil s GLY 7 Ca 0.15 0.01 0.15 0.00 0.00 0.00 0.00 44.72 45.04 1wil s GLY 7 CO 0.09 0.42 1.33 -1.55 0.00 0.00 0.00 173.10 173.39 1wil n PRO 8 N 3.94 0.49 -3.21 2.90 -0.04 -1.26 -4.63 135.00 133.19 1wil n PRO 8 Ca -0.25 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.80 1wil n PRO 8 Cb 0.51 -1.49 -0.07 0.00 -0.04 0.00 0.00 33.50 32.41 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 -2.00 3.69 0.04 0.54 3.00 -1.26 -4.98 118.95 117.99 1wil s ARG 9 Ca 0.23 -0.05 -0.32 0.00 0.00 0.00 0.00 55.73 55.58 1wil s ARG 9 Cb 0.11 -3.79 -0.18 0.00 0.00 0.00 0.00 34.95 31.09 1wil s ARG 9 CO 0.18 -0.63 1.39 0.93 0.00 0.00 0.00 175.30 177.17 1wil h GLU 10 N 8.41 -1.12 -7.34 3.54 5.08 -2.06 -3.45 114.58 117.64 1wil h GLU 10 Ca -0.28 0.08 -0.48 0.00 -1.00 0.00 0.00 59.36 57.68 1wil h GLU 10 Cb 1.12 0.26 0.15 0.00 0.50 0.00 0.00 28.75 30.77 1wil h GLU 10 CO 0.78 -0.75 0.25 -1.25 -1.00 0.00 0.00 179.01 177.04 1wil s PRO 11 N -5.41 1.29 -0.28 2.33 0.04 -1.26 -5.04 135.00 126.67 1wil s PRO 11 Ca -0.17 0.83 -0.04 0.00 0.04 0.00 0.00 61.00 61.66 1wil s PRO 11 Cb 0.02 -1.81 0.02 0.00 0.04 0.00 0.00 34.50 32.77 1wil s PRO 11 CO 0.51 -2.22 0.01 0.14 0.04 0.00 0.00 177.00 175.48 1wil s VAL 12 N -2.94 3.36 -0.21 -0.36 -7.23 -1.26 -5.09 120.40 106.67 1wil s VAL 12 Ca 0.63 -0.95 -0.07 0.00 -1.81 0.00 0.00 61.98 59.78 1wil s VAL 12 Cb -0.18 -2.76 -0.03 0.00 0.56 0.00 0.00 36.38 33.97 1wil s VAL 12 CO 0.57 0.09 0.06 -0.69 -0.31 0.00 0.00 175.10 174.81 1wil s VAL 13 N 1.39 4.50 -0.01 1.32 1.01 -1.26 -5.09 120.40 122.26 1wil s VAL 13 Ca 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.86 1wil s VAL 13 Cb -0.17 -3.06 0.01 0.00 0.00 0.00 0.00 36.38 33.16 1wil s VAL 13 CO -0.01 0.41 -0.01 0.54 0.00 0.00 0.00 175.10 176.03 1wil s ASN 14 N 0.92 0.28 0.14 3.32 2.20 -1.26 -5.04 114.94 115.50 1wil s ASN 14 Ca 0.03 -0.03 0.00 0.00 -0.94 0.00 0.00 52.86 51.92 1wil s ASN 14 Cb -0.14 -0.08 0.00 0.00 -2.00 0.00 0.00 41.25 39.03 1wil s ASN 14 CO 0.03 -0.02 0.00 0.47 -2.94 0.00 0.00 177.10 174.64 1wil n ASP 15 N 3.40 0.20 -3.85 3.54 8.00 -1.26 -5.01 116.55 121.57 1wil n ASP 15 Ca -0.17 0.23 -0.30 0.00 0.71 0.00 0.00 54.79 55.26 1wil n ASP 15 Cb 0.56 0.08 -0.14 0.00 -0.02 0.00 0.00 41.12 41.61 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 -2.00 1.67 0.13 -1.24 2.02 -1.26 -4.95 118.70 113.07 1wil s GLU 16 Ca 0.00 -2.35 0.09 0.00 0.02 0.00 0.00 54.97 52.74 1wil s GLU 16 Cb 0.00 -2.89 -0.04 0.00 0.10 0.00 0.00 34.13 31.30 1wil s GLU 16 CO 0.00 -1.13 -0.19 -1.64 0.02 0.00 0.00 175.26 172.32 1wil s MET 17 N 0.00 1.72 0.55 1.61 -1.94 -1.26 -4.01 119.30 115.97 1wil s MET 17 Ca 0.17 -1.23 -0.20 0.00 -1.71 0.00 0.00 55.69 52.72 1wil s MET 17 Cb -0.25 -2.07 -0.06 0.00 2.01 0.00 0.00 34.83 34.46 1wil s MET 17 CO 0.00 0.47 1.14 0.00 -0.01 0.00 0.00 175.02 176.62 1wil n ASP 19 N -1.29 0.07 0.00 0.00 8.00 -1.23 -0.02 116.55 122.07 1wil n ASP 19 Ca 0.12 -1.28 0.00 0.00 0.71 0.00 0.00 54.79 54.34 1wil n ASP 19 Cb 0.51 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 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 -0.82 0.00 -0.03 2.53 0.31 -1.26 -4.84 118.33 114.22 1wil n VAL 20 Ca 0.18 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.50 1wil n VAL 20 Cb 0.09 -0.35 -0.07 0.00 -0.91 0.00 0.00 33.84 32.60 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 -2.16 -5.76 -3.84 0.00 -0.58 0.97 -4.82 120.64 104.45 1wil n GLU 22 Ca -0.10 0.67 -0.12 0.00 -0.42 0.00 0.00 57.16 57.19 1wil n GLU 22 Cb 0.60 -5.46 -0.10 0.00 -0.57 0.00 0.00 31.44 25.90 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 -3.46 0.06 0.34 2.62 -7.23 -1.26 -4.66 120.40 106.80 1wil s VAL 23 Ca 0.32 -0.47 0.09 0.00 -1.81 0.00 0.00 61.98 60.11 1wil s VAL 23 Cb -0.15 -0.40 -0.06 0.00 0.56 0.00 0.00 36.38 36.32 1wil s VAL 23 CO 0.80 -0.26 -0.06 -1.66 -0.31 0.00 0.00 175.10 173.61 1wil s TRP 24 N -0.95 2.46 0.03 2.82 1.48 -1.26 -3.44 118.94 120.09 1wil s TRP 24 Ca -0.10 -0.47 0.02 0.00 -1.06 0.00 0.00 56.10 54.49 1wil s TRP 24 Cb -0.06 -1.41 -0.02 0.00 -1.16 0.00 0.00 33.47 30.82 1wil s TRP 24 CO 0.01 0.55 -0.08 0.99 -4.06 0.00 0.00 176.95 174.37 1wil s THR 25 N -2.57 0.56 0.18 0.66 2.01 -1.26 -5.06 115.64 110.16 1wil s THR 25 Ca 0.33 -0.84 -0.27 0.00 0.31 0.00 0.00 61.69 61.22 1wil s THR 25 Cb 0.01 -0.57 0.01 0.00 0.01 0.00 0.00 72.50 71.96 1wil s THR 25 CO 0.18 -0.21 1.55 0.00 -0.69 0.00 0.00 174.62 175.44 1wil h ALA 26 N 4.95 -0.38 -2.70 7.40 0.00 -2.02 -3.41 119.26 123.11 1wil h ALA 26 Ca -0.34 0.15 -0.26 0.00 0.00 0.00 0.00 54.91 54.46 1wil h ALA 26 Cb 1.20 1.23 0.16 0.00 0.00 0.00 0.00 17.79 20.38 1wil h ALA 26 CO 0.44 -0.88 -0.13 0.39 0.00 0.00 0.00 179.25 179.07 1wil n GLU 27 N -5.33 -3.50 -2.14 0.00 1.02 -1.26 -4.89 120.64 104.54 1wil n GLU 27 Ca 0.04 -1.06 -0.41 0.00 -0.02 0.00 0.00 57.16 55.71 1wil n GLU 27 Cb 0.31 -1.51 -0.02 0.00 -0.02 0.00 0.00 31.44 30.19 1wil n GLU 27 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1wil s SER 28 N -2.63 6.81 -0.07 1.62 0.01 -1.26 -5.01 113.70 113.16 1wil s SER 28 Ca 0.49 2.61 -0.09 0.00 1.31 0.00 0.00 55.95 60.27 1wil s SER 28 Cb -0.09 -2.64 -0.05 0.00 0.21 0.00 0.00 66.02 63.46 1wil s SER 28 CO 0.41 -0.53 0.23 -0.22 0.41 0.00 0.00 173.24 173.54 1wil s LEU 29 N -1.32 4.41 0.46 2.44 0.20 -1.26 -4.98 118.68 118.63 1wil s LEU 29 Ca 0.51 0.61 -0.14 0.00 0.69 0.00 0.00 54.13 55.80 1wil s LEU 29 Cb -0.39 -2.29 -0.07 0.00 -0.43 0.00 0.00 46.19 43.00 1wil s LEU 29 CO 0.49 0.37 0.88 -0.36 -0.29 0.00 0.00 176.35 177.44 1wil s PHE 30 N -1.08 3.45 -0.02 5.38 0.40 -1.26 -3.19 117.98 121.66 1wil s PHE 30 Ca 0.19 1.29 -0.25 0.00 -0.60 0.00 0.00 56.93 57.55 1wil s PHE 30 Cb -0.13 -2.64 -0.20 0.00 0.51 0.00 0.00 43.02 40.56 1wil s PHE 30 CO 0.08 -0.23 1.23 -1.00 0.70 0.00 0.00 175.22 176.00 1wil h PRO 31 N 1.14 -0.05 -5.19 0.24 0.13 -1.78 -0.33 132.00 126.17 1wil h PRO 31 Ca -0.47 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.04 1wil h PRO 31 Cb 1.19 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.20 1wil h PRO 31 CO 0.63 0.42 -0.53 0.00 -0.23 0.00 0.00 178.00 178.28 1wil n ARG 33 N -1.09 0.01 -0.24 0.00 0.63 -1.25 -4.50 116.66 110.22 1wil n ARG 33 Ca -0.13 0.13 0.10 0.00 -0.92 0.00 0.00 57.85 57.03 1wil n ARG 33 Cb 0.66 -0.64 0.20 0.00 0.45 0.00 0.00 32.46 33.13 1wil n ARG 33 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 1wil n VAL 34 N -2.41 -0.29 -1.71 5.15 3.14 -1.26 -3.96 118.33 116.99 1wil n VAL 34 Ca -0.00 1.53 -0.41 0.00 -2.96 0.00 0.00 64.34 62.50 1wil n VAL 34 Cb 0.01 -2.23 -0.03 0.00 -1.06 0.00 0.00 33.84 30.52 1wil n VAL 34 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1wil h THR 36 N 7.22 0.00 -1.49 0.00 2.02 -1.92 -3.36 112.91 115.38 1wil h THR 36 Ca -0.34 0.00 -0.61 0.00 0.77 0.00 0.00 66.41 66.23 1wil h THR 36 Cb 1.23 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 1wil h THR 36 CO 1.05 0.00 1.48 -1.14 0.37 0.00 0.00 175.52 177.28 1wil n ARG 37 N -4.11 1.42 -4.44 6.66 0.63 -1.26 -4.80 116.66 110.76 1wil n ARG 37 Ca 0.00 0.36 -0.34 0.00 -0.92 0.00 0.00 57.85 56.96 1wil n ARG 37 Cb 0.14 -2.86 -0.12 0.00 0.45 0.00 0.00 32.46 30.07 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 8.26 3.84 -0.16 5.15 -7.23 -1.26 -4.78 120.40 124.22 1wil s VAL 38 Ca 1.06 -0.38 -0.07 0.00 -1.81 0.00 0.00 61.98 60.77 1wil s VAL 38 Cb -0.58 -2.67 0.06 0.00 0.56 0.00 0.00 36.38 33.75 1wil s VAL 38 CO 0.41 0.51 0.37 0.72 -0.31 0.00 0.00 175.10 176.79 1wil s PHE 39 N 0.25 -0.58 -0.45 2.82 -0.71 -0.13 -3.56 117.98 115.62 1wil s PHE 39 Ca -0.03 1.22 -0.27 0.00 -1.04 0.00 0.00 56.93 56.81 1wil s PHE 39 Cb -0.14 0.20 -0.06 0.00 -1.21 0.00 0.00 43.02 41.81 1wil s PHE 39 CO 0.03 -0.36 2.27 -1.01 -1.34 0.00 0.00 175.22 174.81 1wil s HIS 40 N 1.80 1.21 0.21 3.49 3.76 -1.24 -2.43 115.29 122.08 1wil s HIS 40 Ca -0.06 1.21 0.10 0.00 -0.15 0.00 0.00 55.06 56.16 1wil s HIS 40 Cb -0.10 -3.75 0.72 0.00 1.11 0.00 0.00 32.58 30.56 1wil s HIS 40 CO -0.12 -2.83 0.93 -0.40 -0.85 0.00 0.00 174.74 171.47 1wil n ASP 41 N 14.38 0.15 0.51 1.40 5.75 -1.26 0.64 116.55 138.11 1wil n ASP 41 Ca 0.32 0.98 -0.21 0.00 -0.01 0.00 0.00 54.79 55.88 1wil n ASP 41 Cb 0.52 -0.45 -0.10 0.00 -1.03 0.00 0.00 41.12 40.06 1wil n ASP 41 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1wil h GLY 42 N 0.00 -1.41 -1.03 6.12 0.00 -1.99 -2.68 103.07 102.08 1wil h GLY 42 Ca 0.47 0.53 0.42 0.00 0.00 0.00 0.00 47.33 48.75 1wil h GLY 42 CO -0.47 -0.50 0.74 0.00 0.00 0.00 0.00 176.54 176.30 1wil h LEU 44 N 0.09 -0.36 -0.59 0.00 3.38 -1.29 0.24 115.31 116.77 1wil h LEU 44 Ca 0.82 0.04 -0.15 0.00 0.09 0.00 0.00 57.88 58.68 1wil h LEU 44 Cb 2.40 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 43.27 1wil h LEU 44 CO -0.54 -0.20 -0.66 0.08 0.09 0.00 0.00 178.44 177.21 1wil h ARG 45 N -0.28 0.19 0.55 1.13 0.11 -0.13 0.70 114.38 116.65 1wil h ARG 45 Ca 0.01 -0.15 -0.03 0.00 0.10 0.00 0.00 59.98 59.92 1wil h ARG 45 Cb 0.28 0.03 0.01 0.00 1.11 0.00 0.00 29.97 31.39 1wil h ARG 45 CO -0.05 0.78 -0.27 -0.09 0.10 0.00 0.00 179.97 180.44 1wil h ARG 46 N 0.14 -0.71 0.21 0.08 1.12 -0.20 -3.33 114.38 111.68 1wil h ARG 46 Ca -0.01 0.05 -0.01 0.00 -1.11 0.00 0.00 59.98 58.90 1wil h ARG 46 Cb 1.19 0.16 0.00 0.00 -0.01 0.00 0.00 29.97 31.31 1wil h ARG 46 CO 0.10 -0.41 -0.10 1.98 -3.11 0.00 0.00 179.97 178.43 1wil h MET 47 N -0.99 -0.27 0.00 0.20 4.05 -0.62 -3.49 114.93 113.81 1wil h MET 47 Ca -0.08 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 1wil h MET 47 Cb 0.64 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.50 1wil h MET 47 CO 0.12 0.08 0.00 0.41 0.23 0.00 0.00 176.91 177.75 1wil n GLY 48 N -0.12 0.07 0.13 1.39 0.00 -0.20 -5.08 105.19 101.37 1wil n GLY 48 Ca -0.09 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 0.03 1.61 4.02 0.23 -4.90 117.16 118.15 1wil n TYR 49 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.88 1wil n TYR 49 Cb 0.00 0.01 -0.01 0.00 -0.02 0.00 0.00 39.34 39.32 1wil n TYR 49 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 1wil h ILE 50 N 0.00 0.00 -1.36 -0.72 2.04 -1.91 -3.49 117.51 112.07 1wil h ILE 50 Ca 0.00 -0.21 0.15 0.00 1.00 0.00 0.00 64.86 65.80 1wil h ILE 50 Cb 0.87 0.00 -0.25 0.00 -0.74 0.00 0.00 36.82 36.71 1wil h ILE 50 CO 0.00 0.00 0.71 -1.58 0.00 0.00 0.00 178.15 177.28 1wil s GLN 51 N -1.84 0.38 -0.67 2.37 0.74 -1.26 -5.08 119.66 114.30 1wil s GLN 51 Ca -0.01 0.09 -0.19 0.00 0.05 0.00 0.00 55.36 55.29 1wil s GLN 51 Cb 0.00 0.18 -0.16 0.00 1.10 0.00 0.00 33.01 34.13 1wil s GLN 51 CO 0.04 -0.12 1.78 0.41 -0.55 0.00 0.00 175.29 176.86 1wil n GLY 52 N 0.63 -0.33 1.59 2.59 0.00 -1.26 -4.69 105.19 103.72 1wil n GLY 52 Ca -0.06 0.70 -0.03 0.00 0.00 0.00 0.00 46.02 46.63 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 6.74 5.53 -0.08 1.61 5.75 -1.26 -3.54 116.55 131.30 1wil n ASP 53 Ca 0.45 -2.52 -0.11 0.00 -0.01 0.00 0.00 54.79 52.59 1wil n ASP 53 Cb 0.03 -1.13 -0.07 0.00 -1.03 0.00 0.00 41.12 38.92 1wil n ASP 53 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1wil n SER 54 N 1.37 2.68 0.00 -1.12 7.64 -1.26 -4.71 113.62 118.22 1wil n SER 54 Ca 0.07 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1wil n SER 54 Cb 0.53 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 1wil n SER 54 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wil n ALA 55 N -3.01 2.19 -2.91 -0.43 0.00 -1.24 -5.01 120.51 110.10 1wil n ALA 55 Ca -0.27 -0.74 -0.32 0.00 0.00 0.00 0.00 53.44 52.11 1wil n ALA 55 Cb 0.78 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 20.06 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 -0.49 2.27 -0.35 0.00 0.00 -1.23 -5.10 121.76 116.86 1wil s ALA 56 Ca 0.00 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 50.98 1wil s ALA 56 Cb 0.00 -0.81 0.10 0.00 0.00 0.00 0.00 23.12 22.41 1wil s ALA 56 CO 0.00 0.37 0.07 -1.21 0.00 0.00 0.00 175.76 174.99 1wil s GLU 57 N 0.01 1.69 -0.08 0.00 2.02 -1.26 -4.68 118.70 116.41 1wil s GLU 57 Ca -0.08 -1.81 0.00 0.00 0.02 0.00 0.00 54.97 53.11 1wil s GLU 57 Cb -0.15 -3.27 -0.03 0.00 0.10 0.00 0.00 34.13 30.78 1wil s GLU 57 CO 0.05 -0.93 -0.06 0.08 0.02 0.00 0.00 175.26 174.41 1wil s VAL 58 N 0.98 3.73 -0.21 2.63 1.01 -1.26 -5.11 120.40 122.18 1wil s VAL 58 Ca 0.08 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.62 1wil s VAL 58 Cb -0.20 -2.54 0.04 0.00 0.00 0.00 0.00 36.38 33.68 1wil s VAL 58 CO -0.07 0.59 -0.15 -0.89 0.00 0.00 0.00 175.10 174.58 1wil s THR 59 N -0.71 2.02 -0.46 3.92 2.01 -1.26 -5.09 115.64 116.08 1wil s THR 59 Ca 0.11 -1.19 -0.16 0.00 0.31 0.00 0.00 61.69 60.76 1wil s THR 59 Cb -0.11 -1.97 0.05 0.00 0.01 0.00 0.00 72.50 70.48 1wil s THR 59 CO 0.02 0.28 0.40 -1.61 -0.69 0.00 0.00 174.62 173.02 1wil s GLU 60 N 1.24 3.00 -1.11 4.92 0.41 -1.26 -5.01 118.70 120.90 1wil s GLU 60 Ca -0.01 -1.18 -0.12 0.00 -0.41 0.00 0.00 54.97 53.25 1wil s GLU 60 Cb -0.16 -4.08 0.23 0.00 -1.78 0.00 0.00 34.13 28.34 1wil s GLU 60 CO -0.09 -0.96 1.18 -1.64 -0.49 0.00 0.00 175.26 173.26 1wil s MET 61 N 1.78 4.08 -0.12 1.61 -1.94 -1.26 -4.77 119.30 118.68 1wil s MET 61 Ca 0.06 -2.86 -0.11 0.00 -1.71 0.00 0.00 55.69 51.07 1wil s MET 61 Cb -0.22 -4.73 -0.26 0.00 2.01 0.00 0.00 34.83 31.63 1wil s MET 61 CO 0.08 -1.45 0.42 0.00 -0.01 0.00 0.00 175.02 174.07 1wil h ALA 62 N 7.06 0.32 -0.33 3.03 0.00 -1.93 -3.25 119.26 124.15 1wil h ALA 62 Ca 0.22 -1.27 0.04 0.00 0.00 0.00 0.00 54.91 53.90 1wil h ALA 62 Cb 0.90 0.63 -0.07 0.00 0.00 0.00 0.00 17.79 19.25 1wil h ALA 62 CO 1.07 1.09 -0.53 1.25 0.00 0.00 0.00 179.25 182.13 1wil h HIS 63 N -0.16 -1.61 -0.70 0.00 -0.00 -1.92 -3.38 115.15 107.39 1wil h HIS 63 Ca -0.38 0.07 -0.58 0.00 -0.00 0.00 0.00 60.37 59.48 1wil h HIS 63 Cb 1.88 0.74 0.02 0.00 -0.00 0.00 0.00 27.41 30.06 1wil h HIS 63 CO 0.09 -0.48 0.27 0.25 -0.00 0.00 0.00 177.93 178.06 1wil n THR 64 N -5.24 0.00 -1.26 6.26 -2.24 -1.26 -4.69 114.28 105.84 1wil n THR 64 Ca -0.04 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.32 1wil n THR 64 Cb 0.33 -0.18 -0.01 0.00 -2.10 0.00 0.00 70.33 68.37 1wil n THR 64 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1wil n GLU 65 N 1.93 0.00 -3.36 -0.78 1.02 -1.26 0.28 120.64 118.47 1wil n GLU 65 Ca 0.18 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 57.07 1wil n GLU 65 Cb 0.01 -0.95 -0.05 0.00 -0.02 0.00 0.00 31.44 30.43 1wil n GLU 65 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1wil n THR 66 N -0.60 0.00 0.00 2.62 -2.24 -1.26 -4.85 114.28 107.94 1wil n THR 66 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1wil n THR 66 Cb 0.33 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 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 -0.80 -3.10 3.61 3.38 0.00 0.14 -4.93 105.19 103.49 1wil n GLY 67 Ca 0.07 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 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 3.15 0.15 1.61 -0.11 -1.23 -5.06 118.94 117.46 1wil s TRP 68 Ca 0.00 -0.01 -0.22 0.00 1.22 0.00 0.00 56.10 57.09 1wil s TRP 68 Cb 0.00 -1.95 -0.08 0.00 -1.50 0.00 0.00 33.47 29.94 1wil s TRP 68 CO 0.00 0.19 0.69 -1.12 -4.62 0.00 0.00 176.95 172.09 1wil s SER 69 N -0.02 7.19 1.18 5.86 0.01 -1.26 -4.77 113.70 121.89 1wil s SER 69 Ca 0.04 1.46 -0.15 0.00 1.31 0.00 0.00 55.95 58.60 1wil s SER 69 Cb -0.13 -2.43 0.24 0.00 0.21 0.00 0.00 66.02 63.92 1wil s SER 69 CO 0.02 0.18 0.67 0.00 0.41 0.00 0.00 173.24 174.52 1wil h HIS 71 N -2.57 0.46 -0.29 0.00 3.86 -2.04 -3.31 115.15 111.26 1wil h HIS 71 Ca -0.60 -0.27 -0.26 0.00 -1.16 0.00 0.00 60.37 58.08 1wil h HIS 71 Cb 1.35 -0.04 -0.09 0.00 1.06 0.00 0.00 27.41 29.68 1wil h HIS 71 CO 0.18 1.12 -0.12 0.66 0.86 0.00 0.00 177.93 180.62 1wil n TYR 72 N -4.30 0.47 -2.19 2.45 4.01 -1.26 -4.91 117.16 111.42 1wil n TYR 72 Ca -0.11 -1.59 -0.27 0.00 -0.16 0.00 0.00 57.90 55.77 1wil n TYR 72 Cb 0.65 -1.42 0.16 0.00 -0.31 0.00 0.00 39.34 38.41 1wil n TYR 72 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1wil n ASP 74 N -3.41 3.11 -1.53 0.00 8.00 -1.26 -4.62 116.55 116.83 1wil n ASP 74 Ca 0.15 -0.04 -0.05 0.00 0.71 0.00 0.00 54.79 55.56 1wil n ASP 74 Cb 0.60 -0.16 0.01 0.00 -0.02 0.00 0.00 41.12 41.55 1wil n ASP 74 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1wil n ASN 75 N -2.82 5.19 -4.62 -2.24 3.02 -1.26 -4.87 115.26 107.66 1wil n ASN 75 Ca -0.18 -2.53 -0.43 0.00 -0.03 0.00 0.00 54.58 51.41 1wil n ASN 75 Cb 0.68 -1.00 -0.02 0.00 -0.61 0.00 0.00 39.78 38.83 1wil n ASN 75 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1wil s ILE 76 N -0.64 4.28 0.00 2.41 1.01 -1.26 -4.78 121.20 122.22 1wil s ILE 76 Ca 0.09 1.39 0.00 0.00 0.00 0.00 0.00 60.65 62.13 1wil s ILE 76 Cb 0.07 -4.48 0.00 0.00 0.01 0.00 0.00 42.46 38.07 1wil s ILE 76 CO 0.00 -0.76 0.00 0.59 0.00 0.00 0.00 174.94 174.77 1wil n ASN 77 N 7.55 0.25 -3.99 3.58 4.13 -1.26 -5.06 115.26 120.46 1wil n ASN 77 Ca 0.13 0.00 -0.27 0.00 1.68 0.00 0.00 54.58 56.12 1wil n ASN 77 Cb 0.48 0.00 -0.17 0.00 -1.54 0.00 0.00 39.78 38.55 1wil n ASN 77 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1wil s LEU 78 N -5.48 1.50 -0.63 3.41 2.96 -1.26 -5.08 118.68 114.11 1wil s LEU 78 Ca 0.00 -0.34 0.05 0.00 -0.22 0.00 0.00 54.13 53.62 1wil s LEU 78 Cb 0.00 -0.91 0.17 0.00 0.50 0.00 0.00 46.19 45.95 1wil s LEU 78 CO 0.00 -0.03 0.45 -0.22 -1.32 0.00 0.00 176.35 175.23 1wil s LEU 79 N 1.16 3.98 -1.47 -0.68 2.96 -1.26 -4.88 118.68 118.49 1wil s LEU 79 Ca -0.05 -3.63 -0.15 0.00 -0.22 0.00 0.00 54.13 50.08 1wil s LEU 79 Cb -0.14 -1.35 0.15 0.00 0.50 0.00 0.00 46.19 45.35 1wil s LEU 79 CO -0.03 -0.11 0.38 -0.11 -1.32 0.00 0.00 176.35 175.17 1wil n LEU 80 N 2.23 -0.70 -3.78 -0.68 7.94 -1.26 -4.87 117.00 115.89 1wil n LEU 80 Ca 0.21 -1.02 -0.13 0.00 -1.11 0.00 0.00 56.01 53.97 1wil n LEU 80 Cb 0.38 -1.30 -0.10 0.00 0.53 0.00 0.00 43.42 42.93 1wil n LEU 80 CO 0.23 0.14 -0.04 -0.89 -1.11 0.00 0.00 177.39 175.72 1wil s THR 81 N -3.10 0.04 0.00 1.96 2.01 -1.26 -5.05 115.64 110.24 1wil s THR 81 Ca 0.54 -0.32 0.00 0.00 0.31 0.00 0.00 61.69 62.22 1wil s THR 81 Cb -0.31 -0.50 0.00 0.00 0.01 0.00 0.00 72.50 71.70 1wil s THR 81 CO 0.83 -0.17 0.00 -1.84 -0.69 0.00 0.00 174.62 172.75 1wil n GLU 82 N 1.99 2.71 -3.00 4.92 0.00 -1.26 -4.97 120.64 121.03 1wil n GLU 82 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 57.16 56.58 1wil n GLU 82 Cb 0.57 -0.91 -0.06 0.00 0.00 0.00 0.00 31.44 31.04 1wil n GLU 82 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1wil s GLU 83 N -1.81 4.52 0.26 3.44 8.01 -1.26 -5.01 118.70 126.85 1wil s GLU 83 Ca 0.00 1.10 -0.31 0.00 0.01 0.00 0.00 54.97 55.77 1wil s GLU 83 Cb 0.00 -3.30 -0.13 0.00 -4.31 0.00 0.00 34.13 26.39 1wil s GLU 83 CO 0.00 0.47 1.46 0.43 0.01 0.00 0.00 175.26 177.63 1wil n SER 84 N 2.05 3.09 0.00 -0.19 7.64 -1.26 -4.88 113.62 120.06 1wil n SER 84 Ca -0.05 1.15 0.00 0.00 1.01 0.00 0.00 58.87 60.98 1wil n SER 84 Cb 0.49 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 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 2.11 -1.68 0.00 0.23 0.00 -1.26 -5.01 105.19 99.58 1wil n GLY 85 Ca 0.10 0.76 0.05 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 0.49 -0.99 1.61 -0.04 -1.26 -4.32 135.00 130.48 1wil n PRO 86 Ca 0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 1wil n PRO 86 Cb 0.00 -1.29 -0.02 0.00 -0.04 0.00 0.00 33.50 32.14 1wil n PRO 86 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wil n SER 87 N -0.79 6.41 -3.68 3.54 7.64 -1.26 -4.74 113.62 120.73 1wil n SER 87 Ca 0.07 -2.44 -0.11 0.00 1.01 0.00 0.00 58.87 57.40 1wil n SER 87 Cb 0.03 -1.29 -0.12 0.00 -1.01 0.00 0.00 64.21 61.82 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 2.94 -0.10 0.00 6.43 0.15 -1.26 -5.30 113.70 116.57 1wil s SER 88 Ca 0.52 0.76 0.00 0.00 0.70 0.00 0.00 55.95 57.93 1wil s SER 88 Cb 0.13 0.86 0.00 0.00 -1.71 0.00 0.00 66.02 65.30 1wil s SER 88 CO -0.04 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.79