#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wry s SER 2 N 0.00 6.31 -0.15 1.61 0.01 -1.26 -5.10 113.70 115.13 1wry s SER 2 Ca 0.00 0.58 -0.31 0.00 1.31 0.00 0.00 55.95 57.53 1wry s SER 2 Cb 0.00 -2.09 0.13 0.00 0.21 0.00 0.00 66.02 64.28 1wry s SER 2 CO 0.00 -0.33 1.08 -0.94 0.41 0.00 0.00 173.24 173.46 1wry s SER 3 N -3.90 -0.26 0.00 2.44 1.04 -1.26 -5.18 113.70 106.58 1wry s SER 3 Ca 0.42 0.15 0.00 0.00 0.48 0.00 0.00 55.95 57.00 1wry s SER 3 Cb -0.10 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.26 1wry s SER 3 CO 0.37 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.86 1wry n GLY 4 N 0.26 5.54 3.57 7.32 0.00 -1.26 -5.18 105.19 115.44 1wry n GLY 4 Ca -0.06 -1.83 -0.09 0.00 0.00 0.00 0.00 46.02 44.05 1wry n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wry s SER 5 N 1.00 -0.32 -0.17 1.61 0.15 -1.26 -5.15 113.70 109.56 1wry s SER 5 Ca 0.00 0.24 -0.04 0.00 0.70 0.00 0.00 55.95 56.85 1wry s SER 5 Cb 0.00 0.28 0.08 0.00 -1.71 0.00 0.00 66.02 64.68 1wry s SER 5 CO 0.00 -0.37 0.22 -0.44 1.20 0.00 0.00 173.24 173.85 1wry s SER 6 N -1.53 1.12 0.00 5.45 0.01 -1.26 -5.09 113.70 112.41 1wry s SER 6 Ca 0.02 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.26 1wry s SER 6 Cb -0.01 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.64 1wry s SER 6 CO -0.02 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 173.94 1wry n GLY 7 N 5.32 -0.55 2.93 3.44 0.00 -1.26 -5.11 105.19 109.97 1wry n GLY 7 Ca -0.05 0.03 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 1wry n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wry n MET 8 N 0.00 -2.49 -2.78 1.61 2.00 -1.26 -4.93 117.12 109.27 1wry n MET 8 Ca 0.00 2.12 -0.41 0.00 0.00 0.00 0.00 57.70 59.42 1wry n MET 8 Cb 0.00 -4.54 -0.05 0.00 0.00 0.00 0.00 33.22 28.63 1wry n MET 8 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1wry s VAL 9 N -1.91 4.42 -0.46 2.03 1.01 -1.26 -4.94 120.40 119.28 1wry s VAL 9 Ca 0.15 2.00 -0.15 0.00 0.00 0.00 0.00 61.98 63.98 1wry s VAL 9 Cb -0.03 -4.29 0.07 0.00 0.00 0.00 0.00 36.38 32.13 1wry s VAL 9 CO 0.70 0.38 0.37 -0.63 0.00 0.00 0.00 175.10 175.92 1wry s ILE 10 N -0.35 5.12 -0.22 2.22 -1.09 -1.10 -0.18 121.20 125.60 1wry s ILE 10 Ca 0.44 -1.08 -0.09 0.00 -2.23 0.00 0.00 60.65 57.68 1wry s ILE 10 Cb -0.24 -4.05 -0.05 0.00 -1.58 0.00 0.00 42.46 36.55 1wry s ILE 10 CO 0.29 -0.56 0.13 -0.13 -1.23 0.00 0.00 174.94 173.44 1wry s ARG 11 N 1.62 4.04 -0.10 2.79 0.52 0.24 0.20 118.95 128.26 1wry s ARG 11 Ca 0.04 -0.29 0.01 0.00 -0.52 0.00 0.00 55.73 54.96 1wry s ARG 11 Cb -0.24 -3.43 -0.02 0.00 0.52 0.00 0.00 34.95 31.78 1wry s ARG 11 CO 0.06 0.14 -0.12 0.08 0.02 0.00 0.00 175.30 175.48 1wry s VAL 12 N 0.81 3.22 -0.56 3.52 1.01 -0.24 0.16 120.40 128.32 1wry s VAL 12 Ca 0.06 -0.62 -0.14 0.00 0.00 0.00 0.00 61.98 61.28 1wry s VAL 12 Cb -0.13 -2.33 0.14 0.00 0.00 0.00 0.00 36.38 34.06 1wry s VAL 12 CO 0.02 0.55 0.49 -0.31 0.00 0.00 0.00 175.10 175.85 1wry s TYR 13 N -0.07 3.35 0.35 5.22 1.51 0.48 0.84 117.35 129.03 1wry s TYR 13 Ca -0.02 -1.54 0.07 0.00 -1.01 0.00 0.00 57.07 54.58 1wry s TYR 13 Cb -0.14 -3.72 -0.02 0.00 -0.11 0.00 0.00 41.96 37.97 1wry s TYR 13 CO 0.04 -1.01 0.34 0.96 -1.11 0.00 0.00 175.55 174.77 1wry s ILE 14 N 1.35 3.45 -0.75 2.71 -4.36 0.46 -2.47 121.20 121.60 1wry s ILE 14 Ca 0.06 -1.29 0.03 0.00 -0.26 0.00 0.00 60.65 59.18 1wry s ILE 14 Cb -0.27 -3.18 0.31 0.00 1.25 0.00 0.00 42.46 40.57 1wry s ILE 14 CO 0.01 -0.14 1.16 0.00 0.24 0.00 0.00 174.94 176.21 1wry n ALA 15 N -1.46 4.91 -1.57 2.27 0.00 -1.26 0.23 120.51 123.63 1wry n ALA 15 Ca -0.00 -4.72 -0.61 0.00 0.00 0.00 0.00 53.44 48.11 1wry n ALA 15 Cb 0.60 -1.29 -0.09 0.00 0.00 0.00 0.00 19.45 18.67 1wry n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wry n SER 16 N 0.25 0.73 -0.21 0.00 2.88 -1.26 -0.68 113.62 115.32 1wry n SER 16 Ca 0.34 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.99 1wry n SER 16 Cb 0.36 -0.85 0.00 0.00 -0.75 0.00 0.00 64.21 62.97 1wry n SER 16 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wry n SER 17 N 2.94 -1.20 -4.76 -3.46 2.88 -1.26 -4.63 113.62 104.13 1wry n SER 17 Ca 0.26 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.40 1wry n SER 17 Cb -0.01 -0.39 -0.05 0.00 -0.75 0.00 0.00 64.21 63.02 1wry n SER 17 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wry s SER 18 N -2.77 7.30 -1.49 -3.46 0.15 0.14 -4.94 113.70 108.64 1wry s SER 18 Ca 0.00 2.09 -0.08 0.00 0.70 0.00 0.00 55.95 58.66 1wry s SER 18 Cb 0.00 -2.61 0.01 0.00 -1.71 0.00 0.00 66.02 61.71 1wry s SER 18 CO 0.00 -0.10 2.69 0.61 1.20 0.00 0.00 173.24 177.64 1wry n GLY 19 N 1.07 4.69 3.08 9.45 0.00 -1.26 -4.59 105.19 117.63 1wry n GLY 19 Ca -0.00 -1.75 0.05 0.00 0.00 0.00 0.00 46.02 44.31 1wry n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wry s SER 20 N 1.37 -0.47 0.33 1.61 0.01 -1.26 -5.02 113.70 110.27 1wry s SER 20 Ca 0.62 -0.00 0.12 0.00 1.31 0.00 0.00 55.95 58.00 1wry s SER 20 Cb 0.18 1.15 1.04 0.00 0.21 0.00 0.00 66.02 68.60 1wry s SER 20 CO -0.08 -0.08 1.61 0.74 0.41 0.00 0.00 173.24 175.85 1wry h THR 21 N 4.38 0.14 -0.51 1.44 2.02 -1.99 0.65 112.91 119.02 1wry h THR 21 Ca -0.08 -0.04 0.10 0.00 0.77 0.00 0.00 66.41 67.16 1wry h THR 21 Cb 1.19 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.50 1wry h THR 21 CO -0.08 0.02 -0.26 0.00 0.37 0.00 0.00 175.52 175.58 1wry h ALA 22 N 1.92 0.08 0.94 6.16 0.00 -1.96 0.44 119.26 126.84 1wry h ALA 22 Ca 0.71 0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.74 1wry h ALA 22 Cb 1.68 0.62 0.01 0.00 0.00 0.00 0.00 17.79 20.10 1wry h ALA 22 CO -0.74 -0.60 -0.45 0.82 0.00 0.00 0.00 179.25 178.28 1wry h ILE 23 N -0.14 0.05 -0.99 0.00 2.04 -0.07 0.39 117.51 118.78 1wry h ILE 23 Ca 0.23 -0.04 0.12 0.00 1.00 0.00 0.00 64.86 66.17 1wry h ILE 23 Cb 0.50 0.05 -0.14 0.00 -0.74 0.00 0.00 36.82 36.49 1wry h ILE 23 CO -0.60 0.00 -0.50 0.11 0.00 0.00 0.00 178.15 177.17 1wry h LYS 24 N -1.30 -0.00 0.66 2.37 1.57 -0.51 1.18 116.57 120.54 1wry h LYS 24 Ca -0.13 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 1wry h LYS 24 Cb 0.97 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.28 1wry h LYS 24 CO 0.21 -0.00 -0.41 -0.22 -0.57 0.00 0.00 179.45 178.46 1wry h LYS 25 N -0.00 -0.97 -0.90 3.15 3.64 -0.02 0.26 116.57 121.72 1wry h LYS 25 Ca 0.25 0.07 0.10 0.00 -1.27 0.00 0.00 60.65 59.79 1wry h LYS 25 Cb 0.50 0.22 -0.12 0.00 -0.41 0.00 0.00 32.23 32.42 1wry h LYS 25 CO -0.96 -0.65 -0.54 0.87 -2.27 0.00 0.00 179.45 175.90 1wry h LYS 26 N -1.01 -0.06 -0.24 1.90 1.57 0.17 1.41 116.57 120.31 1wry h LYS 26 Ca -0.09 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.76 1wry h LYS 26 Cb 0.81 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 33.07 1wry h LYS 26 CO 0.08 -0.04 -0.20 1.96 -0.57 0.00 0.00 179.45 180.68 1wry h GLN 27 N -0.06 -0.19 0.00 3.15 4.20 0.15 0.45 115.11 122.80 1wry h GLN 27 Ca 0.19 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.91 1wry h GLN 27 Cb 0.48 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.30 1wry h GLN 27 CO -0.89 -0.13 -0.00 1.96 -0.67 0.00 0.00 178.83 179.09 1wry h GLN 28 N -0.20 0.00 0.05 1.46 4.20 0.31 0.24 115.11 121.17 1wry h GLN 28 Ca 0.14 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.61 1wry h GLN 28 Cb 0.41 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1wry h GLN 28 CO -0.36 0.00 -1.04 0.22 -0.67 0.00 0.00 178.83 176.98 1wry h ASP 29 N 0.00 0.32 0.73 1.46 3.58 0.62 0.47 116.42 123.60 1wry h ASP 29 Ca -0.00 -0.30 -0.26 0.00 0.42 0.00 0.00 57.03 56.89 1wry h ASP 29 Cb 0.08 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.02 1wry h ASP 29 CO 0.00 1.17 -1.23 0.58 -2.88 0.00 0.00 179.24 176.88 1wry h VAL 30 N 0.10 1.49 0.02 2.25 2.07 0.10 -2.95 116.25 119.32 1wry h VAL 30 Ca -0.08 -3.14 -0.00 0.00 0.82 0.00 0.00 66.70 64.31 1wry h VAL 30 Cb 1.73 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 34.35 1wry h VAL 30 CO 0.16 0.89 -0.01 -0.07 0.02 0.00 0.00 177.57 178.56 1wry h LEU 31 N 0.04 -0.02 -1.19 2.57 3.38 -0.66 -3.03 115.31 116.39 1wry h LEU 31 Ca -0.11 -0.64 0.23 0.00 0.09 0.00 0.00 57.88 57.44 1wry h LEU 31 Cb 1.91 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 42.56 1wry h LEU 31 CO 0.16 0.77 0.63 1.23 0.09 0.00 0.00 178.44 181.32 1wry h GLY 32 N -0.96 1.50 0.80 0.83 0.00 -0.18 0.17 103.07 105.22 1wry h GLY 32 Ca -0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1wry h GLY 32 CO 0.00 -0.12 -0.10 -2.75 0.00 0.00 0.00 176.54 173.58 1wry h PHE 33 N 0.55 -0.25 0.00 5.60 3.57 -1.60 0.69 116.94 125.51 1wry h PHE 33 Ca 0.59 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.08 1wry h PHE 33 Cb 1.21 0.08 0.00 0.00 2.79 0.00 0.00 35.95 40.04 1wry h PHE 33 CO -0.00 -0.00 0.00 -0.07 -2.23 0.00 0.00 178.31 176.00 1wry h LEU 34 N -0.47 0.00 0.11 0.59 3.38 -1.01 0.48 115.31 118.39 1wry h LEU 34 Ca -0.03 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.64 1wry h LEU 34 Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1wry h LEU 34 CO 0.05 0.00 -1.60 -0.33 0.09 0.00 0.00 178.44 176.64 1wry h GLU 35 N 0.00 0.24 -0.03 1.13 5.08 -0.05 1.07 114.58 122.02 1wry h GLU 35 Ca 0.00 -0.41 -0.13 0.00 -1.00 0.00 0.00 59.36 57.82 1wry h GLU 35 Cb 0.16 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1wry h GLU 35 CO 0.00 1.19 -0.60 0.00 -1.00 0.00 0.00 179.01 178.61 1wry h ALA 36 N -0.05 0.96 -0.08 3.43 0.00 0.11 -2.16 119.26 121.47 1wry h ALA 36 Ca -0.35 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.02 1wry h ALA 36 Cb 1.82 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1wry h ALA 36 CO 0.05 0.74 0.00 0.09 0.00 0.00 0.00 179.25 180.12 1wry n ASN 37 N -3.85 1.36 -3.82 0.00 3.02 0.16 -4.93 115.26 107.20 1wry n ASN 37 Ca -0.02 -1.55 -0.29 0.00 -0.03 0.00 0.00 54.58 52.69 1wry n ASN 37 Cb 0.60 -0.05 0.01 0.00 -0.61 0.00 0.00 39.78 39.74 1wry n ASN 37 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1wry n LYS 38 N 0.09 -2.37 -3.71 3.52 5.02 -0.81 -4.95 118.16 114.94 1wry n LYS 38 Ca 0.18 0.43 -0.32 0.00 -2.02 0.00 0.00 58.31 56.58 1wry n LYS 38 Cb 0.30 -4.31 -0.05 0.00 -0.02 0.00 0.00 35.03 30.96 1wry n LYS 38 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1wry s ILE 39 N -3.71 5.20 -1.30 -0.18 1.01 0.37 -5.01 121.20 117.59 1wry s ILE 39 Ca 0.23 -0.02 -0.13 0.00 0.00 0.00 0.00 60.65 60.73 1wry s ILE 39 Cb -0.09 -3.62 0.13 0.00 0.01 0.00 0.00 42.46 38.89 1wry s ILE 39 CO 0.87 0.07 1.80 0.61 0.00 0.00 0.00 174.94 178.29 1wry n GLY 40 N 0.16 3.93 3.91 6.18 0.00 -1.26 -4.75 105.19 113.35 1wry n GLY 40 Ca -0.03 -1.86 -0.24 0.00 0.00 0.00 0.00 46.02 43.89 1wry n GLY 40 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1wry s PHE 41 N 1.95 1.90 0.07 1.61 -0.71 -1.26 -2.72 117.98 118.83 1wry s PHE 41 Ca 0.45 -0.73 0.05 0.00 -1.04 0.00 0.00 56.93 55.65 1wry s PHE 41 Cb 0.06 -2.01 -0.03 0.00 -1.21 0.00 0.00 43.02 39.83 1wry s PHE 41 CO -0.00 -0.45 -0.13 -1.21 -1.34 0.00 0.00 175.22 172.09 1wry s GLU 42 N -4.28 0.80 -0.37 1.99 0.41 0.54 -4.85 118.70 112.95 1wry s GLU 42 Ca 0.41 -0.96 -0.10 0.00 -0.41 0.00 0.00 54.97 53.91 1wry s GLU 42 Cb -0.03 -0.77 0.03 0.00 -1.78 0.00 0.00 34.13 31.58 1wry s GLU 42 CO 0.25 0.17 0.19 -1.21 -0.49 0.00 0.00 175.26 174.16 1wry s GLU 43 N -1.82 2.80 -0.25 1.61 2.02 -1.26 -1.08 118.70 120.72 1wry s GLU 43 Ca -0.02 -1.09 -0.05 0.00 0.02 0.00 0.00 54.97 53.83 1wry s GLU 43 Cb -0.09 -3.68 -0.00 0.00 0.10 0.00 0.00 34.13 30.45 1wry s GLU 43 CO 0.02 -0.69 0.02 0.15 0.02 0.00 0.00 175.26 174.78 1wry s LYS 44 N 1.53 3.28 -0.07 1.61 -0.14 0.25 -4.96 119.74 121.24 1wry s LYS 44 Ca 0.01 -0.71 -0.22 0.00 -1.36 0.00 0.00 55.97 53.69 1wry s LYS 44 Cb -0.19 -3.18 -0.04 0.00 -1.68 0.00 0.00 37.83 32.73 1wry s LYS 44 CO 0.06 -0.30 0.65 0.34 -0.76 0.00 0.00 175.35 175.35 1wry s ASP 45 N 1.50 6.94 -0.02 2.83 -1.08 -1.25 0.17 116.67 125.76 1wry s ASP 45 Ca 0.04 1.13 0.17 0.00 -0.52 0.00 0.00 52.55 53.37 1wry s ASP 45 Cb -0.16 -2.39 -0.25 0.00 -1.46 0.00 0.00 42.92 38.66 1wry s ASP 45 CO -0.00 -0.07 0.45 2.30 0.52 0.00 0.00 175.17 178.36 1wry n ILE 46 N 3.64 0.00 0.00 4.11 -5.35 0.63 -4.04 119.36 118.35 1wry n ILE 46 Ca -0.03 -0.34 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 1wry n ILE 46 Cb 0.51 0.28 0.00 0.00 -1.74 0.00 0.00 39.64 38.69 1wry n ILE 46 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wry n ALA 47 N -1.97 -0.44 -0.82 -1.28 0.00 -1.25 -4.37 120.51 110.38 1wry n ALA 47 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1wry n ALA 47 Cb 0.42 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.87 1wry n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wry n ALA 48 N -1.87 -0.06 -1.63 0.00 0.00 -1.26 -4.63 120.51 111.05 1wry n ALA 48 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 53.44 52.93 1wry n ALA 48 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1wry n ALA 48 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1wry n ASN 49 N -0.77 2.94 -0.07 0.00 5.15 -1.26 -4.85 115.26 116.40 1wry n ASN 49 Ca 0.00 0.83 -0.14 0.00 -0.60 0.00 0.00 54.58 54.68 1wry n ASN 49 Cb 0.00 -1.31 -0.11 0.00 -0.53 0.00 0.00 39.78 37.83 1wry n ASN 49 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1wry h GLU 50 N 9.81 0.00 -0.96 1.20 4.81 -1.82 -3.26 114.58 124.36 1wry h GLU 50 Ca -0.43 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 58.98 1wry h GLU 50 Cb 1.29 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 30.50 1wry h GLU 50 CO 0.97 0.86 -0.29 1.05 -0.73 0.00 0.00 179.01 180.87 1wry h GLU 51 N -1.00 -0.01 0.00 1.92 4.11 -1.93 1.41 114.58 119.09 1wry h GLU 51 Ca -0.06 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.40 1wry h GLU 51 Cb 0.93 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.14 1wry h GLU 51 CO -0.04 -0.00 -0.26 -0.91 0.07 0.00 0.00 179.01 177.87 1wry h ASN 52 N -0.01 -0.76 0.40 3.06 4.21 -1.87 1.48 115.58 122.09 1wry h ASN 52 Ca 0.42 0.10 -0.02 0.00 1.21 0.00 0.00 56.30 58.02 1wry h ASN 52 Cb 0.67 0.31 -0.00 0.00 -1.12 0.00 0.00 38.32 38.18 1wry h ASN 52 CO -0.98 -0.33 -0.22 -0.09 -1.29 0.00 0.00 177.43 174.52 1wry h ARG 53 N -0.40 -0.56 0.25 0.81 2.43 -0.05 0.22 114.38 117.08 1wry h ARG 53 Ca 0.06 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1wry h ARG 53 Cb 0.48 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 1wry h ARG 53 CO -0.23 -0.37 -0.24 -0.22 -1.51 0.00 0.00 179.97 177.40 1wry h LYS 54 N -0.58 -0.47 -0.89 0.20 3.64 0.19 0.62 116.57 119.28 1wry h LYS 54 Ca -0.05 0.03 0.13 0.00 -1.27 0.00 0.00 60.65 59.50 1wry h LYS 54 Cb 0.47 0.11 -0.14 0.00 -0.41 0.00 0.00 32.23 32.25 1wry h LYS 54 CO 0.06 -0.31 -0.41 2.35 -2.27 0.00 0.00 179.45 178.87 1wry h TRP 55 N -0.49 -1.19 -0.75 1.91 7.01 0.21 1.13 115.95 123.78 1wry h TRP 55 Ca -0.03 0.10 0.12 0.00 2.11 0.00 0.00 58.89 61.18 1wry h TRP 55 Cb 0.42 0.65 -0.08 0.00 -2.10 0.00 0.00 29.16 28.05 1wry h TRP 55 CO -0.14 -0.40 0.36 1.98 -2.79 0.00 0.00 178.44 177.45 1wry h MET 56 N -0.05 0.56 0.00 2.65 4.05 -0.15 0.56 114.93 122.55 1wry h MET 56 Ca 0.29 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.67 1wry h MET 56 Cb 0.56 -0.13 -0.00 0.00 -0.80 0.00 0.00 31.60 31.24 1wry h MET 56 CO -0.90 0.37 -0.01 0.00 0.23 0.00 0.00 176.91 176.59 1wry h ARG 57 N 0.57 0.00 0.00 0.39 3.08 0.70 0.35 114.38 119.48 1wry h ARG 57 Ca 0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.44 1wry h ARG 57 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1wry h ARG 57 CO -0.32 0.01 -1.49 0.39 -1.07 0.00 0.00 179.97 177.50 1wry n GLU 58 N -3.24 0.59 -0.08 0.04 1.02 0.16 -4.34 120.64 114.78 1wry n GLU 58 Ca -0.02 -0.05 -0.16 0.00 -0.02 0.00 0.00 57.16 56.91 1wry n GLU 58 Cb 0.13 -1.65 -0.11 0.00 -0.02 0.00 0.00 31.44 29.79 1wry n GLU 58 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1wry h ASN 59 N 0.00 0.00 -0.99 1.62 -0.26 0.17 -3.47 115.58 112.65 1wry h ASN 59 Ca 0.00 -0.69 -0.75 0.00 -0.56 0.00 0.00 56.30 54.30 1wry h ASN 59 Cb 0.96 0.00 0.07 0.00 -1.06 0.00 0.00 38.32 38.29 1wry h ASN 59 CO 0.00 1.15 -0.11 0.52 -1.06 0.00 0.00 177.43 177.93 1wry n VAL 60 N -4.55 0.57 -2.51 2.81 0.31 0.10 -4.86 118.33 110.20 1wry n VAL 60 Ca -0.18 -0.14 -0.34 0.00 -0.01 0.00 0.00 64.34 63.67 1wry n VAL 60 Cb 0.52 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.42 1wry n VAL 60 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1wry s PRO 61 N -0.28 3.77 0.43 5.55 0.04 -1.26 -4.88 135.00 138.37 1wry s PRO 61 Ca 0.83 1.35 0.30 0.00 0.04 0.00 0.00 61.00 63.51 1wry s PRO 61 Cb -1.16 -2.09 1.41 0.00 0.04 0.00 0.00 34.50 32.70 1wry s PRO 61 CO 0.56 -0.45 1.91 1.49 0.04 0.00 0.00 177.00 180.54 1wry h GLU 62 N 1.48 0.00 -0.00 4.56 4.81 -1.94 0.17 114.58 123.66 1wry h GLU 62 Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1wry h GLU 62 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1wry h GLU 62 CO 0.59 0.00 -0.23 0.09 -0.73 0.00 0.00 179.01 178.73 1wry n ASN 63 N -2.64 0.34 -0.02 1.04 3.02 -1.26 -3.41 115.26 112.34 1wry n ASN 63 Ca -0.00 -0.09 0.01 0.00 -0.03 0.00 0.00 54.58 54.47 1wry n ASN 63 Cb 0.18 -0.08 -0.01 0.00 -0.61 0.00 0.00 39.78 39.25 1wry n ASN 63 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1wry n SER 64 N -1.34 0.28 -4.78 6.41 7.64 0.28 -5.03 113.62 117.08 1wry n SER 64 Ca 0.08 -0.64 -0.37 0.00 1.01 0.00 0.00 58.87 58.96 1wry n SER 64 Cb 0.32 0.87 -0.02 0.00 -1.01 0.00 0.00 64.21 64.37 1wry n SER 64 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1wry s ARG 65 N -1.13 3.90 0.36 1.43 0.52 0.32 -4.93 118.95 119.43 1wry s ARG 65 Ca 0.01 1.64 -0.06 0.00 -0.52 0.00 0.00 55.73 56.80 1wry s ARG 65 Cb 0.02 -2.42 0.09 0.00 0.52 0.00 0.00 34.95 33.16 1wry s ARG 65 CO 0.11 -0.40 0.40 -0.35 0.02 0.00 0.00 175.30 175.08 1wry n PRO 66 N -0.39 -1.06 -0.05 3.54 -0.04 -1.26 -4.95 135.00 130.78 1wry n PRO 66 Ca 0.07 -0.63 -0.09 0.00 -0.04 0.00 0.00 63.50 62.81 1wry n PRO 66 Cb 0.49 -0.50 -0.03 0.00 -0.04 0.00 0.00 33.50 33.43 1wry n PRO 66 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wry h ALA 67 N -2.09 0.26 -1.16 0.55 0.00 -1.96 -3.46 119.26 111.41 1wry h ALA 67 Ca -0.14 0.01 0.17 0.00 0.00 0.00 0.00 54.91 54.95 1wry h ALA 67 Cb 0.40 -0.04 -0.32 0.00 0.00 0.00 0.00 17.79 17.83 1wry h ALA 67 CO 0.09 -0.30 0.77 -0.08 0.00 0.00 0.00 179.25 179.74 1wry s THR 68 N -6.17 0.00 0.00 0.00 -1.32 -1.26 -5.02 115.64 101.86 1wry s THR 68 Ca -0.13 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.35 1wry s THR 68 Cb 0.09 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.08 1wry s THR 68 CO 0.69 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.71 1wry n GLY 69 N 2.14 1.77 1.24 6.08 0.00 -1.26 -5.04 105.19 110.10 1wry n GLY 69 Ca -0.13 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.03 1wry n GLY 69 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wry n TYR 70 N -0.21 -2.95 -2.47 1.61 4.01 -1.26 -4.72 117.16 111.18 1wry n TYR 70 Ca 0.00 1.59 -0.42 0.00 -0.16 0.00 0.00 57.90 58.92 1wry n TYR 70 Cb 0.00 -2.68 -0.03 0.00 -0.31 0.00 0.00 39.34 36.32 1wry n TYR 70 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1wry s PRO 71 N -3.93 4.49 0.30 -0.72 0.04 -1.26 -4.65 135.00 129.27 1wry s PRO 71 Ca 0.00 1.73 -0.05 0.00 0.04 0.00 0.00 61.00 62.72 1wry s PRO 71 Cb 0.00 -3.33 -0.05 0.00 0.04 0.00 0.00 34.50 31.16 1wry s PRO 71 CO 0.00 -0.14 0.56 -0.48 0.04 0.00 0.00 177.00 176.98 1wry s LEU 72 N 0.61 4.04 0.84 -3.56 0.05 -1.26 -5.00 118.68 114.39 1wry s LEU 72 Ca 0.55 0.70 -0.12 0.00 0.05 0.00 0.00 54.13 55.32 1wry s LEU 72 Cb -0.29 -3.53 0.10 0.00 -2.05 0.00 0.00 46.19 40.42 1wry s LEU 72 CO 0.31 -0.22 1.11 -2.16 -0.55 0.00 0.00 176.35 174.85 1wry s PRO 73 N -3.64 1.71 0.71 1.48 0.04 -1.26 -4.57 135.00 129.48 1wry s PRO 73 Ca 0.44 0.50 -0.11 0.00 0.04 0.00 0.00 61.00 61.87 1wry s PRO 73 Cb -0.11 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.57 1wry s PRO 73 CO 0.31 -1.85 1.07 -1.25 0.04 0.00 0.00 177.00 175.32 1wry s PRO 74 N -5.21 2.79 -0.11 0.56 0.04 -1.26 -4.89 135.00 126.93 1wry s PRO 74 Ca 0.62 0.90 -0.01 0.00 0.04 0.00 0.00 61.00 62.54 1wry s PRO 74 Cb -0.15 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.45 1wry s PRO 74 CO 0.54 -1.19 -0.01 -0.65 0.04 0.00 0.00 177.00 175.73 1wry s GLN 75 N -5.06 0.83 0.05 4.56 -1.52 -1.03 -3.68 119.66 113.80 1wry s GLN 75 Ca 0.58 -0.09 -0.15 0.00 -1.95 0.00 0.00 55.36 53.75 1wry s GLN 75 Cb -0.14 -1.36 -0.06 0.00 -0.22 0.00 0.00 33.01 31.23 1wry s GLN 75 CO 0.55 -0.37 0.46 0.42 -0.25 0.00 0.00 175.29 176.10 1wry s ILE 76 N 1.88 4.94 -0.10 1.08 1.09 -0.45 0.18 121.20 129.83 1wry s ILE 76 Ca 0.04 0.89 -0.05 0.00 -1.10 0.00 0.00 60.65 60.43 1wry s ILE 76 Cb -0.13 -3.75 0.05 0.00 -1.06 0.00 0.00 42.46 37.56 1wry s ILE 76 CO -0.06 0.50 0.23 -0.36 -0.10 0.00 0.00 174.94 175.14 1wry s PHE 77 N -1.17 -0.30 -0.81 3.97 0.08 0.42 -3.00 117.98 117.16 1wry s PHE 77 Ca 0.28 0.74 -0.24 0.00 0.12 0.00 0.00 56.93 57.83 1wry s PHE 77 Cb -0.17 0.01 0.06 0.00 -0.57 0.00 0.00 43.02 42.35 1wry s PHE 77 CO 0.16 -0.23 1.21 1.21 -0.10 0.00 0.00 175.22 177.47 1wry s ASN 78 N 1.39 6.30 0.00 1.36 3.84 0.16 0.81 114.94 128.80 1wry s ASN 78 Ca -0.08 -1.04 0.00 0.00 0.21 0.00 0.00 52.86 51.95 1wry s ASN 78 Cb -0.11 -2.50 0.00 0.00 -0.55 0.00 0.00 41.25 38.09 1wry s ASN 78 CO -0.08 -1.55 0.00 -0.62 -2.79 0.00 0.00 177.10 172.06 1wry n GLU 79 N 8.43 0.00 0.00 0.43 1.02 0.75 -1.42 120.64 129.84 1wry n GLU 79 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1wry n GLU 79 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.90 1wry n GLU 79 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1wry n SER 80 N 1.19 0.00 -4.72 1.62 3.41 -1.26 -4.84 113.62 109.01 1wry n SER 80 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 1wry n SER 80 Cb 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.08 1wry n SER 80 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1wry s GLN 81 N -1.00 1.57 -0.10 4.33 -1.52 -0.51 -4.99 119.66 117.44 1wry s GLN 81 Ca 0.00 1.10 -0.06 0.00 -1.95 0.00 0.00 55.36 54.45 1wry s GLN 81 Cb 0.00 -1.82 -0.04 0.00 -0.22 0.00 0.00 33.01 30.93 1wry s GLN 81 CO 0.00 -2.11 0.13 -0.47 -0.25 0.00 0.00 175.29 172.59 1wry s TYR 82 N -2.85 3.53 -0.07 0.91 6.14 -1.26 0.39 117.35 124.14 1wry s TYR 82 Ca 0.63 0.46 -0.08 0.00 0.64 0.00 0.00 57.07 58.72 1wry s TYR 82 Cb -0.19 -1.90 -0.04 0.00 0.42 0.00 0.00 41.96 40.25 1wry s TYR 82 CO 0.57 0.69 -0.18 0.54 0.64 0.00 0.00 175.55 177.81 1wry n ARG 83 N 1.84 0.27 -3.17 4.97 5.12 -1.16 -4.83 116.66 119.70 1wry n ARG 83 Ca -0.18 0.11 0.00 0.00 -1.93 0.00 0.00 57.85 55.85 1wry n ARG 83 Cb 0.54 -0.97 0.00 0.00 -1.16 0.00 0.00 32.46 30.87 1wry n ARG 83 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wry n GLY 84 N 2.37 -1.30 1.15 -0.13 0.00 -1.25 -5.05 105.19 100.99 1wry n GLY 84 Ca -0.14 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 1wry n GLY 84 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wry n ASP 85 N 0.52 2.21 -0.39 1.61 5.75 -1.26 -1.34 116.55 123.65 1wry n ASP 85 Ca 0.00 -1.67 0.32 0.00 -0.01 0.00 0.00 54.79 53.43 1wry n ASP 85 Cb 0.00 0.08 0.61 0.00 -1.03 0.00 0.00 41.12 40.78 1wry n ASP 85 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 1wry h TYR 86 N 0.95 0.48 0.46 2.11 5.03 -1.92 0.64 116.97 124.72 1wry h TYR 86 Ca -0.13 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.18 1wry h TYR 86 Cb 0.40 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 38.55 1wry h TYR 86 CO 0.00 -0.06 -0.22 -0.44 -1.32 0.00 0.00 178.16 176.12 1wry h ASP 87 N 0.19 -0.52 -0.34 -2.11 5.19 -1.94 0.14 116.42 117.04 1wry h ASP 87 Ca 0.70 -0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 57.04 1wry h ASP 87 Cb 2.16 0.13 -0.02 0.00 0.18 0.00 0.00 39.33 41.78 1wry h ASP 87 CO -0.30 -0.32 0.03 0.00 -3.12 0.00 0.00 179.24 175.53 1wry h ALA 88 N -0.15 1.24 -0.26 3.45 0.00 -0.76 -1.45 119.26 121.34 1wry h ALA 88 Ca -0.06 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.64 1wry h ALA 88 Cb 0.50 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1wry h ALA 88 CO 0.10 0.51 0.14 0.35 0.00 0.00 0.00 179.25 180.35 1wry h PHE 89 N 0.65 0.26 0.15 0.00 3.57 0.42 0.17 116.94 122.16 1wry h PHE 89 Ca 0.14 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1wry h PHE 89 Cb 0.36 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1wry h PHE 89 CO 0.02 0.15 -0.07 0.35 -2.23 0.00 0.00 178.31 176.53 1wry h PHE 90 N 0.29 -0.19 0.16 0.41 3.57 -0.42 -1.90 116.94 118.86 1wry h PHE 90 Ca 0.10 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.61 1wry h PHE 90 Cb 0.01 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.77 1wry h PHE 90 CO -0.09 0.07 -0.40 1.49 -2.23 0.00 0.00 178.31 177.16 1wry h GLU 91 N -0.44 -0.63 -0.53 1.11 4.81 -1.15 0.36 114.58 118.11 1wry h GLU 91 Ca -0.02 0.04 0.15 0.00 -0.13 0.00 0.00 59.36 59.41 1wry h GLU 91 Cb 0.35 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 1wry h GLU 91 CO 0.03 -0.42 0.49 0.00 -0.73 0.00 0.00 179.01 178.38 1wry h ALA 92 N -0.16 2.33 0.05 2.92 0.00 -0.68 0.28 119.26 124.00 1wry h ALA 92 Ca 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1wry h ALA 92 Cb 0.67 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1wry h ALA 92 CO -0.21 -0.76 -0.02 -0.09 0.00 0.00 0.00 179.25 178.17 1wry h ARG 93 N 0.00 -0.06 -1.00 0.00 2.43 0.18 1.58 114.38 117.51 1wry h ARG 93 Ca 0.25 0.00 0.18 0.00 -0.81 0.00 0.00 59.98 59.60 1wry h ARG 93 Cb 1.23 0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 30.69 1wry h ARG 93 CO -0.00 0.58 0.61 0.93 -1.51 0.00 0.00 179.97 180.58 1wry h GLU 94 N -0.83 0.78 -0.44 0.20 4.39 0.15 1.43 114.58 120.26 1wry h GLU 94 Ca -0.01 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1wry h GLU 94 Cb 0.67 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1wry h GLU 94 CO 0.01 0.52 0.00 0.09 -1.16 0.00 0.00 179.01 178.47 1wry n ASN 95 N -4.74 1.91 -4.19 1.42 3.02 -0.42 -4.90 115.26 107.36 1wry n ASN 95 Ca 0.22 -2.10 -0.38 0.00 -0.03 0.00 0.00 54.58 52.29 1wry n ASN 95 Cb 0.53 -0.30 -0.04 0.00 -0.61 0.00 0.00 39.78 39.36 1wry n ASN 95 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1wry n ASN 96 N 0.32 -1.42 -0.24 6.41 3.02 0.49 -4.80 115.26 119.04 1wry n ASN 96 Ca 0.10 -1.28 0.00 0.00 -0.03 0.00 0.00 54.58 53.38 1wry n ASN 96 Cb 0.35 -1.70 0.01 0.00 -0.61 0.00 0.00 39.78 37.82 1wry n ASN 96 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wry n ALA 97 N -4.79 1.58 -0.21 5.41 0.00 0.51 -4.09 120.51 118.91 1wry n ALA 97 Ca -0.23 -0.85 -0.06 0.00 0.00 0.00 0.00 53.44 52.30 1wry n ALA 97 Cb 0.64 -0.26 -0.00 0.00 0.00 0.00 0.00 19.45 19.83 1wry n ALA 97 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1wry h VAL 98 N 4.69 0.15 -0.82 0.00 2.07 -0.93 0.33 116.25 121.73 1wry h VAL 98 Ca 0.00 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.72 1wry h VAL 98 Cb 1.17 0.15 -0.14 0.00 -1.52 0.00 0.00 31.29 30.95 1wry h VAL 98 CO 0.00 0.00 0.06 1.88 0.02 0.00 0.00 177.57 179.53 1wry h TYR 99 N -0.17 0.05 -0.77 1.57 0.05 -1.89 0.80 116.97 116.60 1wry h TYR 99 Ca 0.22 0.06 -0.05 0.00 0.05 0.00 0.00 58.73 59.01 1wry h TYR 99 Cb 0.56 0.11 -0.03 0.00 1.01 0.00 0.00 36.73 38.37 1wry h TYR 99 CO -0.66 -0.26 0.28 0.00 -1.05 0.00 0.00 178.16 176.47 1wry h ALA 100 N 1.77 1.01 0.00 3.88 0.00 -0.64 0.80 119.26 126.07 1wry h ALA 100 Ca 0.47 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1wry h ALA 100 Cb 0.89 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1wry h ALA 100 CO -0.70 0.66 0.00 0.34 0.00 0.00 0.00 179.25 179.55 1wry n PHE 101 N -4.27 0.15 0.29 0.00 7.35 0.25 -1.42 117.46 119.81 1wry n PHE 101 Ca 0.07 0.06 0.05 0.00 -0.76 0.00 0.00 57.45 56.86 1wry n PHE 101 Cb 0.21 -0.60 0.05 0.00 0.35 0.00 0.00 39.48 39.49 1wry n PHE 101 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1wry n LEU 102 N -1.64 1.93 -0.56 -2.13 4.77 0.68 -4.79 117.00 115.26 1wry n LEU 102 Ca 0.03 -1.17 -0.07 0.00 -0.03 0.00 0.00 56.01 54.77 1wry n LEU 102 Cb 0.18 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 1wry n LEU 102 CO 0.15 0.40 -0.07 0.61 -1.33 0.00 0.00 177.39 177.15 1wry n GLY 103 N 0.48 0.87 2.29 -0.72 0.00 0.40 -4.92 105.19 103.58 1wry n GLY 103 Ca 0.06 -0.25 -0.14 0.00 0.00 0.00 0.00 46.02 45.68 1wry n GLY 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wry n LEU 104 N -0.83 0.00 -4.47 0.99 4.77 0.25 -4.97 117.00 112.75 1wry n LEU 104 Ca -0.07 -1.17 -0.31 0.00 -0.03 0.00 0.00 56.01 54.42 1wry n LEU 104 Cb 0.37 -0.42 -0.13 0.00 -2.33 0.00 0.00 43.42 40.91 1wry n LEU 104 CO 0.11 -0.84 -0.48 -0.89 -1.33 0.00 0.00 177.39 173.96 1wry s THR 105 N -1.92 2.89 0.22 -5.08 2.01 -1.26 -4.26 115.64 108.25 1wry s THR 105 Ca 0.40 -1.05 -0.08 0.00 0.31 0.00 0.00 61.69 61.27 1wry s THR 105 Cb -0.02 -2.20 -0.07 0.00 0.01 0.00 0.00 72.50 70.23 1wry s THR 105 CO 0.27 0.40 0.53 0.00 -0.69 0.00 0.00 174.62 175.13 1wry s ALA 106 N -0.88 3.60 0.41 7.40 0.00 -1.26 -4.99 121.76 126.05 1wry s ALA 106 Ca 0.14 -0.34 -0.23 0.00 0.00 0.00 0.00 51.96 51.52 1wry s ALA 106 Cb -0.11 -2.38 -0.09 0.00 0.00 0.00 0.00 23.12 20.55 1wry s ALA 106 CO 0.04 0.50 1.05 -1.25 0.00 0.00 0.00 175.76 176.11 1wry s PRO 107 N -2.87 4.10 -1.20 0.00 0.04 -1.26 -4.93 135.00 128.88 1wry s PRO 107 Ca 0.46 1.51 -0.20 0.00 0.04 0.00 0.00 61.00 62.81 1wry s PRO 107 Cb -0.11 -2.48 -0.02 0.00 0.04 0.00 0.00 34.50 31.92 1wry s PRO 107 CO 0.23 -0.20 1.91 -0.35 0.04 0.00 0.00 177.00 178.63 1wry n PRO 108 N -0.20 2.34 0.00 0.56 -0.04 -1.26 -3.28 135.00 133.12 1wry n PRO 108 Ca 0.06 -2.68 0.00 0.00 -0.04 0.00 0.00 63.50 60.84 1wry n PRO 108 Cb 0.50 -3.45 0.00 0.00 -0.04 0.00 0.00 33.50 30.50 1wry n PRO 108 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wry n GLY 109 N 5.20 0.00 3.31 0.55 0.00 -1.26 -5.13 105.19 107.86 1wry n GLY 109 Ca 0.48 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.41 1wry n GLY 109 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wry s SER 110 N 0.00 -0.02 0.27 1.61 0.01 -1.21 -5.00 113.70 109.36 1wry s SER 110 Ca 0.00 -0.65 -0.03 0.00 1.31 0.00 0.00 55.95 56.58 1wry s SER 110 Cb 0.00 0.43 0.56 0.00 0.21 0.00 0.00 66.02 67.22 1wry s SER 110 CO 0.00 -0.85 1.63 0.11 0.41 0.00 0.00 173.24 174.54 1wry h LYS 111 N 2.53 0.13 -0.86 12.44 1.79 -1.94 1.58 116.57 132.25 1wry h LYS 111 Ca -0.32 -0.01 0.16 0.00 -2.18 0.00 0.00 60.65 58.30 1wry h LYS 111 Cb 1.23 -0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 31.78 1wry h LYS 111 CO 0.49 0.09 0.56 0.93 -1.08 0.00 0.00 179.45 180.44 1wry h GLU 112 N 0.14 0.54 0.12 3.15 3.07 -1.91 1.35 114.58 121.02 1wry h GLU 112 Ca 0.48 -0.03 -0.31 0.00 -0.50 0.00 0.00 59.36 59.00 1wry h GLU 112 Cb 0.91 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.69 1wry h GLU 112 CO -0.68 0.36 -1.54 0.00 -1.40 0.00 0.00 179.01 175.74 1wry h ALA 113 N 1.62 0.28 0.62 3.43 0.00 0.15 -3.29 119.26 122.06 1wry h ALA 113 Ca 0.43 -1.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.20 1wry h ALA 113 Cb 0.86 0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.94 1wry h ALA 113 CO -0.18 1.15 -0.30 0.93 0.00 0.00 0.00 179.25 180.85 1wry h GLU 114 N 0.07 -0.80 -1.37 0.00 5.08 0.34 -0.38 114.58 117.52 1wry h GLU 114 Ca -0.25 0.05 0.40 0.00 -1.00 0.00 0.00 59.36 58.57 1wry h GLU 114 Cb 2.02 0.18 -0.05 0.00 0.50 0.00 0.00 28.75 31.39 1wry h GLU 114 CO 0.16 -0.50 1.07 -0.39 -1.00 0.00 0.00 179.01 178.35 1wry h VAL 115 N -1.14 0.21 0.06 3.13 -1.51 0.15 -0.38 116.25 116.77 1wry h VAL 115 Ca -0.09 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.38 1wry h VAL 115 Cb 0.68 0.23 0.00 0.00 -2.13 0.00 0.00 31.29 30.07 1wry h VAL 115 CO 0.14 0.00 -0.03 0.28 -1.23 0.00 0.00 177.57 176.73 1wry h SER 116 N 0.00 -0.06 -5.11 4.19 0.02 -1.55 -3.49 113.55 107.54 1wry h SER 116 Ca 0.65 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.49 1wry h SER 116 Cb 2.77 0.02 -0.16 0.00 0.14 0.00 0.00 62.40 65.17 1wry h SER 116 CO -0.01 0.16 -0.46 -0.83 -1.14 0.00 0.00 176.83 174.56 1wry s GLY 117 N -2.59 0.14 -0.05 -3.77 0.00 -0.15 -5.05 107.32 95.84 1wry s GLY 117 Ca -0.01 -0.55 -0.25 0.00 0.00 0.00 0.00 44.72 43.91 1wry s GLY 117 CO 0.03 -0.71 1.05 -0.56 0.00 0.00 0.00 173.10 172.92 1wry h PRO 118 N 3.31 0.14 0.00 2.90 0.13 -1.83 -3.33 132.00 133.31 1wry h PRO 118 Ca -0.33 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1wry h PRO 118 Cb 1.19 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1wry h PRO 118 CO 0.53 0.85 0.00 0.43 -0.23 0.00 0.00 178.00 179.58 1wry n SER 119 N -4.58 0.00 -4.86 1.44 7.64 -1.26 -4.97 113.62 107.04 1wry n SER 119 Ca -0.09 0.19 -0.31 0.00 1.01 0.00 0.00 58.87 59.67 1wry n SER 119 Cb 0.45 -0.42 0.04 0.00 -1.01 0.00 0.00 64.21 63.27 1wry n SER 119 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wry s SER 120 N -3.14 5.60 0.00 6.43 0.15 -1.26 -5.05 113.70 116.43 1wry s SER 120 Ca 0.00 1.33 0.00 0.00 0.70 0.00 0.00 55.95 57.98 1wry s SER 120 Cb 0.00 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 62.08 1wry s SER 120 CO 0.00 -1.27 0.00 0.61 1.20 0.00 0.00 173.24 173.78