#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 -0.46 -0.01 1.61 0.15 -1.26 -5.17 113.70 108.56 1wry s SER 2 Ca 0.00 -0.02 -0.08 0.00 0.70 0.00 0.00 55.95 56.55 1wry s SER 2 Cb 0.00 1.10 0.01 0.00 -1.71 0.00 0.00 66.02 65.42 1wry s SER 2 CO 0.00 -0.08 0.17 -0.94 1.20 0.00 0.00 173.24 173.59 1wry s SER 3 N 2.69 -0.02 0.00 5.45 1.04 -1.26 -5.13 113.70 116.46 1wry s SER 3 Ca 0.24 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.56 1wry s SER 3 Cb -0.01 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1wry s SER 3 CO -0.21 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.27 1wry n GLY 4 N 1.56 -0.09 3.37 7.32 0.00 -1.26 -5.11 105.19 110.98 1wry n GLY 4 Ca -0.22 -2.29 -0.15 0.00 0.00 0.00 0.00 46.02 43.37 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 -0.48 -0.39 0.05 1.61 0.15 -1.26 -5.09 113.70 108.29 1wry s SER 5 Ca 0.00 0.27 -0.02 0.00 0.70 0.00 0.00 55.95 56.90 1wry s SER 5 Cb 0.00 0.43 -0.01 0.00 -1.71 0.00 0.00 66.02 64.74 1wry s SER 5 CO 0.00 -0.59 -0.04 -0.24 1.20 0.00 0.00 173.24 173.57 1wry n SER 6 N 0.86 1.06 -3.02 5.45 2.88 -1.26 -5.14 113.62 114.46 1wry n SER 6 Ca -0.20 0.14 -0.11 0.00 -1.33 0.00 0.00 58.87 57.38 1wry n SER 6 Cb 0.58 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 1wry n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wry s GLY 7 N -3.97 0.73 -0.49 0.46 0.00 -1.26 -5.12 107.32 97.67 1wry s GLY 7 Ca -0.04 -0.99 0.03 0.00 0.00 0.00 0.00 44.72 43.72 1wry s GLY 7 CO 0.05 -0.53 0.33 1.06 0.00 0.00 0.00 173.10 174.02 1wry s MET 8 N -2.54 1.41 0.32 2.90 1.00 -1.26 -5.06 119.30 116.07 1wry s MET 8 Ca 0.20 -2.32 -0.27 0.00 0.00 0.00 0.00 55.69 53.30 1wry s MET 8 Cb -0.04 -2.26 -0.09 0.00 0.00 0.00 0.00 34.83 32.44 1wry s MET 8 CO 0.14 -1.26 1.03 0.08 0.00 0.00 0.00 175.02 175.01 1wry s VAL 9 N -0.12 3.77 -0.39 -6.03 1.01 -1.26 -4.93 120.40 112.44 1wry s VAL 9 Ca 0.24 1.58 -0.11 0.00 0.00 0.00 0.00 61.98 63.69 1wry s VAL 9 Cb -0.11 -3.92 0.05 0.00 0.00 0.00 0.00 36.38 32.39 1wry s VAL 9 CO -0.10 0.22 0.24 -0.63 0.00 0.00 0.00 175.10 174.83 1wry s ILE 10 N -1.41 4.54 -0.22 2.22 -1.09 -1.05 -0.53 121.20 123.66 1wry s ILE 10 Ca 0.49 -1.02 -0.10 0.00 -2.23 0.00 0.00 60.65 57.79 1wry s ILE 10 Cb -0.25 -3.61 -0.05 0.00 -1.58 0.00 0.00 42.46 36.96 1wry s ILE 10 CO 0.32 -0.34 0.14 -0.13 -1.23 0.00 0.00 174.94 173.70 1wry s ARG 11 N 1.53 4.08 -0.16 2.79 0.52 0.27 0.21 118.95 128.19 1wry s ARG 11 Ca 0.02 -0.27 -0.01 0.00 -0.52 0.00 0.00 55.73 54.95 1wry s ARG 11 Cb -0.21 -3.47 -0.01 0.00 0.52 0.00 0.00 34.95 31.78 1wry s ARG 11 CO 0.05 0.14 -0.10 0.08 0.02 0.00 0.00 175.30 175.49 1wry s VAL 12 N 0.82 3.14 -0.59 3.52 1.01 0.82 0.11 120.40 129.23 1wry s VAL 12 Ca 0.07 -0.61 -0.15 0.00 0.00 0.00 0.00 61.98 61.29 1wry s VAL 12 Cb -0.13 -2.35 0.15 0.00 0.00 0.00 0.00 36.38 34.04 1wry s VAL 12 CO 0.02 0.50 0.54 -0.31 0.00 0.00 0.00 175.10 175.85 1wry s TYR 13 N 0.71 3.36 0.58 5.22 1.51 0.11 0.13 117.35 128.97 1wry s TYR 13 Ca -0.05 -1.48 0.07 0.00 -1.01 0.00 0.00 57.07 54.61 1wry s TYR 13 Cb -0.15 -3.78 0.07 0.00 -0.11 0.00 0.00 41.96 37.99 1wry s TYR 13 CO 0.02 -1.01 0.60 0.96 -1.11 0.00 0.00 175.55 175.01 1wry s ILE 14 N 1.30 1.77 -0.54 2.71 -4.36 0.56 -2.82 121.20 119.81 1wry s ILE 14 Ca 0.06 -1.26 0.07 0.00 -0.26 0.00 0.00 60.65 59.26 1wry s ILE 14 Cb -0.26 -2.03 0.28 0.00 1.25 0.00 0.00 42.46 41.69 1wry s ILE 14 CO 0.00 0.00 0.73 0.00 0.24 0.00 0.00 174.94 175.91 1wry n ALA 15 N -2.03 3.60 -0.23 2.27 0.00 -1.26 0.20 120.51 123.05 1wry n ALA 15 Ca 0.07 -4.31 0.15 0.00 0.00 0.00 0.00 53.44 49.35 1wry n ALA 15 Cb 0.63 -0.85 0.28 0.00 0.00 0.00 0.00 19.45 19.52 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 0.73 0.04 -3.87 0.00 2.88 -1.26 -0.40 113.62 111.74 1wry n SER 16 Ca 0.28 1.17 -0.42 0.00 -1.33 0.00 0.00 58.87 58.56 1wry n SER 16 Cb 0.46 -0.48 0.01 0.00 -0.75 0.00 0.00 64.21 63.44 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 -4.80 5.53 -2.42 -3.46 2.88 -1.26 -4.95 113.62 105.14 1wry n SER 17 Ca 0.20 -3.19 -0.03 0.00 -1.33 0.00 0.00 58.87 54.52 1wry n SER 17 Cb 0.67 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.72 1wry n SER 17 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wry n SER 18 N 3.14 0.83 -2.77 -3.46 2.88 0.46 -4.83 113.62 109.87 1wry n SER 18 Ca 0.37 -1.25 -0.01 0.00 -1.33 0.00 0.00 58.87 56.65 1wry n SER 18 Cb 0.35 -0.03 0.07 0.00 -0.75 0.00 0.00 64.21 63.85 1wry n SER 18 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wry n GLY 19 N 4.01 1.82 3.12 0.46 0.00 -1.26 -5.05 105.19 108.30 1wry n GLY 19 Ca 0.01 -0.79 -0.02 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.91 -0.76 0.25 1.61 0.01 -1.26 -5.03 113.70 105.60 1wry s SER 20 Ca 0.22 0.73 -0.07 0.00 1.31 0.00 0.00 55.95 58.14 1wry s SER 20 Cb 0.37 1.78 0.45 0.00 0.21 0.00 0.00 66.02 68.83 1wry s SER 20 CO -0.06 -0.27 1.63 0.74 0.41 0.00 0.00 173.24 175.70 1wry h THR 21 N 6.07 0.34 -0.70 1.44 2.02 -1.98 0.44 112.91 120.53 1wry h THR 21 Ca -0.21 -0.04 0.09 0.00 0.77 0.00 0.00 66.41 67.03 1wry h THR 21 Cb 1.15 0.22 -0.11 0.00 -1.74 0.00 0.00 68.15 67.67 1wry h THR 21 CO 0.24 0.02 -0.48 0.00 0.37 0.00 0.00 175.52 175.67 1wry h ALA 22 N 1.71 -0.39 0.33 6.16 0.00 -1.98 0.92 119.26 126.02 1wry h ALA 22 Ca 0.42 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.44 1wry h ALA 22 Cb 0.74 1.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 1wry h ALA 22 CO -0.67 -0.87 -0.32 0.82 0.00 0.00 0.00 179.25 178.21 1wry h ILE 23 N -0.17 0.00 -0.99 0.00 2.04 -1.29 0.73 117.51 117.83 1wry h ILE 23 Ca 0.18 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.23 1wry h ILE 23 Cb 0.54 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.43 1wry h ILE 23 CO -0.77 0.00 -0.26 0.11 0.00 0.00 0.00 178.15 177.22 1wry h LYS 24 N -0.65 -0.00 0.45 2.37 1.57 -0.33 0.90 116.57 120.89 1wry h LYS 24 Ca -0.04 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1wry h LYS 24 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1wry h LYS 24 CO -0.03 -0.00 -0.21 -0.22 -0.57 0.00 0.00 179.45 178.41 1wry h LYS 25 N -0.00 -0.58 -0.97 3.15 3.64 0.14 0.15 116.57 122.10 1wry h LYS 25 Ca 0.46 0.04 0.12 0.00 -1.27 0.00 0.00 60.65 60.00 1wry h LYS 25 Cb 0.71 0.13 -0.14 0.00 -0.41 0.00 0.00 32.23 32.52 1wry h LYS 25 CO -1.01 -0.38 -0.48 0.87 -2.27 0.00 0.00 179.45 176.18 1wry h LYS 26 N -0.61 -0.02 -0.29 1.90 1.57 0.24 1.51 116.57 120.87 1wry h LYS 26 Ca -0.06 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.79 1wry h LYS 26 Cb 0.46 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.70 1wry h LYS 26 CO 0.10 -0.01 -0.21 1.96 -0.57 0.00 0.00 179.45 180.72 1wry h GLN 27 N -0.02 -0.18 0.00 3.15 4.20 0.81 0.47 115.11 123.54 1wry h GLN 27 Ca 0.26 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.97 1wry h GLN 27 Cb 0.52 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.34 1wry h GLN 27 CO -0.95 -0.12 -0.05 1.96 -0.67 0.00 0.00 178.83 179.00 1wry h GLN 28 N -0.19 0.00 0.01 1.46 4.20 0.28 0.15 115.11 121.02 1wry h GLN 28 Ca 0.15 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.66 1wry h GLN 28 Cb 0.43 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 1wry h GLN 28 CO -0.40 0.05 -0.92 0.22 -0.67 0.00 0.00 178.83 177.11 1wry h ASP 29 N 0.00 0.26 0.86 1.46 3.58 0.62 0.51 116.42 123.71 1wry h ASP 29 Ca -0.00 -0.22 -0.23 0.00 0.42 0.00 0.00 57.03 57.00 1wry h ASP 29 Cb 0.22 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 1wry h ASP 29 CO 0.01 1.04 -1.13 0.58 -2.88 0.00 0.00 179.24 176.86 1wry h VAL 30 N 0.10 1.58 0.01 2.25 2.07 0.89 -3.04 116.25 120.12 1wry h VAL 30 Ca -0.05 -3.27 -0.00 0.00 0.82 0.00 0.00 66.70 64.20 1wry h VAL 30 Cb 1.56 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 34.16 1wry h VAL 30 CO 0.14 0.92 -0.01 -0.07 0.02 0.00 0.00 177.57 178.57 1wry h LEU 31 N 0.02 -0.01 -1.26 2.57 3.38 -0.75 -3.08 115.31 116.16 1wry h LEU 31 Ca -0.07 -0.55 0.29 0.00 0.09 0.00 0.00 57.88 57.64 1wry h LEU 31 Cb 1.84 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 42.48 1wry h LEU 31 CO 0.14 0.75 0.67 1.23 0.09 0.00 0.00 178.44 181.32 1wry h GLY 32 N -0.99 1.45 0.79 0.83 0.00 -0.12 0.11 103.07 105.14 1wry h GLY 32 Ca -0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 1wry h GLY 32 CO 0.00 -0.22 -0.31 -2.75 0.00 0.00 0.00 176.54 173.25 1wry h PHE 33 N 0.39 -0.81 0.00 5.60 3.57 -1.62 0.67 116.94 124.74 1wry h PHE 33 Ca 0.65 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 62.13 1wry h PHE 33 Cb 1.60 0.27 0.00 0.00 2.79 0.00 0.00 35.95 40.60 1wry h PHE 33 CO -0.00 -0.47 0.13 -0.07 -2.23 0.00 0.00 178.31 175.67 1wry h LEU 34 N -1.10 0.00 0.03 0.59 3.38 -1.09 0.76 115.31 117.87 1wry h LEU 34 Ca -0.09 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.71 1wry h LEU 34 Cb 0.71 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 1wry h LEU 34 CO 0.15 0.00 -0.93 -0.33 0.09 0.00 0.00 178.44 177.42 1wry h GLU 35 N 0.00 0.06 -0.04 1.13 5.08 -0.34 1.46 114.58 121.92 1wry h GLU 35 Ca 0.00 -0.10 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 1wry h GLU 35 Cb 0.26 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1wry h GLU 35 CO 0.00 1.05 -0.33 0.00 -1.00 0.00 0.00 179.01 178.73 1wry h ALA 36 N -0.24 1.38 -0.10 3.43 0.00 0.17 -0.59 119.26 123.32 1wry h ALA 36 Ca -0.24 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1wry h ALA 36 Cb 1.33 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1wry h ALA 36 CO -0.08 0.45 0.00 0.09 0.00 0.00 0.00 179.25 179.71 1wry n ASN 37 N -4.13 1.33 -4.02 0.00 3.02 0.25 -4.90 115.26 106.81 1wry n ASN 37 Ca -0.02 -1.58 -0.31 0.00 -0.03 0.00 0.00 54.58 52.64 1wry n ASN 37 Cb 0.39 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 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 0.08 -4.30 -2.81 3.52 4.76 -0.23 -4.92 118.16 114.26 1wry n LYS 38 Ca 0.17 0.49 -0.32 0.00 -2.87 0.00 0.00 58.31 55.78 1wry n LYS 38 Cb 0.29 -5.19 -0.04 0.00 -1.84 0.00 0.00 35.03 28.25 1wry n LYS 38 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1wry s ILE 39 N -3.41 4.65 -1.15 -0.18 1.01 0.50 -4.99 121.20 117.63 1wry s ILE 39 Ca 0.55 0.94 -0.14 0.00 0.00 0.00 0.00 60.65 62.01 1wry s ILE 39 Cb -0.29 -3.68 0.18 0.00 0.01 0.00 0.00 42.46 38.67 1wry s ILE 39 CO 0.87 -0.46 1.34 -0.83 0.00 0.00 0.00 174.94 175.86 1wry s GLY 40 N -2.81 2.44 0.49 6.18 0.00 -1.26 -4.71 107.32 107.64 1wry s GLY 40 Ca 0.55 -3.33 0.04 0.00 0.00 0.00 0.00 44.72 41.99 1wry s GLY 40 CO 0.26 1.95 0.16 -0.11 0.00 0.00 0.00 173.10 175.35 1wry s PHE 41 N 1.39 2.04 -0.01 1.90 -0.71 -1.26 -2.52 117.98 118.81 1wry s PHE 41 Ca 0.39 -0.81 0.02 0.00 -1.04 0.00 0.00 56.93 55.50 1wry s PHE 41 Cb -0.04 -1.79 -0.00 0.00 -1.21 0.00 0.00 43.02 39.97 1wry s PHE 41 CO -0.02 0.05 -0.08 -1.21 -1.34 0.00 0.00 175.22 172.61 1wry s GLU 42 N -3.98 0.75 -0.35 1.99 2.02 0.56 -4.85 118.70 114.83 1wry s GLU 42 Ca 0.25 -0.28 -0.19 0.00 0.02 0.00 0.00 54.97 54.77 1wry s GLU 42 Cb 0.02 -0.72 -0.00 0.00 0.10 0.00 0.00 34.13 33.53 1wry s GLU 42 CO 0.14 0.14 0.56 -1.21 0.02 0.00 0.00 175.26 174.91 1wry s GLU 43 N -0.01 3.63 -0.20 1.61 2.02 -1.26 -0.13 118.70 124.36 1wry s GLU 43 Ca 0.00 -0.09 -0.02 0.00 0.02 0.00 0.00 54.97 54.88 1wry s GLU 43 Cb -0.05 -3.81 0.00 0.00 0.10 0.00 0.00 34.13 30.36 1wry s GLU 43 CO -0.00 -0.69 -0.11 0.15 0.02 0.00 0.00 175.26 174.64 1wry s LYS 44 N 2.52 3.23 -0.17 1.61 -0.14 0.35 -4.95 119.74 122.19 1wry s LYS 44 Ca 0.21 -0.70 -0.17 0.00 -1.36 0.00 0.00 55.97 53.95 1wry s LYS 44 Cb -0.15 -2.83 -0.04 0.00 -1.68 0.00 0.00 37.83 33.13 1wry s LYS 44 CO 0.14 -0.18 0.42 0.34 -0.76 0.00 0.00 175.35 175.31 1wry s ASP 45 N 1.36 6.54 0.07 2.83 2.15 -1.26 0.21 116.67 128.57 1wry s ASP 45 Ca 0.05 0.64 0.21 0.00 0.43 0.00 0.00 52.55 53.87 1wry s ASP 45 Cb -0.14 -2.25 -0.16 0.00 -0.30 0.00 0.00 42.92 40.08 1wry s ASP 45 CO -0.06 -0.04 0.75 2.30 -0.17 0.00 0.00 175.17 177.95 1wry n ILE 46 N 4.02 0.56 -1.22 4.11 -5.35 0.53 -3.56 119.36 118.44 1wry n ILE 46 Ca -0.08 -0.58 -0.19 0.00 -0.27 0.00 0.00 62.75 61.63 1wry n ILE 46 Cb 0.51 -0.30 -0.12 0.00 -1.74 0.00 0.00 39.64 37.99 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 -2.28 6.47 0.03 -1.28 0.00 -1.26 -3.80 120.51 118.40 1wry n ALA 47 Ca -0.05 -2.41 0.00 0.00 0.00 0.00 0.00 53.44 50.97 1wry n ALA 47 Cb 0.65 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.78 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 1.93 0.00 -3.28 0.00 0.00 -1.26 -4.48 120.51 113.41 1wry n ALA 48 Ca 0.47 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 53.46 1wry n ALA 48 Cb 0.74 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.18 1wry n ALA 48 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1wry s ASN 49 N -2.00 7.06 0.26 0.00 2.47 -1.23 -4.88 114.94 116.61 1wry s ASN 49 Ca 0.00 -3.12 -0.04 0.00 0.42 0.00 0.00 52.86 50.12 1wry s ASN 49 Cb 0.00 -2.23 0.54 0.00 -1.45 0.00 0.00 41.25 38.10 1wry s ASN 49 CO 0.00 -0.47 1.63 -0.08 -3.72 0.00 0.00 177.10 174.46 1wry h GLU 50 N 7.25 0.12 -0.99 0.43 4.81 -1.89 0.26 114.58 124.57 1wry h GLU 50 Ca 0.16 -0.01 0.25 0.00 -0.13 0.00 0.00 59.36 59.63 1wry h GLU 50 Cb 0.95 -0.03 -0.18 0.00 0.63 0.00 0.00 28.75 30.11 1wry h GLU 50 CO 0.93 0.08 -0.05 1.05 -0.73 0.00 0.00 179.01 180.30 1wry h GLU 51 N 0.12 0.01 0.86 1.92 4.11 -1.92 1.74 114.58 121.42 1wry h GLU 51 Ca 0.47 -0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.85 1wry h GLU 51 Cb 0.87 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.13 1wry h GLU 51 CO -0.69 0.00 -0.41 -0.91 0.07 0.00 0.00 179.01 177.07 1wry h ASN 52 N 0.01 -0.98 -0.49 3.06 4.21 -0.84 0.38 115.58 120.92 1wry h ASN 52 Ca 0.56 0.03 0.09 0.00 1.21 0.00 0.00 56.30 58.20 1wry h ASN 52 Cb 1.09 0.25 -0.08 0.00 -1.12 0.00 0.00 38.32 38.47 1wry h ASN 52 CO -0.95 -0.65 0.02 -0.09 -1.29 0.00 0.00 177.43 174.48 1wry h ARG 53 N -1.26 0.14 0.00 0.81 2.43 -0.36 1.48 114.38 117.62 1wry h ARG 53 Ca -0.12 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1wry h ARG 53 Cb 0.90 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 1wry h ARG 53 CO 0.19 0.09 0.00 1.17 -1.51 0.00 0.00 179.97 179.92 1wry n LYS 54 N -5.20 0.00 -0.28 0.20 4.81 0.56 0.14 118.16 118.38 1wry n LYS 54 Ca 0.05 0.38 -0.01 0.00 -0.87 0.00 0.00 58.31 57.86 1wry n LYS 54 Cb 0.26 -1.35 0.06 0.00 0.02 0.00 0.00 35.03 34.02 1wry n LYS 54 CO 0.00 0.00 0.00 2.35 1.17 0.00 0.00 177.40 180.92 1wry h TRP 55 N 0.00 -0.75 -0.99 5.64 7.01 -0.12 1.24 115.95 127.98 1wry h TRP 55 Ca 0.00 0.08 0.13 0.00 2.11 0.00 0.00 58.89 61.22 1wry h TRP 55 Cb 0.00 0.45 -0.09 0.00 -2.10 0.00 0.00 29.16 27.42 1wry h TRP 55 CO 0.12 -0.38 0.61 1.98 -2.79 0.00 0.00 178.44 177.98 1wry h MET 56 N -0.06 0.89 -0.13 2.65 4.05 0.22 0.30 114.93 122.85 1wry h MET 56 Ca 0.33 -0.05 -0.08 0.00 -0.28 0.00 0.00 59.70 59.61 1wry h MET 56 Cb 0.58 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 31.17 1wry h MET 56 CO -0.82 0.59 -0.29 0.00 0.23 0.00 0.00 176.91 176.62 1wry h ARG 57 N 0.92 0.24 0.00 0.39 3.08 0.99 0.16 114.38 120.16 1wry h ARG 57 Ca 0.51 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.47 1wry h ARG 57 Cb 0.58 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1wry h ARG 57 CO -0.30 0.52 -0.13 0.39 -1.07 0.00 0.00 179.97 179.39 1wry n GLU 58 N -4.13 0.21 -0.10 0.04 1.02 0.83 -3.84 120.64 114.67 1wry n GLU 58 Ca -0.01 0.14 -0.17 0.00 -0.02 0.00 0.00 57.16 57.10 1wry n GLU 58 Cb 0.39 -1.71 -0.09 0.00 -0.02 0.00 0.00 31.44 30.01 1wry n GLU 58 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1wry n ASN 59 N -2.06 1.84 -4.41 1.62 5.03 0.72 -4.93 115.26 113.09 1wry n ASN 59 Ca 0.05 0.48 -0.55 0.00 0.87 0.00 0.00 54.58 55.43 1wry n ASN 59 Cb 0.41 -0.94 -0.07 0.00 -1.02 0.00 0.00 39.78 38.17 1wry n ASN 59 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1wry n VAL 60 N -4.48 0.51 -2.54 2.41 0.31 0.47 -4.87 118.33 110.15 1wry n VAL 60 Ca -0.25 -0.13 -0.34 0.00 -0.01 0.00 0.00 64.34 63.61 1wry n VAL 60 Cb 0.57 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.46 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 -0.26 3.79 0.19 5.55 0.04 -1.26 -4.88 135.00 138.18 1wry s PRO 61 Ca 0.83 1.36 0.19 0.00 0.04 0.00 0.00 61.00 63.41 1wry s PRO 61 Cb -1.16 -2.09 0.85 0.00 0.04 0.00 0.00 34.50 32.13 1wry s PRO 61 CO 0.56 -0.44 1.58 -1.91 0.04 0.00 0.00 177.00 176.83 1wry n GLU 62 N -0.99 0.12 0.00 4.56 2.13 -1.26 -0.64 120.64 124.56 1wry n GLU 62 Ca 0.09 0.44 0.12 0.00 0.66 0.00 0.00 57.16 58.48 1wry n GLU 62 Cb 0.53 -1.78 0.32 0.00 0.27 0.00 0.00 31.44 30.78 1wry n GLU 62 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1wry n ASN 63 N -2.02 0.48 -0.02 4.31 2.85 -1.26 -3.77 115.26 115.84 1wry n ASN 63 Ca 0.01 -0.22 0.02 0.00 -0.11 0.00 0.00 54.58 54.29 1wry n ASN 63 Cb 0.15 0.13 -0.07 0.00 1.24 0.00 0.00 39.78 41.23 1wry n ASN 63 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1wry n SER 64 N -1.41 2.80 -4.55 1.20 7.64 0.18 -5.03 113.62 114.46 1wry n SER 64 Ca 0.07 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.61 1wry n SER 64 Cb 0.33 1.23 0.12 0.00 -1.01 0.00 0.00 64.21 64.88 1wry n SER 64 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1wry n ARG 65 N -1.98 -0.06 -1.52 1.43 1.74 0.10 -4.98 116.66 111.38 1wry n ARG 65 Ca -0.06 0.04 -0.30 0.00 -0.77 0.00 0.00 57.85 56.77 1wry n ARG 65 Cb 0.41 -2.11 0.19 0.00 -1.02 0.00 0.00 32.46 29.93 1wry n ARG 65 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1wry s PRO 66 N -3.77 0.15 0.61 5.56 0.04 -1.26 -4.88 135.00 131.44 1wry s PRO 66 Ca 0.65 -0.08 0.29 0.00 0.04 0.00 0.00 61.00 61.90 1wry s PRO 66 Cb -0.26 -1.76 1.59 0.00 0.04 0.00 0.00 34.50 34.11 1wry s PRO 66 CO 0.59 -2.79 1.98 0.00 0.04 0.00 0.00 177.00 176.82 1wry h ALA 67 N -1.92 1.85 -1.25 8.56 0.00 -1.96 -3.42 119.26 121.14 1wry h ALA 67 Ca -0.46 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 54.59 1wry h ALA 67 Cb 1.28 0.02 -0.31 0.00 0.00 0.00 0.00 17.79 18.79 1wry h ALA 67 CO 0.44 -0.48 0.72 -0.08 0.00 0.00 0.00 179.25 179.84 1wry s THR 68 N -4.51 0.00 0.00 0.00 -1.32 -1.26 -5.16 115.64 103.39 1wry s THR 68 Ca -0.04 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.44 1wry s THR 68 Cb 0.14 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.13 1wry s THR 68 CO 0.49 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.51 1wry n GLY 69 N 2.06 -0.20 3.62 6.08 0.00 -1.26 -4.98 105.19 110.50 1wry n GLY 69 Ca -0.12 -1.81 -0.31 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.17 0.36 -2.43 1.61 4.01 -1.26 -4.19 117.16 115.10 1wry n TYR 70 Ca 0.00 0.31 -0.42 0.00 -0.16 0.00 0.00 57.90 57.62 1wry n TYR 70 Cb 0.00 -1.94 -0.03 0.00 -0.31 0.00 0.00 39.34 37.07 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 -4.51 4.31 0.46 -0.72 0.04 -1.26 -4.61 135.00 128.70 1wry s PRO 71 Ca 0.66 1.70 -0.21 0.00 0.04 0.00 0.00 61.00 63.19 1wry s PRO 71 Cb -0.23 -3.62 -0.10 0.00 0.04 0.00 0.00 34.50 30.59 1wry s PRO 71 CO 0.60 -0.53 1.00 -0.51 0.04 0.00 0.00 177.00 177.59 1wry s LEU 72 N 2.61 3.89 0.89 -3.56 1.43 -1.26 -5.02 118.68 117.65 1wry s LEU 72 Ca 0.56 1.83 -0.12 0.00 -1.03 0.00 0.00 54.13 55.37 1wry s LEU 72 Cb -0.24 -4.55 0.12 0.00 0.03 0.00 0.00 46.19 41.55 1wry s LEU 72 CO 0.20 -0.60 1.13 -2.16 0.23 0.00 0.00 176.35 175.15 1wry s PRO 73 N -3.20 1.35 0.97 1.29 0.04 -1.26 -4.66 135.00 129.53 1wry s PRO 73 Ca 0.65 0.36 -0.14 0.00 0.04 0.00 0.00 61.00 61.91 1wry s PRO 73 Cb -0.13 -1.86 0.17 0.00 0.04 0.00 0.00 34.50 32.72 1wry s PRO 73 CO 0.17 -2.07 1.16 -1.25 0.04 0.00 0.00 177.00 175.06 1wry s PRO 74 N -5.25 0.67 -0.18 0.56 0.04 -1.26 -4.88 135.00 124.69 1wry s PRO 74 Ca 0.63 0.11 -0.04 0.00 0.04 0.00 0.00 61.00 61.74 1wry s PRO 74 Cb -0.15 -1.80 0.08 0.00 0.04 0.00 0.00 34.50 32.67 1wry s PRO 74 CO 0.53 -2.48 0.17 -0.65 0.04 0.00 0.00 177.00 174.61 1wry s GLN 75 N -5.40 0.13 0.11 4.56 -1.52 -1.13 -3.98 119.66 112.43 1wry s GLN 75 Ca 0.67 0.12 -0.25 0.00 -1.95 0.00 0.00 55.36 53.95 1wry s GLN 75 Cb -0.12 -1.37 -0.07 0.00 -0.22 0.00 0.00 33.01 31.23 1wry s GLN 75 CO 0.54 -0.64 0.76 0.42 -0.25 0.00 0.00 175.29 176.11 1wry s ILE 76 N 2.26 4.54 -0.07 1.08 1.01 -0.45 0.08 121.20 129.65 1wry s ILE 76 Ca 0.05 1.64 -0.03 0.00 0.00 0.00 0.00 60.65 62.31 1wry s ILE 76 Cb -0.16 -4.11 0.04 0.00 0.01 0.00 0.00 42.46 38.24 1wry s ILE 76 CO -0.11 0.46 0.15 -0.36 0.00 0.00 0.00 174.94 175.08 1wry s PHE 77 N -0.70 -0.16 -0.80 3.97 0.08 0.31 -2.99 117.98 117.68 1wry s PHE 77 Ca 0.36 0.49 -0.23 0.00 0.12 0.00 0.00 56.93 57.67 1wry s PHE 77 Cb -0.22 -0.10 0.06 0.00 -0.57 0.00 0.00 43.02 42.19 1wry s PHE 77 CO 0.24 -0.18 1.18 1.21 -0.10 0.00 0.00 175.22 177.58 1wry s ASN 78 N 1.29 6.31 0.00 1.36 3.84 0.37 0.95 114.94 129.06 1wry s ASN 78 Ca -0.08 -1.09 0.00 0.00 0.21 0.00 0.00 52.86 51.90 1wry s ASN 78 Cb -0.12 -2.49 0.00 0.00 -0.55 0.00 0.00 41.25 38.10 1wry s ASN 78 CO -0.06 -1.51 0.00 -0.62 -2.79 0.00 0.00 177.10 172.12 1wry n GLU 79 N 8.25 0.00 0.00 0.43 1.02 0.31 -1.51 120.64 129.13 1wry n GLU 79 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 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 0.45 1.18 0.00 0.00 177.13 178.76 1wry n SER 80 N 1.17 0.00 -4.66 1.62 2.88 -1.26 -4.85 113.62 108.51 1wry n SER 80 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 1wry n SER 80 Cb 0.00 0.01 0.17 0.00 -0.75 0.00 0.00 64.21 63.63 1wry n SER 80 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1wry s GLN 81 N -1.03 0.86 -0.12 -1.46 -1.52 -0.57 -4.98 119.66 110.82 1wry s GLN 81 Ca 0.00 1.22 -0.08 0.00 -1.95 0.00 0.00 55.36 54.55 1wry s GLN 81 Cb 0.00 -1.73 -0.04 0.00 -0.22 0.00 0.00 33.01 31.01 1wry s GLN 81 CO 0.00 -2.63 0.16 -0.47 -0.25 0.00 0.00 175.29 172.10 1wry s TYR 82 N -2.70 3.58 -0.03 0.91 6.14 -1.26 -0.48 117.35 123.51 1wry s TYR 82 Ca 0.66 0.54 -0.07 0.00 0.64 0.00 0.00 57.07 58.83 1wry s TYR 82 Cb -0.21 -2.00 -0.02 0.00 0.42 0.00 0.00 41.96 40.14 1wry s TYR 82 CO 0.59 0.66 -0.14 0.54 0.64 0.00 0.00 175.55 177.84 1wry n ARG 83 N 2.21 0.21 -3.64 4.97 5.12 -1.16 -4.85 116.66 119.52 1wry n ARG 83 Ca -0.19 0.08 0.04 0.00 -1.93 0.00 0.00 57.85 55.85 1wry n ARG 83 Cb 0.54 -0.81 0.01 0.00 -1.16 0.00 0.00 32.46 31.04 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 2.48 0.14 3.84 -0.13 0.00 -1.24 -5.06 105.19 105.22 1wry n GLY 84 Ca -0.05 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.71 1wry n GLY 84 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1wry s ASP 85 N -3.40 4.43 0.42 1.61 -4.77 -1.26 -1.34 116.67 112.36 1wry s ASP 85 Ca 0.26 -1.40 0.31 0.00 -3.30 0.00 0.00 52.55 48.43 1wry s ASP 85 Cb -0.00 0.41 1.43 0.00 -1.09 0.00 0.00 42.92 43.67 1wry s ASP 85 CO -0.02 -0.98 1.50 0.00 0.70 0.00 0.00 175.17 176.37 1wry n TYR 86 N -1.54 0.68 0.22 2.11 4.19 -1.26 0.15 117.16 121.71 1wry n TYR 86 Ca -0.08 0.68 -0.15 0.00 3.31 0.00 0.00 57.90 61.66 1wry n TYR 86 Cb 0.65 -1.12 -0.08 0.00 0.49 0.00 0.00 39.34 39.28 1wry n TYR 86 CO 0.00 0.00 0.00 -0.44 0.91 0.00 0.00 176.86 177.33 1wry h ASP 87 N 0.00 -0.43 -0.30 2.98 3.32 -1.93 0.92 116.42 120.97 1wry h ASP 87 Ca 0.85 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.81 1wry h ASP 87 Cb 2.72 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 42.37 1wry h ASP 87 CO -0.45 -0.25 -0.01 0.00 -1.72 0.00 0.00 179.24 176.81 1wry h ALA 88 N 0.03 1.23 -0.27 3.45 0.00 0.10 -1.64 119.26 122.16 1wry h ALA 88 Ca -0.05 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.64 1wry h ALA 88 Cb 0.43 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1wry h ALA 88 CO 0.09 0.51 0.14 0.35 0.00 0.00 0.00 179.25 180.33 1wry h PHE 89 N 0.62 0.25 0.24 0.00 3.57 0.18 0.14 116.94 121.94 1wry h PHE 89 Ca 0.13 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1wry h PHE 89 Cb 0.40 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.07 1wry h PHE 89 CO 0.02 0.14 -0.12 0.35 -2.23 0.00 0.00 178.31 176.47 1wry h PHE 90 N 0.29 -0.30 0.02 0.41 3.57 -0.53 -1.32 116.94 119.06 1wry h PHE 90 Ca 0.11 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.63 1wry h PHE 90 Cb 0.03 0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.82 1wry h PHE 90 CO -0.09 -0.03 -0.38 1.49 -2.23 0.00 0.00 178.31 177.06 1wry h GLU 91 N -0.55 -0.53 -0.35 1.11 4.81 -1.19 0.55 114.58 118.43 1wry h GLU 91 Ca -0.03 0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.33 1wry h GLU 91 Cb 0.40 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1wry h GLU 91 CO 0.05 -0.35 0.32 0.00 -0.73 0.00 0.00 179.01 178.30 1wry h ALA 92 N 0.05 2.12 0.04 2.92 0.00 -0.74 -0.74 119.26 122.91 1wry h ALA 92 Ca 0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1wry h ALA 92 Cb 0.63 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1wry h ALA 92 CO -0.29 -0.50 -0.02 -0.09 0.00 0.00 0.00 179.25 178.35 1wry h ARG 93 N 0.00 -0.06 -1.00 0.00 2.43 0.75 1.58 114.38 118.08 1wry h ARG 93 Ca 0.17 0.00 0.18 0.00 -0.81 0.00 0.00 59.98 59.51 1wry h ARG 93 Cb 0.80 0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 30.26 1wry h ARG 93 CO -0.00 0.58 0.62 0.93 -1.51 0.00 0.00 179.97 180.58 1wry h GLU 94 N -0.78 0.77 -0.39 0.20 4.39 0.13 1.46 114.58 120.35 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 0.66 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1wry h GLU 94 CO 0.01 0.51 0.00 0.09 -1.16 0.00 0.00 179.01 178.46 1wry n ASN 95 N -4.72 1.78 -4.14 1.42 3.02 -0.57 -4.90 115.26 107.15 1wry n ASN 95 Ca 0.22 -2.07 -0.34 0.00 -0.03 0.00 0.00 54.58 52.36 1wry n ASN 95 Cb 0.53 -0.27 -0.04 0.00 -0.61 0.00 0.00 39.78 39.39 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 0.31 -1.01 -0.07 6.41 3.02 0.50 -4.80 115.26 119.62 1wry n ASN 96 Ca 0.10 -1.21 0.01 0.00 -0.03 0.00 0.00 54.58 53.44 1wry n ASN 96 Cb 0.31 -2.02 0.01 0.00 -0.61 0.00 0.00 39.78 37.47 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 -4.65 1.45 -0.21 5.41 0.00 0.52 -4.27 120.51 118.75 1wry n ALA 97 Ca -0.25 -0.81 -0.09 0.00 0.00 0.00 0.00 53.44 52.29 1wry n ALA 97 Cb 0.65 -0.09 -0.07 0.00 0.00 0.00 0.00 19.45 19.95 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 2.62 0.00 -0.94 0.00 2.07 -1.16 0.59 116.25 119.42 1wry h VAL 98 Ca 0.00 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.75 1wry h VAL 98 Cb 0.93 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.53 1wry h VAL 98 CO 0.00 0.00 -0.04 1.88 0.02 0.00 0.00 177.57 179.43 1wry h TYR 99 N -0.12 -0.16 -0.73 1.57 0.05 -1.88 1.49 116.97 117.18 1wry h TYR 99 Ca 0.09 0.07 -0.06 0.00 0.05 0.00 0.00 58.73 58.88 1wry h TYR 99 Cb 0.34 0.22 -0.03 0.00 1.01 0.00 0.00 36.73 38.28 1wry h TYR 99 CO -0.87 -0.39 0.21 0.00 -1.05 0.00 0.00 178.16 176.05 1wry h ALA 100 N 1.93 0.96 0.00 3.88 0.00 -0.55 0.95 119.26 126.43 1wry h ALA 100 Ca 0.53 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1wry h ALA 100 Cb 1.01 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1wry h ALA 100 CO -0.89 0.66 0.00 0.34 0.00 0.00 0.00 179.25 179.36 1wry n PHE 101 N -4.25 0.42 0.27 0.00 7.35 0.46 -1.46 117.46 120.26 1wry n PHE 101 Ca 0.06 0.16 0.05 0.00 -0.76 0.00 0.00 57.45 56.96 1wry n PHE 101 Cb 0.24 -0.77 0.07 0.00 0.35 0.00 0.00 39.48 39.38 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 -1.88 2.15 -0.59 -2.13 4.77 0.14 -4.80 117.00 114.65 1wry n LEU 102 Ca 0.03 -1.28 -0.08 0.00 -0.03 0.00 0.00 56.01 54.66 1wry n LEU 102 Cb 0.20 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1wry n LEU 102 CO 0.17 0.46 -0.07 0.61 -1.33 0.00 0.00 177.39 177.22 1wry n GLY 103 N 0.56 0.88 2.76 -0.72 0.00 0.41 -4.94 105.19 104.14 1wry n GLY 103 Ca 0.07 -0.21 -0.17 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.88 0.00 -4.57 0.99 4.77 0.30 -4.96 117.00 112.65 1wry n LEU 104 Ca -0.08 -1.46 -0.31 0.00 -0.03 0.00 0.00 56.01 54.12 1wry n LEU 104 Cb 0.40 -0.48 -0.11 0.00 -2.33 0.00 0.00 43.42 40.90 1wry n LEU 104 CO 0.12 -0.87 -0.41 -0.89 -1.33 0.00 0.00 177.39 174.01 1wry s THR 105 N -2.21 3.48 0.22 -5.08 2.01 -1.26 -4.19 115.64 108.61 1wry s THR 105 Ca 0.48 -0.93 -0.14 0.00 0.31 0.00 0.00 61.69 61.41 1wry s THR 105 Cb -0.03 -2.53 -0.08 0.00 0.01 0.00 0.00 72.50 69.88 1wry s THR 105 CO 0.32 0.33 0.62 0.00 -0.69 0.00 0.00 174.62 175.19 1wry s ALA 106 N -1.03 3.49 0.42 7.40 0.00 -1.26 -4.96 121.76 125.82 1wry s ALA 106 Ca 0.18 -0.08 -0.23 0.00 0.00 0.00 0.00 51.96 51.82 1wry s ALA 106 Cb -0.11 -2.60 -0.09 0.00 0.00 0.00 0.00 23.12 20.32 1wry s ALA 106 CO 0.09 0.42 1.05 -1.25 0.00 0.00 0.00 175.76 176.07 1wry s PRO 107 N -2.40 4.06 -1.20 0.00 0.04 -1.26 -4.93 135.00 129.30 1wry s PRO 107 Ca 0.45 1.48 -0.21 0.00 0.04 0.00 0.00 61.00 62.76 1wry s PRO 107 Cb -0.13 -2.42 -0.01 0.00 0.04 0.00 0.00 34.50 31.98 1wry s PRO 107 CO 0.20 -0.23 1.81 -1.25 0.04 0.00 0.00 177.00 177.57 1wry s PRO 108 N -2.70 3.24 0.00 0.56 0.04 -1.26 -3.14 135.00 131.73 1wry s PRO 108 Ca 0.60 -1.47 0.00 0.00 0.04 0.00 0.00 61.00 60.17 1wry s PRO 108 Cb -0.21 -5.37 0.00 0.00 0.04 0.00 0.00 34.50 28.96 1wry s PRO 108 CO 0.26 -3.06 0.00 0.41 0.04 0.00 0.00 177.00 174.65 1wry n GLY 109 N 5.78 0.17 3.20 0.56 0.00 -1.26 -5.14 105.19 108.50 1wry n GLY 109 Ca 0.45 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.16 0.24 0.18 1.61 0.01 -1.19 -5.00 113.70 109.40 1wry s SER 110 Ca 0.00 -1.08 -0.21 0.00 1.31 0.00 0.00 55.95 55.97 1wry s SER 110 Cb 0.00 0.33 0.12 0.00 0.21 0.00 0.00 66.02 66.68 1wry s SER 110 CO 0.00 -0.77 1.59 0.50 0.41 0.00 0.00 173.24 174.97 1wry h LYS 111 N 2.79 -0.16 -1.02 12.44 1.63 -1.96 1.59 116.57 131.88 1wry h LYS 111 Ca -0.34 0.01 0.27 0.00 -0.85 0.00 0.00 60.65 59.74 1wry h LYS 111 Cb 1.20 0.04 -0.13 0.00 -0.60 0.00 0.00 32.23 32.74 1wry h LYS 111 CO 0.56 -0.11 0.61 0.93 -3.45 0.00 0.00 179.45 177.99 1wry h GLU 112 N -0.17 0.49 0.04 1.90 5.08 -1.92 0.70 114.58 120.70 1wry h GLU 112 Ca 0.23 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.47 1wry h GLU 112 Cb 0.55 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.70 1wry h GLU 112 CO -0.67 0.32 -0.36 0.00 -1.00 0.00 0.00 179.01 177.30 1wry h ALA 113 N 1.74 -0.01 0.04 3.43 0.00 0.15 -3.37 119.26 121.24 1wry h ALA 113 Ca 0.66 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1wry h ALA 113 Cb 1.37 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1wry h ALA 113 CO -0.48 0.16 -0.05 0.93 0.00 0.00 0.00 179.25 179.81 1wry h GLU 114 N -0.57 -0.09 -6.45 0.00 4.39 0.43 -3.47 114.58 108.81 1wry h GLU 114 Ca -0.06 0.01 -0.17 0.00 0.34 0.00 0.00 59.36 59.48 1wry h GLU 114 Cb 1.19 0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.87 1wry h GLU 114 CO 0.07 -0.06 -1.09 0.28 -1.16 0.00 0.00 179.01 177.05 1wry n VAL 115 N -2.56 -2.82 -3.15 3.13 0.31 0.22 -4.99 118.33 108.47 1wry n VAL 115 Ca -0.01 0.33 0.05 0.00 -0.01 0.00 0.00 64.34 64.69 1wry n VAL 115 Cb 0.04 -3.23 -0.01 0.00 -0.91 0.00 0.00 33.84 29.73 1wry n VAL 115 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1wry s SER 116 N -1.19 -1.00 0.00 4.52 0.15 -1.26 -5.12 113.70 109.79 1wry s SER 116 Ca 0.16 0.34 0.00 0.00 0.70 0.00 0.00 55.95 57.15 1wry s SER 116 Cb -0.02 1.72 0.00 0.00 -1.71 0.00 0.00 66.02 66.02 1wry s SER 116 CO 0.37 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.24 1wry n GLY 117 N 5.36 3.72 2.41 9.45 0.00 -1.26 -5.02 105.19 119.85 1wry n GLY 117 Ca 0.02 -0.64 -0.25 0.00 0.00 0.00 0.00 46.02 45.15 1wry n GLY 117 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wry n PRO 118 N 0.00 2.53 -3.38 1.61 -0.04 -1.26 -4.60 135.00 129.86 1wry n PRO 118 Ca 0.00 -1.58 -0.25 0.00 -0.04 0.00 0.00 63.50 61.64 1wry n PRO 118 Cb 0.00 -2.46 0.02 0.00 -0.04 0.00 0.00 33.50 31.02 1wry n PRO 118 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wry n SER 119 N 3.68 -6.16 -3.66 3.54 7.64 -1.26 -5.01 113.62 112.40 1wry n SER 119 Ca 0.54 -0.18 -0.07 0.00 1.01 0.00 0.00 58.87 60.16 1wry n SER 119 Cb 0.27 -2.90 -0.08 0.00 -1.01 0.00 0.00 64.21 60.49 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 -2.25 -0.79 0.00 6.43 0.15 -1.26 -5.22 113.70 110.75 1wry s SER 120 Ca 0.22 1.30 0.00 0.00 0.70 0.00 0.00 55.95 58.17 1wry s SER 120 Cb -0.03 1.33 0.00 0.00 -1.71 0.00 0.00 66.02 65.61 1wry s SER 120 CO 0.84 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.67