#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 -0.02 0.42 1.61 0.01 -1.26 -5.16 113.70 109.29 1wry s SER 2 Ca 0.00 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.22 1wry s SER 2 Cb 0.00 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.28 1wry s SER 2 CO 0.00 -0.10 0.00 -0.24 0.41 0.00 0.00 173.24 173.31 1wry n SER 3 N -0.41 -5.61 0.00 2.44 2.88 -1.26 -5.08 113.62 106.58 1wry n SER 3 Ca -0.07 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 1wry n SER 3 Cb 0.62 -3.27 0.00 0.00 -0.75 0.00 0.00 64.21 60.81 1wry n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wry n GLY 4 N -2.84 1.23 3.68 0.46 0.00 -1.26 -5.18 105.19 101.28 1wry n GLY 4 Ca -0.03 -0.58 -0.01 0.00 0.00 0.00 0.00 46.02 45.39 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 0.00 -0.12 1.01 1.61 0.15 -1.26 -5.16 113.70 109.93 1wry s SER 5 Ca 0.00 -0.26 -0.21 0.00 0.70 0.00 0.00 55.95 56.18 1wry s SER 5 Cb 0.00 0.33 -0.10 0.00 -1.71 0.00 0.00 66.02 64.53 1wry s SER 5 CO 0.00 -0.60 -0.80 -1.20 1.20 0.00 0.00 173.24 171.84 1wry n SER 6 N -0.47 -3.83 0.00 5.45 7.64 -1.26 -4.82 113.62 116.34 1wry n SER 6 Ca -0.07 0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1wry n SER 6 Cb 0.62 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 1wry n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wry n GLY 7 N 3.00 0.48 2.84 0.23 0.00 -1.26 -5.10 105.19 105.38 1wry n GLY 7 Ca -0.00 -1.27 -0.06 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.78 -2.84 1.61 2.00 -1.26 -4.95 117.12 108.90 1wry n MET 8 Ca 0.00 2.34 -0.40 0.00 0.00 0.00 0.00 57.70 59.65 1wry n MET 8 Cb 0.00 -5.20 -0.06 0.00 0.00 0.00 0.00 33.22 27.96 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 -2.06 4.18 -0.44 2.03 1.01 -1.26 -4.95 120.40 118.90 1wry s VAL 9 Ca 0.14 1.95 -0.12 0.00 0.00 0.00 0.00 61.98 63.94 1wry s VAL 9 Cb -0.03 -4.26 0.08 0.00 0.00 0.00 0.00 36.38 32.16 1wry s VAL 9 CO 0.75 0.51 0.32 -0.63 0.00 0.00 0.00 175.10 176.05 1wry s ILE 10 N -1.17 4.69 -0.15 2.22 -1.09 -1.07 -0.16 121.20 124.46 1wry s ILE 10 Ca 0.39 -1.25 -0.07 0.00 -2.23 0.00 0.00 60.65 57.48 1wry s ILE 10 Cb -0.25 -3.84 -0.04 0.00 -1.58 0.00 0.00 42.46 36.75 1wry s ILE 10 CO 0.30 -0.54 0.11 -0.13 -1.23 0.00 0.00 174.94 173.44 1wry s ARG 11 N 1.52 3.72 -0.04 2.79 0.52 0.25 0.20 118.95 127.91 1wry s ARG 11 Ca 0.03 -0.23 0.06 0.00 -0.52 0.00 0.00 55.73 55.08 1wry s ARG 11 Cb -0.24 -3.22 -0.01 0.00 0.52 0.00 0.00 34.95 32.00 1wry s ARG 11 CO 0.04 0.53 -0.23 0.08 0.02 0.00 0.00 175.30 175.74 1wry s VAL 12 N -0.33 1.88 -0.59 3.52 1.01 -0.60 0.18 120.40 125.46 1wry s VAL 12 Ca 0.10 -0.99 -0.12 0.00 0.00 0.00 0.00 61.98 60.98 1wry s VAL 12 Cb -0.12 -1.58 0.15 0.00 0.00 0.00 0.00 36.38 34.83 1wry s VAL 12 CO 0.01 0.53 0.50 -0.31 0.00 0.00 0.00 175.10 175.83 1wry s TYR 13 N -0.27 3.44 0.56 5.22 1.51 0.22 0.85 117.35 128.89 1wry s TYR 13 Ca 0.01 -1.78 0.07 0.00 -1.01 0.00 0.00 57.07 54.36 1wry s TYR 13 Cb -0.12 -3.65 0.07 0.00 -0.11 0.00 0.00 41.96 38.16 1wry s TYR 13 CO 0.02 -0.99 0.59 0.44 -1.11 0.00 0.00 175.55 174.50 1wry n ILE 14 N 4.69 0.00 -3.34 2.71 -5.35 0.54 -2.97 119.36 115.63 1wry n ILE 14 Ca -0.04 -2.05 -0.26 0.00 -0.27 0.00 0.00 62.75 60.14 1wry n ILE 14 Cb 0.42 -0.26 -0.08 0.00 -1.74 0.00 0.00 39.64 37.97 1wry n ILE 14 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wry n ALA 15 N -2.09 3.38 -0.21 -1.28 0.00 -1.26 0.21 120.51 119.26 1wry n ALA 15 Ca -0.15 -4.19 0.19 0.00 0.00 0.00 0.00 53.44 49.28 1wry n ALA 15 Cb 0.61 -0.87 0.35 0.00 0.00 0.00 0.00 19.45 19.54 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 1.15 0.18 0.01 0.00 2.88 -1.26 -0.16 113.62 116.41 1wry n SER 16 Ca 0.26 1.08 -0.00 0.00 -1.33 0.00 0.00 58.87 58.87 1wry n SER 16 Cb 0.46 -0.50 -0.00 0.00 -0.75 0.00 0.00 64.21 63.41 1wry n SER 16 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1wry h SER 17 N 0.00 -0.02 -0.67 -3.46 0.87 -1.96 -3.49 113.55 104.82 1wry h SER 17 Ca 0.52 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 61.14 1wry h SER 17 Cb 1.35 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.30 1wry h SER 17 CO -0.51 -0.00 -0.07 -1.20 -0.53 0.00 0.00 176.83 174.51 1wry n SER 18 N -2.13 -2.54 -0.30 6.23 7.64 0.77 -4.75 113.62 118.54 1wry n SER 18 Ca -0.00 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.09 1wry n SER 18 Cb 0.01 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 1wry n SER 18 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wry n GLY 19 N -0.69 -0.45 3.17 0.23 0.00 -1.26 -5.10 105.19 101.09 1wry n GLY 19 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.45 0.72 -0.13 1.61 0.01 -1.26 -5.07 113.70 109.14 1wry s SER 20 Ca 0.00 -1.14 -0.08 0.00 1.31 0.00 0.00 55.95 56.04 1wry s SER 20 Cb 0.00 0.20 -0.26 0.00 0.21 0.00 0.00 66.02 66.17 1wry s SER 20 CO 0.00 -0.63 0.35 0.41 0.41 0.00 0.00 173.24 173.78 1wry n THR 21 N -0.10 1.77 -0.09 1.44 -1.04 -1.26 -3.73 114.28 111.26 1wry n THR 21 Ca -0.08 -0.62 -0.08 0.00 -2.04 0.00 0.00 64.05 61.23 1wry n THR 21 Cb 0.63 -1.75 -0.02 0.00 -1.82 0.00 0.00 70.33 67.37 1wry n THR 21 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wry h ALA 22 N 0.04 -0.23 0.19 2.41 0.00 -1.98 0.17 119.26 119.85 1wry h ALA 22 Ca -0.42 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.57 1wry h ALA 22 Cb 1.99 0.68 -0.04 0.00 0.00 0.00 0.00 17.79 20.41 1wry h ALA 22 CO 0.07 -0.75 -0.52 0.82 0.00 0.00 0.00 179.25 178.87 1wry h ILE 23 N -0.29 0.01 -1.00 0.00 2.04 -1.91 0.76 117.51 117.11 1wry h ILE 23 Ca 0.15 0.00 0.33 0.00 1.00 0.00 0.00 64.86 66.34 1wry h ILE 23 Cb 0.54 0.01 -0.15 0.00 -0.74 0.00 0.00 36.82 36.47 1wry h ILE 23 CO -0.49 0.00 0.56 0.11 0.00 0.00 0.00 178.15 178.33 1wry h LYS 24 N -0.80 0.28 0.23 2.37 1.57 -1.43 0.64 116.57 119.43 1wry h LYS 24 Ca -0.02 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1wry h LYS 24 Cb 0.78 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.03 1wry h LYS 24 CO -0.25 0.18 -0.11 0.87 -0.57 0.00 0.00 179.45 179.57 1wry h LYS 25 N 0.28 -0.30 -0.91 3.15 6.56 0.16 -1.40 116.57 124.11 1wry h LYS 25 Ca 0.75 0.02 0.11 0.00 -1.06 0.00 0.00 60.65 60.47 1wry h LYS 25 Cb 1.73 0.07 -0.13 0.00 -0.57 0.00 0.00 32.23 33.33 1wry h LYS 25 CO -0.63 -0.20 -0.48 0.87 -2.06 0.00 0.00 179.45 176.95 1wry h LYS 26 N -0.52 -0.05 -0.74 3.15 1.57 0.18 1.11 116.57 121.28 1wry h LYS 26 Ca -0.03 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.89 1wry h LYS 26 Cb 0.24 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.47 1wry h LYS 26 CO 0.05 -0.03 0.28 1.96 -0.57 0.00 0.00 179.45 181.14 1wry h GLN 27 N -0.05 0.41 0.00 3.15 4.20 0.14 0.58 115.11 123.54 1wry h GLN 27 Ca 0.24 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.87 1wry h GLN 27 Cb 0.52 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 1wry h GLN 27 CO -0.91 0.27 -0.22 1.96 -0.67 0.00 0.00 178.83 179.26 1wry h GLN 28 N 0.42 0.00 0.00 1.46 4.20 0.20 0.16 115.11 121.55 1wry h GLN 28 Ca 0.40 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.98 1wry h GLN 28 Cb 0.61 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 1wry h GLN 28 CO -0.40 0.22 -0.62 0.22 -0.67 0.00 0.00 178.83 177.57 1wry h ASP 29 N 0.00 0.00 0.75 1.46 3.58 0.60 0.80 116.42 123.61 1wry h ASP 29 Ca -0.00 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.20 1wry h ASP 29 Cb 0.53 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.55 1wry h ASP 29 CO 0.03 0.62 -1.30 0.58 -2.88 0.00 0.00 179.24 176.29 1wry h VAL 30 N 0.00 1.36 0.00 2.25 2.07 -0.12 -3.04 116.25 118.78 1wry h VAL 30 Ca -0.01 -3.10 -0.01 0.00 0.82 0.00 0.00 66.70 64.40 1wry h VAL 30 Cb 1.16 2.71 -0.00 0.00 -1.52 0.00 0.00 31.29 33.64 1wry h VAL 30 CO 0.08 0.80 -0.05 -0.07 0.02 0.00 0.00 177.57 178.35 1wry h LEU 31 N 0.01 0.00 -0.79 2.57 3.38 -0.86 -3.02 115.31 116.60 1wry h LEU 31 Ca -0.13 -0.58 0.18 0.00 0.09 0.00 0.00 57.88 57.44 1wry h LEU 31 Cb 1.89 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 42.52 1wry h LEU 31 CO 0.12 0.82 0.24 1.23 0.09 0.00 0.00 178.44 180.94 1wry h GLY 32 N -1.00 1.18 1.00 0.83 0.00 0.47 0.25 103.07 105.80 1wry h GLY 32 Ca -0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 1wry h GLY 32 CO -0.01 -0.22 -0.29 -2.75 0.00 0.00 0.00 176.54 173.27 1wry h PHE 33 N 0.31 -0.76 -0.04 5.60 3.57 -1.65 0.89 116.94 124.86 1wry h PHE 33 Ca 0.46 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.96 1wry h PHE 33 Cb 0.81 0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.80 1wry h PHE 33 CO -0.23 -0.47 0.10 -0.07 -2.23 0.00 0.00 178.31 175.42 1wry h LEU 34 N -0.81 0.00 0.10 0.59 3.38 -1.15 0.39 115.31 117.81 1wry h LEU 34 Ca -0.08 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.69 1wry h LEU 34 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1wry h LEU 34 CO 0.13 0.00 -0.99 -0.33 0.09 0.00 0.00 178.44 177.34 1wry h GLU 35 N 0.00 0.21 0.00 1.13 5.08 0.56 1.36 114.58 122.92 1wry h GLU 35 Ca 0.02 -0.36 -0.05 0.00 -1.00 0.00 0.00 59.36 57.97 1wry h GLU 35 Cb 0.23 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1wry h GLU 35 CO -0.00 1.17 -0.24 0.00 -1.00 0.00 0.00 179.01 178.94 1wry h ALA 36 N -0.03 1.35 -0.31 3.43 0.00 0.21 -0.19 119.26 123.71 1wry h ALA 36 Ca -0.21 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1wry h ALA 36 Cb 1.57 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1wry h ALA 36 CO 0.06 0.31 0.00 0.09 0.00 0.00 0.00 179.25 179.71 1wry n ASN 37 N -3.89 2.53 -4.00 0.00 3.02 0.13 -4.94 115.26 108.11 1wry n ASN 37 Ca -0.02 -1.88 -0.30 0.00 -0.03 0.00 0.00 54.58 52.36 1wry n ASN 37 Cb 0.33 -0.20 -0.02 0.00 -0.61 0.00 0.00 39.78 39.27 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 0.89 -2.13 -3.50 3.52 5.02 -0.08 -4.92 118.16 116.95 1wry n LYS 38 Ca 0.17 0.31 -0.33 0.00 -2.02 0.00 0.00 58.31 56.44 1wry n LYS 38 Cb 0.45 -4.04 -0.05 0.00 -0.02 0.00 0.00 35.03 31.37 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 -3.93 5.01 -1.30 -0.18 1.01 0.46 -5.00 121.20 117.27 1wry s ILE 39 Ca 0.13 0.41 -0.14 0.00 0.00 0.00 0.00 60.65 61.05 1wry s ILE 39 Cb -0.06 -3.64 0.12 0.00 0.01 0.00 0.00 42.46 38.90 1wry s ILE 39 CO 0.92 0.06 1.79 0.61 0.00 0.00 0.00 174.94 178.31 1wry n GLY 40 N 0.22 3.78 3.91 6.18 0.00 -1.26 -4.75 105.19 113.26 1wry n GLY 40 Ca -0.02 -1.83 -0.24 0.00 0.00 0.00 0.00 46.02 43.93 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 2.18 1.89 0.07 1.61 -0.71 -1.26 -2.60 117.98 119.16 1wry s PHE 41 Ca 0.45 -0.73 0.04 0.00 -1.04 0.00 0.00 56.93 55.65 1wry s PHE 41 Cb 0.06 -2.02 -0.03 0.00 -1.21 0.00 0.00 43.02 39.82 1wry s PHE 41 CO 0.00 -0.46 -0.12 -1.21 -1.34 0.00 0.00 175.22 172.09 1wry s GLU 42 N -4.28 0.75 -0.37 1.99 0.41 0.53 -4.84 118.70 112.89 1wry s GLU 42 Ca 0.41 -0.93 -0.10 0.00 -0.41 0.00 0.00 54.97 53.94 1wry s GLU 42 Cb -0.03 -0.67 0.03 0.00 -1.78 0.00 0.00 34.13 31.68 1wry s GLU 42 CO 0.25 0.14 0.19 -1.21 -0.49 0.00 0.00 175.26 174.15 1wry s GLU 43 N -1.81 2.85 -0.25 1.61 2.02 -1.26 -1.56 118.70 120.29 1wry s GLU 43 Ca -0.03 -1.06 -0.05 0.00 0.02 0.00 0.00 54.97 53.85 1wry s GLU 43 Cb -0.09 -3.70 0.00 0.00 0.10 0.00 0.00 34.13 30.44 1wry s GLU 43 CO 0.02 -0.68 0.00 0.15 0.02 0.00 0.00 175.26 174.77 1wry s LYS 44 N 1.55 3.22 -0.24 1.61 -0.14 0.25 -4.96 119.74 121.03 1wry s LYS 44 Ca 0.02 -0.75 -0.17 0.00 -1.36 0.00 0.00 55.97 53.71 1wry s LYS 44 Cb -0.19 -3.14 -0.03 0.00 -1.68 0.00 0.00 37.83 32.79 1wry s LYS 44 CO 0.06 -0.31 0.48 0.34 -0.76 0.00 0.00 175.35 175.17 1wry s ASP 45 N 1.47 6.45 0.04 2.83 2.15 -1.26 0.20 116.67 128.55 1wry s ASP 45 Ca 0.04 0.54 0.12 0.00 0.43 0.00 0.00 52.55 53.68 1wry s ASP 45 Cb -0.16 -2.27 -0.19 0.00 -0.30 0.00 0.00 42.92 40.01 1wry s ASP 45 CO -0.01 -0.22 0.89 0.16 -0.17 0.00 0.00 175.17 175.82 1wry h ILE 46 N 5.27 0.98 0.00 4.11 3.07 0.22 -3.33 117.51 127.83 1wry h ILE 46 Ca -0.32 -2.71 0.00 0.00 1.55 0.00 0.00 64.86 63.39 1wry h ILE 46 Cb 1.15 2.45 0.00 0.00 -0.27 0.00 0.00 36.82 40.15 1wry h ILE 46 CO 0.71 0.56 0.00 0.00 -1.05 0.00 0.00 178.15 178.38 1wry n ALA 47 N -2.46 -0.18 -1.20 0.16 0.00 -1.25 -2.14 120.51 113.43 1wry n ALA 47 Ca -0.10 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.15 1wry n ALA 47 Cb 0.97 0.17 -0.12 0.00 0.00 0.00 0.00 19.45 20.46 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 -1.75 6.43 -2.73 0.00 0.00 -1.26 -4.39 120.51 116.80 1wry n ALA 48 Ca 0.00 -2.34 0.03 0.00 0.00 0.00 0.00 53.44 51.13 1wry n ALA 48 Cb 0.00 -2.27 0.01 0.00 0.00 0.00 0.00 19.45 17.19 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 1.34 -0.01 0.00 0.00 3.84 -0.91 -4.99 114.94 114.22 1wry s ASN 49 Ca 0.64 -0.00 -0.25 0.00 0.21 0.00 0.00 52.86 53.46 1wry s ASN 49 Cb 0.34 0.17 -0.17 0.00 -0.55 0.00 0.00 41.25 41.04 1wry s ASN 49 CO -0.09 -0.00 1.24 -0.08 -2.79 0.00 0.00 177.10 175.38 1wry h GLU 50 N 5.32 -0.31 -0.90 0.43 4.57 -1.77 -2.89 114.58 119.03 1wry h GLU 50 Ca -0.07 0.02 0.16 0.00 -1.18 0.00 0.00 59.36 58.29 1wry h GLU 50 Cb 1.24 0.07 -0.16 0.00 -0.16 0.00 0.00 28.75 29.74 1wry h GLU 50 CO -0.13 0.02 -0.30 -0.85 -1.18 0.00 0.00 179.01 176.58 1wry n GLU 51 N -5.08 -0.15 0.12 1.92 0.28 -1.26 0.20 120.64 116.66 1wry n GLU 51 Ca -0.09 1.40 -0.13 0.00 -0.16 0.00 0.00 57.16 58.18 1wry n GLU 51 Cb 0.25 -2.08 -0.06 0.00 1.43 0.00 0.00 31.44 30.98 1wry n GLU 51 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 1wry h ASN 52 N 0.00 -0.72 0.36 -1.84 4.21 -1.89 0.86 115.58 116.56 1wry h ASN 52 Ca 0.37 0.08 -0.01 0.00 1.21 0.00 0.00 56.30 57.95 1wry h ASN 52 Cb 0.59 0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 38.05 1wry h ASN 52 CO -0.91 -0.35 -0.24 -0.09 -1.29 0.00 0.00 177.43 174.55 1wry h ARG 53 N -0.47 -0.57 0.11 0.81 2.43 0.67 0.80 114.38 118.16 1wry h ARG 53 Ca 0.03 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1wry h ARG 53 Cb 0.49 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 1wry h ARG 53 CO -0.13 -0.38 -0.18 -0.22 -1.51 0.00 0.00 179.97 177.55 1wry h LYS 54 N -0.59 -0.30 -0.34 0.20 3.64 0.25 0.86 116.57 120.29 1wry h LYS 54 Ca -0.03 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.41 1wry h LYS 54 Cb 0.50 0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 32.31 1wry h LYS 54 CO 0.02 -0.20 -0.56 2.35 -2.27 0.00 0.00 179.45 178.79 1wry h TRP 55 N -0.31 -1.69 -0.80 1.91 7.01 0.77 0.15 115.95 122.99 1wry h TRP 55 Ca -0.01 0.08 0.17 0.00 2.11 0.00 0.00 58.89 61.23 1wry h TRP 55 Cb 0.29 0.78 -0.15 0.00 -2.10 0.00 0.00 29.16 27.98 1wry h TRP 55 CO -0.24 -0.51 -0.14 1.98 -2.79 0.00 0.00 178.44 176.75 1wry h MET 56 N -0.45 0.02 -0.79 2.65 4.05 0.88 0.61 114.93 121.91 1wry h MET 56 Ca 0.06 -0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.55 1wry h MET 56 Cb 0.62 -0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 31.35 1wry h MET 56 CO -0.56 0.01 0.47 0.00 0.23 0.00 0.00 176.91 177.06 1wry h ARG 57 N 0.02 0.81 0.00 0.39 3.08 0.33 0.71 114.38 119.72 1wry h ARG 57 Ca 0.40 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.39 1wry h ARG 57 Cb 0.66 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 1wry h ARG 57 CO -0.79 0.53 -0.08 0.93 -1.07 0.00 0.00 179.97 179.50 1wry h GLU 58 N 0.83 0.00 0.00 0.04 4.39 0.26 -3.04 114.58 117.05 1wry h GLU 58 Ca 0.36 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.97 1wry h GLU 58 Cb 0.24 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1wry h GLU 58 CO -0.20 0.08 -0.54 -0.91 -1.16 0.00 0.00 179.01 176.27 1wry h ASN 59 N 0.00 0.00 -1.01 1.42 2.35 0.18 -3.47 115.58 115.05 1wry h ASN 59 Ca -0.00 -0.56 -0.78 0.00 -0.55 0.00 0.00 56.30 54.41 1wry h ASN 59 Cb 0.42 0.00 0.06 0.00 0.05 0.00 0.00 38.32 38.84 1wry h ASN 59 CO 0.01 1.09 0.00 0.52 -1.65 0.00 0.00 177.43 177.40 1wry n VAL 60 N -4.57 0.21 -2.53 2.81 0.31 0.22 -4.87 118.33 109.92 1wry n VAL 60 Ca -0.17 -0.05 -0.34 0.00 -0.01 0.00 0.00 64.34 63.77 1wry n VAL 60 Cb 0.47 -0.01 -0.03 0.00 -0.91 0.00 0.00 33.84 33.36 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 -0.10 3.79 0.17 5.55 0.04 -1.26 -4.80 135.00 138.38 1wry s PRO 61 Ca 0.88 1.36 -0.15 0.00 0.04 0.00 0.00 61.00 63.13 1wry s PRO 61 Cb -1.23 -2.09 0.11 0.00 0.04 0.00 0.00 34.50 31.33 1wry s PRO 61 CO 0.57 -0.44 1.73 1.49 0.04 0.00 0.00 177.00 180.39 1wry h GLU 62 N 1.52 0.23 0.00 4.56 4.81 -1.91 1.03 114.58 124.83 1wry h GLU 62 Ca -0.49 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1wry h GLU 62 Cb 1.22 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1wry h GLU 62 CO 0.59 0.15 0.18 -0.97 -0.73 0.00 0.00 179.01 178.23 1wry h ASN 63 N 0.24 0.00 0.00 1.04 -0.73 -2.00 0.31 115.58 114.44 1wry h ASN 63 Ca 0.20 0.00 -0.25 0.00 1.87 0.00 0.00 56.30 58.12 1wry h ASN 63 Cb 0.22 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 38.77 1wry h ASN 63 CO -0.24 0.00 -2.19 -1.20 -0.37 0.00 0.00 177.43 173.43 1wry n SER 64 N -2.75 0.33 -4.77 1.15 7.64 0.13 -4.96 113.62 110.39 1wry n SER 64 Ca -0.02 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.45 1wry n SER 64 Cb 0.23 1.25 -0.02 0.00 -1.01 0.00 0.00 64.21 64.65 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 -2.74 4.32 1.06 1.43 0.52 0.31 -4.91 118.95 118.95 1wry s ARG 65 Ca -0.09 2.20 -0.17 0.00 -0.52 0.00 0.00 55.73 57.15 1wry s ARG 65 Cb 0.08 -3.03 0.23 0.00 0.52 0.00 0.00 34.95 32.75 1wry s ARG 65 CO 0.80 -0.21 1.21 -1.25 0.02 0.00 0.00 175.30 175.86 1wry s PRO 66 N -1.84 -0.12 0.18 3.54 0.04 -1.26 -4.91 135.00 130.62 1wry s PRO 66 Ca 0.50 -0.19 -0.19 0.00 0.04 0.00 0.00 61.00 61.16 1wry s PRO 66 Cb -0.39 -1.74 0.13 0.00 0.04 0.00 0.00 34.50 32.54 1wry s PRO 66 CO 0.52 -2.96 1.62 0.00 0.04 0.00 0.00 177.00 176.22 1wry h ALA 67 N -2.04 0.09 -1.38 8.56 0.00 -1.95 -3.44 119.26 119.10 1wry h ALA 67 Ca -0.45 0.16 0.12 0.00 0.00 0.00 0.00 54.91 54.74 1wry h ALA 67 Cb 1.27 0.58 -0.29 0.00 0.00 0.00 0.00 17.79 19.35 1wry h ALA 67 CO 0.39 -0.58 0.60 0.95 0.00 0.00 0.00 179.25 180.60 1wry s THR 68 N -6.11 0.00 0.00 0.00 -4.23 -1.26 -5.00 115.64 99.04 1wry s THR 68 Ca -0.14 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.37 1wry s THR 68 Cb 0.16 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 73.00 1wry s THR 68 CO 0.70 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.39 1wry n GLY 69 N 2.32 1.95 1.35 3.99 0.00 -1.26 -5.04 105.19 108.50 1wry n GLY 69 Ca -0.13 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.26 -3.43 -2.47 1.61 4.01 -1.26 -4.74 117.16 110.63 1wry n TYR 70 Ca 0.00 1.87 -0.42 0.00 -0.16 0.00 0.00 57.90 59.19 1wry n TYR 70 Cb 0.00 -3.12 -0.03 0.00 -0.31 0.00 0.00 39.34 35.88 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 -4.13 4.47 0.40 -0.72 0.04 -1.26 -4.61 135.00 129.19 1wry s PRO 71 Ca 0.00 1.72 -0.13 0.00 0.04 0.00 0.00 61.00 62.63 1wry s PRO 71 Cb 0.00 -3.35 -0.07 0.00 0.04 0.00 0.00 34.50 31.12 1wry s PRO 71 CO 0.00 -0.18 0.80 -0.48 0.04 0.00 0.00 177.00 177.18 1wry s LEU 72 N 0.84 3.85 0.86 -3.56 0.05 -1.26 -5.04 118.68 114.42 1wry s LEU 72 Ca 0.56 1.25 -0.12 0.00 0.05 0.00 0.00 54.13 55.88 1wry s LEU 72 Cb -0.28 -4.13 0.11 0.00 -2.05 0.00 0.00 46.19 39.84 1wry s LEU 72 CO 0.30 -0.38 1.12 -2.16 -0.55 0.00 0.00 176.35 174.67 1wry s PRO 73 N -3.67 1.57 0.82 1.48 0.04 -1.26 -4.61 135.00 129.38 1wry s PRO 73 Ca 0.53 0.45 -0.12 0.00 0.04 0.00 0.00 61.00 61.91 1wry s PRO 73 Cb -0.10 -1.88 0.09 0.00 0.04 0.00 0.00 34.50 32.65 1wry s PRO 73 CO 0.28 -1.93 1.11 -1.25 0.04 0.00 0.00 177.00 175.24 1wry s PRO 74 N -5.22 1.87 -0.18 0.56 0.04 -1.26 -4.88 135.00 125.93 1wry s PRO 74 Ca 0.62 0.55 -0.04 0.00 0.04 0.00 0.00 61.00 62.18 1wry s PRO 74 Cb -0.15 -1.90 0.06 0.00 0.04 0.00 0.00 34.50 32.55 1wry s PRO 74 CO 0.54 -1.75 0.06 -0.65 0.04 0.00 0.00 177.00 175.23 1wry s GLN 75 N -5.19 0.38 0.20 4.56 -1.52 -1.16 -3.81 119.66 113.13 1wry s GLN 75 Ca 0.61 -0.24 -0.23 0.00 -1.95 0.00 0.00 55.36 53.56 1wry s GLN 75 Cb -0.14 -1.91 -0.08 0.00 -0.22 0.00 0.00 33.01 30.65 1wry s GLN 75 CO 0.54 -0.63 0.77 0.42 -0.25 0.00 0.00 175.29 176.14 1wry s ILE 76 N 1.99 4.43 -0.12 1.08 1.01 -1.05 0.72 121.20 129.26 1wry s ILE 76 Ca 0.01 1.55 -0.06 0.00 0.00 0.00 0.00 60.65 62.15 1wry s ILE 76 Cb -0.16 -4.01 0.05 0.00 0.01 0.00 0.00 42.46 38.35 1wry s ILE 76 CO -0.08 0.36 0.28 -0.36 0.00 0.00 0.00 174.94 175.13 1wry s PHE 77 N -1.34 -0.39 -0.79 3.97 0.40 0.47 -3.48 117.98 116.82 1wry s PHE 77 Ca 0.40 0.89 -0.23 0.00 -0.60 0.00 0.00 56.93 57.39 1wry s PHE 77 Cb -0.20 0.08 0.07 0.00 0.51 0.00 0.00 43.02 43.47 1wry s PHE 77 CO 0.24 -0.26 1.17 1.21 0.70 0.00 0.00 175.22 178.27 1wry s ASN 78 N 1.40 6.31 0.00 1.36 3.84 0.90 0.87 114.94 129.62 1wry s ASN 78 Ca -0.08 -1.11 0.00 0.00 0.21 0.00 0.00 52.86 51.88 1wry s ASN 78 Cb -0.10 -2.48 0.00 0.00 -0.55 0.00 0.00 41.25 38.12 1wry s ASN 78 CO -0.09 -1.50 0.00 -0.62 -2.79 0.00 0.00 177.10 172.10 1wry n GLU 79 N 8.18 0.00 0.00 0.43 1.02 0.77 -1.55 120.64 129.49 1wry n GLU 79 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 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 0.43 1.18 0.00 0.00 177.13 178.74 1wry n SER 80 N 1.35 0.00 -4.66 1.62 7.64 -1.26 -4.83 113.62 113.47 1wry n SER 80 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 1wry n SER 80 Cb 0.00 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 63.37 1wry n SER 80 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1wry s GLN 81 N -1.00 0.57 0.07 1.43 1.11 -0.60 -4.99 119.66 116.26 1wry s GLN 81 Ca 0.00 0.72 0.01 0.00 0.01 0.00 0.00 55.36 56.11 1wry s GLN 81 Cb 0.00 -1.74 -0.04 0.00 -1.01 0.00 0.00 33.01 30.22 1wry s GLN 81 CO 0.00 -2.69 0.16 -0.47 0.01 0.00 0.00 175.29 172.30 1wry s TYR 82 N -2.87 3.39 0.04 0.91 6.14 -1.26 -0.07 117.35 123.63 1wry s TYR 82 Ca 0.65 0.17 0.00 0.00 0.64 0.00 0.00 57.07 58.54 1wry s TYR 82 Cb -0.19 -1.70 0.00 0.00 0.42 0.00 0.00 41.96 40.49 1wry s TYR 82 CO 0.58 0.56 0.00 0.54 0.64 0.00 0.00 175.55 177.87 1wry n ARG 83 N 0.31 0.00 0.00 4.97 5.12 -1.23 -4.79 116.66 121.04 1wry n ARG 83 Ca -0.06 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.86 1wry n ARG 83 Cb 0.51 -0.49 0.00 0.00 -1.16 0.00 0.00 32.46 31.32 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 3.15 -0.06 3.98 -0.13 0.00 -1.26 -5.04 105.19 105.83 1wry n GLY 84 Ca 0.00 -0.99 -0.22 0.00 0.00 0.00 0.00 46.02 44.81 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 0.00 4.98 0.46 1.61 -4.77 -1.26 -2.53 116.67 115.16 1wry s ASP 85 Ca 0.00 -0.94 0.36 0.00 -3.30 0.00 0.00 52.55 48.67 1wry s ASP 85 Cb 0.00 0.21 1.53 0.00 -1.09 0.00 0.00 42.92 43.57 1wry s ASP 85 CO 0.00 -1.17 1.55 0.00 0.70 0.00 0.00 175.17 176.25 1wry n TYR 86 N -2.01 0.56 0.16 2.11 4.19 -1.25 0.15 117.16 121.06 1wry n TYR 86 Ca 0.09 0.56 -0.14 0.00 3.31 0.00 0.00 57.90 61.72 1wry n TYR 86 Cb 0.62 -1.01 -0.08 0.00 0.49 0.00 0.00 39.34 39.36 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 -0.32 0.26 2.98 5.19 -1.92 0.16 116.42 122.77 1wry h ASP 87 Ca 0.89 -0.11 -0.06 0.00 -0.62 0.00 0.00 57.03 57.13 1wry h ASP 87 Cb 3.01 0.08 -0.01 0.00 0.18 0.00 0.00 39.33 42.60 1wry h ASP 87 CO -0.37 -0.08 -0.28 0.00 -3.12 0.00 0.00 179.24 175.39 1wry h ALA 88 N 0.12 1.51 -0.08 3.45 0.00 0.98 -1.16 119.26 124.07 1wry h ALA 88 Ca -0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1wry h ALA 88 Cb 0.40 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1wry h ALA 88 CO 0.06 0.36 0.01 0.35 0.00 0.00 0.00 179.25 180.03 1wry h PHE 89 N 0.02 0.15 -0.04 0.00 3.57 0.34 -0.50 116.94 120.48 1wry h PHE 89 Ca 0.00 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 1wry h PHE 89 Cb 0.50 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.20 1wry h PHE 89 CO 0.00 0.37 0.01 0.35 -2.23 0.00 0.00 178.31 176.81 1wry h PHE 90 N -0.11 0.07 0.03 0.41 3.57 -0.43 -1.86 116.94 118.61 1wry h PHE 90 Ca 0.02 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.54 1wry h PHE 90 Cb 0.31 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.99 1wry h PHE 90 CO 0.02 0.29 -0.25 1.49 -2.23 0.00 0.00 178.31 177.63 1wry h GLU 91 N -0.17 -0.39 -0.00 1.11 4.81 -1.23 0.47 114.58 119.17 1wry h GLU 91 Ca 0.01 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1wry h GLU 91 Cb 0.25 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 1wry h GLU 91 CO 0.00 -0.26 0.09 0.00 -0.73 0.00 0.00 179.01 178.11 1wry h ALA 92 N 0.40 1.12 0.19 2.92 0.00 -1.06 0.41 119.26 123.24 1wry h ALA 92 Ca 0.05 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.65 1wry h ALA 92 Cb 0.48 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.29 1wry h ALA 92 CO -0.20 -0.09 -1.50 -0.09 0.00 0.00 0.00 179.25 177.37 1wry h ARG 93 N 0.00 0.41 -0.78 0.00 2.43 0.39 1.28 114.38 118.10 1wry h ARG 93 Ca 0.00 -0.70 -0.05 0.00 -0.81 0.00 0.00 59.98 58.42 1wry h ARG 93 Cb 0.18 0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 1wry h ARG 93 CO -0.00 1.34 0.30 0.93 -1.51 0.00 0.00 179.97 181.02 1wry h GLU 94 N -0.01 1.18 -0.13 0.20 5.08 0.18 -0.46 114.58 120.63 1wry h GLU 94 Ca -0.29 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1wry h GLU 94 Cb 2.01 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 31.08 1wry h GLU 94 CO 0.19 0.97 0.00 0.09 -1.00 0.00 0.00 179.01 179.26 1wry n ASN 95 N -4.28 0.84 -3.80 1.42 3.02 -0.38 -4.90 115.26 107.18 1wry n ASN 95 Ca 0.07 -1.83 -0.34 0.00 -0.03 0.00 0.00 54.58 52.45 1wry n ASN 95 Cb 0.20 -0.09 0.03 0.00 -0.61 0.00 0.00 39.78 39.31 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 -0.12 -4.55 -0.52 6.41 4.13 -0.18 -4.86 115.26 115.57 1wry n ASN 96 Ca 0.09 -1.08 0.00 0.00 1.68 0.00 0.00 54.58 55.27 1wry n ASN 96 Cb 0.16 -2.97 -0.00 0.00 -1.54 0.00 0.00 39.78 35.43 1wry n ASN 96 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wry n ALA 97 N -4.40 2.01 0.02 5.41 0.00 0.39 -3.89 120.51 120.06 1wry n ALA 97 Ca -0.12 -0.75 -0.13 0.00 0.00 0.00 0.00 53.44 52.44 1wry n ALA 97 Cb 0.59 -0.37 -0.07 0.00 0.00 0.00 0.00 19.45 19.61 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 6.45 0.12 -0.97 0.00 2.07 -0.56 0.15 116.25 123.51 1wry h VAL 98 Ca -0.01 0.00 0.30 0.00 0.82 0.00 0.00 66.70 67.81 1wry h VAL 98 Cb 1.30 0.12 -0.15 0.00 -1.52 0.00 0.00 31.29 31.05 1wry h VAL 98 CO -0.00 0.00 0.46 1.88 0.02 0.00 0.00 177.57 179.93 1wry h TYR 99 N -0.54 0.75 -0.24 1.57 0.05 -1.89 1.55 116.97 118.21 1wry h TYR 99 Ca 0.06 0.04 -0.12 0.00 0.05 0.00 0.00 58.73 58.76 1wry h TYR 99 Cb 0.65 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 38.20 1wry h TYR 99 CO -0.48 -0.20 -0.35 0.00 -1.05 0.00 0.00 178.16 176.08 1wry h ALA 100 N 1.84 0.93 0.00 3.88 0.00 -1.13 1.03 119.26 125.81 1wry h ALA 100 Ca 0.68 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1wry h ALA 100 Cb 1.52 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1wry h ALA 100 CO -0.63 0.62 0.00 0.34 0.00 0.00 0.00 179.25 179.58 1wry n PHE 101 N -4.06 0.00 0.24 0.00 7.35 0.50 -2.24 117.46 119.25 1wry n PHE 101 Ca -0.01 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.72 1wry n PHE 101 Cb 0.48 -0.49 0.06 0.00 0.35 0.00 0.00 39.48 39.87 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 -1.49 1.95 -0.68 -2.13 4.77 0.75 -4.77 117.00 115.39 1wry n LEU 102 Ca 0.06 -1.24 -0.09 0.00 -0.03 0.00 0.00 56.01 54.71 1wry n LEU 102 Cb 0.26 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.27 1wry n LEU 102 CO 0.21 0.42 -0.08 0.61 -1.33 0.00 0.00 177.39 177.22 1wry n GLY 103 N 0.44 1.01 1.64 -0.72 0.00 -0.08 -4.92 105.19 102.55 1wry n GLY 103 Ca 0.06 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.01 0.00 -4.59 0.99 4.77 0.34 -4.98 117.00 112.52 1wry n LEU 104 Ca -0.09 -0.88 -0.30 0.00 -0.03 0.00 0.00 56.01 54.71 1wry n LEU 104 Cb 0.39 -0.28 -0.10 0.00 -2.33 0.00 0.00 43.42 41.10 1wry n LEU 104 CO 0.13 -0.71 -0.41 -0.89 -1.33 0.00 0.00 177.39 174.18 1wry s THR 105 N -1.20 3.46 0.11 -5.08 2.01 -1.26 -4.29 115.64 109.38 1wry s THR 105 Ca 0.28 -1.18 -0.02 0.00 0.31 0.00 0.00 61.69 61.08 1wry s THR 105 Cb -0.02 -2.61 -0.05 0.00 0.01 0.00 0.00 72.50 69.84 1wry s THR 105 CO 0.19 0.15 0.29 0.00 -0.69 0.00 0.00 174.62 174.56 1wry s ALA 106 N -1.20 3.91 0.42 7.40 0.00 -1.26 -4.93 121.76 126.10 1wry s ALA 106 Ca 0.21 -0.74 -0.23 0.00 0.00 0.00 0.00 51.96 51.20 1wry s ALA 106 Cb -0.11 -1.96 -0.09 0.00 0.00 0.00 0.00 23.12 20.96 1wry s ALA 106 CO 0.13 0.72 1.05 -1.25 0.00 0.00 0.00 175.76 176.41 1wry s PRO 107 N -2.69 4.06 -0.75 0.00 0.04 -1.26 -4.94 135.00 129.46 1wry s PRO 107 Ca 0.38 1.48 -0.26 0.00 0.04 0.00 0.00 61.00 62.64 1wry s PRO 107 Cb -0.12 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 31.99 1wry s PRO 107 CO 0.27 -0.22 1.60 -1.25 0.04 0.00 0.00 177.00 177.44 1wry s PRO 108 N -2.69 2.96 0.00 0.56 0.04 -1.26 -3.20 135.00 131.41 1wry s PRO 108 Ca 0.60 -0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.58 1wry s PRO 108 Cb -0.21 -4.54 0.00 0.00 0.04 0.00 0.00 34.50 29.80 1wry s PRO 108 CO 0.26 -2.53 0.00 0.41 0.04 0.00 0.00 177.00 175.17 1wry n GLY 109 N 5.90 0.93 3.07 0.56 0.00 -1.26 -5.13 105.19 109.27 1wry n GLY 109 Ca 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.60 0.42 0.24 1.61 0.01 -1.19 -4.99 113.70 108.20 1wry s SER 110 Ca 0.00 -0.88 -0.15 0.00 1.31 0.00 0.00 55.95 56.24 1wry s SER 110 Cb 0.00 0.18 0.30 0.00 0.21 0.00 0.00 66.02 66.71 1wry s SER 110 CO 0.00 -0.54 1.56 0.50 0.41 0.00 0.00 173.24 175.17 1wry h LYS 111 N 3.45 -0.01 -0.84 12.44 3.64 -1.93 1.54 116.57 134.85 1wry h LYS 111 Ca -0.34 0.00 0.20 0.00 -1.27 0.00 0.00 60.65 59.25 1wry h LYS 111 Cb 1.16 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.85 1wry h LYS 111 CO 0.60 -0.01 0.26 0.93 -2.27 0.00 0.00 179.45 178.96 1wry h GLU 112 N -0.01 0.27 -0.03 1.90 5.08 -1.92 0.84 114.58 120.71 1wry h GLU 112 Ca 0.38 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.64 1wry h GLU 112 Cb 0.63 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1wry h GLU 112 CO -0.97 0.18 -0.28 0.00 -1.00 0.00 0.00 179.01 176.94 1wry h ALA 113 N 1.71 0.07 0.05 3.43 0.00 0.14 -3.35 119.26 121.31 1wry h ALA 113 Ca 0.51 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1wry h ALA 113 Cb 0.96 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1wry h ALA 113 CO -0.57 0.12 -0.07 0.93 0.00 0.00 0.00 179.25 179.66 1wry h GLU 114 N -0.34 -0.12 -6.36 0.00 4.39 0.32 -3.48 114.58 108.99 1wry h GLU 114 Ca -0.03 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 1wry h GLU 114 Cb 0.98 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 1wry h GLU 114 CO 0.06 -0.08 -1.01 0.28 -1.16 0.00 0.00 179.01 177.09 1wry n VAL 115 N -2.75 -2.29 0.15 3.13 0.31 0.27 -4.84 118.33 112.31 1wry n VAL 115 Ca -0.01 0.50 -0.14 0.00 -0.01 0.00 0.00 64.34 64.67 1wry n VAL 115 Cb 0.06 -3.10 -0.08 0.00 -0.91 0.00 0.00 33.84 29.81 1wry n VAL 115 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1wry h SER 116 N 3.48 -1.25 -1.55 4.52 0.87 -1.91 -3.41 113.55 114.30 1wry h SER 116 Ca -0.04 0.12 -0.13 0.00 -1.23 0.00 0.00 61.79 60.52 1wry h SER 116 Cb 1.01 0.44 -0.27 0.00 -0.44 0.00 0.00 62.40 63.15 1wry h SER 116 CO 0.02 -0.49 -0.49 -0.83 -0.53 0.00 0.00 176.83 174.51 1wry s GLY 117 N -1.96 -0.72 -0.15 5.77 0.00 -1.26 -5.13 107.32 103.87 1wry s GLY 117 Ca -0.14 0.54 -0.29 0.00 0.00 0.00 0.00 44.72 44.83 1wry s GLY 117 CO 0.49 3.15 1.27 2.56 0.00 0.00 0.00 173.10 180.57 1wry s PRO 118 N 2.62 4.24 -0.20 2.90 0.04 -1.26 -4.99 135.00 138.34 1wry s PRO 118 Ca 0.11 1.68 -0.07 0.00 0.04 0.00 0.00 61.00 62.75 1wry s PRO 118 Cb -0.12 -3.75 0.09 0.00 0.04 0.00 0.00 34.50 30.76 1wry s PRO 118 CO -0.27 -0.69 0.43 0.45 0.04 0.00 0.00 177.00 176.97 1wry s SER 119 N 1.96 -0.32 0.16 6.66 0.15 -1.26 -5.16 113.70 115.89 1wry s SER 119 Ca 0.55 1.03 -0.19 0.00 0.70 0.00 0.00 55.95 58.04 1wry s SER 119 Cb -0.22 1.39 0.05 0.00 -1.71 0.00 0.00 66.02 65.53 1wry s SER 119 CO 0.16 -0.23 0.51 -0.55 1.20 0.00 0.00 173.24 174.33 1wry s SER 120 N 2.59 -0.37 0.00 5.45 0.15 -1.26 -5.22 113.70 115.04 1wry s SER 120 Ca -0.02 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.38 1wry s SER 120 Cb -0.12 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 1wry s SER 120 CO -0.13 -0.95 0.00 0.61 1.20 0.00 0.00 173.24 173.96