#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 3.20 0.00 1.61 1.04 -1.26 -5.10 113.70 113.19 1wry s SER 2 Ca 0.00 -1.91 0.00 0.00 0.48 0.00 0.00 55.95 54.52 1wry s SER 2 Cb 0.00 -0.42 0.00 0.00 0.10 0.00 0.00 66.02 65.70 1wry s SER 2 CO 0.00 -0.35 0.00 -0.24 0.98 0.00 0.00 173.24 173.63 1wry n SER 3 N 4.42 0.00 0.00 7.02 2.88 -1.26 -5.15 113.62 121.53 1wry n SER 3 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1wry n SER 3 Cb 0.39 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.85 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 -0.04 0.07 3.33 0.46 0.00 -1.26 -5.11 105.19 102.63 1wry n GLY 4 Ca 0.00 0.66 -0.46 0.00 0.00 0.00 0.00 46.02 46.22 1wry n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wry s SER 5 N 0.00 6.28 0.06 1.61 0.01 -1.26 -4.99 113.70 115.40 1wry s SER 5 Ca 0.00 -1.84 -0.27 0.00 1.31 0.00 0.00 55.95 55.15 1wry s SER 5 Cb 0.00 -2.23 0.09 0.00 0.21 0.00 0.00 66.02 64.09 1wry s SER 5 CO 0.00 -0.88 0.84 -0.94 0.41 0.00 0.00 173.24 172.68 1wry s SER 6 N 3.41 -0.37 -0.24 2.44 1.04 -1.26 -5.14 113.70 113.59 1wry s SER 6 Ca 0.07 -0.08 -0.02 0.00 0.48 0.00 0.00 55.95 56.40 1wry s SER 6 Cb -0.26 0.45 0.07 0.00 0.10 0.00 0.00 66.02 66.39 1wry s SER 6 CO 0.02 -0.74 0.06 -0.83 0.98 0.00 0.00 173.24 172.73 1wry s GLY 7 N -2.61 0.78 -0.23 7.32 0.00 -1.26 -4.96 107.32 106.35 1wry s GLY 7 Ca 0.06 -0.99 -0.21 0.00 0.00 0.00 0.00 44.72 43.58 1wry s GLY 7 CO -0.08 1.55 0.35 1.15 0.00 0.00 0.00 173.10 176.07 1wry n MET 8 N 5.02 -1.06 -3.10 2.90 -0.00 -1.26 -4.89 117.12 114.72 1wry n MET 8 Ca -0.07 0.93 -0.32 0.00 -0.00 0.00 0.00 57.70 58.24 1wry n MET 8 Cb 0.45 -1.28 -0.06 0.00 -0.00 0.00 0.00 33.22 32.34 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 -1.01 4.70 -0.31 3.17 1.01 -1.26 -4.97 120.40 121.73 1wry s VAL 9 Ca 0.20 0.89 0.01 0.00 0.00 0.00 0.00 61.98 63.08 1wry s VAL 9 Cb -0.02 -3.63 0.07 0.00 0.00 0.00 0.00 36.38 32.80 1wry s VAL 9 CO 0.45 -0.23 0.00 -0.63 0.00 0.00 0.00 175.10 174.69 1wry s ILE 10 N -2.04 2.63 -0.25 2.22 -1.09 -1.13 -1.81 121.20 119.73 1wry s ILE 10 Ca 0.54 -1.74 -0.11 0.00 -2.23 0.00 0.00 60.65 57.11 1wry s ILE 10 Cb -0.10 -2.64 -0.05 0.00 -1.58 0.00 0.00 42.46 38.09 1wry s ILE 10 CO 0.19 -0.25 0.17 -0.13 -1.23 0.00 0.00 174.94 173.69 1wry s ARG 11 N 1.12 4.02 -0.19 2.79 0.52 0.27 0.22 118.95 127.71 1wry s ARG 11 Ca -0.02 -0.29 -0.05 0.00 -0.52 0.00 0.00 55.73 54.85 1wry s ARG 11 Cb -0.20 -3.57 -0.03 0.00 0.52 0.00 0.00 34.95 31.67 1wry s ARG 11 CO -0.04 -0.02 -0.00 0.08 0.02 0.00 0.00 175.30 175.34 1wry s VAL 12 N 1.28 4.04 -0.52 3.52 1.01 1.00 0.14 120.40 130.86 1wry s VAL 12 Ca 0.07 -0.29 -0.15 0.00 0.00 0.00 0.00 61.98 61.61 1wry s VAL 12 Cb -0.14 -2.81 0.12 0.00 0.00 0.00 0.00 36.38 33.55 1wry s VAL 12 CO 0.06 0.45 0.47 -0.31 0.00 0.00 0.00 175.10 175.77 1wry s TYR 13 N 0.76 3.27 0.32 5.22 1.51 0.32 0.13 117.35 128.88 1wry s TYR 13 Ca 0.00 -1.35 0.07 0.00 -1.01 0.00 0.00 57.07 54.78 1wry s TYR 13 Cb -0.14 -3.71 -0.02 0.00 -0.11 0.00 0.00 41.96 37.98 1wry s TYR 13 CO 0.02 -1.00 0.31 0.96 -1.11 0.00 0.00 175.55 174.74 1wry s ILE 14 N 1.57 3.81 -0.83 2.71 -4.36 0.56 -2.59 121.20 122.07 1wry s ILE 14 Ca 0.03 -1.29 0.02 0.00 -0.26 0.00 0.00 60.65 59.15 1wry s ILE 14 Cb -0.29 -3.28 0.32 0.00 1.25 0.00 0.00 42.46 40.46 1wry s ILE 14 CO 0.03 -0.20 1.34 0.00 0.24 0.00 0.00 174.94 176.35 1wry n ALA 15 N -1.40 5.22 -1.26 2.27 0.00 -1.26 0.21 120.51 124.29 1wry n ALA 15 Ca -0.03 -4.70 -0.46 0.00 0.00 0.00 0.00 53.44 48.26 1wry n ALA 15 Cb 0.59 -1.55 -0.05 0.00 0.00 0.00 0.00 19.45 18.45 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 0.19 -0.59 -1.63 0.00 2.88 -1.26 -1.02 113.62 112.19 1wry n SER 16 Ca 0.36 0.99 -0.10 0.00 -1.33 0.00 0.00 58.87 58.80 1wry n SER 16 Cb 0.33 -0.81 0.02 0.00 -0.75 0.00 0.00 64.21 63.01 1wry n SER 16 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wry n SER 17 N 1.54 -3.70 -4.80 -3.46 7.64 -1.26 -4.54 113.62 105.03 1wry n SER 17 Ca 0.16 -0.18 -0.34 0.00 1.01 0.00 0.00 58.87 59.53 1wry n SER 17 Cb 0.15 -2.44 -0.05 0.00 -1.01 0.00 0.00 64.21 60.86 1wry n SER 17 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wry s SER 18 N -3.00 6.59 -1.24 6.43 0.15 -0.19 -4.95 113.70 117.49 1wry s SER 18 Ca 0.19 1.86 -0.04 0.00 0.70 0.00 0.00 55.95 58.66 1wry s SER 18 Cb -0.08 -2.56 0.16 0.00 -1.71 0.00 0.00 66.02 61.83 1wry s SER 18 CO 0.23 -0.61 2.28 0.61 1.20 0.00 0.00 173.24 176.96 1wry n GLY 19 N -0.30 5.39 3.15 9.45 0.00 -1.26 -4.69 105.19 116.93 1wry n GLY 19 Ca 0.08 -2.16 0.06 0.00 0.00 0.00 0.00 46.02 44.00 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 0.01 -0.20 0.31 1.61 0.01 -1.26 -5.03 113.70 109.15 1wry s SER 20 Ca 0.51 0.04 0.05 0.00 1.31 0.00 0.00 55.95 57.86 1wry s SER 20 Cb 0.19 1.13 0.83 0.00 0.21 0.00 0.00 66.02 68.39 1wry s SER 20 CO -0.11 -0.04 1.62 0.74 0.41 0.00 0.00 173.24 175.87 1wry h THR 21 N 4.41 0.20 -0.73 1.44 2.02 -1.99 0.20 112.91 118.46 1wry h THR 21 Ca -0.11 -0.05 0.09 0.00 0.77 0.00 0.00 66.41 67.12 1wry h THR 21 Cb 1.17 0.05 -0.11 0.00 -1.74 0.00 0.00 68.15 67.52 1wry h THR 21 CO -0.15 0.03 -0.49 0.00 0.37 0.00 0.00 175.52 175.27 1wry h ALA 22 N 1.86 -0.39 0.41 6.16 0.00 -1.98 0.61 119.26 125.93 1wry h ALA 22 Ca 0.62 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.63 1wry h ALA 22 Cb 1.33 1.11 -0.02 0.00 0.00 0.00 0.00 17.79 20.22 1wry h ALA 22 CO -0.73 -0.87 -0.39 0.82 0.00 0.00 0.00 179.25 178.07 1wry h ILE 23 N -0.16 0.00 -0.96 0.00 2.04 -0.95 0.59 117.51 118.07 1wry h ILE 23 Ca 0.18 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.13 1wry h ILE 23 Cb 0.53 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.50 1wry h ILE 23 CO -0.79 0.00 -0.55 0.29 0.00 0.00 0.00 178.15 177.10 1wry n LYS 24 N -4.79 -0.40 0.21 2.37 5.02 -0.48 0.17 118.16 120.25 1wry n LYS 24 Ca -0.10 1.45 -0.14 0.00 -2.02 0.00 0.00 58.31 57.50 1wry n LYS 24 Cb 0.36 -2.13 -0.07 0.00 -0.02 0.00 0.00 35.03 33.17 1wry n LYS 24 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1wry h LYS 25 N 0.00 -0.71 -0.79 1.97 3.64 0.45 0.39 116.57 121.52 1wry h LYS 25 Ca 0.17 0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.69 1wry h LYS 25 Cb 0.41 0.16 -0.11 0.00 -0.41 0.00 0.00 32.23 32.27 1wry h LYS 25 CO -0.90 -0.47 -0.53 0.87 -2.27 0.00 0.00 179.45 176.15 1wry h LYS 26 N -0.74 -0.13 -0.70 1.90 1.57 0.22 1.51 116.57 120.21 1wry h LYS 26 Ca -0.04 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.88 1wry h LYS 26 Cb 0.65 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.90 1wry h LYS 26 CO -0.07 -0.09 0.23 1.96 -0.57 0.00 0.00 179.45 180.92 1wry h GLN 27 N -0.13 0.36 0.00 3.15 4.20 0.20 0.66 115.11 123.55 1wry h GLN 27 Ca 0.17 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.84 1wry h GLN 27 Cb 0.51 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 1wry h GLN 27 CO -0.82 0.24 -0.11 1.96 -0.67 0.00 0.00 178.83 179.43 1wry h GLN 28 N 0.37 0.00 0.00 1.46 4.20 0.45 0.22 115.11 121.82 1wry h GLN 28 Ca 0.38 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.90 1wry h GLN 28 Cb 0.57 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 1wry h GLN 28 CO -0.41 0.11 -0.86 0.22 -0.67 0.00 0.00 178.83 177.22 1wry h ASP 29 N 0.00 0.14 0.54 1.46 1.82 0.76 0.29 116.42 121.43 1wry h ASP 29 Ca -0.00 -0.12 -0.29 0.00 -0.39 0.00 0.00 57.03 56.23 1wry h ASP 29 Cb 0.52 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.49 1wry h ASP 29 CO 0.01 0.93 -1.38 0.58 -1.61 0.00 0.00 179.24 177.78 1wry h VAL 30 N 0.06 1.34 0.19 2.25 2.07 -0.24 -3.04 116.25 118.88 1wry h VAL 30 Ca -0.03 -2.93 -0.01 0.00 0.82 0.00 0.00 66.70 64.55 1wry h VAL 30 Cb 1.49 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 34.14 1wry h VAL 30 CO 0.12 0.86 -0.09 -0.07 0.02 0.00 0.00 177.57 178.40 1wry h LEU 31 N 0.08 -0.22 -0.84 2.57 3.38 -0.97 -2.72 115.31 116.59 1wry h LEU 31 Ca -0.19 -0.24 0.21 0.00 0.09 0.00 0.00 57.88 57.75 1wry h LEU 31 Cb 2.00 0.06 -0.14 0.00 0.09 0.00 0.00 40.66 42.67 1wry h LEU 31 CO 0.19 0.32 0.16 1.23 0.09 0.00 0.00 178.44 180.43 1wry h GLY 32 N -0.96 1.18 0.97 0.83 0.00 -0.56 0.32 103.07 104.84 1wry h GLY 32 Ca -0.03 0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 1wry h GLY 32 CO 0.04 -0.33 -0.41 -2.75 0.00 0.00 0.00 176.54 173.09 1wry h PHE 33 N 0.18 -1.07 -0.13 5.60 3.57 -1.60 0.73 116.94 124.22 1wry h PHE 33 Ca 0.50 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 62.02 1wry h PHE 33 Cb 0.97 0.36 -0.01 0.00 2.79 0.00 0.00 35.95 40.06 1wry h PHE 33 CO -0.32 -0.65 0.24 -0.07 -2.23 0.00 0.00 178.31 175.28 1wry h LEU 34 N -1.11 0.00 0.18 0.59 3.38 -0.87 0.77 115.31 118.25 1wry h LEU 34 Ca -0.11 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.58 1wry h LEU 34 Cb 0.87 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.63 1wry h LEU 34 CO 0.16 0.00 -1.31 -0.33 0.09 0.00 0.00 178.44 177.05 1wry h GLU 35 N 0.00 0.38 0.00 1.13 5.08 0.62 0.64 114.58 122.42 1wry h GLU 35 Ca 0.06 -0.64 -0.08 0.00 -1.00 0.00 0.00 59.36 57.70 1wry h GLU 35 Cb 0.54 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1wry h GLU 35 CO -0.00 1.31 -0.38 0.00 -1.00 0.00 0.00 179.01 178.94 1wry h ALA 36 N 0.08 0.99 -0.31 3.43 0.00 0.29 -2.02 119.26 121.71 1wry h ALA 36 Ca -0.25 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1wry h ALA 36 Cb 1.91 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1wry h ALA 36 CO 0.17 0.48 0.00 0.09 0.00 0.00 0.00 179.25 179.99 1wry n ASN 37 N -3.53 2.25 -4.13 0.00 3.02 0.24 -4.92 115.26 108.20 1wry n ASN 37 Ca -0.00 -1.87 -0.28 0.00 -0.03 0.00 0.00 54.58 52.39 1wry n ASN 37 Cb 0.51 -0.20 -0.06 0.00 -0.61 0.00 0.00 39.78 39.42 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 0.71 -2.12 -3.48 3.52 4.76 -0.76 -4.91 118.16 115.89 1wry n LYS 38 Ca 0.16 0.25 -0.33 0.00 -2.87 0.00 0.00 58.31 55.52 1wry n LYS 38 Cb 0.40 -4.05 -0.05 0.00 -1.84 0.00 0.00 35.03 29.48 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 -4.16 4.99 -1.28 -0.18 1.01 0.22 -5.00 121.20 116.80 1wry s ILE 39 Ca 0.01 0.49 -0.14 0.00 0.00 0.00 0.00 60.65 61.01 1wry s ILE 39 Cb -0.01 -3.65 0.12 0.00 0.01 0.00 0.00 42.46 38.93 1wry s ILE 39 CO 0.94 0.12 1.71 0.61 0.00 0.00 0.00 174.94 178.32 1wry n GLY 40 N 0.40 3.49 3.88 6.18 0.00 -1.26 -4.77 105.19 113.12 1wry n GLY 40 Ca -0.04 -1.80 -0.25 0.00 0.00 0.00 0.00 46.02 43.94 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 2.43 1.88 0.06 1.61 -0.71 -1.26 -2.83 117.98 119.17 1wry s PHE 41 Ca 0.46 -0.76 0.04 0.00 -1.04 0.00 0.00 56.93 55.63 1wry s PHE 41 Cb 0.04 -1.96 -0.03 0.00 -1.21 0.00 0.00 43.02 39.86 1wry s PHE 41 CO 0.02 -0.37 -0.12 -1.21 -1.34 0.00 0.00 175.22 172.20 1wry s GLU 42 N -4.23 0.71 -0.28 1.99 0.41 0.58 -4.86 118.70 113.02 1wry s GLU 42 Ca 0.37 -0.86 -0.09 0.00 -0.41 0.00 0.00 54.97 53.99 1wry s GLU 42 Cb -0.02 -0.62 -0.02 0.00 -1.78 0.00 0.00 34.13 31.69 1wry s GLU 42 CO 0.22 0.13 0.12 -1.21 -0.49 0.00 0.00 175.26 174.03 1wry s GLU 43 N -1.63 3.51 -0.17 1.61 2.02 -1.26 -0.00 118.70 122.78 1wry s GLU 43 Ca -0.05 -0.59 0.01 0.00 0.02 0.00 0.00 54.97 54.36 1wry s GLU 43 Cb -0.10 -3.46 0.01 0.00 0.10 0.00 0.00 34.13 30.69 1wry s GLU 43 CO 0.01 -0.30 -0.18 0.15 0.02 0.00 0.00 175.26 174.96 1wry s LYS 44 N 1.62 3.06 -0.17 1.61 -0.14 0.35 -4.94 119.74 121.13 1wry s LYS 44 Ca 0.05 -0.81 -0.19 0.00 -1.36 0.00 0.00 55.97 53.67 1wry s LYS 44 Cb -0.16 -2.58 -0.04 0.00 -1.68 0.00 0.00 37.83 33.37 1wry s LYS 44 CO 0.05 -0.13 0.51 0.34 -0.76 0.00 0.00 175.35 175.36 1wry s ASP 45 N 1.13 6.62 0.04 2.83 2.15 -1.25 0.21 116.67 128.40 1wry s ASP 45 Ca 0.01 0.74 0.22 0.00 0.43 0.00 0.00 52.55 53.95 1wry s ASP 45 Cb -0.14 -2.29 -0.22 0.00 -0.30 0.00 0.00 42.92 39.96 1wry s ASP 45 CO -0.08 -0.11 0.68 2.30 -0.17 0.00 0.00 175.17 177.79 1wry n ILE 46 N 4.20 0.17 0.39 4.11 -5.35 0.56 -3.37 119.36 120.07 1wry n ILE 46 Ca -0.05 -0.48 -0.19 0.00 -0.27 0.00 0.00 62.75 61.76 1wry n ILE 46 Cb 0.51 -0.04 -0.09 0.00 -1.74 0.00 0.00 39.64 38.27 1wry n ILE 46 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wry h ALA 47 N 2.07 -1.07 -1.94 -1.28 0.00 -1.80 -3.39 119.26 111.86 1wry h ALA 47 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1wry h ALA 47 Cb 0.97 0.50 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1wry h ALA 47 CO 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 179.25 178.14 1wry n ALA 48 N -2.63 0.00 -1.56 0.00 0.00 -1.26 -4.79 120.51 110.27 1wry n ALA 48 Ca -0.14 -0.01 -0.53 0.00 0.00 0.00 0.00 53.44 52.76 1wry n ALA 48 Cb 0.44 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.82 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 -1.12 2.31 -0.07 0.00 5.15 -1.22 -4.84 115.26 115.48 1wry n ASN 49 Ca 0.00 0.74 -0.11 0.00 -0.60 0.00 0.00 54.58 54.61 1wry n ASN 49 Cb 0.00 -1.21 -0.09 0.00 -0.53 0.00 0.00 39.78 37.95 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 9.93 0.00 -0.98 1.20 4.81 -1.85 -3.24 114.58 124.46 1wry h GLU 50 Ca -0.36 0.00 0.17 0.00 -0.13 0.00 0.00 59.36 59.05 1wry h GLU 50 Cb 1.32 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 30.53 1wry h GLU 50 CO 0.99 0.67 -0.32 1.05 -0.73 0.00 0.00 179.01 180.68 1wry h GLU 51 N -1.00 -0.01 0.27 1.92 4.11 -1.94 1.34 114.58 119.27 1wry h GLU 51 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1wry h GLU 51 Cb 0.74 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.95 1wry h GLU 51 CO -0.03 -0.00 -0.48 -0.91 0.07 0.00 0.00 179.01 177.66 1wry h ASN 52 N -0.01 -1.38 0.20 3.06 4.21 -1.89 1.17 115.58 120.93 1wry h ASN 52 Ca 0.40 0.13 0.01 0.00 1.21 0.00 0.00 56.30 58.06 1wry h ASN 52 Cb 0.65 0.49 -0.03 0.00 -1.12 0.00 0.00 38.32 38.31 1wry h ASN 52 CO -0.99 -0.57 -0.32 -0.09 -1.29 0.00 0.00 177.43 174.16 1wry h ARG 53 N -0.81 -0.57 0.04 0.81 2.43 -0.56 0.97 114.38 116.68 1wry h ARG 53 Ca -0.02 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1wry h ARG 53 Cb 0.77 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 1wry h ARG 53 CO -0.18 -0.38 -0.07 -0.22 -1.51 0.00 0.00 179.97 177.60 1wry h LYS 54 N -0.60 -0.12 -0.78 0.20 3.64 0.19 1.24 116.57 120.34 1wry h LYS 54 Ca 0.01 0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.55 1wry h LYS 54 Cb 0.59 0.03 -0.15 0.00 -0.41 0.00 0.00 32.23 32.29 1wry h LYS 54 CO -0.14 -0.08 -0.22 2.35 -2.27 0.00 0.00 179.45 179.09 1wry h TRP 55 N -0.12 -0.51 -0.34 1.91 7.01 0.15 0.52 115.95 124.56 1wry h TRP 55 Ca -0.00 0.07 0.07 0.00 2.11 0.00 0.00 58.89 61.14 1wry h TRP 55 Cb 0.11 0.35 -0.06 0.00 -2.10 0.00 0.00 29.16 27.46 1wry h TRP 55 CO -0.23 -0.35 -0.06 1.98 -2.79 0.00 0.00 178.44 176.99 1wry h MET 56 N -0.02 0.02 0.00 2.65 4.05 0.16 0.82 114.93 122.62 1wry h MET 56 Ca 0.36 -0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.78 1wry h MET 56 Cb 0.58 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.37 1wry h MET 56 CO -0.81 0.02 -0.02 0.00 0.23 0.00 0.00 176.91 176.33 1wry h ARG 57 N 0.02 0.00 0.00 0.39 3.08 0.62 0.58 114.38 119.08 1wry h ARG 57 Ca 0.16 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.15 1wry h ARG 57 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1wry h ARG 57 CO -0.33 0.02 -1.10 0.93 -1.07 0.00 0.00 179.97 178.41 1wry h GLU 58 N 0.00 0.00 0.04 0.04 5.08 0.26 -3.36 114.58 116.64 1wry h GLU 58 Ca -0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1wry h GLU 58 Cb 0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1wry h GLU 58 CO 0.00 0.12 -0.69 -0.91 -1.00 0.00 0.00 179.01 176.53 1wry h ASN 59 N 0.00 0.13 -1.08 1.42 -0.26 0.29 -3.47 115.58 112.61 1wry h ASN 59 Ca -0.06 -0.84 -0.74 0.00 -0.56 0.00 0.00 56.30 54.10 1wry h ASN 59 Cb 1.23 -0.04 0.07 0.00 -1.06 0.00 0.00 38.32 38.52 1wry h ASN 59 CO 0.02 1.29 -0.10 0.52 -1.06 0.00 0.00 177.43 178.11 1wry n VAL 60 N -4.38 0.66 -2.54 2.81 0.31 0.18 -4.87 118.33 110.50 1wry n VAL 60 Ca -0.19 -0.17 -0.34 0.00 -0.01 0.00 0.00 64.34 63.63 1wry n VAL 60 Cb 0.65 -0.07 -0.03 0.00 -0.91 0.00 0.00 33.84 33.47 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 -0.32 3.80 0.47 5.55 0.04 -1.26 -4.89 135.00 138.39 1wry s PRO 61 Ca 0.82 1.36 0.32 0.00 0.04 0.00 0.00 61.00 63.53 1wry s PRO 61 Cb -1.13 -2.09 1.49 0.00 0.04 0.00 0.00 34.50 32.80 1wry s PRO 61 CO 0.56 -0.43 1.95 1.49 0.04 0.00 0.00 177.00 180.61 1wry h GLU 62 N 1.56 0.00 -0.00 4.56 4.81 -1.94 0.14 114.58 123.71 1wry h GLU 62 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 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 -0.19 -1.71 -0.73 0.00 0.00 179.01 176.97 1wry n ASN 63 N -2.73 0.45 -0.02 1.04 5.15 -1.26 -3.36 115.26 114.54 1wry n ASN 63 Ca -0.00 -0.35 0.01 0.00 -0.60 0.00 0.00 54.58 53.64 1wry n ASN 63 Cb 0.19 -0.06 -0.01 0.00 -0.53 0.00 0.00 39.78 39.37 1wry n ASN 63 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1wry n SER 64 N -1.13 0.28 -4.77 1.20 7.64 0.27 -5.03 113.62 112.08 1wry n SER 64 Ca 0.11 -0.64 -0.38 0.00 1.01 0.00 0.00 58.87 58.97 1wry n SER 64 Cb 0.31 0.85 -0.03 0.00 -1.01 0.00 0.00 64.21 64.32 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 -1.06 4.26 0.00 1.43 0.52 0.04 -4.92 118.95 119.22 1wry s ARG 65 Ca 0.01 1.72 0.00 0.00 -0.52 0.00 0.00 55.73 56.94 1wry s ARG 65 Cb 0.02 -2.78 0.00 0.00 0.52 0.00 0.00 34.95 32.71 1wry s ARG 65 CO 0.08 -0.11 0.00 -0.35 0.02 0.00 0.00 175.30 174.95 1wry n PRO 66 N 0.34 0.66 -0.07 3.54 -0.04 -1.26 -4.99 135.00 133.19 1wry n PRO 66 Ca 0.03 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.36 1wry n PRO 66 Cb 0.47 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.88 1wry n PRO 66 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wry n ALA 67 N -3.00 1.96 -0.11 0.55 0.00 -1.26 -4.67 120.51 113.97 1wry n ALA 67 Ca 0.00 -0.57 -0.08 0.00 0.00 0.00 0.00 53.44 52.79 1wry n ALA 67 Cb 0.00 0.27 -0.02 0.00 0.00 0.00 0.00 19.45 19.70 1wry n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wry h THR 68 N -0.33 0.22 0.00 0.00 1.03 -2.05 -3.47 112.91 108.31 1wry h THR 68 Ca -0.34 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.06 1wry h THR 68 Cb 1.37 0.22 0.00 0.00 -1.07 0.00 0.00 68.15 68.67 1wry h THR 68 CO -0.16 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 175.96 1wry n GLY 69 N -1.42 1.16 3.81 2.99 0.00 -1.26 -5.16 105.19 105.31 1wry n GLY 69 Ca 0.01 0.36 -0.29 0.00 0.00 0.00 0.00 46.02 46.09 1wry n GLY 69 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wry s TYR 70 N 2.21 2.73 0.17 1.61 2.02 -1.26 -4.04 117.35 120.78 1wry s TYR 70 Ca 0.00 1.00 -0.30 0.00 -0.37 0.00 0.00 57.07 57.40 1wry s TYR 70 Cb 0.00 -3.25 -0.07 0.00 -0.40 0.00 0.00 41.96 38.24 1wry s TYR 70 CO 0.00 -1.99 1.12 -1.25 -1.57 0.00 0.00 175.55 171.86 1wry s PRO 71 N -5.24 4.56 0.21 -1.71 0.04 -1.26 -4.62 135.00 126.98 1wry s PRO 71 Ca 0.62 1.74 -0.01 0.00 0.04 0.00 0.00 61.00 63.39 1wry s PRO 71 Cb -0.14 -3.28 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 1wry s PRO 71 CO 0.53 0.02 0.41 -0.51 0.04 0.00 0.00 177.00 177.50 1wry s LEU 72 N -0.22 4.21 0.87 -3.56 1.43 -1.26 -5.02 118.68 115.12 1wry s LEU 72 Ca 0.51 0.44 -0.12 0.00 -1.03 0.00 0.00 54.13 53.93 1wry s LEU 72 Cb -0.30 -3.22 0.11 0.00 0.03 0.00 0.00 46.19 42.82 1wry s LEU 72 CO 0.35 -0.06 1.12 -2.16 0.23 0.00 0.00 176.35 175.83 1wry s PRO 73 N -3.35 1.50 0.59 1.29 0.04 -1.26 -4.55 135.00 129.27 1wry s PRO 73 Ca 0.39 0.42 -0.15 0.00 0.04 0.00 0.00 61.00 61.70 1wry s PRO 73 Cb -0.11 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1wry s PRO 73 CO 0.29 -1.98 1.05 -1.25 0.04 0.00 0.00 177.00 175.15 1wry s PRO 74 N -5.23 3.36 -0.22 0.56 0.04 -1.26 -4.88 135.00 127.36 1wry s PRO 74 Ca 0.63 1.15 0.01 0.00 0.04 0.00 0.00 61.00 62.83 1wry s PRO 74 Cb -0.15 -2.04 0.05 0.00 0.04 0.00 0.00 34.50 32.41 1wry s PRO 74 CO 0.54 -0.78 -0.07 -0.65 0.04 0.00 0.00 177.00 176.08 1wry s GLN 75 N -4.16 1.75 -0.08 4.56 -1.52 -1.07 -3.35 119.66 115.79 1wry s GLN 75 Ca 0.63 -0.93 -0.26 0.00 -1.95 0.00 0.00 55.36 52.84 1wry s GLN 75 Cb -0.15 -2.51 -0.03 0.00 -0.22 0.00 0.00 33.01 30.10 1wry s GLN 75 CO 0.38 -0.54 0.83 0.42 -0.25 0.00 0.00 175.29 176.13 1wry s ILE 76 N 1.40 4.94 -0.04 1.08 1.09 0.16 -0.52 121.20 129.31 1wry s ILE 76 Ca -0.04 1.69 0.01 0.00 -1.10 0.00 0.00 60.65 61.20 1wry s ILE 76 Cb -0.18 -4.15 0.02 0.00 -1.06 0.00 0.00 42.46 37.09 1wry s ILE 76 CO -0.07 0.16 -0.02 -0.36 -0.10 0.00 0.00 174.94 174.55 1wry s PHE 77 N 1.27 0.52 -0.68 3.97 0.08 0.12 -2.41 117.98 120.84 1wry s PHE 77 Ca 0.42 -0.10 -0.21 0.00 0.12 0.00 0.00 56.93 57.16 1wry s PHE 77 Cb -0.18 -0.53 0.09 0.00 -0.57 0.00 0.00 43.02 41.82 1wry s PHE 77 CO 0.19 -0.16 0.92 1.21 -0.10 0.00 0.00 175.22 177.28 1wry s ASN 78 N 0.98 6.25 0.00 1.36 3.84 0.51 0.96 114.94 128.84 1wry s ASN 78 Ca -0.10 -1.28 0.00 0.00 0.21 0.00 0.00 52.86 51.69 1wry s ASN 78 Cb -0.14 -2.38 0.00 0.00 -0.55 0.00 0.00 41.25 38.18 1wry s ASN 78 CO -0.01 -1.30 0.00 -0.62 -2.79 0.00 0.00 177.10 172.39 1wry n GLU 79 N 7.15 0.00 0.00 0.43 1.02 -0.75 0.19 120.64 128.69 1wry n GLU 79 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1wry n GLU 79 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.87 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 1.75 0.43 -4.96 1.62 3.41 -1.26 -4.85 113.62 109.76 1wry n SER 80 Ca 0.00 -0.72 -0.19 0.00 -0.26 0.00 0.00 58.87 57.70 1wry n SER 80 Cb 0.00 0.43 -0.01 0.00 -0.26 0.00 0.00 64.21 64.37 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 -0.43 2.93 0.12 4.33 -1.52 0.52 -5.09 119.66 120.52 1wry s GLN 81 Ca 0.00 -1.16 0.07 0.00 -1.95 0.00 0.00 55.36 52.31 1wry s GLN 81 Cb 0.00 -2.71 -0.04 0.00 -0.22 0.00 0.00 33.01 30.04 1wry s GLN 81 CO 0.00 -0.04 -0.04 -0.47 -0.25 0.00 0.00 175.29 174.49 1wry s TYR 82 N -2.27 2.83 0.07 0.91 6.14 -1.26 0.19 117.35 123.96 1wry s TYR 82 Ca 0.47 -0.12 -0.00 0.00 0.64 0.00 0.00 57.07 58.06 1wry s TYR 82 Cb -0.08 -1.44 -0.00 0.00 0.42 0.00 0.00 41.96 40.86 1wry s TYR 82 CO 0.30 0.47 -0.01 0.54 0.64 0.00 0.00 175.55 177.50 1wry n ARG 83 N 0.39 0.01 -3.17 4.97 5.12 -1.01 -4.75 116.66 118.22 1wry n ARG 83 Ca -0.11 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.81 1wry n ARG 83 Cb 0.53 -0.39 0.00 0.00 -1.16 0.00 0.00 32.46 31.45 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 3.46 -1.27 2.31 -0.13 0.00 -1.22 -5.04 105.19 103.29 1wry n GLY 84 Ca -0.00 -0.87 -0.17 0.00 0.00 0.00 0.00 46.02 44.97 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 0.50 2.35 -0.44 1.61 5.75 -1.26 -0.66 116.55 124.39 1wry n ASP 85 Ca 0.00 -2.24 0.38 0.00 -0.01 0.00 0.00 54.79 52.92 1wry n ASP 85 Cb 0.00 0.06 0.70 0.00 -1.03 0.00 0.00 41.12 40.85 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 0.80 0.26 0.84 2.11 5.03 -1.90 0.44 116.97 124.55 1wry h TYR 86 Ca -0.23 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.05 1wry h TYR 86 Cb 0.78 -0.07 0.01 0.00 1.55 0.00 0.00 36.73 39.00 1wry h TYR 86 CO 0.00 -0.05 -0.40 -0.44 -1.32 0.00 0.00 178.16 175.95 1wry h ASP 87 N 0.09 -0.95 -0.43 -2.11 5.19 -1.93 0.20 116.42 116.49 1wry h ASP 87 Ca 0.73 0.03 0.01 0.00 -0.62 0.00 0.00 57.03 57.18 1wry h ASP 87 Cb 2.57 0.25 -0.02 0.00 0.18 0.00 0.00 39.33 42.30 1wry h ASP 87 CO -0.18 -0.61 0.28 0.00 -3.12 0.00 0.00 179.24 175.62 1wry h ALA 88 N -1.21 1.73 0.21 3.45 0.00 -0.99 -0.53 119.26 121.92 1wry h ALA 88 Ca -0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1wry h ALA 88 Cb 0.87 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1wry h ALA 88 CO 0.19 0.24 -0.10 0.35 0.00 0.00 0.00 179.25 179.93 1wry h PHE 89 N 0.55 -0.26 -0.19 0.00 3.57 -0.03 0.24 116.94 120.82 1wry h PHE 89 Ca 0.16 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 1wry h PHE 89 Cb -0.02 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1wry h PHE 89 CO -0.00 -0.08 0.11 0.35 -2.23 0.00 0.00 178.31 176.46 1wry h PHE 90 N -0.39 0.25 0.21 0.41 3.57 -0.07 -1.35 116.94 119.57 1wry h PHE 90 Ca -0.03 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1wry h PHE 90 Cb 0.30 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 1wry h PHE 90 CO -0.03 0.21 -0.18 1.49 -2.23 0.00 0.00 178.31 177.57 1wry h GLU 91 N 0.22 -0.39 -0.13 1.11 4.81 -1.05 0.18 114.58 119.33 1wry h GLU 91 Ca 0.07 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.36 1wry h GLU 91 Cb 0.04 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1wry h GLU 91 CO -0.01 -0.26 0.24 0.00 -0.73 0.00 0.00 179.01 178.25 1wry h ALA 92 N 0.35 1.59 0.12 2.92 0.00 -0.40 0.80 119.26 124.64 1wry h ALA 92 Ca -0.01 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1wry h ALA 92 Cb 0.37 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.19 1wry h ALA 92 CO -0.02 -0.31 -0.74 -0.09 0.00 0.00 0.00 179.25 178.08 1wry h ARG 93 N 0.00 0.26 -0.93 0.00 2.43 0.17 1.40 114.38 117.71 1wry h ARG 93 Ca 0.06 -0.45 -0.01 0.00 -0.81 0.00 0.00 59.98 58.78 1wry h ARG 93 Cb 0.55 0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 30.22 1wry h ARG 93 CO -0.00 1.21 0.55 0.93 -1.51 0.00 0.00 179.97 181.15 1wry h GLU 94 N -0.45 1.28 -0.01 0.20 5.08 0.15 0.12 114.58 120.95 1wry h GLU 94 Ca -0.13 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1wry h GLU 94 Cb 1.57 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1wry h GLU 94 CO 0.13 0.91 0.00 0.09 -1.00 0.00 0.00 179.01 179.14 1wry n ASN 95 N -4.35 0.16 -3.71 1.42 3.02 -0.05 -4.89 115.26 106.87 1wry n ASN 95 Ca 0.10 -1.33 -0.23 0.00 -0.03 0.00 0.00 54.58 53.10 1wry n ASN 95 Cb 0.07 -0.01 0.03 0.00 -0.61 0.00 0.00 39.78 39.26 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 -0.74 -1.81 -1.69 6.41 3.02 0.42 -4.88 115.26 115.99 1wry n ASN 96 Ca 0.17 -0.87 0.02 0.00 -0.03 0.00 0.00 54.58 53.87 1wry n ASN 96 Cb 0.10 -3.88 0.02 0.00 -0.61 0.00 0.00 39.78 35.41 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 -4.23 2.59 0.41 5.41 0.00 0.45 -4.09 120.51 121.06 1wry n ALA 97 Ca -0.27 -2.16 -0.16 0.00 0.00 0.00 0.00 53.44 50.85 1wry n ALA 97 Cb 0.67 -0.71 -0.08 0.00 0.00 0.00 0.00 19.45 19.33 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 6.43 0.00 -1.00 0.00 2.07 -1.08 -0.61 116.25 122.06 1wry h VAL 98 Ca -0.27 0.00 0.35 0.00 0.82 0.00 0.00 66.70 67.60 1wry h VAL 98 Cb 1.72 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 31.30 1wry h VAL 98 CO 0.05 0.00 0.29 1.88 0.02 0.00 0.00 177.57 179.82 1wry h TYR 99 N -1.05 0.40 -0.34 1.57 0.05 -1.89 1.53 116.97 117.24 1wry h TYR 99 Ca -0.10 0.06 -0.04 0.00 0.05 0.00 0.00 58.73 58.69 1wry h TYR 99 Cb 0.81 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.53 1wry h TYR 99 CO 0.03 -0.46 0.06 0.00 -1.05 0.00 0.00 178.16 176.74 1wry h ALA 100 N 1.99 0.46 0.00 3.88 0.00 -1.65 1.14 119.26 125.08 1wry h ALA 100 Ca 0.73 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1wry h ALA 100 Cb 1.75 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1wry h ALA 100 CO -0.85 0.15 0.00 0.34 0.00 0.00 0.00 179.25 178.90 1wry n PHE 101 N -4.59 0.09 0.38 0.00 7.35 0.50 -0.34 117.46 120.85 1wry n PHE 101 Ca -0.02 0.04 0.04 0.00 -0.76 0.00 0.00 57.45 56.76 1wry n PHE 101 Cb 0.22 -0.56 0.03 0.00 0.35 0.00 0.00 39.48 39.51 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 -1.58 1.59 -0.92 -2.13 4.77 0.07 -4.77 117.00 114.02 1wry n LEU 102 Ca 0.01 -0.94 -0.11 0.00 -0.03 0.00 0.00 56.01 54.94 1wry n LEU 102 Cb 0.08 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.13 1wry n LEU 102 CO 0.07 0.31 -0.11 0.61 -1.33 0.00 0.00 177.39 176.94 1wry n GLY 103 N 0.59 1.00 3.08 -0.72 0.00 0.54 -4.94 105.19 104.73 1wry n GLY 103 Ca 0.05 -0.50 -0.17 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.32 0.00 -4.66 0.99 4.77 0.37 -4.97 117.00 112.17 1wry n LEU 104 Ca -0.11 -1.82 -0.32 0.00 -0.03 0.00 0.00 56.01 53.73 1wry n LEU 104 Cb 0.41 -0.43 -0.09 0.00 -2.33 0.00 0.00 43.42 40.98 1wry n LEU 104 CO 0.17 -0.78 -0.34 -0.89 -1.33 0.00 0.00 177.39 174.22 1wry s THR 105 N -2.13 3.99 0.13 -5.08 2.01 -1.26 -4.24 115.64 109.06 1wry s THR 105 Ca 0.50 -0.79 -0.07 0.00 0.31 0.00 0.00 61.69 61.65 1wry s THR 105 Cb -0.03 -2.82 -0.06 0.00 0.01 0.00 0.00 72.50 69.60 1wry s THR 105 CO 0.33 0.28 0.39 0.00 -0.69 0.00 0.00 174.62 174.93 1wry s ALA 106 N -1.15 3.76 0.42 7.40 0.00 -1.26 -4.96 121.76 125.97 1wry s ALA 106 Ca 0.21 -0.49 -0.23 0.00 0.00 0.00 0.00 51.96 51.45 1wry s ALA 106 Cb -0.11 -2.18 -0.09 0.00 0.00 0.00 0.00 23.12 20.73 1wry s ALA 106 CO 0.13 0.63 1.05 -1.25 0.00 0.00 0.00 175.76 176.32 1wry s PRO 107 N -2.42 4.06 -1.22 0.00 0.04 -1.26 -4.93 135.00 129.26 1wry s PRO 107 Ca 0.39 1.48 -0.21 0.00 0.04 0.00 0.00 61.00 62.70 1wry s PRO 107 Cb -0.13 -2.42 -0.01 0.00 0.04 0.00 0.00 34.50 31.99 1wry s PRO 107 CO 0.22 -0.23 1.82 -1.25 0.04 0.00 0.00 177.00 177.60 1wry s PRO 108 N -2.70 3.25 0.00 0.56 0.04 -1.26 -3.21 135.00 131.69 1wry s PRO 108 Ca 0.60 -1.52 0.00 0.00 0.04 0.00 0.00 61.00 60.13 1wry s PRO 108 Cb -0.21 -5.38 0.00 0.00 0.04 0.00 0.00 34.50 28.95 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 5.72 0.18 3.27 0.56 0.00 -1.26 -5.12 105.19 108.53 1wry n GLY 109 Ca 0.46 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.09 0.13 0.20 1.61 0.01 -1.20 -4.99 113.70 109.37 1wry s SER 110 Ca 0.00 -0.91 -0.23 0.00 1.31 0.00 0.00 55.95 56.12 1wry s SER 110 Cb 0.00 0.38 0.11 0.00 0.21 0.00 0.00 66.02 66.72 1wry s SER 110 CO 0.00 -0.82 1.55 0.50 0.41 0.00 0.00 173.24 174.88 1wry h LYS 111 N 2.67 -0.01 -0.61 12.44 3.64 -1.94 1.25 116.57 134.00 1wry h LYS 111 Ca -0.33 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.16 1wry h LYS 111 Cb 1.21 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 32.92 1wry h LYS 111 CO 0.53 -0.01 -0.30 0.93 -2.27 0.00 0.00 179.45 178.33 1wry h GLU 112 N -0.01 -0.12 0.04 1.90 4.39 -1.92 1.23 114.58 120.09 1wry h GLU 112 Ca 0.27 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.97 1wry h GLU 112 Cb 0.52 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1wry h GLU 112 CO -0.96 -0.08 -0.02 0.00 -1.16 0.00 0.00 179.01 176.79 1wry h ALA 113 N 1.15 -0.06 -0.54 3.43 0.00 -0.17 -3.29 119.26 119.79 1wry h ALA 113 Ca 0.25 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1wry h ALA 113 Cb 0.54 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1wry h ALA 113 CO -0.68 -0.46 0.00 0.39 0.00 0.00 0.00 179.25 178.50 1wry n GLU 114 N -5.05 0.00 -3.36 0.00 -0.58 0.38 -4.92 120.64 107.12 1wry n GLU 114 Ca -0.08 0.55 -0.21 0.00 -0.42 0.00 0.00 57.16 57.00 1wry n GLU 114 Cb 0.11 -1.41 0.02 0.00 -0.57 0.00 0.00 31.44 29.59 1wry n GLU 114 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1wry n VAL 115 N -1.98 -3.09 -3.62 2.62 0.31 0.41 -4.99 118.33 107.98 1wry n VAL 115 Ca 0.00 0.29 -0.14 0.00 -0.01 0.00 0.00 64.34 64.48 1wry n VAL 115 Cb 0.00 -3.32 -0.07 0.00 -0.91 0.00 0.00 33.84 29.54 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 -1.25 -0.71 0.00 4.52 0.15 -1.26 -5.11 113.70 110.04 1wry s SER 116 Ca 0.21 1.32 0.00 0.00 0.70 0.00 0.00 55.95 58.18 1wry s SER 116 Cb -0.02 1.32 0.00 0.00 -1.71 0.00 0.00 66.02 65.61 1wry s SER 116 CO 0.47 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.24 1wry n GLY 117 N 2.46 2.01 0.12 9.45 0.00 -1.26 -4.99 105.19 112.99 1wry n GLY 117 Ca -0.14 -1.77 -0.09 0.00 0.00 0.00 0.00 46.02 44.01 1wry n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wry h PRO 118 N 0.00 -0.17 -6.02 1.61 0.13 -2.02 -3.46 132.00 122.07 1wry h PRO 118 Ca 0.00 0.01 -0.78 0.00 -0.87 0.00 0.00 66.00 64.37 1wry h PRO 118 Cb 0.00 0.04 0.05 0.00 0.13 0.00 0.00 31.00 31.22 1wry h PRO 118 CO 0.00 0.25 0.06 0.45 -0.23 0.00 0.00 178.00 178.53 1wry n SER 119 N -4.87 0.04 -4.44 1.44 2.88 -1.26 -4.73 113.62 102.68 1wry n SER 119 Ca -0.07 1.16 -0.45 0.00 -1.33 0.00 0.00 58.87 58.18 1wry n SER 119 Cb 0.25 -0.94 -0.01 0.00 -0.75 0.00 0.00 64.21 62.75 1wry n SER 119 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wry n SER 120 N 1.59 -0.85 0.00 -3.46 3.41 -1.26 -5.04 113.62 108.01 1wry n SER 120 Ca 0.20 1.04 0.00 0.00 -0.26 0.00 0.00 58.87 59.85 1wry n SER 120 Cb 0.10 -1.05 0.00 0.00 -0.26 0.00 0.00 64.21 62.99 1wry n SER 120 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49