#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 -1.03 -0.00 1.61 0.15 -1.26 -5.16 113.70 108.01 1wry s SER 2 Ca 0.00 0.50 0.01 0.00 0.70 0.00 0.00 55.95 57.15 1wry s SER 2 Cb 0.00 1.80 0.00 0.00 -1.71 0.00 0.00 66.02 66.11 1wry s SER 2 CO 0.00 -0.19 -0.02 -0.44 1.20 0.00 0.00 173.24 173.79 1wry s SER 3 N 2.90 0.30 0.21 5.45 0.01 -1.26 -5.15 113.70 116.16 1wry s SER 3 Ca 0.13 -0.04 -0.07 0.00 1.31 0.00 0.00 55.95 57.27 1wry s SER 3 Cb -0.11 -0.05 -0.06 0.00 0.21 0.00 0.00 66.02 66.00 1wry s SER 3 CO -0.19 0.02 0.49 -0.83 0.41 0.00 0.00 173.24 173.14 1wry s GLY 4 N 0.06 2.20 -0.26 3.44 0.00 -1.26 -5.07 107.32 106.42 1wry s GLY 4 Ca -0.00 -0.41 -0.08 0.00 0.00 0.00 0.00 44.72 44.22 1wry s GLY 4 CO -0.00 -0.30 0.11 -0.45 0.00 0.00 0.00 173.10 172.46 1wry s SER 5 N -2.51 5.40 -0.44 1.64 0.15 -1.26 -5.01 113.70 111.67 1wry s SER 5 Ca 0.45 -0.19 0.05 0.00 0.70 0.00 0.00 55.95 56.96 1wry s SER 5 Cb -0.11 -1.98 0.18 0.00 -1.71 0.00 0.00 66.02 62.40 1wry s SER 5 CO 0.24 -0.05 0.46 -1.20 1.20 0.00 0.00 173.24 173.88 1wry n SER 6 N 4.97 -1.26 0.00 5.45 7.64 -1.26 -5.11 113.62 124.05 1wry n SER 6 Ca -0.15 -2.55 0.00 0.00 1.01 0.00 0.00 58.87 57.18 1wry n SER 6 Cb 0.51 0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 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 2.75 -0.94 2.95 0.23 0.00 -1.26 -5.10 105.19 103.82 1wry n GLY 7 Ca 0.26 -1.07 -0.01 0.00 0.00 0.00 0.00 46.02 45.19 1wry n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1wry s MET 8 N -1.57 0.81 0.07 1.61 0.00 -1.26 -5.13 119.30 113.83 1wry s MET 8 Ca 0.00 -0.55 -0.23 0.00 0.00 0.00 0.00 55.69 54.91 1wry s MET 8 Cb 0.00 0.03 -0.06 0.00 0.00 0.00 0.00 34.83 34.79 1wry s MET 8 CO 0.00 -1.08 0.69 0.08 0.00 0.00 0.00 175.02 174.71 1wry s VAL 9 N 1.41 4.67 -0.47 5.16 1.01 -1.26 -4.97 120.40 125.96 1wry s VAL 9 Ca 0.22 1.47 -0.15 0.00 0.00 0.00 0.00 61.98 63.53 1wry s VAL 9 Cb -0.00 -4.03 0.07 0.00 0.00 0.00 0.00 36.38 32.42 1wry s VAL 9 CO -0.07 0.46 0.38 -0.63 0.00 0.00 0.00 175.10 175.24 1wry s ILE 10 N -0.62 5.11 -0.21 2.22 -1.09 -1.13 -0.44 121.20 125.04 1wry s ILE 10 Ca 0.34 -1.11 -0.09 0.00 -2.23 0.00 0.00 60.65 57.56 1wry s ILE 10 Cb -0.20 -4.06 -0.05 0.00 -1.58 0.00 0.00 42.46 36.57 1wry s ILE 10 CO 0.22 -0.57 0.12 -0.13 -1.23 0.00 0.00 174.94 173.34 1wry s ARG 11 N 1.61 4.07 -0.12 2.79 0.52 0.14 0.21 118.95 128.17 1wry s ARG 11 Ca 0.04 -0.28 -0.00 0.00 -0.52 0.00 0.00 55.73 54.97 1wry s ARG 11 Cb -0.24 -3.40 -0.02 0.00 0.52 0.00 0.00 34.95 31.82 1wry s ARG 11 CO 0.06 0.20 -0.12 0.08 0.02 0.00 0.00 175.30 175.53 1wry s VAL 12 N 0.64 3.12 -0.62 3.52 1.01 -0.40 0.24 120.40 127.91 1wry s VAL 12 Ca 0.06 -0.64 -0.16 0.00 0.00 0.00 0.00 61.98 61.24 1wry s VAL 12 Cb -0.12 -2.31 0.15 0.00 0.00 0.00 0.00 36.38 34.10 1wry s VAL 12 CO 0.01 0.53 0.60 -0.31 0.00 0.00 0.00 175.10 175.92 1wry s TYR 13 N 0.25 3.32 0.39 5.22 1.51 0.11 0.36 117.35 128.51 1wry s TYR 13 Ca -0.09 -1.40 0.08 0.00 -1.01 0.00 0.00 57.07 54.65 1wry s TYR 13 Cb -0.15 -3.84 -0.02 0.00 -0.11 0.00 0.00 41.96 37.84 1wry s TYR 13 CO 0.05 -1.06 0.38 0.96 -1.11 0.00 0.00 175.55 174.78 1wry s ILE 14 N 1.46 3.08 -0.70 2.71 -4.36 0.46 -2.74 121.20 121.11 1wry s ILE 14 Ca 0.08 -1.28 0.04 0.00 -0.26 0.00 0.00 60.65 59.23 1wry s ILE 14 Cb -0.25 -3.09 0.31 0.00 1.25 0.00 0.00 42.46 40.69 1wry s ILE 14 CO 0.01 -0.07 1.06 0.00 0.24 0.00 0.00 174.94 176.18 1wry n ALA 15 N -1.54 4.75 -1.37 2.27 0.00 -1.26 0.22 120.51 123.58 1wry n ALA 15 Ca 0.02 -4.72 -0.54 0.00 0.00 0.00 0.00 53.44 48.20 1wry n ALA 15 Cb 0.60 -1.11 -0.07 0.00 0.00 0.00 0.00 19.45 18.87 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 0.21 0.18 -0.39 0.00 2.88 -1.26 -1.62 113.62 113.61 1wry n SER 16 Ca 0.33 1.03 0.00 0.00 -1.33 0.00 0.00 58.87 58.90 1wry n SER 16 Cb 0.37 -0.81 0.00 0.00 -0.75 0.00 0.00 64.21 63.02 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 1.71 -1.62 -4.67 -3.46 2.88 -1.26 -4.62 113.62 102.58 1wry n SER 17 Ca 0.19 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.32 1wry n SER 17 Cb 0.05 -0.42 -0.04 0.00 -0.75 0.00 0.00 64.21 63.06 1wry n SER 17 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wry s SER 18 N -2.83 7.02 0.18 -3.46 0.15 -0.64 -4.95 113.70 109.17 1wry s SER 18 Ca 0.00 1.26 -0.18 0.00 0.70 0.00 0.00 55.95 57.72 1wry s SER 18 Cb 0.00 -2.48 0.13 0.00 -1.71 0.00 0.00 66.02 61.96 1wry s SER 18 CO 0.00 -0.41 1.63 1.23 1.20 0.00 0.00 173.24 176.89 1wry h GLY 19 N 8.25 0.14 -7.39 9.45 0.00 -1.96 -3.36 103.07 108.19 1wry h GLY 19 Ca -0.30 0.26 -0.50 0.00 0.00 0.00 0.00 47.33 46.79 1wry h GLY 19 CO 0.84 -0.21 1.48 -0.56 0.00 0.00 0.00 176.54 178.10 1wry s SER 20 N -5.16 5.02 0.28 0.19 0.01 -1.26 -4.82 113.70 107.97 1wry s SER 20 Ca -0.14 0.97 0.01 0.00 1.31 0.00 0.00 55.95 58.10 1wry s SER 20 Cb 0.16 -2.51 0.64 0.00 0.21 0.00 0.00 66.02 64.51 1wry s SER 20 CO 0.71 -2.45 1.71 0.74 0.41 0.00 0.00 173.24 174.36 1wry h THR 21 N 7.25 0.55 -0.77 1.44 2.02 -2.01 0.07 112.91 121.45 1wry h THR 21 Ca -0.28 -0.15 0.13 0.00 0.77 0.00 0.00 66.41 66.88 1wry h THR 21 Cb 1.22 0.07 -0.14 0.00 -1.74 0.00 0.00 68.15 67.56 1wry h THR 21 CO 1.14 0.08 -0.34 0.00 0.37 0.00 0.00 175.52 176.77 1wry h ALA 22 N 1.66 0.11 0.28 6.16 0.00 -1.92 0.12 119.26 125.67 1wry h ALA 22 Ca 0.51 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.65 1wry h ALA 22 Cb 0.90 0.84 -0.04 0.00 0.00 0.00 0.00 17.79 19.50 1wry h ALA 22 CO -0.48 -0.62 -0.46 0.82 0.00 0.00 0.00 179.25 178.51 1wry h ILE 23 N -0.08 0.10 -0.97 0.00 2.04 -1.33 0.32 117.51 117.58 1wry h ILE 23 Ca 0.30 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.30 1wry h ILE 23 Cb 0.58 0.10 -0.15 0.00 -0.74 0.00 0.00 36.82 36.60 1wry h ILE 23 CO -0.81 0.00 -0.42 0.11 0.00 0.00 0.00 178.15 177.03 1wry h LYS 24 N -0.80 -0.01 0.56 2.37 1.57 -0.65 0.84 116.57 120.45 1wry h LYS 24 Ca -0.02 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1wry h LYS 24 Cb 0.76 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.07 1wry h LYS 24 CO -0.16 -0.01 -0.36 -0.22 -0.57 0.00 0.00 179.45 178.12 1wry h LYS 25 N -0.01 -0.84 -0.94 3.15 3.64 -0.26 0.20 116.57 121.50 1wry h LYS 25 Ca 0.31 0.06 0.10 0.00 -1.27 0.00 0.00 60.65 59.85 1wry h LYS 25 Cb 0.57 0.19 -0.12 0.00 -0.41 0.00 0.00 32.23 32.46 1wry h LYS 25 CO -0.97 -0.56 -0.56 0.87 -2.27 0.00 0.00 179.45 175.97 1wry h LYS 26 N -0.87 -0.04 -0.50 1.90 1.57 0.16 1.58 116.57 120.38 1wry h LYS 26 Ca -0.08 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.81 1wry h LYS 26 Cb 0.71 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.94 1wry h LYS 26 CO 0.07 -0.02 -0.04 1.96 -0.57 0.00 0.00 179.45 180.84 1wry h GLN 27 N -0.04 0.07 0.00 3.15 4.20 0.77 0.43 115.11 123.69 1wry h GLN 27 Ca 0.18 -0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.86 1wry h GLN 27 Cb 0.45 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 1wry h GLN 27 CO -0.91 0.05 -0.14 1.96 -0.67 0.00 0.00 178.83 179.11 1wry h GLN 28 N 0.07 0.00 -0.01 1.46 4.20 0.32 0.02 115.11 121.18 1wry h GLN 28 Ca 0.25 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.84 1wry h GLN 28 Cb 0.38 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 1wry h GLN 28 CO -0.45 0.14 -0.55 0.22 -0.67 0.00 0.00 178.83 177.52 1wry h ASP 29 N 0.00 0.03 0.87 1.46 3.58 0.63 0.80 116.42 123.80 1wry h ASP 29 Ca -0.00 -0.02 -0.23 0.00 0.42 0.00 0.00 57.03 57.20 1wry h ASP 29 Cb 0.29 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.30 1wry h ASP 29 CO 0.02 0.57 -1.14 0.58 -2.88 0.00 0.00 179.24 176.39 1wry h VAL 30 N 0.02 1.56 0.02 2.25 2.07 0.49 -2.93 116.25 119.73 1wry h VAL 30 Ca -0.00 -3.27 -0.00 0.00 0.82 0.00 0.00 66.70 64.25 1wry h VAL 30 Cb 0.97 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 33.54 1wry h VAL 30 CO 0.07 0.90 -0.01 -0.07 0.02 0.00 0.00 177.57 178.48 1wry h LEU 31 N 0.01 -0.02 -0.88 2.57 3.38 -0.78 -2.97 115.31 116.62 1wry h LEU 31 Ca -0.07 -0.55 0.19 0.00 0.09 0.00 0.00 57.88 57.54 1wry h LEU 31 Cb 1.83 0.01 -0.11 0.00 0.09 0.00 0.00 40.66 42.48 1wry h LEU 31 CO 0.13 0.74 0.41 1.23 0.09 0.00 0.00 178.44 181.04 1wry h GLY 32 N -0.98 1.48 0.96 0.83 0.00 0.49 0.36 103.07 106.21 1wry h GLY 32 Ca -0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 1wry h GLY 32 CO 0.00 -0.18 -0.22 -2.75 0.00 0.00 0.00 176.54 173.39 1wry h PHE 33 N 0.48 -0.58 0.00 5.60 3.04 -1.62 0.79 116.94 124.65 1wry h PHE 33 Ca 0.52 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.46 1wry h PHE 33 Cb 0.91 0.19 -0.00 0.00 2.56 0.00 0.00 35.95 39.61 1wry h PHE 33 CO -0.12 -0.34 -0.00 -0.07 -2.02 0.00 0.00 178.31 175.76 1wry h LEU 34 N -0.68 0.00 0.21 0.59 3.38 -1.09 0.63 115.31 118.35 1wry h LEU 34 Ca -0.06 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.62 1wry h LEU 34 Cb 0.51 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.29 1wry h LEU 34 CO 0.11 0.00 -1.26 -0.33 0.09 0.00 0.00 178.44 177.05 1wry h GLU 35 N 0.00 0.48 0.00 1.13 5.08 0.46 0.92 114.58 122.65 1wry h GLU 35 Ca -0.00 -0.80 -0.08 0.00 -1.00 0.00 0.00 59.36 57.48 1wry h GLU 35 Cb 0.01 0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1wry h GLU 35 CO 0.00 1.38 -0.40 0.00 -1.00 0.00 0.00 179.01 178.99 1wry h ALA 36 N 0.15 0.93 -0.20 3.43 0.00 0.18 -2.23 119.26 121.52 1wry h ALA 36 Ca -0.22 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1wry h ALA 36 Cb 1.99 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.71 1wry h ALA 36 CO 0.24 0.50 0.00 0.09 0.00 0.00 0.00 179.25 180.08 1wry n ASN 37 N -3.48 2.02 -3.99 0.00 3.02 0.21 -4.92 115.26 108.11 1wry n ASN 37 Ca 0.00 -1.77 -0.27 0.00 -0.03 0.00 0.00 54.58 52.51 1wry n ASN 37 Cb 0.55 -0.13 -0.02 0.00 -0.61 0.00 0.00 39.78 39.57 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 0.56 -3.31 -3.51 3.52 4.76 -0.84 -4.93 118.16 114.41 1wry n LYS 38 Ca 0.17 0.40 -0.34 0.00 -2.87 0.00 0.00 58.31 55.67 1wry n LYS 38 Cb 0.39 -4.62 -0.05 0.00 -1.84 0.00 0.00 35.03 28.90 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 -3.86 5.02 -1.29 -0.18 1.01 0.31 -5.00 121.20 117.21 1wry s ILE 39 Ca 0.12 0.46 -0.13 0.00 0.00 0.00 0.00 60.65 61.11 1wry s ILE 39 Cb -0.07 -3.65 0.13 0.00 0.01 0.00 0.00 42.46 38.88 1wry s ILE 39 CO 0.89 0.16 1.78 0.61 0.00 0.00 0.00 174.94 178.39 1wry n GLY 40 N 0.52 3.98 3.97 6.18 0.00 -1.26 -4.73 105.19 113.85 1wry n GLY 40 Ca -0.05 -1.90 -0.21 0.00 0.00 0.00 0.00 46.02 43.86 1wry n GLY 40 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1wry s PHE 41 N 1.73 1.88 0.08 1.61 -0.71 -1.26 -2.85 117.98 118.46 1wry s PHE 41 Ca 0.44 -0.67 0.05 0.00 -1.04 0.00 0.00 56.93 55.71 1wry s PHE 41 Cb 0.06 -2.15 -0.03 0.00 -1.21 0.00 0.00 43.02 39.69 1wry s PHE 41 CO -0.00 -0.70 -0.14 -1.21 -1.34 0.00 0.00 175.22 171.82 1wry s GLU 42 N -4.43 0.84 -0.36 1.99 0.41 0.56 -4.85 118.70 112.86 1wry s GLU 42 Ca 0.51 -0.98 -0.10 0.00 -0.41 0.00 0.00 54.97 53.99 1wry s GLU 42 Cb -0.05 -0.83 0.02 0.00 -1.78 0.00 0.00 34.13 31.49 1wry s GLU 42 CO 0.32 0.18 0.18 -1.21 -0.49 0.00 0.00 175.26 174.24 1wry s GLU 43 N -1.82 2.90 -0.23 1.61 2.02 -1.26 -1.27 118.70 120.64 1wry s GLU 43 Ca -0.01 -1.02 -0.04 0.00 0.02 0.00 0.00 54.97 53.92 1wry s GLU 43 Cb -0.10 -3.66 -0.00 0.00 0.10 0.00 0.00 34.13 30.47 1wry s GLU 43 CO 0.02 -0.64 -0.04 0.15 0.02 0.00 0.00 175.26 174.77 1wry s LYS 44 N 1.54 3.26 -0.07 1.61 -0.14 0.16 -4.96 119.74 121.14 1wry s LYS 44 Ca 0.02 -0.70 -0.19 0.00 -1.36 0.00 0.00 55.97 53.74 1wry s LYS 44 Cb -0.19 -3.03 -0.05 0.00 -1.68 0.00 0.00 37.83 32.89 1wry s LYS 44 CO 0.06 -0.25 0.52 0.34 -0.76 0.00 0.00 175.35 175.26 1wry s ASP 45 N 1.45 6.81 -0.04 2.83 -1.08 -1.25 0.18 116.67 125.56 1wry s ASP 45 Ca 0.05 0.96 0.16 0.00 -0.52 0.00 0.00 52.55 53.20 1wry s ASP 45 Cb -0.15 -2.32 -0.25 0.00 -1.46 0.00 0.00 42.92 38.75 1wry s ASP 45 CO -0.03 0.05 0.32 2.30 0.52 0.00 0.00 175.17 178.33 1wry n ILE 46 N 3.22 0.17 0.16 4.11 -5.35 0.61 -4.01 119.36 118.28 1wry n ILE 46 Ca -0.07 -0.43 -0.15 0.00 -0.27 0.00 0.00 62.75 61.83 1wry n ILE 46 Cb 0.51 0.00 -0.08 0.00 -1.74 0.00 0.00 39.64 38.34 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 1.41 -0.83 -3.00 -1.28 0.00 -1.82 -3.39 119.26 110.35 1wry h ALA 47 Ca -0.07 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1wry h ALA 47 Cb 0.96 0.69 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1wry h ALA 47 CO 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 179.25 178.23 1wry n ALA 48 N -2.81 0.00 -1.50 0.00 0.00 -1.26 -4.79 120.51 110.14 1wry n ALA 48 Ca -0.09 0.00 -0.60 0.00 0.00 0.00 0.00 53.44 52.76 1wry n ALA 48 Cb 0.39 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.75 1wry n ALA 48 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1wry n ASN 49 N -0.23 1.45 -0.03 0.00 4.13 -1.26 -4.83 115.26 114.50 1wry n ASN 49 Ca 0.00 0.84 -0.08 0.00 1.68 0.00 0.00 54.58 57.01 1wry n ASN 49 Cb 0.00 -1.01 -0.07 0.00 -1.54 0.00 0.00 39.78 37.16 1wry n ASN 49 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 1wry h GLU 50 N 8.28 -0.06 -0.97 3.52 4.81 -1.87 -3.17 114.58 125.12 1wry h GLU 50 Ca -0.29 0.00 0.25 0.00 -0.13 0.00 0.00 59.36 59.19 1wry h GLU 50 Cb 1.37 0.01 -0.18 0.00 0.63 0.00 0.00 28.75 30.58 1wry h GLU 50 CO 1.02 0.44 -0.05 -0.85 -0.73 0.00 0.00 179.01 178.85 1wry n GLU 51 N -4.75 -0.08 0.02 1.92 0.28 -1.26 0.17 120.64 116.94 1wry n GLU 51 Ca -0.06 1.47 -0.11 0.00 -0.16 0.00 0.00 57.16 58.31 1wry n GLU 51 Cb 0.26 -2.30 -0.05 0.00 1.43 0.00 0.00 31.44 30.77 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 -0.13 0.28 -1.84 4.21 -1.88 1.18 115.58 117.40 1wry h ASN 52 Ca 0.56 0.03 -0.01 0.00 1.21 0.00 0.00 56.30 58.08 1wry h ASN 52 Cb 1.08 0.07 0.00 0.00 -1.12 0.00 0.00 38.32 38.35 1wry h ASN 52 CO -0.94 -0.06 -0.13 -0.09 -1.29 0.00 0.00 177.43 174.92 1wry h ARG 53 N -0.05 -0.36 0.34 0.81 2.43 0.13 0.49 114.38 118.18 1wry h ARG 53 Ca 0.04 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1wry h ARG 53 Cb 0.10 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1wry h ARG 53 CO -0.09 -0.12 -0.26 -0.22 -1.51 0.00 0.00 179.97 177.77 1wry h LYS 54 N -0.55 -0.56 -0.68 0.20 3.64 0.19 0.13 116.57 118.94 1wry h LYS 54 Ca -0.04 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 1wry h LYS 54 Cb 0.40 0.13 -0.09 0.00 -0.41 0.00 0.00 32.23 32.26 1wry h LYS 54 CO 0.06 -0.37 -0.49 2.35 -2.27 0.00 0.00 179.45 178.73 1wry h TRP 55 N -0.58 -1.55 -0.85 1.91 7.01 0.14 0.60 115.95 122.63 1wry h TRP 55 Ca -0.05 0.10 0.19 0.00 2.11 0.00 0.00 58.89 61.25 1wry h TRP 55 Cb 0.48 0.76 -0.16 0.00 -2.10 0.00 0.00 29.16 28.15 1wry h TRP 55 CO -0.08 -0.35 -0.07 1.98 -2.79 0.00 0.00 178.44 177.13 1wry h MET 56 N -0.11 0.04 -0.94 2.65 4.05 -0.73 0.99 114.93 120.88 1wry h MET 56 Ca 0.11 -0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.56 1wry h MET 56 Cb 0.40 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 31.14 1wry h MET 56 CO -0.70 0.03 0.62 0.00 0.23 0.00 0.00 176.91 177.09 1wry h ARG 57 N 0.04 1.17 0.00 0.39 3.08 0.29 1.17 114.38 120.53 1wry h ARG 57 Ca 0.46 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.43 1wry h ARG 57 Cb 0.80 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1wry h ARG 57 CO -0.81 0.78 0.00 0.39 -1.07 0.00 0.00 179.97 179.26 1wry n GLU 58 N -4.43 0.16 -0.12 0.04 1.02 0.30 -3.48 120.64 114.14 1wry n GLU 58 Ca 0.12 0.25 -0.23 0.00 -0.02 0.00 0.00 57.16 57.29 1wry n GLU 58 Cb 0.08 -1.74 -0.09 0.00 -0.02 0.00 0.00 31.44 29.67 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 -2.03 1.90 -4.48 1.62 5.03 0.10 -4.95 115.26 112.46 1wry n ASN 59 Ca 0.04 0.40 -0.56 0.00 0.87 0.00 0.00 54.58 55.33 1wry n ASN 59 Cb 0.31 -0.88 -0.07 0.00 -1.02 0.00 0.00 39.78 38.12 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 -4.38 0.44 -2.11 2.41 0.31 0.38 -4.87 118.33 110.51 1wry n VAL 60 Ca -0.38 -0.11 -0.33 0.00 -0.01 0.00 0.00 64.34 63.51 1wry n VAL 60 Cb 0.72 -0.02 0.00 0.00 -0.91 0.00 0.00 33.84 33.63 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 -0.21 3.41 0.17 5.55 0.04 -1.26 -4.84 135.00 137.86 1wry s PRO 61 Ca 0.85 1.19 -0.15 0.00 0.04 0.00 0.00 61.00 62.93 1wry s PRO 61 Cb -1.19 -2.05 0.06 0.00 0.04 0.00 0.00 34.50 31.36 1wry s PRO 61 CO 0.57 -0.73 1.83 1.49 0.04 0.00 0.00 177.00 180.20 1wry h GLU 62 N 0.56 0.65 0.00 4.56 4.81 -1.92 0.37 114.58 123.60 1wry h GLU 62 Ca -0.47 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1wry h GLU 62 Cb 1.22 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1wry h GLU 62 CO 0.58 0.43 0.08 -0.91 -0.73 0.00 0.00 179.01 178.46 1wry h ASN 63 N 0.67 0.00 0.05 1.04 4.21 -2.00 0.16 115.58 119.71 1wry h ASN 63 Ca 0.18 0.00 -0.36 0.00 1.21 0.00 0.00 56.30 57.33 1wry h ASN 63 Cb -0.07 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 37.06 1wry h ASN 63 CO -0.04 0.00 -2.32 -0.24 -1.29 0.00 0.00 177.43 173.54 1wry n SER 64 N -2.56 0.15 -4.75 5.81 2.88 0.23 -4.97 113.62 110.41 1wry n SER 64 Ca -0.02 0.04 -0.38 0.00 -1.33 0.00 0.00 58.87 57.19 1wry n SER 64 Cb 0.12 0.85 0.04 0.00 -0.75 0.00 0.00 64.21 64.47 1wry n SER 64 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1wry s ARG 65 N -2.50 3.11 0.88 -1.46 0.52 0.10 -4.94 118.95 114.67 1wry s ARG 65 Ca -0.10 2.13 -0.12 0.00 -0.52 0.00 0.00 55.73 57.11 1wry s ARG 65 Cb 0.06 -2.19 0.12 0.00 0.52 0.00 0.00 34.95 33.47 1wry s ARG 65 CO 0.82 -1.18 1.13 -1.25 0.02 0.00 0.00 175.30 174.85 1wry s PRO 66 N -2.98 1.36 0.26 3.54 0.04 -1.26 -4.92 135.00 131.03 1wry s PRO 66 Ca 0.73 0.37 -0.12 0.00 0.04 0.00 0.00 61.00 62.02 1wry s PRO 66 Cb -0.38 -1.86 0.37 0.00 0.04 0.00 0.00 34.50 32.67 1wry s PRO 66 CO 0.44 -2.06 1.56 0.00 0.04 0.00 0.00 177.00 176.97 1wry h ALA 67 N -1.40 0.46 -2.81 8.56 0.00 -1.95 -3.41 119.26 118.71 1wry h ALA 67 Ca -0.50 0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 1wry h ALA 67 Cb 1.32 0.85 -0.22 0.00 0.00 0.00 0.00 17.79 19.74 1wry h ALA 67 CO 0.61 -0.48 -0.38 -0.08 0.00 0.00 0.00 179.25 178.92 1wry s THR 68 N -6.14 0.04 0.00 0.00 -1.32 -1.26 -5.13 115.64 101.84 1wry s THR 68 Ca -0.15 -0.34 0.00 0.00 -1.21 0.00 0.00 61.69 59.99 1wry s THR 68 Cb 0.24 -0.47 0.00 0.00 -1.51 0.00 0.00 72.50 70.76 1wry s THR 68 CO 0.75 -0.19 0.00 0.61 -2.21 0.00 0.00 174.62 173.59 1wry n GLY 69 N 1.99 -2.50 3.90 6.08 0.00 -1.26 -4.98 105.19 108.41 1wry n GLY 69 Ca -0.18 -1.84 -0.29 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.38 3.39 0.04 1.61 2.02 -1.26 -4.45 117.35 118.32 1wry s TYR 70 Ca 0.00 0.90 -0.30 0.00 -0.37 0.00 0.00 57.07 57.30 1wry s TYR 70 Cb 0.00 -2.77 -0.05 0.00 -0.40 0.00 0.00 41.96 38.74 1wry s TYR 70 CO 0.00 -0.82 1.17 -1.25 -1.57 0.00 0.00 175.55 173.08 1wry s PRO 71 N -5.10 4.44 0.39 -1.71 0.04 -1.26 -4.69 135.00 127.11 1wry s PRO 71 Ca 0.54 1.72 -0.16 0.00 0.04 0.00 0.00 61.00 63.14 1wry s PRO 71 Cb -0.11 -3.38 -0.09 0.00 0.04 0.00 0.00 34.50 30.96 1wry s PRO 71 CO 0.49 -0.25 0.83 -0.51 0.04 0.00 0.00 177.00 177.60 1wry s LEU 72 N 1.17 3.95 0.88 -3.56 1.43 -1.26 -5.04 118.68 116.24 1wry s LEU 72 Ca 0.58 1.42 -0.12 0.00 -1.03 0.00 0.00 54.13 54.98 1wry s LEU 72 Cb -0.28 -4.26 0.12 0.00 0.03 0.00 0.00 46.19 41.79 1wry s LEU 72 CO 0.28 -0.32 1.13 -2.16 0.23 0.00 0.00 176.35 175.51 1wry s PRO 73 N -3.27 1.44 0.92 1.29 0.04 -1.26 -4.64 135.00 129.50 1wry s PRO 73 Ca 0.57 0.40 -0.12 0.00 0.04 0.00 0.00 61.00 61.88 1wry s PRO 73 Cb -0.10 -1.86 0.14 0.00 0.04 0.00 0.00 34.50 32.72 1wry s PRO 73 CO 0.19 -2.01 1.14 -1.25 0.04 0.00 0.00 177.00 175.11 1wry s PRO 74 N -5.24 1.10 -0.14 0.56 0.04 -1.26 -4.90 135.00 125.16 1wry s PRO 74 Ca 0.63 0.27 -0.04 0.00 0.04 0.00 0.00 61.00 61.90 1wry s PRO 74 Cb -0.15 -1.84 0.05 0.00 0.04 0.00 0.00 34.50 32.61 1wry s PRO 74 CO 0.54 -2.22 0.08 -0.65 0.04 0.00 0.00 177.00 174.79 1wry s GLN 75 N -5.29 0.04 0.18 4.56 -1.52 -1.11 -3.95 119.66 112.56 1wry s GLN 75 Ca 0.64 0.02 -0.27 0.00 -1.95 0.00 0.00 55.36 53.79 1wry s GLN 75 Cb -0.14 -1.55 -0.08 0.00 -0.22 0.00 0.00 33.01 31.02 1wry s GLN 75 CO 0.53 -0.60 0.85 0.42 -0.25 0.00 0.00 175.29 176.25 1wry s ILE 76 N 2.14 4.31 -0.11 1.08 1.09 -0.17 0.08 121.20 129.62 1wry s ILE 76 Ca 0.03 1.87 -0.05 0.00 -1.10 0.00 0.00 60.65 61.39 1wry s ILE 76 Cb -0.15 -4.22 0.05 0.00 -1.06 0.00 0.00 42.46 37.08 1wry s ILE 76 CO -0.08 0.48 0.26 -0.36 -0.10 0.00 0.00 174.94 175.14 1wry s PHE 77 N -0.96 -0.35 -0.78 3.97 0.08 0.14 -2.67 117.98 117.39 1wry s PHE 77 Ca 0.39 0.83 -0.22 0.00 0.12 0.00 0.00 56.93 58.05 1wry s PHE 77 Cb -0.24 0.05 0.08 0.00 -0.57 0.00 0.00 43.02 42.33 1wry s PHE 77 CO 0.28 -0.25 1.12 1.21 -0.10 0.00 0.00 175.22 177.48 1wry s ASN 78 N 1.41 6.32 0.00 1.36 3.84 0.24 0.26 114.94 128.36 1wry s ASN 78 Ca -0.08 -1.21 0.00 0.00 0.21 0.00 0.00 52.86 51.78 1wry s ASN 78 Cb -0.10 -2.46 0.00 0.00 -0.55 0.00 0.00 41.25 38.14 1wry s ASN 78 CO -0.09 -1.43 0.00 -0.62 -2.79 0.00 0.00 177.10 172.18 1wry n GLU 79 N 7.86 0.00 0.00 0.43 1.02 0.41 -1.43 120.64 128.93 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 -1.13 1.18 0.00 0.00 177.13 177.18 1wry n SER 80 N 1.29 0.00 -4.75 1.62 3.41 -1.26 -4.84 113.62 109.09 1wry n SER 80 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.30 1wry n SER 80 Cb 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.06 1wry n SER 80 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1wry s GLN 81 N -1.00 1.96 -0.10 4.33 -1.52 -0.52 -4.99 119.66 117.83 1wry s GLN 81 Ca 0.00 1.13 -0.06 0.00 -1.95 0.00 0.00 55.36 54.49 1wry s GLN 81 Cb 0.00 -1.87 -0.04 0.00 -0.22 0.00 0.00 33.01 30.88 1wry s GLN 81 CO 0.00 -1.84 0.13 -0.47 -0.25 0.00 0.00 175.29 172.86 1wry s TYR 82 N -2.89 3.54 -0.06 0.91 6.14 -1.26 0.80 117.35 124.54 1wry s TYR 82 Ca 0.62 0.46 -0.10 0.00 0.64 0.00 0.00 57.07 58.69 1wry s TYR 82 Cb -0.18 -1.90 -0.03 0.00 0.42 0.00 0.00 41.96 40.27 1wry s TYR 82 CO 0.56 0.69 -0.19 0.54 0.64 0.00 0.00 175.55 177.79 1wry n ARG 83 N 1.83 0.30 -3.22 4.97 5.12 -1.09 -4.83 116.66 119.74 1wry n ARG 83 Ca -0.18 0.12 0.02 0.00 -1.93 0.00 0.00 57.85 55.88 1wry n ARG 83 Cb 0.54 -1.02 0.01 0.00 -1.16 0.00 0.00 32.46 30.83 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 2.36 0.28 2.67 -0.13 0.00 -1.25 -5.06 105.19 104.06 1wry n GLY 84 Ca -0.08 -0.95 -0.19 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.67 2.27 -0.38 1.61 5.75 -1.26 -0.99 116.55 122.88 1wry n ASP 85 Ca 0.04 -2.34 0.29 0.00 -0.01 0.00 0.00 54.79 52.77 1wry n ASP 85 Cb 0.36 -0.01 0.56 0.00 -1.03 0.00 0.00 41.12 41.00 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 0.64 0.65 0.18 2.11 5.03 -1.92 0.64 116.97 124.31 1wry h TYR 86 Ca -0.25 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.08 1wry h TYR 86 Cb 0.89 -0.17 0.00 0.00 1.55 0.00 0.00 36.73 39.00 1wry h TYR 86 CO 0.00 -0.11 -0.09 -0.44 -1.32 0.00 0.00 178.16 176.21 1wry h ASP 87 N 0.24 -0.21 0.05 -2.11 5.19 -1.93 0.21 116.42 117.85 1wry h ASP 87 Ca 0.72 -0.05 -0.06 0.00 -0.62 0.00 0.00 57.03 57.02 1wry h ASP 87 Cb 2.00 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 41.56 1wry h ASP 87 CO -0.41 -0.08 -0.17 0.00 -3.12 0.00 0.00 179.24 175.45 1wry h ALA 88 N 0.49 1.43 -0.58 3.45 0.00 -0.47 -0.90 119.26 122.67 1wry h ALA 88 Ca -0.03 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 1wry h ALA 88 Cb 0.25 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1wry h ALA 88 CO 0.04 0.40 0.06 0.35 0.00 0.00 0.00 179.25 180.10 1wry h PHE 89 N 0.23 1.06 -0.11 0.00 3.57 0.57 0.12 116.94 122.39 1wry h PHE 89 Ca 0.04 -0.16 -0.06 0.00 3.53 0.00 0.00 57.97 61.32 1wry h PHE 89 Cb 0.45 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.90 1wry h PHE 89 CO 0.01 0.93 -0.16 0.35 -2.23 0.00 0.00 178.31 177.21 1wry h PHE 90 N 0.89 0.37 0.17 0.41 3.04 -0.14 -2.29 116.94 119.40 1wry h PHE 90 Ca 0.17 -0.12 -0.00 0.00 3.98 0.00 0.00 57.97 62.00 1wry h PHE 90 Cb 0.47 -0.07 -0.01 0.00 2.56 0.00 0.00 35.95 38.90 1wry h PHE 90 CO 0.03 0.75 -0.13 1.49 -2.02 0.00 0.00 178.31 178.44 1wry h GLU 91 N -0.11 -0.30 -0.07 1.11 4.81 -1.13 0.59 114.58 119.48 1wry h GLU 91 Ca 0.01 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1wry h GLU 91 Cb 0.71 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.16 1wry h GLU 91 CO 0.04 -0.20 0.11 0.00 -0.73 0.00 0.00 179.01 178.23 1wry h ALA 92 N 0.50 1.50 0.10 2.92 0.00 -1.02 -1.23 119.26 122.02 1wry h ALA 92 Ca -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1wry h ALA 92 Cb 0.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1wry h ALA 92 CO -0.00 -0.14 -0.05 -0.09 0.00 0.00 0.00 179.25 178.96 1wry h ARG 93 N 0.00 -0.13 -0.87 0.00 2.43 -0.49 0.84 114.38 116.16 1wry h ARG 93 Ca 0.03 0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.36 1wry h ARG 93 Cb 0.25 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.76 1wry h ARG 93 CO -0.00 0.36 0.57 0.93 -1.51 0.00 0.00 179.97 180.32 1wry h GLU 94 N -0.89 0.63 -0.07 0.20 4.39 -0.12 1.29 114.58 120.02 1wry h GLU 94 Ca -0.01 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1wry h GLU 94 Cb 0.55 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1wry h GLU 94 CO 0.02 0.42 0.00 0.09 -1.16 0.00 0.00 179.01 178.38 1wry n ASN 95 N -4.55 0.54 -3.98 1.42 3.02 -0.55 -4.87 115.26 106.30 1wry n ASN 95 Ca 0.17 -1.63 -0.32 0.00 -0.03 0.00 0.00 54.58 52.77 1wry n ASN 95 Cb 0.48 -0.04 -0.02 0.00 -0.61 0.00 0.00 39.78 39.59 1wry n ASN 95 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1wry n ASN 96 N -0.38 -3.51 -0.95 6.41 2.85 0.44 -4.80 115.26 115.32 1wry n ASN 96 Ca 0.12 -0.82 0.05 0.00 -0.11 0.00 0.00 54.58 53.82 1wry n ASN 96 Cb 0.13 -2.88 0.13 0.00 1.24 0.00 0.00 39.78 38.40 1wry n ASN 96 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1wry n ALA 97 N -4.17 3.07 0.31 5.20 0.00 0.27 -4.12 120.51 121.06 1wry n ALA 97 Ca 0.06 -2.86 -0.18 0.00 0.00 0.00 0.00 53.44 50.47 1wry n ALA 97 Cb 0.50 -0.51 -0.09 0.00 0.00 0.00 0.00 19.45 19.35 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 3.54 0.16 -0.97 0.00 2.07 -1.17 -0.94 116.25 118.93 1wry h VAL 98 Ca -0.09 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.75 1wry h VAL 98 Cb 1.38 0.16 -0.16 0.00 -1.52 0.00 0.00 31.29 31.14 1wry h VAL 98 CO 0.04 0.00 0.37 1.88 0.02 0.00 0.00 177.57 179.89 1wry h TYR 99 N -0.94 0.57 -0.61 1.57 0.05 -1.88 1.52 116.97 117.25 1wry h TYR 99 Ca -0.06 0.05 -0.08 0.00 0.05 0.00 0.00 58.73 58.69 1wry h TYR 99 Cb 0.79 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 38.42 1wry h TYR 99 CO -0.17 -0.33 0.06 0.00 -1.05 0.00 0.00 178.16 176.68 1wry h ALA 100 N 1.91 0.81 0.00 3.88 0.00 -1.56 1.06 119.26 125.37 1wry h ALA 100 Ca 0.70 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1wry h ALA 100 Cb 1.64 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1wry h ALA 100 CO -0.73 0.60 0.00 0.34 0.00 0.00 0.00 179.25 179.46 1wry n PHE 101 N -4.25 0.00 0.25 0.00 7.35 0.50 -1.47 117.46 119.84 1wry n PHE 101 Ca 0.03 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.76 1wry n PHE 101 Cb 0.30 -0.47 0.04 0.00 0.35 0.00 0.00 39.48 39.70 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 -1.47 1.80 -1.61 -2.13 4.77 0.24 -4.76 117.00 113.83 1wry n LEU 102 Ca 0.04 -1.16 -0.15 0.00 -0.03 0.00 0.00 56.01 54.71 1wry n LEU 102 Cb 0.17 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 1wry n LEU 102 CO 0.14 0.38 -0.19 0.61 -1.33 0.00 0.00 177.39 177.01 1wry n GLY 103 N 0.39 0.21 3.23 -0.72 0.00 0.30 -4.91 105.19 103.69 1wry n GLY 103 Ca 0.05 -0.25 -0.17 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.10 0.00 -4.61 0.99 4.77 0.34 -4.98 117.00 111.41 1wry n LEU 104 Ca -0.18 -2.12 -0.32 0.00 -0.03 0.00 0.00 56.01 53.36 1wry n LEU 104 Cb 0.61 -0.31 -0.10 0.00 -2.33 0.00 0.00 43.42 41.29 1wry n LEU 104 CO 0.22 -0.66 -0.38 -0.89 -1.33 0.00 0.00 177.39 174.36 1wry s THR 105 N -2.02 3.72 0.07 -5.08 2.01 -1.26 -4.29 115.64 108.79 1wry s THR 105 Ca 0.47 -0.72 -0.03 0.00 0.31 0.00 0.00 61.69 61.72 1wry s THR 105 Cb -0.04 -2.62 -0.05 0.00 0.01 0.00 0.00 72.50 69.81 1wry s THR 105 CO 0.30 0.41 0.27 0.00 -0.69 0.00 0.00 174.62 174.91 1wry s ALA 106 N -0.99 3.91 0.43 7.40 0.00 -1.26 -4.99 121.76 126.26 1wry s ALA 106 Ca 0.17 -0.71 -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 0.07 0.75 1.05 -1.25 0.00 0.00 0.00 175.76 176.38 1wry s PRO 107 N -2.40 4.04 -0.18 0.00 0.04 -1.26 -4.90 135.00 130.34 1wry s PRO 107 Ca 0.35 1.47 -0.29 0.00 0.04 0.00 0.00 61.00 62.57 1wry s PRO 107 Cb -0.13 -2.39 -0.01 0.00 0.04 0.00 0.00 34.50 32.01 1wry s PRO 107 CO 0.24 -0.24 1.29 -1.25 0.04 0.00 0.00 177.00 177.08 1wry s PRO 108 N -2.74 4.18 0.00 0.56 0.04 -1.26 -2.88 135.00 132.90 1wry s PRO 108 Ca 0.61 1.62 0.00 0.00 0.04 0.00 0.00 61.00 63.27 1wry s PRO 108 Cb -0.20 -3.79 0.00 0.00 0.04 0.00 0.00 34.50 30.54 1wry s PRO 108 CO 0.25 -0.78 0.00 0.41 0.04 0.00 0.00 177.00 176.92 1wry n GLY 109 N 3.75 1.05 3.58 0.56 0.00 -1.26 -5.09 105.19 107.78 1wry n GLY 109 Ca 0.14 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.63 1.64 0.09 1.61 0.01 -1.14 -4.67 113.70 110.61 1wry s SER 110 Ca 0.00 1.24 -0.25 0.00 1.31 0.00 0.00 55.95 58.25 1wry s SER 110 Cb 0.00 -1.92 -0.14 0.00 0.21 0.00 0.00 66.02 64.17 1wry s SER 110 CO 0.00 -3.75 1.71 0.50 0.41 0.00 0.00 173.24 172.11 1wry h LYS 111 N -2.32 -0.19 -0.92 12.44 3.11 -1.95 0.19 116.57 126.93 1wry h LYS 111 Ca -0.57 0.01 0.25 0.00 -2.81 0.00 0.00 60.65 57.53 1wry h LYS 111 Cb 1.33 0.04 -0.17 0.00 -1.00 0.00 0.00 32.23 32.44 1wry h LYS 111 CO 0.53 -0.13 0.06 0.93 -2.81 0.00 0.00 179.45 178.04 1wry h GLU 112 N -0.20 0.06 -0.14 1.90 3.07 -1.89 1.45 114.58 118.83 1wry h GLU 112 Ca -0.00 -0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.74 1wry h GLU 112 Cb 0.18 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 1wry h GLU 112 CO -0.01 0.04 -0.37 0.00 -1.40 0.00 0.00 179.01 177.27 1wry h ALA 113 N 1.90 0.24 0.25 3.43 0.00 -1.59 -2.47 119.26 121.01 1wry h ALA 113 Ca 0.56 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1wry h ALA 113 Cb 1.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1wry h ALA 113 CO -0.83 0.32 -0.14 0.93 0.00 0.00 0.00 179.25 179.54 1wry h GLU 114 N 0.12 -0.35 -1.20 0.00 4.39 0.33 -2.48 114.58 115.40 1wry h GLU 114 Ca -0.01 0.02 0.37 0.00 0.34 0.00 0.00 59.36 60.09 1wry h GLU 114 Cb 0.99 0.08 -0.12 0.00 -0.10 0.00 0.00 28.75 29.59 1wry h GLU 114 CO 0.08 -0.23 0.77 -0.24 -1.16 0.00 0.00 179.01 178.23 1wry h VAL 115 N -0.36 0.25 -3.79 3.13 3.04 0.15 -3.47 116.25 115.21 1wry h VAL 115 Ca -0.03 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.59 1wry h VAL 115 Cb 0.28 0.04 0.00 0.00 -2.01 0.00 0.00 31.29 29.61 1wry h VAL 115 CO 0.04 0.03 -0.95 -0.24 -1.01 0.00 0.00 177.57 175.45 1wry n SER 116 N -4.71 -8.72 -1.92 3.17 2.88 -0.93 -5.08 113.62 98.30 1wry n SER 116 Ca 0.33 1.46 0.00 0.00 -1.33 0.00 0.00 58.87 59.33 1wry n SER 116 Cb 1.23 -5.01 0.01 0.00 -0.75 0.00 0.00 64.21 59.69 1wry n SER 116 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wry n GLY 117 N -1.41 0.70 3.79 0.46 0.00 -1.26 -5.04 105.19 102.43 1wry n GLY 117 Ca 0.00 -0.94 -0.29 0.00 0.00 0.00 0.00 46.02 44.79 1wry n GLY 117 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wry s PRO 118 N -2.01 1.22 0.00 1.61 0.04 -1.26 -2.93 135.00 131.67 1wry s PRO 118 Ca 0.10 0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.45 1wry s PRO 118 Cb -0.01 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1wry s PRO 118 CO 0.01 -2.15 0.00 0.45 0.04 0.00 0.00 177.00 175.35 1wry n SER 119 N -3.74 0.00 0.32 6.66 2.88 -1.26 -4.33 113.62 114.15 1wry n SER 119 Ca 0.07 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.43 1wry n SER 119 Cb 0.59 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.96 1wry n SER 119 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1wry h SER 120 N 0.00 -0.99 0.00 -3.46 0.87 -1.85 -3.50 113.55 104.61 1wry h SER 120 Ca 0.00 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1wry h SER 120 Cb 0.00 0.30 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 1wry h SER 120 CO 0.00 -0.58 0.00 0.61 -0.53 0.00 0.00 176.83 176.33