#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 -0.06 -0.04 1.61 1.04 -1.26 -5.19 113.70 109.80 1wry s SER 2 Ca 0.00 -0.05 -0.30 0.00 0.48 0.00 0.00 55.95 56.08 1wry s SER 2 Cb 0.00 0.10 0.11 0.00 0.10 0.00 0.00 66.02 66.33 1wry s SER 2 CO 0.00 -0.18 0.99 -0.55 0.98 0.00 0.00 173.24 174.48 1wry s SER 3 N -2.60 -0.29 0.00 7.02 0.15 -1.26 -5.15 113.70 111.58 1wry s SER 3 Ca 0.13 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.74 1wry s SER 3 Cb 0.03 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 1wry s SER 3 CO -0.04 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 174.47 1wry n GLY 4 N -0.23 0.31 2.55 9.45 0.00 -1.26 -5.12 105.19 110.89 1wry n GLY 4 Ca -0.06 -0.64 -0.04 0.00 0.00 0.00 0.00 46.02 45.28 1wry n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wry n SER 5 N 0.00 -3.42 -4.06 1.61 7.64 -1.26 -5.02 113.62 109.11 1wry n SER 5 Ca 0.00 1.48 -0.28 0.00 1.01 0.00 0.00 58.87 61.08 1wry n SER 5 Cb 0.00 -4.96 -0.17 0.00 -1.01 0.00 0.00 64.21 58.07 1wry n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wry s SER 6 N -0.59 2.33 0.00 6.43 0.01 -1.26 -5.06 113.70 115.56 1wry s SER 6 Ca -0.18 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 56.67 1wry s SER 6 Cb 0.01 -1.05 0.00 0.00 0.21 0.00 0.00 66.02 65.19 1wry s SER 6 CO 0.50 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.79 1wry n GLY 7 N 4.03 0.21 2.91 3.44 0.00 -1.26 -5.05 105.19 109.46 1wry n GLY 7 Ca -0.20 -1.35 -0.07 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.00 0.87 -0.01 1.61 0.00 -1.26 -5.10 119.30 113.41 1wry s MET 8 Ca 0.00 -0.79 -0.21 0.00 0.00 0.00 0.00 55.69 54.68 1wry s MET 8 Cb 0.00 -0.25 -0.05 0.00 0.00 0.00 0.00 34.83 34.53 1wry s MET 8 CO 0.00 -1.25 0.63 0.08 0.00 0.00 0.00 175.02 174.48 1wry s VAL 9 N 1.31 4.92 -0.47 5.16 1.01 -1.26 -4.97 120.40 126.10 1wry s VAL 9 Ca 0.22 1.32 -0.16 0.00 0.00 0.00 0.00 61.98 63.35 1wry s VAL 9 Cb -0.05 -3.97 0.06 0.00 0.00 0.00 0.00 36.38 32.42 1wry s VAL 9 CO -0.06 0.38 0.44 -0.63 0.00 0.00 0.00 175.10 175.22 1wry s ILE 10 N 0.03 5.15 -0.23 2.22 -1.09 -1.13 0.22 121.20 126.37 1wry s ILE 10 Ca 0.33 -0.82 -0.10 0.00 -2.23 0.00 0.00 60.65 57.82 1wry s ILE 10 Cb -0.18 -4.13 -0.05 0.00 -1.58 0.00 0.00 42.46 36.52 1wry s ILE 10 CO 0.18 -0.58 0.14 -0.13 -1.23 0.00 0.00 174.94 173.32 1wry s ARG 11 N 1.91 4.04 -0.16 2.79 0.52 0.19 0.20 118.95 128.43 1wry s ARG 11 Ca 0.07 -0.29 -0.02 0.00 -0.52 0.00 0.00 55.73 54.97 1wry s ARG 11 Cb -0.22 -3.48 -0.02 0.00 0.52 0.00 0.00 34.95 31.75 1wry s ARG 11 CO 0.09 0.08 -0.08 0.08 0.02 0.00 0.00 175.30 175.48 1wry s VAL 12 N 0.99 3.32 -0.55 3.52 1.01 0.50 0.51 120.40 129.70 1wry s VAL 12 Ca 0.07 -0.55 -0.17 0.00 0.00 0.00 0.00 61.98 61.33 1wry s VAL 12 Cb -0.13 -2.44 0.12 0.00 0.00 0.00 0.00 36.38 33.92 1wry s VAL 12 CO 0.04 0.49 0.55 -0.31 0.00 0.00 0.00 175.10 175.86 1wry s TYR 13 N 0.70 3.18 0.43 5.22 1.51 0.17 0.41 117.35 128.97 1wry s TYR 13 Ca -0.04 -1.15 0.08 0.00 -1.01 0.00 0.00 57.07 54.95 1wry s TYR 13 Cb -0.15 -3.79 -0.01 0.00 -0.11 0.00 0.00 41.96 37.90 1wry s TYR 13 CO 0.02 -1.07 0.44 0.96 -1.11 0.00 0.00 175.55 174.79 1wry s ILE 14 N 1.93 2.66 -0.68 2.71 -4.36 0.45 -2.80 121.20 121.11 1wry s ILE 14 Ca 0.06 -1.25 0.04 0.00 -0.26 0.00 0.00 60.65 59.24 1wry s ILE 14 Cb -0.28 -2.92 0.31 0.00 1.25 0.00 0.00 42.46 40.83 1wry s ILE 14 CO 0.04 0.00 1.02 0.00 0.24 0.00 0.00 174.94 176.25 1wry n ALA 15 N -1.66 4.70 -1.49 2.27 0.00 -1.26 0.19 120.51 123.26 1wry n ALA 15 Ca 0.05 -4.72 -0.58 0.00 0.00 0.00 0.00 53.44 48.18 1wry n ALA 15 Cb 0.61 -1.03 -0.08 0.00 0.00 0.00 0.00 19.45 18.94 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 0.17 0.94 -0.34 0.00 2.88 -1.26 -0.27 113.62 115.74 1wry n SER 16 Ca 0.32 1.03 0.00 0.00 -1.33 0.00 0.00 58.87 58.89 1wry n SER 16 Cb 0.38 -0.76 0.00 0.00 -0.75 0.00 0.00 64.21 63.07 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 3.25 -1.54 -4.81 -3.46 2.88 -1.26 -4.64 113.62 104.04 1wry n SER 17 Ca 0.26 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.48 1wry n SER 17 Cb -0.04 -0.43 0.03 0.00 -0.75 0.00 0.00 64.21 63.02 1wry n SER 17 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wry s SER 18 N -2.87 5.58 -0.95 -3.46 0.15 0.63 -4.96 113.70 107.81 1wry s SER 18 Ca 0.00 1.71 -0.02 0.00 0.70 0.00 0.00 55.95 58.34 1wry s SER 18 Cb 0.00 -2.51 0.28 0.00 -1.71 0.00 0.00 66.02 62.08 1wry s SER 18 CO 0.00 -1.31 2.05 0.61 1.20 0.00 0.00 173.24 175.79 1wry n GLY 19 N -1.50 5.67 3.15 9.45 0.00 -1.26 -4.75 105.19 115.95 1wry n GLY 19 Ca 0.08 -2.42 0.05 0.00 0.00 0.00 0.00 46.02 43.73 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 -0.89 -0.64 0.25 1.61 0.01 -1.26 -5.04 113.70 107.73 1wry s SER 20 Ca 0.47 0.12 -0.12 0.00 1.31 0.00 0.00 55.95 57.73 1wry s SER 20 Cb 0.29 1.42 0.34 0.00 0.21 0.00 0.00 66.02 68.28 1wry s SER 20 CO -0.23 -0.12 1.58 0.74 0.41 0.00 0.00 173.24 175.62 1wry h THR 21 N 4.89 0.12 -0.91 1.44 2.02 -2.00 0.23 112.91 118.70 1wry h THR 21 Ca -0.09 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.21 1wry h THR 21 Cb 1.18 0.12 -0.13 0.00 -1.74 0.00 0.00 68.15 67.57 1wry h THR 21 CO -0.05 0.00 -0.48 0.00 0.37 0.00 0.00 175.52 175.36 1wry h ALA 22 N 1.72 -0.23 0.27 6.16 0.00 -1.99 0.18 119.26 125.38 1wry h ALA 22 Ca 0.39 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.48 1wry h ALA 22 Cb 0.62 1.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.52 1wry h ALA 22 CO -0.89 -0.81 -0.52 0.82 0.00 0.00 0.00 179.25 177.86 1wry h ILE 23 N -0.05 0.01 -0.93 0.00 2.04 -0.91 0.74 117.51 118.41 1wry h ILE 23 Ca 0.24 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.27 1wry h ILE 23 Cb 0.52 0.01 -0.16 0.00 -0.74 0.00 0.00 36.82 36.44 1wry h ILE 23 CO -0.91 0.00 -0.29 0.29 0.00 0.00 0.00 178.15 177.24 1wry n LYS 24 N -5.52 -0.14 0.31 2.37 5.02 0.28 0.13 118.16 120.61 1wry n LYS 24 Ca -0.10 1.44 -0.13 0.00 -2.02 0.00 0.00 58.31 57.51 1wry n LYS 24 Cb 0.43 -2.15 -0.06 0.00 -0.02 0.00 0.00 35.03 33.24 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 -0.79 -0.96 1.97 3.64 0.21 0.18 116.57 120.82 1wry h LYS 25 Ca 0.39 0.05 0.27 0.00 -1.27 0.00 0.00 60.65 60.09 1wry h LYS 25 Cb 0.62 0.18 -0.18 0.00 -0.41 0.00 0.00 32.23 32.45 1wry h LYS 25 CO -0.94 -0.53 0.04 1.63 -2.27 0.00 0.00 179.45 177.38 1wry n LYS 26 N -4.69 -0.08 -0.15 1.90 5.02 0.25 0.23 118.16 120.65 1wry n LYS 26 Ca -0.10 1.43 -0.11 0.00 -2.02 0.00 0.00 58.31 57.51 1wry n LYS 26 Cb 0.32 -2.28 -0.01 0.00 -0.02 0.00 0.00 35.03 33.04 1wry n LYS 26 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1wry h GLN 27 N 0.00 0.82 -0.43 1.97 4.20 0.12 -2.11 115.11 119.68 1wry h GLN 27 Ca 0.59 -0.31 -0.06 0.00 0.06 0.00 0.00 58.65 58.93 1wry h GLN 27 Cb 1.22 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.94 1wry h GLN 27 CO -0.89 0.93 0.03 -0.56 -0.67 0.00 0.00 178.83 177.67 1wry h GLN 28 N 0.65 0.74 0.00 1.46 3.07 0.59 0.25 115.11 121.87 1wry h GLN 28 Ca 0.11 -0.22 -0.00 0.00 0.09 0.00 0.00 58.65 58.62 1wry h GLN 28 Cb 0.62 -0.07 -0.00 0.00 0.08 0.00 0.00 27.48 28.11 1wry h GLN 28 CO 0.04 0.80 -0.02 0.22 0.09 0.00 0.00 178.83 179.96 1wry h ASP 29 N 0.58 0.00 0.23 0.06 3.58 0.27 2.06 116.42 123.21 1wry h ASP 29 Ca 0.12 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 57.23 1wry h ASP 29 Cb 0.45 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.51 1wry h ASP 29 CO 0.02 0.02 -1.69 0.58 -2.88 0.00 0.00 179.24 175.29 1wry h VAL 30 N 0.00 1.01 0.18 2.25 2.07 -0.67 -3.01 116.25 118.08 1wry h VAL 30 Ca -0.00 -2.57 -0.01 0.00 0.82 0.00 0.00 66.70 64.94 1wry h VAL 30 Cb 0.05 2.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 1wry h VAL 30 CO 0.00 0.85 -0.08 -0.07 0.02 0.00 0.00 177.57 178.29 1wry h LEU 31 N 0.11 -0.20 -0.99 2.57 3.38 0.68 -2.58 115.31 118.27 1wry h LEU 31 Ca -0.32 -0.29 0.22 0.00 0.09 0.00 0.00 57.88 57.58 1wry h LEU 31 Cb 2.11 0.05 -0.12 0.00 0.09 0.00 0.00 40.66 42.79 1wry h LEU 31 CO 0.19 0.36 0.58 1.23 0.09 0.00 0.00 178.44 180.89 1wry h GLY 32 N -0.94 1.83 0.86 0.83 0.00 0.31 0.38 103.07 106.34 1wry h GLY 32 Ca -0.02 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 1wry h GLY 32 CO 0.04 -0.17 -0.22 -2.75 0.00 0.00 0.00 176.54 173.44 1wry h PHE 33 N 0.64 -0.57 0.00 5.60 3.57 -1.57 1.01 116.94 125.63 1wry h PHE 33 Ca 0.61 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 62.09 1wry h PHE 33 Cb 1.07 0.19 -0.00 0.00 2.79 0.00 0.00 35.95 40.00 1wry h PHE 33 CO -0.02 -0.28 -0.01 -0.07 -2.23 0.00 0.00 178.31 175.71 1wry h LEU 34 N -0.76 0.00 0.11 0.59 3.38 -0.82 0.38 115.31 118.19 1wry h LEU 34 Ca -0.06 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.75 1wry h LEU 34 Cb 0.54 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.31 1wry h LEU 34 CO 0.10 0.01 -0.72 -0.33 0.09 0.00 0.00 178.44 177.59 1wry h GLU 35 N 0.00 0.24 -0.21 1.13 5.08 0.23 1.35 114.58 122.40 1wry h GLU 35 Ca -0.00 -0.41 -0.06 0.00 -1.00 0.00 0.00 59.36 57.89 1wry h GLU 35 Cb 0.02 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1wry h GLU 35 CO 0.00 1.20 -0.15 0.00 -1.00 0.00 0.00 179.01 179.05 1wry h ALA 36 N 0.05 1.36 -0.28 3.43 0.00 0.19 -0.07 119.26 123.94 1wry h ALA 36 Ca -0.13 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1wry h ALA 36 Cb 1.54 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1wry h ALA 36 CO 0.11 0.43 0.00 0.09 0.00 0.00 0.00 179.25 179.89 1wry n ASN 37 N -4.22 1.68 -4.20 0.00 3.02 0.12 -4.90 115.26 106.77 1wry n ASN 37 Ca -0.00 -1.92 -0.30 0.00 -0.03 0.00 0.00 54.58 52.32 1wry n ASN 37 Cb 0.31 -0.19 -0.06 0.00 -0.61 0.00 0.00 39.78 39.23 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 0.39 -2.01 -3.10 3.52 4.76 -0.04 -4.90 118.16 116.79 1wry n LYS 38 Ca 0.12 0.24 -0.31 0.00 -2.87 0.00 0.00 58.31 55.49 1wry n LYS 38 Cb 0.28 -4.18 -0.05 0.00 -1.84 0.00 0.00 35.03 29.25 1wry n LYS 38 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1wry s ILE 39 N -4.02 4.78 -1.25 -0.18 1.01 0.46 -4.99 121.20 117.00 1wry s ILE 39 Ca 0.15 0.71 -0.12 0.00 0.00 0.00 0.00 60.65 61.39 1wry s ILE 39 Cb -0.08 -3.66 0.17 0.00 0.01 0.00 0.00 42.46 38.90 1wry s ILE 39 CO 0.95 -0.29 1.66 0.61 0.00 0.00 0.00 174.94 177.87 1wry n GLY 40 N -0.68 4.05 3.92 6.18 0.00 -1.26 -4.74 105.19 112.67 1wry n GLY 40 Ca 0.02 -2.05 -0.23 0.00 0.00 0.00 0.00 46.02 43.76 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 0.99 1.98 0.00 1.61 -0.71 -1.26 -2.83 117.98 117.76 1wry s PHE 41 Ca 0.41 -0.69 0.04 0.00 -1.04 0.00 0.00 56.93 55.65 1wry s PHE 41 Cb 0.03 -2.08 -0.01 0.00 -1.21 0.00 0.00 43.02 39.76 1wry s PHE 41 CO 0.00 -0.49 -0.11 -1.21 -1.34 0.00 0.00 175.22 172.07 1wry s GLU 42 N -4.31 0.88 -0.30 1.99 2.02 0.53 -4.86 118.70 114.65 1wry s GLU 42 Ca 0.45 -0.47 -0.15 0.00 0.02 0.00 0.00 54.97 54.82 1wry s GLU 42 Cb -0.03 -0.85 -0.03 0.00 0.10 0.00 0.00 34.13 33.32 1wry s GLU 42 CO 0.27 0.23 0.38 -1.21 0.02 0.00 0.00 175.26 174.95 1wry s GLU 43 N -0.46 3.82 -0.23 1.61 2.02 -1.26 -0.37 118.70 123.83 1wry s GLU 43 Ca 0.03 -0.15 0.01 0.00 0.02 0.00 0.00 54.97 54.88 1wry s GLU 43 Cb -0.05 -3.72 0.03 0.00 0.10 0.00 0.00 34.13 30.49 1wry s GLU 43 CO -0.00 -0.40 -0.13 0.15 0.02 0.00 0.00 175.26 174.90 1wry s LYS 44 N 2.08 2.70 -0.20 1.61 -0.14 0.17 -4.95 119.74 121.00 1wry s LYS 44 Ca 0.14 -1.05 -0.20 0.00 -1.36 0.00 0.00 55.97 53.51 1wry s LYS 44 Cb -0.16 -2.80 -0.03 0.00 -1.68 0.00 0.00 37.83 33.16 1wry s LYS 44 CO 0.11 -0.39 0.57 0.34 -0.76 0.00 0.00 175.35 175.23 1wry s ASP 45 N 1.24 6.62 0.06 2.83 2.15 -1.25 0.17 116.67 128.48 1wry s ASP 45 Ca -0.01 0.74 0.24 0.00 0.43 0.00 0.00 52.55 53.95 1wry s ASP 45 Cb -0.16 -2.32 0.20 0.00 -0.30 0.00 0.00 42.92 40.34 1wry s ASP 45 CO -0.08 -0.23 1.17 2.30 -0.17 0.00 0.00 175.17 178.16 1wry n ILE 46 N 4.65 0.20 0.14 4.11 -5.35 0.52 -3.95 119.36 119.68 1wry n ILE 46 Ca -0.03 -0.21 -0.06 0.00 -0.27 0.00 0.00 62.75 62.18 1wry n ILE 46 Cb 0.50 0.13 -0.03 0.00 -1.74 0.00 0.00 39.64 38.50 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 2.61 -0.49 -0.53 -1.28 0.00 -1.83 -3.31 119.26 114.44 1wry h ALA 47 Ca 0.00 -0.09 -0.53 0.00 0.00 0.00 0.00 54.91 54.28 1wry h ALA 47 Cb 0.69 0.16 -0.16 0.00 0.00 0.00 0.00 17.79 18.48 1wry h ALA 47 CO 0.00 -0.46 0.76 0.00 0.00 0.00 0.00 179.25 179.55 1wry n ALA 48 N -2.60 6.53 0.00 0.00 0.00 -1.26 -4.58 120.51 118.60 1wry n ALA 48 Ca -0.05 -3.20 0.00 0.00 0.00 0.00 0.00 53.44 50.18 1wry n ALA 48 Cb 0.17 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.34 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 1.11 0.00 -0.03 0.00 5.03 -1.24 -4.96 115.26 115.16 1wry n ASN 49 Ca 0.51 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.83 1wry n ASN 49 Cb 0.51 0.00 -0.11 0.00 -1.02 0.00 0.00 39.78 39.16 1wry n ASN 49 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 1wry h GLU 50 N 0.00 0.04 -0.97 3.52 4.81 -1.81 -3.07 114.58 117.10 1wry h GLU 50 Ca 0.00 -0.03 0.24 0.00 -0.13 0.00 0.00 59.36 59.45 1wry h GLU 50 Cb 0.00 0.01 -0.18 0.00 0.63 0.00 0.00 28.75 29.20 1wry h GLU 50 CO 0.00 0.66 -0.06 -0.85 -0.73 0.00 0.00 179.01 178.03 1wry n GLU 51 N -4.75 -0.08 0.49 1.92 0.28 -1.26 0.19 120.64 117.44 1wry n GLU 51 Ca -0.09 1.47 -0.20 0.00 -0.16 0.00 0.00 57.16 58.18 1wry n GLU 51 Cb 0.33 -2.29 -0.09 0.00 1.43 0.00 0.00 31.44 30.82 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 -1.06 -0.33 -1.84 4.21 -1.89 0.42 115.58 115.10 1wry h ASN 52 Ca 0.55 0.03 0.07 0.00 1.21 0.00 0.00 56.30 58.16 1wry h ASN 52 Cb 1.06 0.27 -0.07 0.00 -1.12 0.00 0.00 38.32 38.46 1wry h ASN 52 CO -0.93 -0.73 -0.11 -0.09 -1.29 0.00 0.00 177.43 174.27 1wry h ARG 53 N -1.30 -0.04 0.00 0.81 2.43 -0.30 0.99 114.38 116.97 1wry h ARG 53 Ca -0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1wry h ARG 53 Cb 0.96 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1wry h ARG 53 CO 0.21 -0.03 0.00 1.17 -1.51 0.00 0.00 179.97 179.81 1wry n LYS 54 N -5.30 0.00 -0.29 0.20 4.81 0.51 -0.01 118.16 118.08 1wry n LYS 54 Ca 0.01 0.55 -0.05 0.00 -0.87 0.00 0.00 58.31 57.94 1wry n LYS 54 Cb 0.21 -1.45 -0.01 0.00 0.02 0.00 0.00 35.03 33.80 1wry n LYS 54 CO 0.00 0.00 0.00 2.35 1.17 0.00 0.00 177.40 180.92 1wry h TRP 55 N 0.00 -1.21 -0.76 5.64 7.01 -0.02 0.58 115.95 127.19 1wry h TRP 55 Ca 0.00 0.09 0.16 0.00 2.11 0.00 0.00 58.89 61.25 1wry h TRP 55 Cb 0.00 0.64 -0.14 0.00 -2.10 0.00 0.00 29.16 27.56 1wry h TRP 55 CO 0.01 -0.40 -0.16 1.98 -2.79 0.00 0.00 178.44 177.08 1wry h MET 56 N -0.11 0.01 -0.73 2.65 4.05 0.12 0.48 114.93 121.40 1wry h MET 56 Ca 0.25 -0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.68 1wry h MET 56 Cb 0.56 -0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.31 1wry h MET 56 CO -0.82 0.01 0.48 0.00 0.23 0.00 0.00 176.91 176.80 1wry h ARG 57 N 0.01 0.94 0.00 0.39 3.08 0.38 0.43 114.38 119.61 1wry h ARG 57 Ca 0.37 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.36 1wry h ARG 57 Cb 0.58 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 1wry h ARG 57 CO -0.77 0.62 -0.03 0.93 -1.07 0.00 0.00 179.97 179.66 1wry h GLU 58 N 0.97 0.00 0.03 0.04 4.39 0.22 -2.77 114.58 117.46 1wry h GLU 58 Ca 0.27 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.78 1wry h GLU 58 Cb -0.08 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 1wry h GLU 58 CO -0.07 0.03 -1.02 -0.91 -1.16 0.00 0.00 179.01 175.87 1wry h ASN 59 N 0.00 0.09 -1.71 1.42 -0.26 0.14 -3.47 115.58 111.79 1wry h ASN 59 Ca -0.00 -0.70 -0.67 0.00 -0.56 0.00 0.00 56.30 54.36 1wry h ASN 59 Cb 0.27 -0.03 0.07 0.00 -1.06 0.00 0.00 38.32 37.58 1wry h ASN 59 CO 0.00 1.42 0.21 0.52 -1.06 0.00 0.00 177.43 178.52 1wry n VAL 60 N -4.34 0.71 -2.37 2.81 0.31 0.13 -4.88 118.33 110.71 1wry n VAL 60 Ca -0.26 -0.18 -0.33 0.00 -0.01 0.00 0.00 64.34 63.56 1wry n VAL 60 Cb 0.69 -0.67 -0.02 0.00 -0.91 0.00 0.00 33.84 32.94 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 -0.24 3.64 0.35 5.55 0.04 -1.26 -4.85 135.00 138.24 1wry s PRO 61 Ca 0.77 1.29 0.05 0.00 0.04 0.00 0.00 61.00 63.14 1wry s PRO 61 Cb -0.93 -2.07 0.65 0.00 0.04 0.00 0.00 34.50 32.19 1wry s PRO 61 CO 0.52 -0.55 1.91 1.49 0.04 0.00 0.00 177.00 180.41 1wry h GLU 62 N 1.15 0.53 0.00 4.56 4.81 -1.93 0.44 114.58 124.15 1wry h GLU 62 Ca -0.48 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 58.65 1wry h GLU 62 Cb 1.22 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1wry h GLU 62 CO 0.59 0.51 0.00 -1.71 -0.73 0.00 0.00 179.01 177.67 1wry n ASN 63 N -4.32 0.00 -0.02 1.04 5.15 -1.26 -2.04 115.26 113.81 1wry n ASN 63 Ca 0.02 0.32 0.01 0.00 -0.60 0.00 0.00 54.58 54.33 1wry n ASN 63 Cb 0.20 -0.41 -0.07 0.00 -0.53 0.00 0.00 39.78 38.98 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 -1.41 3.03 -4.76 1.20 7.64 0.26 -5.01 113.62 114.57 1wry n SER 64 Ca 0.05 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.52 1wry n SER 64 Cb 0.15 1.11 -0.01 0.00 -1.01 0.00 0.00 64.21 64.45 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 -2.44 4.18 0.00 1.43 0.52 0.13 -4.93 118.95 117.84 1wry s ARG 65 Ca -0.03 2.47 0.00 0.00 -0.52 0.00 0.00 55.73 57.65 1wry s ARG 65 Cb 0.04 -3.02 0.00 0.00 0.52 0.00 0.00 34.95 32.49 1wry s ARG 65 CO 0.35 -0.49 0.00 -0.35 0.02 0.00 0.00 175.30 174.83 1wry n PRO 66 N 1.29 0.76 -0.10 3.54 -0.04 -1.26 -4.96 135.00 134.23 1wry n PRO 66 Ca 0.04 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.30 1wry n PRO 66 Cb 0.39 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.79 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 1.65 -0.16 0.55 0.00 -1.26 -4.73 120.51 113.57 1wry n ALA 67 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1wry n ALA 67 Cb 0.00 0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.67 1wry n ALA 67 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1wry n THR 68 N -3.95 0.00 0.00 0.00 5.66 -1.26 -4.86 114.28 109.87 1wry n THR 68 Ca -0.37 1.42 0.00 0.00 -3.05 0.00 0.00 64.05 62.05 1wry n THR 68 Cb 0.74 -1.97 0.00 0.00 -1.55 0.00 0.00 70.33 67.54 1wry n THR 68 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1wry n GLY 69 N -0.99 1.65 1.60 1.09 0.00 -1.26 -5.16 105.19 102.11 1wry n GLY 69 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 0.00 -4.26 -2.46 1.61 4.01 -1.26 -4.79 117.16 110.02 1wry n TYR 70 Ca 0.00 2.30 -0.42 0.00 -0.16 0.00 0.00 57.90 59.62 1wry n TYR 70 Cb 0.00 -3.55 -0.03 0.00 -0.31 0.00 0.00 39.34 35.45 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 -5.27 4.43 0.35 -0.72 0.04 -1.26 -4.58 135.00 127.98 1wry s PRO 71 Ca 0.00 1.72 -0.19 0.00 0.04 0.00 0.00 61.00 62.57 1wry s PRO 71 Cb 0.00 -3.40 -0.10 0.00 0.04 0.00 0.00 34.50 31.04 1wry s PRO 71 CO 0.00 -0.27 0.83 -0.51 0.04 0.00 0.00 177.00 177.08 1wry s LEU 72 N 1.28 4.09 0.86 -3.56 1.43 -1.26 -5.03 118.68 116.48 1wry s LEU 72 Ca 0.58 1.49 -0.12 0.00 -1.03 0.00 0.00 54.13 55.05 1wry s LEU 72 Cb -0.28 -4.16 0.11 0.00 0.03 0.00 0.00 46.19 41.89 1wry s LEU 72 CO 0.28 -0.21 1.12 -2.16 0.23 0.00 0.00 176.35 175.60 1wry s PRO 73 N -2.82 1.58 0.82 1.29 0.04 -1.26 -4.61 135.00 130.04 1wry s PRO 73 Ca 0.55 0.45 -0.12 0.00 0.04 0.00 0.00 61.00 61.92 1wry s PRO 73 Cb -0.11 -1.88 0.08 0.00 0.04 0.00 0.00 34.50 32.63 1wry s PRO 73 CO 0.17 -1.93 1.11 -1.25 0.04 0.00 0.00 177.00 175.14 1wry s PRO 74 N -5.22 1.90 -0.18 0.56 0.04 -1.26 -4.86 135.00 125.98 1wry s PRO 74 Ca 0.62 0.57 -0.04 0.00 0.04 0.00 0.00 61.00 62.20 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 -1.74 0.06 -0.65 0.04 0.00 0.00 177.00 175.25 1wry s GLN 75 N -5.18 0.40 0.02 4.56 -1.52 -1.12 -3.68 119.66 113.13 1wry s GLN 75 Ca 0.61 -0.24 -0.28 0.00 -1.95 0.00 0.00 55.36 53.50 1wry s GLN 75 Cb -0.14 -1.91 -0.04 0.00 -0.22 0.00 0.00 33.01 30.70 1wry s GLN 75 CO 0.54 -0.63 0.90 0.42 -0.25 0.00 0.00 175.29 176.27 1wry s ILE 76 N 1.98 4.81 -0.03 1.08 1.09 0.08 -0.66 121.20 129.55 1wry s ILE 76 Ca 0.01 1.89 0.00 0.00 -1.10 0.00 0.00 60.65 61.45 1wry s ILE 76 Cb -0.16 -4.24 0.03 0.00 -1.06 0.00 0.00 42.46 37.02 1wry s ILE 76 CO -0.08 0.24 0.01 -0.36 -0.10 0.00 0.00 174.94 174.65 1wry s PHE 77 N 0.62 0.24 -0.76 3.97 0.08 0.18 -2.50 117.98 119.82 1wry s PHE 77 Ca 0.46 0.04 -0.23 0.00 0.12 0.00 0.00 56.93 57.33 1wry s PHE 77 Cb -0.21 -0.40 0.07 0.00 -0.57 0.00 0.00 43.02 41.91 1wry s PHE 77 CO 0.26 -0.14 1.12 1.21 -0.10 0.00 0.00 175.22 177.57 1wry s ASN 78 N 1.18 6.27 0.00 1.36 3.84 0.21 0.55 114.94 128.35 1wry s ASN 78 Ca -0.08 -1.06 0.00 0.00 0.21 0.00 0.00 52.86 51.94 1wry s ASN 78 Cb -0.13 -2.47 0.00 0.00 -0.55 0.00 0.00 41.25 38.10 1wry s ASN 78 CO -0.02 -1.50 0.00 -0.62 -2.79 0.00 0.00 177.10 172.17 1wry n GLU 79 N 8.09 0.00 0.00 0.43 1.02 0.13 -1.57 120.64 128.74 1wry n GLU 79 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1wry n GLU 79 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.89 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 1.28 0.00 -4.58 1.62 3.41 -1.26 -4.84 113.62 109.24 1wry n SER 80 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 1wry n SER 80 Cb 0.00 0.01 0.21 0.00 -0.26 0.00 0.00 64.21 64.17 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 -1.05 -0.22 -0.04 4.33 1.11 -0.61 -4.99 119.66 118.19 1wry s GLN 81 Ca 0.00 0.71 -0.03 0.00 0.01 0.00 0.00 55.36 56.06 1wry s GLN 81 Cb 0.00 -1.65 -0.04 0.00 -1.01 0.00 0.00 33.01 30.32 1wry s GLN 81 CO 0.00 -3.22 0.11 -0.47 0.01 0.00 0.00 175.29 171.72 1wry s TYR 82 N -2.70 3.42 -0.07 0.91 6.14 -1.26 -0.62 117.35 123.17 1wry s TYR 82 Ca 0.67 0.33 -0.03 0.00 0.64 0.00 0.00 57.07 58.67 1wry s TYR 82 Cb -0.22 -1.82 -0.03 0.00 0.42 0.00 0.00 41.96 40.31 1wry s TYR 82 CO 0.61 0.61 -0.08 0.54 0.64 0.00 0.00 175.55 177.87 1wry n ARG 83 N 1.44 0.14 -3.58 4.97 5.12 -1.04 -4.80 116.66 118.91 1wry n ARG 83 Ca -0.15 0.06 0.00 0.00 -1.93 0.00 0.00 57.85 55.83 1wry n ARG 83 Cb 0.53 -0.77 0.00 0.00 -1.16 0.00 0.00 32.46 31.06 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 2.62 -1.95 0.66 -0.13 0.00 -1.21 -5.05 105.19 100.14 1wry n GLY 84 Ca -0.13 -1.16 -0.05 0.00 0.00 0.00 0.00 46.02 44.68 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 1.74 1.51 -0.32 1.61 5.75 -1.26 -0.74 116.55 124.85 1wry n ASP 85 Ca 0.00 -1.35 0.15 0.00 -0.01 0.00 0.00 54.79 53.58 1wry n ASP 85 Cb 0.00 0.01 0.38 0.00 -1.03 0.00 0.00 41.12 40.48 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 0.91 -0.13 2.11 5.03 -1.92 0.68 116.97 124.29 1wry h TYR 86 Ca -0.06 0.03 0.01 0.00 2.58 0.00 0.00 58.73 61.28 1wry h TYR 86 Cb 0.22 -0.28 -0.01 0.00 1.55 0.00 0.00 36.73 38.22 1wry h TYR 86 CO 0.00 0.22 0.06 -0.44 -1.32 0.00 0.00 178.16 176.68 1wry h ASP 87 N 0.67 0.10 -0.32 -2.11 5.19 -1.94 0.25 116.42 118.25 1wry h ASP 87 Ca 0.54 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.84 1wry h ASP 87 Cb 0.97 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.45 1wry h ASP 87 CO -0.31 0.08 -0.23 0.00 -3.12 0.00 0.00 179.24 175.65 1wry h ALA 88 N 1.06 0.83 0.08 3.45 0.00 -1.29 -2.07 119.26 121.33 1wry h ALA 88 Ca 0.05 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.59 1wry h ALA 88 Cb 0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1wry h ALA 88 CO -0.03 0.64 -0.11 0.35 0.00 0.00 0.00 179.25 180.10 1wry h PHE 89 N 0.71 -0.27 -0.28 0.00 3.57 0.84 0.34 116.94 121.84 1wry h PHE 89 Ca 0.09 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.61 1wry h PHE 89 Cb 0.76 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.59 1wry h PHE 89 CO 0.04 -0.16 0.16 0.35 -2.23 0.00 0.00 178.31 176.47 1wry h PHE 90 N -0.23 0.31 -0.17 0.41 3.57 -0.46 -0.61 116.94 119.77 1wry h PHE 90 Ca 0.01 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1wry h PHE 90 Cb 0.23 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 1wry h PHE 90 CO -0.13 0.18 0.09 1.49 -2.23 0.00 0.00 178.31 177.71 1wry h GLU 91 N 0.34 0.18 0.00 1.11 4.81 -1.13 0.80 114.58 120.69 1wry h GLU 91 Ca 0.11 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1wry h GLU 91 Cb -0.00 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.33 1wry h GLU 91 CO -0.05 0.12 -0.00 0.00 -0.73 0.00 0.00 179.01 178.35 1wry h ALA 92 N 1.08 1.06 0.01 2.92 0.00 -0.03 -1.50 119.26 122.80 1wry h ALA 92 Ca 0.07 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1wry h ALA 92 Cb 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1wry h ALA 92 CO -0.04 0.00 -0.00 -0.09 0.00 0.00 0.00 179.25 179.12 1wry h ARG 93 N 0.00 -0.01 -0.91 0.00 2.43 0.63 1.15 114.38 117.66 1wry h ARG 93 Ca -0.00 0.00 0.17 0.00 -0.81 0.00 0.00 59.98 59.34 1wry h ARG 93 Cb 0.05 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.53 1wry h ARG 93 CO 0.00 0.53 0.59 0.93 -1.51 0.00 0.00 179.97 180.50 1wry h GLU 94 N -0.99 0.59 -0.22 0.20 4.39 -0.43 1.47 114.58 119.60 1wry h GLU 94 Ca -0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1wry h GLU 94 Cb 0.54 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1wry h GLU 94 CO 0.00 0.39 0.00 0.09 -1.16 0.00 0.00 179.01 178.33 1wry n ASN 95 N -4.58 1.17 -4.19 1.42 3.02 -0.61 -4.89 115.26 106.60 1wry n ASN 95 Ca 0.19 -1.99 -0.31 0.00 -0.03 0.00 0.00 54.58 52.44 1wry n ASN 95 Cb 0.56 -0.14 -0.07 0.00 -0.61 0.00 0.00 39.78 39.52 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 0.13 0.07 -0.45 6.41 3.02 0.50 -4.80 115.26 120.15 1wry n ASN 96 Ca 0.08 -1.21 0.01 0.00 -0.03 0.00 0.00 54.58 53.43 1wry n ASN 96 Cb 0.19 -2.02 0.02 0.00 -0.61 0.00 0.00 39.78 37.36 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 -4.57 2.03 -0.04 5.41 0.00 0.34 -3.86 120.51 119.81 1wry n ALA 97 Ca -0.30 -1.18 -0.11 0.00 0.00 0.00 0.00 53.44 51.85 1wry n ALA 97 Cb 0.68 -0.49 -0.05 0.00 0.00 0.00 0.00 19.45 19.60 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 6.21 0.18 -0.88 0.00 2.07 -0.28 0.19 116.25 123.74 1wry h VAL 98 Ca 0.00 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.75 1wry h VAL 98 Cb 1.35 0.18 -0.14 0.00 -1.52 0.00 0.00 31.29 31.17 1wry h VAL 98 CO 0.00 0.00 0.29 1.88 0.02 0.00 0.00 177.57 179.76 1wry h TYR 99 N -0.40 0.46 -0.48 1.57 0.05 -1.89 0.94 116.97 117.21 1wry h TYR 99 Ca 0.11 0.05 -0.09 0.00 0.05 0.00 0.00 58.73 58.84 1wry h TYR 99 Cb 0.59 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 38.25 1wry h TYR 99 CO -0.50 -0.16 -0.07 0.00 -1.05 0.00 0.00 178.16 176.38 1wry h ALA 100 N 1.76 0.98 0.00 3.88 0.00 -1.11 1.04 119.26 125.81 1wry h ALA 100 Ca 0.56 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1wry h ALA 100 Cb 1.12 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1wry h ALA 100 CO -0.61 0.61 0.00 0.34 0.00 0.00 0.00 179.25 179.59 1wry n PHE 101 N -4.17 0.15 0.22 0.00 7.35 0.29 -1.84 117.46 119.46 1wry n PHE 101 Ca 0.02 0.05 0.04 0.00 -0.76 0.00 0.00 57.45 56.81 1wry n PHE 101 Cb 0.35 -0.59 0.06 0.00 0.35 0.00 0.00 39.48 39.65 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 -1.63 2.02 -1.17 -2.13 4.77 0.64 -4.77 117.00 114.72 1wry n LEU 102 Ca 0.04 -1.29 -0.14 0.00 -0.03 0.00 0.00 56.01 54.59 1wry n LEU 102 Cb 0.22 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.21 1wry n LEU 102 CO 0.18 0.44 -0.14 0.61 -1.33 0.00 0.00 177.39 177.14 1wry n GLY 103 N 0.44 1.26 2.51 -0.72 0.00 0.14 -4.92 105.19 103.90 1wry n GLY 103 Ca 0.06 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.69 0.00 -4.64 0.99 4.77 0.34 -4.98 117.00 111.79 1wry n LEU 104 Ca -0.15 -1.46 -0.30 0.00 -0.03 0.00 0.00 56.01 54.07 1wry n LEU 104 Cb 0.49 -0.36 -0.09 0.00 -2.33 0.00 0.00 43.42 41.14 1wry n LEU 104 CO 0.22 -0.74 -0.38 -0.89 -1.33 0.00 0.00 177.39 174.27 1wry s THR 105 N -1.66 3.71 0.04 -5.08 2.01 -1.26 -4.27 115.64 109.13 1wry s THR 105 Ca 0.41 -1.13 -0.01 0.00 0.31 0.00 0.00 61.69 61.27 1wry s THR 105 Cb -0.03 -2.76 -0.04 0.00 0.01 0.00 0.00 72.50 69.69 1wry s THR 105 CO 0.27 0.11 0.21 0.00 -0.69 0.00 0.00 174.62 174.52 1wry s ALA 106 N -1.28 3.98 0.42 7.40 0.00 -1.26 -4.95 121.76 126.08 1wry s ALA 106 Ca 0.24 -0.80 -0.23 0.00 0.00 0.00 0.00 51.96 51.17 1wry s ALA 106 Cb -0.11 -1.87 -0.09 0.00 0.00 0.00 0.00 23.12 21.05 1wry s ALA 106 CO 0.16 0.79 1.05 -1.25 0.00 0.00 0.00 175.76 176.51 1wry s PRO 107 N -2.30 4.06 -1.21 0.00 0.04 -1.26 -4.93 135.00 129.40 1wry s PRO 107 Ca 0.32 1.48 -0.20 0.00 0.04 0.00 0.00 61.00 62.64 1wry s PRO 107 Cb -0.13 -2.42 -0.02 0.00 0.04 0.00 0.00 34.50 31.97 1wry s PRO 107 CO 0.24 -0.23 1.89 -0.35 0.04 0.00 0.00 177.00 178.59 1wry n PRO 108 N -0.32 2.37 0.00 0.56 -0.04 -1.26 -3.28 135.00 133.03 1wry n PRO 108 Ca 0.06 -2.74 0.00 0.00 -0.04 0.00 0.00 63.50 60.79 1wry n PRO 108 Cb 0.50 -3.50 0.00 0.00 -0.04 0.00 0.00 33.50 30.47 1wry n PRO 108 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wry n GLY 109 N 5.30 0.05 3.41 0.55 0.00 -1.26 -5.14 105.19 108.10 1wry n GLY 109 Ca 0.48 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 46.34 1wry n GLY 109 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wry s SER 110 N 0.00 0.57 0.17 1.61 0.01 -1.20 -5.01 113.70 109.85 1wry s SER 110 Ca 0.00 -1.36 -0.15 0.00 1.31 0.00 0.00 55.95 55.75 1wry s SER 110 Cb 0.00 0.55 0.12 0.00 0.21 0.00 0.00 66.02 66.90 1wry s SER 110 CO 0.00 -1.10 1.74 0.50 0.41 0.00 0.00 173.24 174.79 1wry h LYS 111 N 2.29 0.29 -0.45 12.44 1.63 -1.93 1.47 116.57 132.31 1wry h LYS 111 Ca -0.29 -0.02 0.13 0.00 -0.85 0.00 0.00 60.65 59.62 1wry h LYS 111 Cb 1.24 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.79 1wry h LYS 111 CO 0.41 0.19 0.35 0.93 -3.45 0.00 0.00 179.45 177.88 1wry h GLU 112 N 0.30 0.00 0.12 1.90 3.07 -1.92 0.59 114.58 118.64 1wry h GLU 112 Ca 0.20 0.00 -0.34 0.00 -0.50 0.00 0.00 59.36 58.72 1wry h GLU 112 Cb 0.20 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 1wry h GLU 112 CO -0.22 0.00 -1.81 0.00 -1.40 0.00 0.00 179.01 175.58 1wry h ALA 113 N 1.73 0.35 0.44 3.43 0.00 -0.95 -3.40 119.26 120.86 1wry h ALA 113 Ca 0.21 -1.30 -0.02 0.00 0.00 0.00 0.00 54.91 53.80 1wry h ALA 113 Cb 0.90 0.65 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1wry h ALA 113 CO -0.00 1.15 -0.21 0.93 0.00 0.00 0.00 179.25 181.11 1wry h GLU 114 N -0.09 -0.57 -4.77 0.00 5.08 0.33 -3.48 114.58 111.07 1wry h GLU 114 Ca -0.39 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1wry h GLU 114 Cb 1.93 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 31.28 1wry h GLU 114 CO 0.06 -0.38 -0.98 0.28 -1.00 0.00 0.00 179.01 176.99 1wry n VAL 115 N -3.70-11.47 -2.96 3.13 0.31 0.19 -4.85 118.33 98.98 1wry n VAL 115 Ca -0.07 2.65 -0.43 0.00 -0.01 0.00 0.00 64.34 66.47 1wry n VAL 115 Cb 0.23 -5.58 -0.05 0.00 -0.91 0.00 0.00 33.84 27.53 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 -0.53 6.34 -0.87 4.52 0.15 -1.26 -4.93 113.70 117.11 1wry s SER 116 Ca -0.06 -0.39 -0.24 0.00 0.70 0.00 0.00 55.95 55.95 1wry s SER 116 Cb 0.00 -2.38 -0.21 0.00 -1.71 0.00 0.00 66.02 61.73 1wry s SER 116 CO 0.17 -1.02 2.28 0.61 1.20 0.00 0.00 173.24 176.49 1wry n GLY 117 N 5.08 -0.43 3.81 9.45 0.00 -1.26 -4.84 105.19 116.99 1wry n GLY 117 Ca -0.00 0.86 -0.30 0.00 0.00 0.00 0.00 46.02 46.58 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 7.59 2.14 -0.38 1.61 0.04 -1.26 -5.05 135.00 139.70 1wry s PRO 118 Ca 1.18 0.65 0.02 0.00 0.04 0.00 0.00 61.00 62.90 1wry s PRO 118 Cb -1.05 -1.92 0.11 0.00 0.04 0.00 0.00 34.50 31.68 1wry s PRO 118 CO 0.44 -1.59 0.13 -1.12 0.04 0.00 0.00 177.00 174.90 1wry s SER 119 N -3.90 4.28 0.05 6.66 0.01 -1.26 -5.08 113.70 114.46 1wry s SER 119 Ca 0.61 -2.21 -0.28 0.00 1.31 0.00 0.00 55.95 55.37 1wry s SER 119 Cb -0.14 -1.30 0.09 0.00 0.21 0.00 0.00 66.02 64.88 1wry s SER 119 CO 0.54 -0.35 0.97 -0.94 0.41 0.00 0.00 173.24 173.87 1wry s SER 120 N 0.84 -0.25 0.00 2.44 1.04 -1.26 -5.34 113.70 111.17 1wry s SER 120 Ca 0.13 -0.18 0.20 0.00 0.48 0.00 0.00 55.95 56.58 1wry s SER 120 Cb -0.21 0.40 0.16 0.00 0.10 0.00 0.00 66.02 66.47 1wry s SER 120 CO -0.10 -0.69 1.14 0.61 0.98 0.00 0.00 173.24 175.17