#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 5.36 0.14 1.61 0.15 -1.26 -4.81 113.70 114.89 1wry s SER 2 Ca 0.00 -1.15 -0.25 0.00 0.70 0.00 0.00 55.95 55.25 1wry s SER 2 Cb 0.00 -2.57 0.07 0.00 -1.71 0.00 0.00 66.02 61.81 1wry s SER 2 CO 0.00 -2.61 0.99 -0.55 1.20 0.00 0.00 173.24 172.26 1wry s SER 3 N 7.04 -0.16 -0.66 5.45 0.15 -1.26 -5.08 113.70 119.17 1wry s SER 3 Ca 0.66 -0.39 0.05 0.00 0.70 0.00 0.00 55.95 56.97 1wry s SER 3 Cb -0.04 0.46 0.30 0.00 -1.71 0.00 0.00 66.02 65.04 1wry s SER 3 CO 0.03 -0.86 0.95 0.61 1.20 0.00 0.00 173.24 175.17 1wry n GLY 4 N -0.48 5.30 2.79 9.45 0.00 -1.26 -4.86 105.19 116.13 1wry n GLY 4 Ca -0.06 -2.77 -0.01 0.00 0.00 0.00 0.00 46.02 43.18 1wry n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wry s SER 5 N -2.83 -0.65 0.00 1.61 0.15 -1.26 -5.16 113.70 105.56 1wry s SER 5 Ca 0.44 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 56.54 1wry s SER 5 Cb 0.21 0.84 0.00 0.00 -1.71 0.00 0.00 66.02 65.35 1wry s SER 5 CO -0.07 -0.05 0.00 -0.24 1.20 0.00 0.00 173.24 174.08 1wry n SER 6 N 3.29 0.00 0.00 5.45 2.88 -1.26 -5.19 113.62 118.79 1wry n SER 6 Ca 0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 1wry n SER 6 Cb 0.62 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 1wry n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wry n GLY 7 N -0.01 0.98 3.19 0.46 0.00 -1.26 -5.10 105.19 103.45 1wry n GLY 7 Ca 0.00 -1.39 -0.16 0.00 0.00 0.00 0.00 46.02 44.47 1wry n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wry n MET 8 N -1.28 -0.90 -3.26 1.61 2.00 -1.26 -4.89 117.12 109.14 1wry n MET 8 Ca 0.00 0.98 -0.38 0.00 0.00 0.00 0.00 57.70 58.30 1wry n MET 8 Cb 0.00 -1.32 -0.06 0.00 0.00 0.00 0.00 33.22 31.84 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 -1.13 5.07 -0.50 2.03 1.01 -1.26 -4.96 120.40 120.67 1wry s VAL 9 Ca 0.15 1.10 -0.17 0.00 0.00 0.00 0.00 61.98 63.06 1wry s VAL 9 Cb -0.02 -3.87 0.08 0.00 0.00 0.00 0.00 36.38 32.57 1wry s VAL 9 CO 0.35 0.36 0.51 -0.63 0.00 0.00 0.00 175.10 175.69 1wry s ILE 10 N 0.26 5.08 -0.23 2.22 -1.09 -1.06 -1.34 121.20 125.03 1wry s ILE 10 Ca 0.29 -0.90 -0.10 0.00 -2.23 0.00 0.00 60.65 57.71 1wry s ILE 10 Cb -0.17 -4.23 -0.05 0.00 -1.58 0.00 0.00 42.46 36.43 1wry s ILE 10 CO 0.14 -0.73 0.14 -0.13 -1.23 0.00 0.00 174.94 173.13 1wry s ARG 11 N 2.06 4.04 -0.08 2.79 0.52 0.15 0.20 118.95 128.63 1wry s ARG 11 Ca 0.08 -0.29 0.00 0.00 -0.52 0.00 0.00 55.73 55.01 1wry s ARG 11 Cb -0.23 -3.48 -0.03 0.00 0.52 0.00 0.00 34.95 31.73 1wry s ARG 11 CO 0.08 0.09 -0.06 0.08 0.02 0.00 0.00 175.30 175.51 1wry s VAL 12 N 0.96 3.74 -0.62 3.52 1.01 0.47 -0.16 120.40 129.33 1wry s VAL 12 Ca 0.07 -0.46 -0.09 0.00 0.00 0.00 0.00 61.98 61.50 1wry s VAL 12 Cb -0.13 -2.55 0.16 0.00 0.00 0.00 0.00 36.38 33.86 1wry s VAL 12 CO 0.03 0.58 0.50 -0.31 0.00 0.00 0.00 175.10 175.90 1wry s TYR 13 N -0.61 3.51 0.45 5.22 1.51 0.03 0.73 117.35 128.19 1wry s TYR 13 Ca 0.09 -2.12 0.06 0.00 -1.01 0.00 0.00 57.07 54.09 1wry s TYR 13 Cb -0.12 -3.52 0.06 0.00 -0.11 0.00 0.00 41.96 38.27 1wry s TYR 13 CO 0.02 -0.95 0.49 0.44 -1.11 0.00 0.00 175.55 174.44 1wry n ILE 14 N 4.26 0.00 -3.40 2.71 -5.35 0.51 -2.89 119.36 115.20 1wry n ILE 14 Ca 0.02 -1.64 -0.26 0.00 -0.27 0.00 0.00 62.75 60.60 1wry n ILE 14 Cb 0.42 -0.37 -0.09 0.00 -1.74 0.00 0.00 39.64 37.85 1wry n ILE 14 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wry n ALA 15 N -2.28 3.04 -0.37 -1.28 0.00 -1.26 0.24 120.51 118.60 1wry n ALA 15 Ca -0.12 -3.79 0.00 0.00 0.00 0.00 0.00 53.44 49.53 1wry n ALA 15 Cb 0.49 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.09 1wry n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wry n SER 16 N 1.73 0.00 -0.17 0.00 2.88 -1.26 -0.75 113.62 116.06 1wry n SER 16 Ca 0.25 0.38 -0.06 0.00 -1.33 0.00 0.00 58.87 58.12 1wry n SER 16 Cb 0.46 -0.10 -0.05 0.00 -0.75 0.00 0.00 64.21 63.78 1wry n SER 16 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1wry h SER 17 N 0.00 -1.00 -0.74 -3.46 0.02 -1.96 -3.46 113.55 102.95 1wry h SER 17 Ca 0.00 0.15 0.07 0.00 -0.84 0.00 0.00 61.79 61.17 1wry h SER 17 Cb 0.00 0.43 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 1wry h SER 17 CO 0.00 -0.13 -0.09 -1.54 -1.14 0.00 0.00 176.83 173.93 1wry n SER 18 N -4.05 -2.59 -0.29 3.07 3.41 0.07 -4.76 113.62 108.49 1wry n SER 18 Ca 0.00 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 1wry n SER 18 Cb 0.13 -0.92 0.00 0.00 -0.26 0.00 0.00 64.21 63.16 1wry n SER 18 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wry n GLY 19 N -0.90 -0.50 3.11 5.00 0.00 -1.26 -5.09 105.19 105.55 1wry n GLY 19 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.43 -0.22 0.02 1.61 0.01 -1.26 -5.05 113.70 108.37 1wry s SER 20 Ca 0.00 0.42 -0.21 0.00 1.31 0.00 0.00 55.95 57.48 1wry s SER 20 Cb 0.00 0.44 -0.17 0.00 0.21 0.00 0.00 66.02 66.51 1wry s SER 20 CO 0.00 -0.09 1.27 0.74 0.41 0.00 0.00 173.24 175.57 1wry h THR 21 N 4.77 1.39 -1.00 1.44 2.02 -1.98 -2.91 112.91 116.64 1wry h THR 21 Ca -0.26 -1.50 0.20 0.00 0.77 0.00 0.00 66.41 65.62 1wry h THR 21 Cb 1.19 2.09 -0.19 0.00 -1.74 0.00 0.00 68.15 69.51 1wry h THR 21 CO 0.37 0.44 -0.23 0.00 0.37 0.00 0.00 175.52 176.46 1wry h ALA 22 N 0.52 0.69 0.69 6.16 0.00 -1.99 0.43 119.26 125.76 1wry h ALA 22 Ca 0.00 0.39 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 1wry h ALA 22 Cb 0.81 0.75 0.01 0.00 0.00 0.00 0.00 17.79 19.36 1wry h ALA 22 CO 0.05 -0.39 -0.33 0.82 0.00 0.00 0.00 179.25 179.40 1wry h ILE 23 N 0.00 0.27 -0.96 0.00 2.04 -1.91 0.41 117.51 117.36 1wry h ILE 23 Ca 0.49 -0.14 0.27 0.00 1.00 0.00 0.00 64.86 66.48 1wry h ILE 23 Cb 0.76 0.31 -0.17 0.00 -0.74 0.00 0.00 36.82 36.97 1wry h ILE 23 CO -1.02 0.02 0.10 0.11 0.00 0.00 0.00 178.15 177.36 1wry h LYS 24 N -1.03 0.04 0.32 2.37 1.57 -0.19 0.68 116.57 120.33 1wry h LYS 24 Ca -0.09 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1wry h LYS 24 Cb 0.73 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1wry h LYS 24 CO 0.15 0.03 -0.15 -0.22 -0.57 0.00 0.00 179.45 178.69 1wry h LYS 25 N 0.04 -0.41 -0.99 3.15 3.64 -0.03 0.97 116.57 122.93 1wry h LYS 25 Ca 0.61 0.03 0.12 0.00 -1.27 0.00 0.00 60.65 60.14 1wry h LYS 25 Cb 1.28 0.09 -0.14 0.00 -0.41 0.00 0.00 32.23 33.06 1wry h LYS 25 CO -0.86 -0.28 -0.48 1.63 -2.27 0.00 0.00 179.45 177.19 1wry n LYS 26 N -3.39 -0.33 -0.14 1.90 5.02 0.11 0.11 118.16 121.44 1wry n LYS 26 Ca -0.05 1.52 -0.03 0.00 -2.02 0.00 0.00 58.31 57.72 1wry n LYS 26 Cb 0.17 -2.24 0.04 0.00 -0.02 0.00 0.00 35.03 32.98 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 0.13 0.00 1.97 4.20 0.28 0.47 115.11 122.16 1wry h GLN 27 Ca 0.26 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.96 1wry h GLN 27 Cb 0.51 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1wry h GLN 27 CO -0.96 0.09 0.00 1.96 -0.67 0.00 0.00 178.83 179.25 1wry h GLN 28 N 0.14 0.00 0.06 1.46 4.20 0.31 0.20 115.11 121.48 1wry h GLN 28 Ca 0.22 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.69 1wry h GLN 28 Cb 0.31 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1wry h GLN 28 CO -0.35 0.00 -1.08 0.22 -0.67 0.00 0.00 178.83 176.95 1wry h ASP 29 N 0.00 0.29 0.65 1.46 1.82 0.54 0.33 116.42 121.51 1wry h ASP 29 Ca 0.00 -0.28 -0.27 0.00 -0.39 0.00 0.00 57.03 56.09 1wry h ASP 29 Cb 0.20 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.11 1wry h ASP 29 CO 0.00 1.18 -1.30 0.58 -1.61 0.00 0.00 179.24 178.09 1wry h VAL 30 N 0.07 1.41 0.07 2.25 2.07 0.37 -2.84 116.25 119.65 1wry h VAL 30 Ca -0.08 -3.05 -0.00 0.00 0.82 0.00 0.00 66.70 64.39 1wry h VAL 30 Cb 1.79 2.84 0.00 0.00 -1.52 0.00 0.00 31.29 34.40 1wry h VAL 30 CO 0.17 0.87 -0.03 -0.07 0.02 0.00 0.00 177.57 178.52 1wry h LEU 31 N 0.05 -0.08 -1.01 2.57 3.38 -0.71 -2.89 115.31 116.61 1wry h LEU 31 Ca -0.15 -0.40 0.21 0.00 0.09 0.00 0.00 57.88 57.63 1wry h LEU 31 Cb 1.94 0.02 -0.11 0.00 0.09 0.00 0.00 40.66 42.60 1wry h LEU 31 CO 0.17 0.58 0.61 1.23 0.09 0.00 0.00 178.44 181.11 1wry h GLY 32 N -0.96 1.81 0.89 0.83 0.00 -0.49 0.23 103.07 105.39 1wry h GLY 32 Ca -0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 1wry h GLY 32 CO 0.02 -0.11 -0.07 -2.75 0.00 0.00 0.00 176.54 173.63 1wry h PHE 33 N 0.71 -0.18 0.00 5.60 3.57 -1.58 0.64 116.94 125.70 1wry h PHE 33 Ca 0.60 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 62.08 1wry h PHE 33 Cb 1.00 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.79 1wry h PHE 33 CO -0.00 -0.02 -0.07 -0.07 -2.23 0.00 0.00 178.31 175.91 1wry h LEU 34 N -0.30 0.00 0.21 0.59 3.38 -0.95 0.44 115.31 118.68 1wry h LEU 34 Ca -0.02 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.66 1wry h LEU 34 Cb 0.24 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.02 1wry h LEU 34 CO 0.03 0.07 -1.25 -0.33 0.09 0.00 0.00 178.44 177.05 1wry h GLU 35 N 0.00 0.47 -0.03 1.13 5.08 0.12 0.91 114.58 122.27 1wry h GLU 35 Ca -0.00 -0.79 -0.13 0.00 -1.00 0.00 0.00 59.36 57.43 1wry h GLU 35 Cb 0.21 0.29 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1wry h GLU 35 CO 0.01 1.38 -0.60 0.00 -1.00 0.00 0.00 179.01 178.80 1wry h ALA 36 N 0.14 0.95 -0.32 3.43 0.00 0.10 -2.16 119.26 121.40 1wry h ALA 36 Ca -0.22 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1wry h ALA 36 Cb 1.99 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1wry h ALA 36 CO 0.24 0.74 0.00 0.09 0.00 0.00 0.00 179.25 180.32 1wry n ASN 37 N -3.85 1.76 -4.19 0.00 3.02 0.15 -4.91 115.26 107.25 1wry n ASN 37 Ca -0.02 -1.97 -0.31 0.00 -0.03 0.00 0.00 54.58 52.25 1wry n ASN 37 Cb 0.60 -0.21 -0.06 0.00 -0.61 0.00 0.00 39.78 39.50 1wry n ASN 37 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1wry n LYS 38 N 0.45 -1.43 -3.56 3.52 4.76 -0.81 -4.90 118.16 116.18 1wry n LYS 38 Ca 0.12 0.17 -0.32 0.00 -2.87 0.00 0.00 58.31 55.41 1wry n LYS 38 Cb 0.28 -3.71 -0.05 0.00 -1.84 0.00 0.00 35.03 29.72 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 -4.17 5.07 -1.14 -0.18 1.01 0.31 -5.02 121.20 117.07 1wry s ILE 39 Ca 0.06 0.25 -0.16 0.00 0.00 0.00 0.00 60.65 60.80 1wry s ILE 39 Cb -0.03 -3.62 0.14 0.00 0.01 0.00 0.00 42.46 38.95 1wry s ILE 39 CO 0.97 0.02 1.40 -0.83 0.00 0.00 0.00 174.94 176.50 1wry s GLY 40 N -2.34 2.14 0.49 6.18 0.00 -1.26 -4.74 107.32 107.78 1wry s GLY 40 Ca 0.43 -3.11 0.04 0.00 0.00 0.00 0.00 44.72 42.08 1wry s GLY 40 CO 0.23 2.16 0.11 -0.11 0.00 0.00 0.00 173.10 175.49 1wry s PHE 41 N 2.36 2.02 0.00 1.90 -0.71 -1.26 -2.57 117.98 119.72 1wry s PHE 41 Ca 0.42 -0.84 0.03 0.00 -1.04 0.00 0.00 56.93 55.50 1wry s PHE 41 Cb -0.02 -1.75 -0.01 0.00 -1.21 0.00 0.00 43.02 40.03 1wry s PHE 41 CO -0.02 0.11 -0.10 -1.21 -1.34 0.00 0.00 175.22 172.66 1wry s GLU 42 N -3.94 0.78 -0.30 1.99 2.02 0.53 -4.85 118.70 114.93 1wry s GLU 42 Ca 0.21 -0.44 -0.16 0.00 0.02 0.00 0.00 54.97 54.59 1wry s GLU 42 Cb 0.02 -0.74 -0.02 0.00 0.10 0.00 0.00 34.13 33.49 1wry s GLU 42 CO 0.12 0.20 0.42 -1.21 0.02 0.00 0.00 175.26 174.81 1wry s GLU 43 N -0.49 3.84 -0.21 1.61 2.02 -1.26 -0.39 118.70 123.82 1wry s GLU 43 Ca 0.02 -0.06 0.01 0.00 0.02 0.00 0.00 54.97 54.96 1wry s GLU 43 Cb -0.05 -3.72 0.03 0.00 0.10 0.00 0.00 34.13 30.48 1wry s GLU 43 CO -0.00 -0.43 -0.16 0.15 0.02 0.00 0.00 175.26 174.85 1wry s LYS 44 N 2.17 2.87 0.04 1.61 -0.14 0.22 -4.95 119.74 121.57 1wry s LYS 44 Ca 0.16 -0.93 -0.21 0.00 -1.36 0.00 0.00 55.97 53.63 1wry s LYS 44 Cb -0.16 -2.71 -0.06 0.00 -1.68 0.00 0.00 37.83 33.22 1wry s LYS 44 CO 0.11 -0.30 0.64 0.34 -0.76 0.00 0.00 175.35 175.38 1wry s ASP 45 N 1.27 7.08 -0.07 2.83 2.15 -1.25 0.19 116.67 128.87 1wry s ASP 45 Ca 0.02 1.28 0.12 0.00 0.43 0.00 0.00 52.55 54.40 1wry s ASP 45 Cb -0.15 -2.39 -0.18 0.00 -0.30 0.00 0.00 42.92 39.89 1wry s ASP 45 CO -0.10 0.14 0.18 2.30 -0.17 0.00 0.00 175.17 177.52 1wry n ILE 46 N 2.39 0.39 0.26 4.11 -5.35 0.65 -3.86 119.36 117.95 1wry n ILE 46 Ca -0.07 -0.41 -0.17 0.00 -0.27 0.00 0.00 62.75 61.84 1wry n ILE 46 Cb 0.51 -0.20 -0.08 0.00 -1.74 0.00 0.00 39.64 38.12 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 0.95 -0.91 -1.28 -1.28 0.00 -1.86 -3.36 119.26 111.50 1wry h ALA 47 Ca -0.16 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1wry h ALA 47 Cb 1.14 0.59 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1wry h ALA 47 CO 0.01 -1.05 0.00 0.00 0.00 0.00 0.00 179.25 178.21 1wry n ALA 48 N -2.72 -0.03 -1.68 0.00 0.00 -1.26 -4.78 120.51 110.05 1wry n ALA 48 Ca -0.11 0.00 -0.47 0.00 0.00 0.00 0.00 53.44 52.86 1wry n ALA 48 Cb 0.41 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.81 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 -1.36 3.39 -0.08 0.00 5.15 -1.25 -4.88 115.26 116.23 1wry n ASN 49 Ca 0.00 1.00 -0.11 0.00 -0.60 0.00 0.00 54.58 54.87 1wry n ASN 49 Cb 0.00 -1.40 -0.06 0.00 -0.53 0.00 0.00 39.78 37.79 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 8.26 0.00 -0.99 1.20 4.81 -1.87 -3.33 114.58 122.66 1wry h GLU 50 Ca -0.47 0.00 0.17 0.00 -0.13 0.00 0.00 59.36 58.93 1wry h GLU 50 Cb 1.26 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 30.47 1wry h GLU 50 CO 0.93 0.49 -0.33 -0.85 -0.73 0.00 0.00 179.01 178.52 1wry n GLU 51 N -4.58 -0.18 -0.10 1.92 0.28 -1.26 0.51 120.64 117.23 1wry n GLU 51 Ca -0.15 1.53 -0.09 0.00 -0.16 0.00 0.00 57.16 58.30 1wry n GLU 51 Cb 0.39 -2.28 -0.03 0.00 1.43 0.00 0.00 31.44 30.95 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 -1.21 0.57 -1.84 4.21 -1.88 0.90 115.58 116.33 1wry h ASN 52 Ca 0.40 0.19 -0.03 0.00 1.21 0.00 0.00 56.30 58.07 1wry h ASN 52 Cb 0.64 0.54 0.01 0.00 -1.12 0.00 0.00 38.32 38.39 1wry h ASN 52 CO -1.00 -0.35 -0.27 -0.09 -1.29 0.00 0.00 177.43 174.43 1wry h ARG 53 N -0.31 -0.73 -0.43 0.81 2.43 -0.05 0.62 114.38 116.72 1wry h ARG 53 Ca 0.15 0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.41 1wry h ARG 53 Cb 0.56 0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 30.22 1wry h ARG 53 CO -0.52 -0.49 -0.32 -0.22 -1.51 0.00 0.00 179.97 176.91 1wry h LYS 54 N -0.78 -0.07 -0.03 0.20 3.64 0.33 0.69 116.57 120.55 1wry h LYS 54 Ca -0.08 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1wry h LYS 54 Cb 0.58 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.37 1wry h LYS 54 CO 0.13 -0.05 -0.45 2.35 -2.27 0.00 0.00 179.45 179.16 1wry h TRP 55 N -0.08 -1.32 -0.76 1.91 7.01 0.81 -1.66 115.95 121.86 1wry h TRP 55 Ca 0.07 0.04 0.07 0.00 2.11 0.00 0.00 58.89 61.18 1wry h TRP 55 Cb 0.26 0.58 -0.09 0.00 -2.10 0.00 0.00 29.16 27.81 1wry h TRP 55 CO -0.88 -0.47 -0.45 -0.12 -2.79 0.00 0.00 178.44 173.73 1wry n MET 56 N -4.95 -0.33 -0.29 2.65 1.56 0.22 0.30 117.12 116.28 1wry n MET 56 Ca -0.06 1.29 -0.01 0.00 -0.27 0.00 0.00 57.70 58.66 1wry n MET 56 Cb 0.33 -1.91 0.06 0.00 2.15 0.00 0.00 33.22 33.85 1wry n MET 56 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1wry h ARG 57 N 0.00 -0.05 -0.98 2.12 3.08 0.94 1.13 114.38 120.62 1wry h ARG 57 Ca 0.12 0.00 0.17 0.00 0.07 0.00 0.00 59.98 60.35 1wry h ARG 57 Cb 0.31 0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.28 1wry h ARG 57 CO -0.71 -0.03 0.61 0.93 -1.07 0.00 0.00 179.97 179.70 1wry h GLU 58 N -0.05 0.72 0.26 0.04 4.39 0.75 -1.84 114.58 118.85 1wry h GLU 58 Ca 0.33 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.98 1wry h GLU 58 Cb 0.59 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1wry h GLU 58 CO -0.83 0.48 -0.12 -0.91 -1.16 0.00 0.00 179.01 176.46 1wry h ASN 59 N 0.74 -0.29 -0.91 1.42 2.35 0.24 -3.44 115.58 115.69 1wry h ASN 59 Ca 0.53 -0.24 -0.75 0.00 -0.55 0.00 0.00 56.30 55.29 1wry h ASN 59 Cb 0.85 0.08 0.03 0.00 0.05 0.00 0.00 38.32 39.32 1wry h ASN 59 CO -0.30 0.18 0.33 0.52 -1.65 0.00 0.00 177.43 176.50 1wry n VAL 60 N -5.03 0.00 -2.35 2.81 0.31 0.14 -4.86 118.33 109.35 1wry n VAL 60 Ca -0.08 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 63.91 1wry n VAL 60 Cb 0.26 -0.22 -0.02 0.00 -0.91 0.00 0.00 33.84 32.96 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 1.30 3.63 0.57 5.55 0.04 -1.26 -4.88 135.00 139.95 1wry s PRO 61 Ca 0.88 1.28 0.36 0.00 0.04 0.00 0.00 61.00 63.56 1wry s PRO 61 Cb -1.25 -2.07 1.63 0.00 0.04 0.00 0.00 34.50 32.84 1wry s PRO 61 CO 0.62 -0.56 2.07 1.49 0.04 0.00 0.00 177.00 180.67 1wry h GLU 62 N 1.11 0.00 0.00 4.56 4.81 -1.95 0.14 114.58 123.25 1wry h GLU 62 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 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 -0.09 0.09 -0.73 0.00 0.00 179.01 178.86 1wry n ASN 63 N -3.06 0.43 -0.02 1.04 4.13 -1.26 -3.33 115.26 113.19 1wry n ASN 63 Ca -0.00 0.44 0.03 0.00 1.68 0.00 0.00 54.58 56.73 1wry n ASN 63 Cb 0.24 -0.50 -0.10 0.00 -1.54 0.00 0.00 39.78 37.88 1wry n ASN 63 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1wry n SER 64 N -1.86 2.02 -4.53 6.41 7.64 -0.19 -5.02 113.62 118.09 1wry n SER 64 Ca 0.06 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.59 1wry n SER 64 Cb 0.38 1.37 0.09 0.00 -1.01 0.00 0.00 64.21 65.05 1wry n SER 64 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1wry n ARG 65 N -2.09 0.24 -1.51 1.43 1.74 0.31 -4.98 116.66 111.80 1wry n ARG 65 Ca -0.07 0.13 -0.30 0.00 -0.77 0.00 0.00 57.85 56.84 1wry n ARG 65 Cb 0.49 -2.03 0.21 0.00 -1.02 0.00 0.00 32.46 30.12 1wry n ARG 65 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1wry s PRO 66 N -3.25 -0.26 0.21 5.56 0.04 -1.26 -4.93 135.00 131.11 1wry s PRO 66 Ca 0.67 -0.23 -0.15 0.00 0.04 0.00 0.00 61.00 61.33 1wry s PRO 66 Cb -0.32 -1.72 0.23 0.00 0.04 0.00 0.00 34.50 32.73 1wry s PRO 66 CO 0.56 -3.05 1.61 0.00 0.04 0.00 0.00 177.00 176.17 1wry h ALA 67 N -2.10 0.33 -2.42 8.56 0.00 -1.95 -3.42 119.26 118.25 1wry h ALA 67 Ca -0.45 0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 1wry h ALA 67 Cb 1.26 0.58 -0.21 0.00 0.00 0.00 0.00 17.79 19.42 1wry h ALA 67 CO 0.37 -0.48 -0.12 -0.08 0.00 0.00 0.00 179.25 178.94 1wry s THR 68 N -6.18 0.02 0.00 0.00 -1.32 -1.26 -5.14 115.64 101.76 1wry s THR 68 Ca -0.14 -0.16 0.00 0.00 -1.21 0.00 0.00 61.69 60.18 1wry s THR 68 Cb 0.19 -0.73 0.00 0.00 -1.51 0.00 0.00 72.50 70.46 1wry s THR 68 CO 0.73 -0.09 0.00 0.61 -2.21 0.00 0.00 174.62 173.66 1wry n GLY 69 N 1.90 -1.84 3.88 6.08 0.00 -1.26 -4.97 105.19 108.98 1wry n GLY 69 Ca -0.17 -1.79 -0.30 0.00 0.00 0.00 0.00 46.02 43.76 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 0.00 3.42 -0.28 1.61 2.02 -1.26 -4.52 117.35 118.34 1wry s TYR 70 Ca 0.00 1.15 -0.29 0.00 -0.37 0.00 0.00 57.07 57.56 1wry s TYR 70 Cb 0.00 -2.94 -0.00 0.00 -0.40 0.00 0.00 41.96 38.62 1wry s TYR 70 CO 0.00 -1.01 1.34 -1.25 -1.57 0.00 0.00 175.55 173.06 1wry s PRO 71 N -5.28 3.91 0.53 -1.71 0.04 -1.26 -4.69 135.00 126.54 1wry s PRO 71 Ca 0.57 1.32 -0.18 0.00 0.04 0.00 0.00 61.00 62.75 1wry s PRO 71 Cb -0.11 -3.89 -0.07 0.00 0.04 0.00 0.00 34.50 30.47 1wry s PRO 71 CO 0.53 -1.13 1.04 -0.48 0.04 0.00 0.00 177.00 177.00 1wry s LEU 72 N 4.44 3.70 0.82 -3.56 0.05 -1.26 -4.99 118.68 117.87 1wry s LEU 72 Ca 0.58 1.85 -0.12 0.00 0.05 0.00 0.00 54.13 56.49 1wry s LEU 72 Cb -0.18 -4.54 0.08 0.00 -2.05 0.00 0.00 46.19 39.50 1wry s LEU 72 CO 0.24 -0.90 1.10 -2.16 -0.55 0.00 0.00 176.35 174.08 1wry s PRO 73 N -3.63 1.91 0.88 1.48 0.04 -1.26 -4.59 135.00 129.83 1wry s PRO 73 Ca 0.65 0.57 -0.12 0.00 0.04 0.00 0.00 61.00 62.14 1wry s PRO 73 Cb -0.15 -1.90 0.12 0.00 0.04 0.00 0.00 34.50 32.60 1wry s PRO 73 CO 0.27 -1.72 1.13 -1.25 0.04 0.00 0.00 177.00 175.46 1wry s PRO 74 N -5.18 1.42 -0.17 0.56 0.04 -1.26 -4.88 135.00 125.54 1wry s PRO 74 Ca 0.61 0.39 -0.05 0.00 0.04 0.00 0.00 61.00 62.00 1wry s PRO 74 Cb -0.14 -1.86 0.06 0.00 0.04 0.00 0.00 34.50 32.59 1wry s PRO 74 CO 0.54 -2.02 0.08 -0.65 0.04 0.00 0.00 177.00 174.99 1wry s GLN 75 N -5.24 0.14 0.01 4.56 -1.52 -1.14 -3.79 119.66 112.68 1wry s GLN 75 Ca 0.63 -0.11 -0.30 0.00 -1.95 0.00 0.00 55.36 53.63 1wry s GLN 75 Cb -0.15 -1.81 -0.04 0.00 -0.22 0.00 0.00 33.01 30.80 1wry s GLN 75 CO 0.54 -0.65 1.11 0.42 -0.25 0.00 0.00 175.29 176.46 1wry s ILE 76 N 2.10 4.41 -0.03 1.08 1.09 0.15 -0.79 121.20 129.21 1wry s ILE 76 Ca 0.02 1.73 0.00 0.00 -1.10 0.00 0.00 60.65 61.30 1wry s ILE 76 Cb -0.16 -4.11 0.03 0.00 -1.06 0.00 0.00 42.46 37.16 1wry s ILE 76 CO -0.09 0.10 0.01 -0.36 -0.10 0.00 0.00 174.94 174.50 1wry s PHE 77 N 1.32 0.26 -0.59 3.97 0.40 0.78 -2.36 117.98 121.76 1wry s PHE 77 Ca 0.55 0.02 -0.20 0.00 -0.60 0.00 0.00 56.93 56.71 1wry s PHE 77 Cb -0.25 -0.38 0.09 0.00 0.51 0.00 0.00 43.02 42.99 1wry s PHE 77 CO 0.27 -0.12 0.76 1.21 0.70 0.00 0.00 175.22 178.03 1wry s ASN 78 N 1.03 6.19 0.00 1.36 3.84 0.15 0.32 114.94 127.83 1wry s ASN 78 Ca -0.10 -1.22 0.00 0.00 0.21 0.00 0.00 52.86 51.75 1wry s ASN 78 Cb -0.13 -2.33 0.00 0.00 -0.55 0.00 0.00 41.25 38.24 1wry s ASN 78 CO -0.02 -1.16 0.00 -0.62 -2.79 0.00 0.00 177.10 172.51 1wry n GLU 79 N 6.65 0.00 0.00 0.43 1.02 -0.45 0.20 120.64 128.49 1wry n GLU 79 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 1wry n GLU 79 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.86 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 1.61 0.60 -4.99 1.62 3.41 -1.26 -4.84 113.62 109.76 1wry n SER 80 Ca 0.00 -0.93 -0.19 0.00 -0.26 0.00 0.00 58.87 57.49 1wry n SER 80 Cb 0.00 0.07 0.02 0.00 -0.26 0.00 0.00 64.21 64.03 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 -0.07 2.58 0.10 4.33 1.11 0.52 -5.03 119.66 123.20 1wry s GLN 81 Ca 0.00 -1.47 0.07 0.00 0.01 0.00 0.00 55.36 53.97 1wry s GLN 81 Cb 0.00 -2.61 -0.04 0.00 -1.01 0.00 0.00 33.01 29.35 1wry s GLN 81 CO 0.00 -0.46 -0.10 -0.47 0.01 0.00 0.00 175.29 174.27 1wry s TYR 82 N -2.50 2.75 0.04 0.91 6.14 -1.26 0.31 117.35 123.74 1wry s TYR 82 Ca 0.54 -0.15 0.00 0.00 0.64 0.00 0.00 57.07 58.10 1wry s TYR 82 Cb -0.07 -1.43 0.00 0.00 0.42 0.00 0.00 41.96 40.88 1wry s TYR 82 CO 0.33 0.43 0.00 0.54 0.64 0.00 0.00 175.55 177.49 1wry n ARG 83 N 0.69 0.00 -3.65 4.97 5.12 -0.99 -4.74 116.66 118.06 1wry n ARG 83 Ca -0.13 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.79 1wry n ARG 83 Cb 0.52 -0.47 0.00 0.00 -1.16 0.00 0.00 32.46 31.35 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 3.10 -1.22 2.76 -0.13 0.00 -1.20 -5.03 105.19 103.46 1wry n GLY 84 Ca 0.00 -1.06 -0.22 0.00 0.00 0.00 0.00 46.02 44.74 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 1.66 2.73 -0.42 1.61 5.75 -1.26 0.35 116.55 126.97 1wry n ASP 85 Ca 0.00 -2.55 0.35 0.00 -0.01 0.00 0.00 54.79 52.58 1wry n ASP 85 Cb 0.00 0.14 0.65 0.00 -1.03 0.00 0.00 41.12 40.88 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 0.95 0.39 0.82 2.11 5.03 -1.92 0.52 116.97 124.86 1wry h TYR 86 Ca -0.29 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.00 1wry h TYR 86 Cb 0.95 -0.10 0.01 0.00 1.55 0.00 0.00 36.73 39.13 1wry h TYR 86 CO 0.00 -0.07 -0.39 -0.44 -1.32 0.00 0.00 178.16 175.94 1wry h ASP 87 N 0.14 -0.93 -0.01 -2.11 5.19 -1.94 0.25 116.42 117.01 1wry h ASP 87 Ca 0.72 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 57.16 1wry h ASP 87 Cb 2.36 0.24 -0.00 0.00 0.18 0.00 0.00 39.33 42.11 1wry h ASP 87 CO -0.25 -0.58 0.01 0.00 -3.12 0.00 0.00 179.24 175.30 1wry h ALA 88 N -1.25 1.64 -0.23 3.45 0.00 -1.10 -0.10 119.26 121.68 1wry h ALA 88 Ca -0.11 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.59 1wry h ALA 88 Cb 0.85 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.65 1wry h ALA 88 CO 0.19 -0.02 -0.66 0.35 0.00 0.00 0.00 179.25 179.11 1wry h PHE 89 N 0.00 1.09 -0.22 0.00 3.57 0.30 -1.60 116.94 120.08 1wry h PHE 89 Ca 0.01 -0.43 -0.16 0.00 3.53 0.00 0.00 57.97 60.91 1wry h PHE 89 Cb 0.03 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.58 1wry h PHE 89 CO 0.00 1.27 -0.48 0.35 -2.23 0.00 0.00 178.31 177.21 1wry h PHE 90 N 0.61 0.90 -0.33 0.41 3.04 0.97 -2.28 116.94 120.27 1wry h PHE 90 Ca -0.02 -0.34 -0.02 0.00 3.98 0.00 0.00 57.97 61.58 1wry h PHE 90 Cb 1.28 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 39.61 1wry h PHE 90 CO 0.08 1.13 0.14 1.49 -2.02 0.00 0.00 178.31 179.12 1wry h GLU 91 N 0.42 0.49 0.00 1.11 4.81 -1.11 -1.06 114.58 119.23 1wry h GLU 91 Ca 0.00 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 1wry h GLU 91 Cb 1.09 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.39 1wry h GLU 91 CO 0.11 0.48 -0.08 0.00 -0.73 0.00 0.00 179.01 178.79 1wry h ALA 92 N 0.98 1.31 0.23 2.92 0.00 -1.30 -1.60 119.26 121.79 1wry h ALA 92 Ca 0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1wry h ALA 92 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1wry h ALA 92 CO -0.01 0.10 -0.11 -0.09 0.00 0.00 0.00 179.25 179.14 1wry h ARG 93 N 0.00 -0.30 -0.79 0.00 9.65 -0.68 0.81 114.38 123.07 1wry h ARG 93 Ca -0.00 0.02 0.12 0.00 -1.10 0.00 0.00 59.98 59.02 1wry h ARG 93 Cb 0.24 0.07 -0.06 0.00 -1.39 0.00 0.00 29.97 28.83 1wry h ARG 93 CO 0.01 0.06 0.52 0.93 2.80 0.00 0.00 179.97 184.28 1wry h GLU 94 N -0.93 0.62 -0.01 0.20 4.39 -0.95 1.04 114.58 118.93 1wry h GLU 94 Ca -0.03 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1wry h GLU 94 Cb 0.49 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1wry h GLU 94 CO 0.05 0.41 0.00 0.09 -1.16 0.00 0.00 179.01 178.40 1wry n ASN 95 N -4.51 0.17 -3.98 1.42 3.02 -0.63 -4.87 115.26 105.88 1wry n ASN 95 Ca 0.14 -1.31 -0.32 0.00 -0.03 0.00 0.00 54.58 53.06 1wry n ASN 95 Cb 0.40 -0.01 -0.01 0.00 -0.61 0.00 0.00 39.78 39.55 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 -0.75 -3.91 -1.46 6.41 2.85 0.36 -4.82 115.26 113.94 1wry n ASN 96 Ca 0.18 -0.83 0.01 0.00 -0.11 0.00 0.00 54.58 53.82 1wry n ASN 96 Cb 0.11 -3.18 0.08 0.00 1.24 0.00 0.00 39.78 38.04 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 -4.34 3.09 0.16 5.20 0.00 0.27 -4.32 120.51 120.57 1wry n ALA 97 Ca 0.05 -2.87 -0.14 0.00 0.00 0.00 0.00 53.44 50.49 1wry n ALA 97 Cb 0.51 -0.59 -0.08 0.00 0.00 0.00 0.00 19.45 19.29 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 4.37 0.75 -0.91 0.00 2.07 -1.42 -0.92 116.25 120.20 1wry h VAL 98 Ca -0.08 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.67 1wry h VAL 98 Cb 1.48 0.75 -0.12 0.00 -1.52 0.00 0.00 31.29 31.88 1wry h VAL 98 CO 0.15 0.00 0.42 1.88 0.02 0.00 0.00 177.57 180.04 1wry h TYR 99 N -0.33 0.69 -0.46 1.57 0.05 -1.88 0.69 116.97 117.30 1wry h TYR 99 Ca -0.03 0.04 -0.10 0.00 0.05 0.00 0.00 58.73 58.69 1wry h TYR 99 Cb 0.26 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.81 1wry h TYR 99 CO -0.07 -0.04 -0.10 0.00 -1.05 0.00 0.00 178.16 176.90 1wry h ALA 100 N 1.71 0.94 0.00 3.88 0.00 -1.63 0.87 119.26 125.04 1wry h ALA 100 Ca 0.57 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1wry h ALA 100 Cb 1.09 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1wry h ALA 100 CO -0.52 0.62 0.00 0.34 0.00 0.00 0.00 179.25 179.68 1wry n PHE 101 N -4.16 0.34 0.36 0.00 7.35 0.21 -1.74 117.46 119.83 1wry n PHE 101 Ca 0.01 0.13 0.06 0.00 -0.76 0.00 0.00 57.45 56.89 1wry n PHE 101 Cb 0.37 -0.71 0.06 0.00 0.35 0.00 0.00 39.48 39.56 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 -1.81 2.10 -1.09 -2.13 4.77 0.34 -4.78 117.00 114.40 1wry n LEU 102 Ca 0.04 -1.16 -0.14 0.00 -0.03 0.00 0.00 56.01 54.72 1wry n LEU 102 Cb 0.23 -0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.23 1wry n LEU 102 CO 0.18 0.43 -0.13 0.61 -1.33 0.00 0.00 177.39 177.15 1wry n GLY 103 N 0.61 1.26 1.66 -0.72 0.00 0.00 -4.94 105.19 103.06 1wry n GLY 103 Ca 0.07 -0.38 -0.10 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 -1.58 0.00 -4.62 0.99 4.77 0.28 -4.98 117.00 111.86 1wry n LEU 104 Ca -0.14 -0.92 -0.30 0.00 -0.03 0.00 0.00 56.01 54.63 1wry n LEU 104 Cb 0.46 -0.27 -0.09 0.00 -2.33 0.00 0.00 43.42 41.19 1wry n LEU 104 CO 0.20 -0.70 -0.39 -0.89 -1.33 0.00 0.00 177.39 174.29 1wry s THR 105 N -1.12 3.60 0.03 -5.08 2.01 -1.26 -4.37 115.64 109.45 1wry s THR 105 Ca 0.28 -1.17 0.01 0.00 0.31 0.00 0.00 61.69 61.12 1wry s THR 105 Cb -0.02 -2.70 -0.04 0.00 0.01 0.00 0.00 72.50 69.76 1wry s THR 105 CO 0.19 0.11 0.09 0.00 -0.69 0.00 0.00 174.62 174.32 1wry s ALA 106 N -1.25 3.62 0.41 7.40 0.00 -1.12 -4.95 121.76 125.86 1wry s ALA 106 Ca 0.23 -0.92 -0.23 0.00 0.00 0.00 0.00 51.96 51.03 1wry s ALA 106 Cb -0.11 -1.55 -0.09 0.00 0.00 0.00 0.00 23.12 21.37 1wry s ALA 106 CO 0.15 0.73 1.05 -1.25 0.00 0.00 0.00 175.76 176.44 1wry s PRO 107 N -2.05 4.10 -0.35 0.00 0.04 -1.26 -4.12 135.00 131.36 1wry s PRO 107 Ca 0.26 1.50 -0.29 0.00 0.04 0.00 0.00 61.00 62.52 1wry s PRO 107 Cb -0.12 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.94 1wry s PRO 107 CO 0.18 -0.19 1.37 -1.25 0.04 0.00 0.00 177.00 177.15 1wry s PRO 108 N -2.60 3.74 0.00 0.56 0.04 -1.26 -2.75 135.00 132.72 1wry s PRO 108 Ca 0.59 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1wry s PRO 108 Cb -0.21 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.36 1wry s PRO 108 CO 0.27 -1.35 0.00 0.41 0.04 0.00 0.00 177.00 176.36 1wry n GLY 109 N 4.72 0.93 3.55 0.56 0.00 -1.26 -5.08 105.19 108.60 1wry n GLY 109 Ca 0.16 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.80 1.63 0.34 1.61 0.01 -1.11 -4.55 113.70 110.83 1wry s SER 110 Ca 0.00 1.76 0.03 0.00 1.31 0.00 0.00 55.95 59.05 1wry s SER 110 Cb 0.00 -2.41 0.63 0.00 0.21 0.00 0.00 66.02 64.45 1wry s SER 110 CO 0.00 -3.84 1.96 0.50 0.41 0.00 0.00 173.24 172.27 1wry h LYS 111 N -2.37 0.87 -0.95 12.44 3.64 -1.96 0.33 116.57 128.57 1wry h LYS 111 Ca -0.55 -0.05 0.10 0.00 -1.27 0.00 0.00 60.65 58.87 1wry h LYS 111 Cb 1.31 -0.20 -0.07 0.00 -0.41 0.00 0.00 32.23 32.86 1wry h LYS 111 CO 0.47 0.57 0.61 0.93 -2.27 0.00 0.00 179.45 179.76 1wry h GLU 112 N 0.89 0.95 0.21 1.90 4.39 -1.88 0.70 114.58 121.74 1wry h GLU 112 Ca 0.31 -0.06 -0.29 0.00 0.34 0.00 0.00 59.36 59.66 1wry h GLU 112 Cb 0.11 -0.21 0.03 0.00 -0.10 0.00 0.00 28.75 28.58 1wry h GLU 112 CO -0.10 0.63 -1.32 0.00 -1.16 0.00 0.00 179.01 177.06 1wry h ALA 113 N 1.53 -0.09 0.46 3.43 0.00 -1.27 -3.37 119.26 119.95 1wry h ALA 113 Ca 0.44 -0.86 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1wry h ALA 113 Cb 0.39 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1wry h ALA 113 CO -0.20 0.65 -0.25 0.93 0.00 0.00 0.00 179.25 180.37 1wry h GLU 114 N -0.04 -0.64 -5.26 0.00 4.39 0.39 -3.40 114.58 110.03 1wry h GLU 114 Ca -0.24 0.04 -0.52 0.00 0.34 0.00 0.00 59.36 58.99 1wry h GLU 114 Cb 1.99 0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 30.72 1wry h GLU 114 CO 0.22 -0.43 1.69 1.55 -1.16 0.00 0.00 179.01 180.88 1wry n VAL 115 N -3.90 -0.01 -1.55 3.13 3.14 0.24 -4.71 118.33 114.67 1wry n VAL 115 Ca -0.08 -0.21 -0.31 0.00 -2.96 0.00 0.00 64.34 60.78 1wry n VAL 115 Cb 0.27 -1.12 -0.06 0.00 -1.06 0.00 0.00 33.84 31.88 1wry n VAL 115 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1wry n SER 116 N 11.60 1.91 0.00 6.55 7.64 -1.26 -4.67 113.62 135.38 1wry n SER 116 Ca 0.57 -0.67 0.00 0.00 1.01 0.00 0.00 58.87 59.78 1wry n SER 116 Cb 0.16 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 61.85 1wry n SER 116 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wry n GLY 117 N 6.22 1.90 3.55 0.23 0.00 -1.26 -5.08 105.19 110.74 1wry n GLY 117 Ca 0.43 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 1.88 2.99 -0.29 1.61 0.04 -1.26 -4.88 135.00 135.08 1wry s PRO 118 Ca 0.00 -0.21 -0.14 0.00 0.04 0.00 0.00 61.00 60.69 1wry s PRO 118 Cb 0.00 -4.69 0.13 0.00 0.04 0.00 0.00 34.50 29.98 1wry s PRO 118 CO 0.00 -2.59 0.81 0.45 0.04 0.00 0.00 177.00 175.71 1wry s SER 119 N 6.14 -0.82 -1.27 6.66 0.15 -1.26 -4.66 113.70 118.63 1wry s SER 119 Ca 0.54 1.22 -0.14 0.00 0.70 0.00 0.00 55.95 58.27 1wry s SER 119 Cb -0.07 1.65 0.14 0.00 -1.71 0.00 0.00 66.02 66.02 1wry s SER 119 CO 0.08 -0.18 1.67 -0.24 1.20 0.00 0.00 173.24 175.76 1wry n SER 120 N 4.61 5.02 0.00 5.45 2.88 -1.26 -4.92 113.62 125.40 1wry n SER 120 Ca -0.15 -2.98 0.07 0.00 -1.33 0.00 0.00 58.87 54.47 1wry n SER 120 Cb 0.55 -1.60 0.39 0.00 -0.75 0.00 0.00 64.21 62.80 1wry n SER 120 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42