#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wry n SER 2 N 0.00 -6.51 -2.43 1.61 7.64 -1.26 -4.92 113.62 107.76 1wry n SER 2 Ca 0.00 1.00 -0.02 0.00 1.01 0.00 0.00 58.87 60.86 1wry n SER 2 Cb 0.00 -3.57 -0.02 0.00 -1.01 0.00 0.00 64.21 59.62 1wry n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wry n SER 3 N 1.16 -4.23 0.00 6.43 2.88 -1.26 -5.08 113.62 113.53 1wry n SER 3 Ca 0.00 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.67 1wry n SER 3 Cb 0.00 -4.47 0.00 0.00 -0.75 0.00 0.00 64.21 58.99 1wry n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wry n GLY 4 N 0.90 -0.51 3.95 0.46 0.00 -1.26 -5.17 105.19 103.56 1wry n GLY 4 Ca -0.15 0.83 -0.24 0.00 0.00 0.00 0.00 46.02 46.47 1wry n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wry s SER 5 N 0.00 5.84 -0.49 1.61 1.04 -1.26 -5.07 113.70 115.37 1wry s SER 5 Ca 0.00 0.37 0.03 0.00 0.48 0.00 0.00 55.95 56.83 1wry s SER 5 Cb 0.00 -1.60 0.16 0.00 0.10 0.00 0.00 66.02 64.68 1wry s SER 5 CO 0.00 -0.72 0.35 -0.55 0.98 0.00 0.00 173.24 173.29 1wry s SER 6 N -4.22 2.94 0.00 7.02 0.15 -1.26 -5.08 113.70 113.25 1wry s SER 6 Ca 0.49 -3.10 0.00 0.00 0.70 0.00 0.00 55.95 54.04 1wry s SER 6 Cb -0.10 -0.88 0.00 0.00 -1.71 0.00 0.00 66.02 63.33 1wry s SER 6 CO 0.39 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.26 1wry n GLY 7 N 2.88 -0.10 2.96 9.45 0.00 -1.26 -4.86 105.19 114.26 1wry n GLY 7 Ca 0.21 -1.87 -0.30 0.00 0.00 0.00 0.00 46.02 44.05 1wry n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wry s MET 8 N -1.34 1.93 0.32 1.61 1.00 -1.26 -5.09 119.30 116.47 1wry s MET 8 Ca 0.00 -2.54 -0.28 0.00 0.00 0.00 0.00 55.69 52.86 1wry s MET 8 Cb 0.00 -3.31 -0.10 0.00 0.00 0.00 0.00 34.83 31.42 1wry s MET 8 CO 0.00 -1.09 1.16 0.08 0.00 0.00 0.00 175.02 175.17 1wry s VAL 9 N -0.16 3.24 -0.38 -6.03 1.01 -1.26 -4.95 120.40 111.87 1wry s VAL 9 Ca 0.16 1.21 -0.08 0.00 0.00 0.00 0.00 61.98 63.27 1wry s VAL 9 Cb -0.25 -3.75 0.06 0.00 0.00 0.00 0.00 36.38 32.44 1wry s VAL 9 CO -0.01 0.25 0.19 -0.63 0.00 0.00 0.00 175.10 174.90 1wry s ILE 10 N -1.22 3.99 -0.18 2.22 -1.09 -1.09 -1.06 121.20 122.76 1wry s ILE 10 Ca 0.48 -1.33 -0.09 0.00 -2.23 0.00 0.00 60.65 57.48 1wry s ILE 10 Cb -0.33 -3.38 -0.05 0.00 -1.58 0.00 0.00 42.46 37.12 1wry s ILE 10 CO 0.43 -0.38 0.11 -0.13 -1.23 0.00 0.00 174.94 173.74 1wry s ARG 11 N 1.40 4.02 -0.10 2.79 0.52 0.85 0.20 118.95 128.64 1wry s ARG 11 Ca 0.02 -0.24 0.04 0.00 -0.52 0.00 0.00 55.73 55.03 1wry s ARG 11 Cb -0.21 -3.33 -0.00 0.00 0.52 0.00 0.00 34.95 31.92 1wry s ARG 11 CO 0.02 0.37 -0.24 0.08 0.02 0.00 0.00 175.30 175.55 1wry s VAL 12 N 0.15 2.10 -0.53 3.52 1.01 -0.23 -0.57 120.40 125.86 1wry s VAL 12 Ca 0.08 -1.01 -0.16 0.00 0.00 0.00 0.00 61.98 60.89 1wry s VAL 12 Cb -0.11 -1.79 0.12 0.00 0.00 0.00 0.00 36.38 34.59 1wry s VAL 12 CO -0.01 0.56 0.48 -0.31 0.00 0.00 0.00 175.10 175.82 1wry s TYR 13 N 0.27 3.26 0.28 5.22 1.51 -1.11 0.65 117.35 127.43 1wry s TYR 13 Ca -0.16 -1.27 0.07 0.00 -1.01 0.00 0.00 57.07 54.70 1wry s TYR 13 Cb -0.17 -3.70 -0.03 0.00 -0.11 0.00 0.00 41.96 37.94 1wry s TYR 13 CO 0.08 -0.99 0.25 0.96 -1.11 0.00 0.00 175.55 174.74 1wry s ILE 14 N 1.60 4.18 -0.84 2.71 -4.36 0.50 -3.21 121.20 121.78 1wry s ILE 14 Ca 0.03 -1.35 0.01 0.00 -0.26 0.00 0.00 60.65 59.09 1wry s ILE 14 Cb -0.29 -3.36 0.32 0.00 1.25 0.00 0.00 42.46 40.38 1wry s ILE 14 CO 0.03 -0.28 1.37 0.00 0.24 0.00 0.00 174.94 176.30 1wry n ALA 15 N -1.28 5.27 -1.36 2.27 0.00 -1.26 0.21 120.51 124.36 1wry n ALA 15 Ca -0.06 -4.69 -0.53 0.00 0.00 0.00 0.00 53.44 48.16 1wry n ALA 15 Cb 0.58 -1.57 -0.07 0.00 0.00 0.00 0.00 19.45 18.39 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 0.15 -0.03 -0.58 0.00 2.88 -1.26 0.54 113.62 115.32 1wry n SER 16 Ca 0.37 1.05 -0.06 0.00 -1.33 0.00 0.00 58.87 58.91 1wry n SER 16 Cb 0.33 -0.84 -0.01 0.00 -0.75 0.00 0.00 64.21 62.95 1wry n SER 16 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wry n SER 17 N 1.37 -2.67 0.03 -3.46 7.64 -1.26 -4.57 113.62 110.70 1wry n SER 17 Ca 0.18 0.03 -0.03 0.00 1.01 0.00 0.00 58.87 60.07 1wry n SER 17 Cb 0.08 -1.68 -0.02 0.00 -1.01 0.00 0.00 64.21 61.58 1wry n SER 17 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1wry h SER 18 N 0.00 -0.24 0.00 6.43 0.87 -0.34 -3.48 113.55 116.79 1wry h SER 18 Ca -0.13 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1wry h SER 18 Cb 0.91 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 1wry h SER 18 CO 0.16 -0.09 0.00 0.61 -0.53 0.00 0.00 176.83 176.98 1wry n GLY 19 N -1.08 4.11 3.60 5.77 0.00 -1.26 -5.08 105.19 111.24 1wry n GLY 19 Ca -0.02 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 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 0.00 6.39 0.35 1.61 0.01 -1.26 -4.87 113.70 115.93 1wry s SER 20 Ca 0.00 0.66 0.16 0.00 1.31 0.00 0.00 55.95 58.08 1wry s SER 20 Cb 0.00 -2.54 1.18 0.00 0.21 0.00 0.00 66.02 64.86 1wry s SER 20 CO 0.00 -1.42 1.61 0.74 0.41 0.00 0.00 173.24 174.58 1wry h THR 21 N 6.40 0.13 -0.25 1.44 2.02 -1.98 0.11 112.91 120.78 1wry h THR 21 Ca -0.26 -0.04 0.03 0.00 0.77 0.00 0.00 66.41 66.90 1wry h THR 21 Cb 1.09 -0.01 -0.05 0.00 -1.74 0.00 0.00 68.15 67.44 1wry h THR 21 CO 1.11 0.02 -0.33 0.00 0.37 0.00 0.00 175.52 176.69 1wry h ALA 22 N 1.93 -0.58 0.16 6.16 0.00 -1.98 0.82 119.26 125.76 1wry h ALA 22 Ca 0.77 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.69 1wry h ALA 22 Cb 1.91 0.96 -0.04 0.00 0.00 0.00 0.00 17.79 20.62 1wry h ALA 22 CO -0.72 -0.74 -0.47 0.82 0.00 0.00 0.00 179.25 178.14 1wry h ILE 23 N -0.23 0.00 -1.00 0.00 2.04 -1.12 0.49 117.51 117.69 1wry h ILE 23 Ca 0.04 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.10 1wry h ILE 23 Cb 0.35 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.25 1wry h ILE 23 CO -0.36 0.00 -0.27 0.11 0.00 0.00 0.00 178.15 177.63 1wry h LYS 24 N -0.71 -0.00 0.52 2.37 1.57 -0.84 1.20 116.57 120.68 1wry h LYS 24 Ca -0.01 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1wry h LYS 24 Cb 0.69 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.01 1wry h LYS 24 CO -0.23 -0.00 -0.25 -0.22 -0.57 0.00 0.00 179.45 178.18 1wry h LYS 25 N -0.00 -0.67 -0.78 3.15 3.64 0.18 0.24 116.57 122.33 1wry h LYS 25 Ca 0.45 0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.98 1wry h LYS 25 Cb 0.70 0.15 -0.12 0.00 -0.41 0.00 0.00 32.23 32.56 1wry h LYS 25 CO -1.02 -0.45 -0.48 0.87 -2.27 0.00 0.00 179.45 176.11 1wry h LYS 26 N -0.71 -0.12 -0.93 1.90 1.57 0.20 1.67 116.57 120.14 1wry h LYS 26 Ca -0.07 0.01 0.15 0.00 -1.87 0.00 0.00 60.65 58.87 1wry h LYS 26 Cb 0.53 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.78 1wry h LYS 26 CO 0.12 -0.08 0.54 1.96 -0.57 0.00 0.00 179.45 181.42 1wry h GLN 27 N -0.12 0.75 0.00 3.15 4.20 0.14 0.80 115.11 124.03 1wry h GLN 27 Ca 0.21 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1wry h GLN 27 Cb 0.53 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1wry h GLN 27 CO -0.82 0.50 0.00 1.96 -0.67 0.00 0.00 178.83 179.80 1wry h GLN 28 N 0.77 0.00 0.11 1.46 4.20 0.43 -0.08 115.11 122.01 1wry h GLN 28 Ca 0.50 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.91 1wry h GLN 28 Cb 0.66 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 1wry h GLN 28 CO -0.34 0.00 -1.47 0.22 -0.67 0.00 0.00 178.83 176.57 1wry h ASP 29 N 0.00 0.38 0.88 1.46 1.82 0.82 0.14 116.42 121.91 1wry h ASP 29 Ca 0.00 -0.50 -0.22 0.00 -0.39 0.00 0.00 57.03 55.92 1wry h ASP 29 Cb 0.68 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 40.54 1wry h ASP 29 CO 0.00 1.41 -1.01 0.58 -1.61 0.00 0.00 179.24 178.61 1wry h VAL 30 N 0.07 1.65 0.00 2.25 2.07 0.01 -2.39 116.25 119.90 1wry h VAL 30 Ca -0.22 -3.22 -0.03 0.00 0.82 0.00 0.00 66.70 64.05 1wry h VAL 30 Cb 2.00 2.79 -0.00 0.00 -1.52 0.00 0.00 31.29 34.56 1wry h VAL 30 CO 0.17 0.92 -0.18 -0.07 0.02 0.00 0.00 177.57 178.44 1wry h LEU 31 N 0.02 0.00 -1.66 2.57 3.38 -1.10 -3.08 115.31 115.45 1wry h LEU 31 Ca -0.04 -0.77 0.12 0.00 0.09 0.00 0.00 57.88 57.28 1wry h LEU 31 Cb 1.74 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.46 1wry h LEU 31 CO 0.14 0.99 0.42 1.23 0.09 0.00 0.00 178.44 181.31 1wry h GLY 32 N -1.00 0.55 0.72 0.83 0.00 -0.83 -0.44 103.07 102.90 1wry h GLY 32 Ca -0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 1wry h GLY 32 CO -0.03 0.08 -0.21 -2.75 0.00 0.00 0.00 176.54 173.63 1wry h PHE 33 N 0.37 -0.55 -0.06 5.60 3.57 -1.52 0.33 116.94 124.68 1wry h PHE 33 Ca 0.30 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.80 1wry h PHE 33 Cb 0.66 0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.58 1wry h PHE 33 CO -0.00 -0.22 0.08 -0.07 -2.23 0.00 0.00 178.31 175.87 1wry h LEU 34 N -0.88 0.00 0.22 0.59 3.38 -1.32 0.43 115.31 117.72 1wry h LEU 34 Ca -0.06 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.61 1wry h LEU 34 Cb 0.57 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.35 1wry h LEU 34 CO 0.10 0.00 -1.31 -0.33 0.09 0.00 0.00 178.44 176.99 1wry h GLU 35 N 0.00 0.47 0.00 1.13 5.08 -0.76 1.54 114.58 122.04 1wry h GLU 35 Ca 0.03 -0.80 -0.08 0.00 -1.00 0.00 0.00 59.36 57.51 1wry h GLU 35 Cb 0.19 0.30 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 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 0.13 1.03 -0.07 3.43 0.00 0.14 -2.00 119.26 121.91 1wry h ALA 36 Ca -0.23 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1wry h ALA 36 Cb 2.02 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1wry h ALA 36 CO 0.24 0.50 0.00 0.09 0.00 0.00 0.00 179.25 180.07 1wry n ASN 37 N -3.61 2.11 -3.78 0.00 3.02 0.13 -4.94 115.26 108.19 1wry n ASN 37 Ca -0.01 -1.71 -0.24 0.00 -0.03 0.00 0.00 54.58 52.60 1wry n ASN 37 Cb 0.51 -0.03 0.02 0.00 -0.61 0.00 0.00 39.78 39.66 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 0.64 -3.88 -3.64 3.52 4.01 -0.64 -4.95 118.16 113.22 1wry n LYS 38 Ca 0.17 0.53 -0.32 0.00 -0.51 0.00 0.00 58.31 58.18 1wry n LYS 38 Cb 0.44 -4.85 -0.05 0.00 -0.51 0.00 0.00 35.03 30.07 1wry n LYS 38 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1wry s ILE 39 N -3.75 5.14 -1.27 -0.18 1.01 0.52 -5.01 121.20 117.67 1wry s ILE 39 Ca 0.06 0.17 -0.15 0.00 0.00 0.00 0.00 60.65 60.73 1wry s ILE 39 Cb -0.02 -3.62 0.13 0.00 0.01 0.00 0.00 42.46 38.95 1wry s ILE 39 CO 0.84 0.11 1.66 0.61 0.00 0.00 0.00 174.94 178.16 1wry n GLY 40 N 0.33 3.39 3.91 6.18 0.00 -1.26 -4.73 105.19 113.00 1wry n GLY 40 Ca -0.04 -1.81 -0.24 0.00 0.00 0.00 0.00 46.02 43.93 1wry n GLY 40 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1wry s PHE 41 N 2.42 1.89 0.07 1.61 -0.71 -1.26 -2.68 117.98 119.32 1wry s PHE 41 Ca 0.46 -0.74 0.05 0.00 -1.04 0.00 0.00 56.93 55.67 1wry s PHE 41 Cb 0.02 -2.01 -0.03 0.00 -1.21 0.00 0.00 43.02 39.79 1wry s PHE 41 CO 0.02 -0.45 -0.14 -1.21 -1.34 0.00 0.00 175.22 172.10 1wry s GLU 42 N -4.28 0.81 -0.31 1.99 0.41 0.54 -4.85 118.70 113.01 1wry s GLU 42 Ca 0.41 -0.93 -0.08 0.00 -0.41 0.00 0.00 54.97 53.96 1wry s GLU 42 Cb -0.03 -0.80 0.01 0.00 -1.78 0.00 0.00 34.13 31.53 1wry s GLU 42 CO 0.25 0.18 0.13 -1.21 -0.49 0.00 0.00 175.26 174.11 1wry s GLU 43 N -1.68 3.11 -0.21 1.61 2.02 -1.26 -1.07 118.70 121.21 1wry s GLU 43 Ca -0.02 -0.86 -0.02 0.00 0.02 0.00 0.00 54.97 54.08 1wry s GLU 43 Cb -0.10 -3.50 0.00 0.00 0.10 0.00 0.00 34.13 30.64 1wry s GLU 43 CO 0.02 -0.49 -0.09 0.15 0.02 0.00 0.00 175.26 174.88 1wry s LYS 44 N 1.54 3.19 -0.06 1.61 -0.14 0.21 -4.96 119.74 121.13 1wry s LYS 44 Ca 0.03 -0.73 -0.21 0.00 -1.36 0.00 0.00 55.97 53.69 1wry s LYS 44 Cb -0.18 -2.89 -0.04 0.00 -1.68 0.00 0.00 37.83 33.04 1wry s LYS 44 CO 0.04 -0.23 0.61 0.34 -0.76 0.00 0.00 175.35 175.35 1wry s ASP 45 N 1.41 6.90 -0.07 2.83 -1.08 -1.25 0.19 116.67 125.60 1wry s ASP 45 Ca 0.05 1.08 0.18 0.00 -0.52 0.00 0.00 52.55 53.34 1wry s ASP 45 Cb -0.14 -2.37 -0.27 0.00 -1.46 0.00 0.00 42.92 38.68 1wry s ASP 45 CO -0.06 -0.03 0.30 2.30 0.52 0.00 0.00 175.17 178.20 1wry n ILE 46 N 3.47 0.37 0.00 4.11 -5.35 0.56 -4.04 119.36 118.49 1wry n ILE 46 Ca -0.04 -0.52 0.00 0.00 -0.27 0.00 0.00 62.75 61.91 1wry n ILE 46 Cb 0.51 -0.12 0.00 0.00 -1.74 0.00 0.00 39.64 38.29 1wry n ILE 46 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wry n ALA 47 N -2.30 -0.28 -0.93 -1.28 0.00 -1.26 -4.28 120.51 110.18 1wry n ALA 47 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1wry n ALA 47 Cb 0.67 0.07 0.00 0.00 0.00 0.00 0.00 19.45 20.19 1wry n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wry n ALA 48 N -1.66 -0.03 -1.67 0.00 0.00 -1.26 -4.62 120.51 111.26 1wry n ALA 48 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 53.44 52.96 1wry n ALA 48 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 -0.60 3.18 -0.08 0.00 4.13 -1.26 -4.88 115.26 115.75 1wry n ASN 49 Ca 0.00 1.02 -0.14 0.00 1.68 0.00 0.00 54.58 57.14 1wry n ASN 49 Cb 0.00 -1.37 -0.08 0.00 -1.54 0.00 0.00 39.78 36.79 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 7.75 0.00 -0.92 3.52 4.57 -1.82 -3.31 114.58 124.37 1wry h GLU 50 Ca -0.47 0.00 0.16 0.00 -1.18 0.00 0.00 59.36 57.87 1wry h GLU 50 Cb 1.27 0.00 -0.16 0.00 -0.16 0.00 0.00 28.75 29.70 1wry h GLU 50 CO 0.92 0.68 -0.32 -0.85 -1.18 0.00 0.00 179.01 178.26 1wry n GLU 51 N -4.55 -0.17 -0.02 1.92 0.28 -1.26 0.14 120.64 116.98 1wry n GLU 51 Ca -0.18 1.43 -0.09 0.00 -0.16 0.00 0.00 57.16 58.16 1wry n GLU 51 Cb 0.47 -2.12 -0.03 0.00 1.43 0.00 0.00 31.44 31.19 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 -0.71 0.79 -1.84 4.21 -1.86 1.01 115.58 117.17 1wry h ASN 52 Ca 0.36 0.12 -0.04 0.00 1.21 0.00 0.00 56.30 57.96 1wry h ASN 52 Cb 0.59 0.33 0.01 0.00 -1.12 0.00 0.00 38.32 38.13 1wry h ASN 52 CO -0.93 -0.27 -0.38 -0.09 -1.29 0.00 0.00 177.43 174.47 1wry h ARG 53 N -0.27 -1.02 0.01 0.81 2.43 0.61 0.30 114.38 117.25 1wry h ARG 53 Ca 0.11 0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1wry h ARG 53 Cb 0.44 0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 1wry h ARG 53 CO -0.33 -0.67 -0.16 -0.22 -1.51 0.00 0.00 179.97 177.09 1wry h LYS 54 N -1.10 -0.19 -0.75 0.20 3.64 0.16 1.40 116.57 119.93 1wry h LYS 54 Ca -0.11 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.40 1wry h LYS 54 Cb 0.82 0.04 -0.13 0.00 -0.41 0.00 0.00 32.23 32.55 1wry h LYS 54 CO 0.18 -0.13 -0.38 2.35 -2.27 0.00 0.00 179.45 179.20 1wry h TRP 55 N -0.20 -1.08 -0.44 1.91 7.01 0.10 0.51 115.95 123.76 1wry h TRP 55 Ca 0.00 0.09 0.09 0.00 2.11 0.00 0.00 58.89 61.18 1wry h TRP 55 Cb 0.21 0.58 -0.08 0.00 -2.10 0.00 0.00 29.16 27.78 1wry h TRP 55 CO -0.39 -0.40 -0.04 1.98 -2.79 0.00 0.00 178.44 176.80 1wry h MET 56 N -0.11 0.07 -0.16 2.65 4.05 0.43 0.68 114.93 122.54 1wry h MET 56 Ca 0.26 -0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.72 1wry h MET 56 Cb 0.57 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.34 1wry h MET 56 CO -0.81 0.04 0.12 0.00 0.23 0.00 0.00 176.91 176.50 1wry h ARG 57 N 0.07 0.00 0.00 0.39 3.08 0.65 0.36 114.38 118.93 1wry h ARG 57 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1wry h ARG 57 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1wry h ARG 57 CO -0.40 0.00 -0.69 0.93 -1.07 0.00 0.00 179.97 178.75 1wry h GLU 58 N 0.00 0.00 0.00 0.04 5.08 0.30 -3.36 114.58 116.64 1wry h GLU 58 Ca 0.07 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1wry h GLU 58 Cb 0.32 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 1wry h GLU 58 CO -0.00 0.00 -0.25 -0.91 -1.00 0.00 0.00 179.01 176.85 1wry h ASN 59 N 0.00 0.00 -0.99 1.42 -0.26 0.40 -3.47 115.58 112.68 1wry h ASN 59 Ca 0.00 -0.43 -0.72 0.00 -0.56 0.00 0.00 56.30 54.59 1wry h ASN 59 Cb 0.77 0.00 0.08 0.00 -1.06 0.00 0.00 38.32 38.12 1wry h ASN 59 CO 0.00 0.85 -0.27 0.52 -1.06 0.00 0.00 177.43 177.47 1wry n VAL 60 N -4.65 1.13 -2.54 2.81 0.31 0.39 -4.87 118.33 110.91 1wry n VAL 60 Ca -0.09 -0.28 -0.35 0.00 -0.01 0.00 0.00 64.34 63.61 1wry n VAL 60 Cb 0.31 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.20 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 -0.56 3.88 0.38 5.55 0.04 -1.26 -4.84 135.00 138.18 1wry s PRO 61 Ca 0.75 1.39 0.27 0.00 0.04 0.00 0.00 61.00 63.46 1wry s PRO 61 Cb -1.07 -2.19 1.34 0.00 0.04 0.00 0.00 34.50 32.62 1wry s PRO 61 CO 0.56 -0.37 1.83 1.05 0.04 0.00 0.00 177.00 180.11 1wry h GLU 62 N 1.75 0.00 0.00 4.56 4.11 -1.93 0.39 114.58 123.46 1wry h GLU 62 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 1wry h GLU 62 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1wry h GLU 62 CO 0.60 0.00 -0.30 -1.71 0.07 0.00 0.00 179.01 177.67 1wry n ASN 63 N -2.48 0.51 -0.02 3.06 5.15 -1.26 -3.64 115.26 116.58 1wry n ASN 63 Ca -0.00 0.24 0.02 0.00 -0.60 0.00 0.00 54.58 54.23 1wry n ASN 63 Cb 0.13 -0.21 -0.08 0.00 -0.53 0.00 0.00 39.78 39.10 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 -1.86 2.67 -4.73 1.20 7.64 0.65 -5.02 113.62 114.17 1wry n SER 64 Ca 0.05 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.53 1wry n SER 64 Cb 0.39 1.20 0.02 0.00 -1.01 0.00 0.00 64.21 64.81 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 -2.04 1.95 -1.53 1.43 1.74 0.11 -4.97 116.66 113.35 1wry n ARG 65 Ca -0.07 0.70 -0.29 0.00 -0.77 0.00 0.00 57.85 57.42 1wry n ARG 65 Cb 0.47 -2.51 0.14 0.00 -1.02 0.00 0.00 32.46 29.54 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 -2.48 0.97 0.27 5.56 0.04 -1.26 -4.92 135.00 133.18 1wry s PRO 66 Ca 0.64 0.23 -0.02 0.00 0.04 0.00 0.00 61.00 61.89 1wry s PRO 66 Cb -0.46 -1.83 0.59 0.00 0.04 0.00 0.00 34.50 32.84 1wry s PRO 66 CO 0.55 -2.30 1.65 0.00 0.04 0.00 0.00 177.00 176.95 1wry h ALA 67 N -1.57 1.08 -1.24 8.56 0.00 -1.94 -3.43 119.26 120.72 1wry h ALA 67 Ca -0.50 0.21 0.15 0.00 0.00 0.00 0.00 54.91 54.78 1wry h ALA 67 Cb 1.32 0.32 -0.31 0.00 0.00 0.00 0.00 17.79 19.12 1wry h ALA 67 CO 0.59 -0.42 0.73 -0.08 0.00 0.00 0.00 179.25 180.07 1wry s THR 68 N -6.00 0.00 0.00 0.00 -1.32 -1.26 -5.01 115.64 102.05 1wry s THR 68 Ca -0.13 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.35 1wry s THR 68 Cb 0.24 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.23 1wry s THR 68 CO 0.76 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.78 1wry n GLY 69 N 1.89 1.91 1.23 6.08 0.00 -1.26 -5.04 105.19 109.99 1wry n GLY 69 Ca -0.11 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.34 -2.88 -2.40 1.61 4.01 -1.26 -4.62 117.16 111.28 1wry n TYR 70 Ca 0.00 1.54 -0.43 0.00 -0.16 0.00 0.00 57.90 58.85 1wry n TYR 70 Cb 0.00 -2.62 -0.02 0.00 -0.31 0.00 0.00 39.34 36.39 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 -3.65 4.12 0.38 -0.72 0.04 -1.26 -4.57 135.00 129.33 1wry s PRO 71 Ca 0.00 1.55 -0.20 0.00 0.04 0.00 0.00 61.00 62.40 1wry s PRO 71 Cb 0.00 -3.82 -0.10 0.00 0.04 0.00 0.00 34.50 30.62 1wry s PRO 71 CO 0.00 -0.86 0.88 -0.48 0.04 0.00 0.00 177.00 176.58 1wry s LEU 72 N 3.85 4.02 0.90 -3.56 0.05 -1.26 -4.97 118.68 117.71 1wry s LEU 72 Ca 0.56 1.58 -0.12 0.00 0.05 0.00 0.00 54.13 56.20 1wry s LEU 72 Cb -0.21 -4.34 0.13 0.00 -2.05 0.00 0.00 46.19 39.73 1wry s LEU 72 CO 0.18 -0.28 1.13 -2.16 -0.55 0.00 0.00 176.35 174.67 1wry s PRO 73 N -3.00 1.21 0.95 1.48 0.04 -1.26 -4.67 135.00 129.75 1wry s PRO 73 Ca 0.58 0.31 -0.13 0.00 0.04 0.00 0.00 61.00 61.80 1wry s PRO 73 Cb -0.10 -1.85 0.16 0.00 0.04 0.00 0.00 34.50 32.75 1wry s PRO 73 CO 0.15 -2.16 1.16 -1.25 0.04 0.00 0.00 177.00 174.94 1wry s PRO 74 N -5.27 0.83 -0.02 0.56 0.04 -1.26 -4.85 135.00 125.03 1wry s PRO 74 Ca 0.64 0.17 0.03 0.00 0.04 0.00 0.00 61.00 61.87 1wry s PRO 74 Cb -0.15 -1.81 -0.00 0.00 0.04 0.00 0.00 34.50 32.58 1wry s PRO 74 CO 0.53 -2.39 -0.09 -0.65 0.04 0.00 0.00 177.00 174.44 1wry s GLN 75 N -5.37 0.89 -0.45 4.56 -1.52 -1.20 -3.10 119.66 113.48 1wry s GLN 75 Ca 0.66 -0.32 -0.11 0.00 -1.95 0.00 0.00 55.36 53.63 1wry s GLN 75 Cb -0.13 -0.85 0.09 0.00 -0.22 0.00 0.00 33.01 31.90 1wry s GLN 75 CO 0.53 0.15 0.32 0.42 -0.25 0.00 0.00 175.29 176.47 1wry s ILE 76 N 0.03 4.55 -0.12 1.08 1.09 0.42 -2.74 121.20 125.50 1wry s ILE 76 Ca -0.00 -1.37 0.02 0.00 -1.10 0.00 0.00 60.65 58.19 1wry s ILE 76 Cb -0.07 -3.80 -0.00 0.00 -1.06 0.00 0.00 42.46 37.53 1wry s ILE 76 CO 0.00 -0.59 -0.19 -0.36 -0.10 0.00 0.00 174.94 173.70 1wry s PHE 77 N 1.48 2.68 -0.74 3.97 0.08 0.27 0.24 117.98 125.96 1wry s PHE 77 Ca 0.04 -0.94 -0.21 0.00 0.12 0.00 0.00 56.93 55.94 1wry s PHE 77 Cb -0.24 -1.79 0.10 0.00 -0.57 0.00 0.00 43.02 40.52 1wry s PHE 77 CO 0.03 -0.37 0.98 1.21 -0.10 0.00 0.00 175.22 176.96 1wry s ASN 78 N 0.44 6.33 0.00 1.36 3.84 0.79 -0.10 114.94 127.60 1wry s ASN 78 Ca -0.14 -1.41 0.00 0.00 0.21 0.00 0.00 52.86 51.52 1wry s ASN 78 Cb -0.17 -2.39 0.00 0.00 -0.55 0.00 0.00 41.25 38.14 1wry s ASN 78 CO 0.06 -1.26 0.00 -0.62 -2.79 0.00 0.00 177.10 172.48 1wry n GLU 79 N 7.10 0.00 0.00 0.43 1.02 -0.22 -1.62 120.64 127.35 1wry n GLU 79 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1wry n GLU 79 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.88 1wry n GLU 79 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1wry n SER 80 N 1.32 0.00 -4.66 1.62 2.88 -1.26 -4.84 113.62 108.68 1wry n SER 80 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 1wry n SER 80 Cb 0.00 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 63.63 1wry n SER 80 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1wry s GLN 81 N -1.00 0.83 -0.08 -1.46 -1.52 -0.64 -4.98 119.66 110.81 1wry s GLN 81 Ca 0.00 1.13 -0.05 0.00 -1.95 0.00 0.00 55.36 54.50 1wry s GLN 81 Cb 0.00 -1.74 -0.04 0.00 -0.22 0.00 0.00 33.01 31.02 1wry s GLN 81 CO 0.00 -2.63 0.12 -0.47 -0.25 0.00 0.00 175.29 172.06 1wry s TYR 82 N -2.72 3.48 -0.07 0.91 6.14 -1.26 -0.15 117.35 123.67 1wry s TYR 82 Ca 0.65 0.40 -0.01 0.00 0.64 0.00 0.00 57.07 58.75 1wry s TYR 82 Cb -0.21 -1.87 -0.04 0.00 0.42 0.00 0.00 41.96 40.26 1wry s TYR 82 CO 0.59 0.65 -0.08 0.54 0.64 0.00 0.00 175.55 177.89 1wry n ARG 83 N 1.73 0.17 -3.89 4.97 5.12 0.14 -4.83 116.66 120.06 1wry n ARG 83 Ca -0.17 0.06 0.00 0.00 -1.93 0.00 0.00 57.85 55.80 1wry n ARG 83 Cb 0.54 -0.98 0.00 0.00 -1.16 0.00 0.00 32.46 30.86 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 2.87 -2.85 0.45 -0.13 0.00 -1.02 -5.00 105.19 99.51 1wry n GLY 84 Ca -0.14 -1.35 -0.02 0.00 0.00 0.00 0.00 46.02 44.51 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 3.00 0.37 -0.30 1.61 5.75 -1.26 0.16 116.55 125.88 1wry n ASP 85 Ca 0.00 -1.18 0.08 0.00 -0.01 0.00 0.00 54.79 53.68 1wry n ASP 85 Cb 0.00 -0.04 0.23 0.00 -1.03 0.00 0.00 41.12 40.28 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 0.08 0.76 -0.73 2.11 5.03 -1.87 0.40 116.97 122.75 1wry h TYR 86 Ca -0.03 0.03 0.08 0.00 2.58 0.00 0.00 58.73 61.40 1wry h TYR 86 Cb 0.14 -0.21 -0.07 0.00 1.55 0.00 0.00 36.73 38.15 1wry h TYR 86 CO 0.00 0.16 0.39 -0.44 -1.32 0.00 0.00 178.16 176.95 1wry h ASP 87 N 0.60 0.53 -0.32 -2.11 3.32 -1.94 0.41 116.42 116.91 1wry h ASP 87 Ca 0.47 0.05 -0.16 0.00 0.02 0.00 0.00 57.03 57.41 1wry h ASP 87 Cb 0.70 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.20 1wry h ASP 87 CO -0.38 0.32 -0.44 0.00 -1.72 0.00 0.00 179.24 177.02 1wry h ALA 88 N 1.42 0.49 0.04 3.45 0.00 -1.11 -1.76 119.26 121.79 1wry h ALA 88 Ca 0.35 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1wry h ALA 88 Cb 0.32 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1wry h ALA 88 CO -0.24 0.63 -0.10 0.35 0.00 0.00 0.00 179.25 179.88 1wry h PHE 89 N 0.66 -0.27 0.27 0.00 3.57 0.10 0.10 116.94 121.38 1wry h PHE 89 Ca 0.04 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1wry h PHE 89 Cb 1.04 0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.89 1wry h PHE 89 CO 0.07 -0.16 -0.13 0.35 -2.23 0.00 0.00 178.31 176.21 1wry h PHE 90 N -0.20 -0.33 -0.09 0.41 3.57 -0.25 -1.29 116.94 118.75 1wry h PHE 90 Ca 0.02 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.56 1wry h PHE 90 Cb 0.23 0.11 -0.06 0.00 2.79 0.00 0.00 35.95 39.02 1wry h PHE 90 CO -0.15 -0.19 -0.36 1.49 -2.23 0.00 0.00 178.31 176.87 1wry h GLU 91 N -0.39 -0.45 -0.57 1.11 4.81 -1.18 0.52 114.58 118.43 1wry h GLU 91 Ca -0.04 0.03 0.17 0.00 -0.13 0.00 0.00 59.36 59.39 1wry h GLU 91 Cb 0.30 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1wry h GLU 91 CO 0.06 -0.30 0.44 0.00 -0.73 0.00 0.00 179.01 178.48 1wry h ALA 92 N 0.24 2.49 -0.02 2.92 0.00 -0.70 0.26 119.26 124.44 1wry h ALA 92 Ca 0.08 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1wry h ALA 92 Cb 0.59 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1wry h ALA 92 CO -0.35 -0.74 -0.13 -0.09 0.00 0.00 0.00 179.25 177.95 1wry h ARG 93 N 0.00 0.11 -0.96 0.00 2.43 0.88 1.48 114.38 118.32 1wry h ARG 93 Ca 0.27 -0.10 0.15 0.00 -0.81 0.00 0.00 59.98 59.49 1wry h ARG 93 Cb 1.15 0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 30.63 1wry h ARG 93 CO -0.00 0.80 0.57 0.93 -1.51 0.00 0.00 179.97 180.76 1wry h GLU 94 N -0.53 0.79 -0.33 0.20 4.39 0.18 1.20 114.58 120.47 1wry h GLU 94 Ca -0.01 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1wry h GLU 94 Cb 0.83 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1wry h GLU 94 CO 0.03 0.52 0.00 0.09 -1.16 0.00 0.00 179.01 178.49 1wry n ASN 95 N -4.74 1.54 -3.91 1.42 3.02 -0.54 -4.90 115.26 107.15 1wry n ASN 95 Ca 0.20 -2.04 -0.37 0.00 -0.03 0.00 0.00 54.58 52.35 1wry n ASN 95 Cb 0.46 -0.22 0.02 0.00 -0.61 0.00 0.00 39.78 39.43 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 0.26 -3.84 -0.29 6.41 3.02 0.41 -4.85 115.26 116.38 1wry n ASN 96 Ca 0.09 -1.14 0.00 0.00 -0.03 0.00 0.00 54.58 53.50 1wry n ASN 96 Cb 0.26 -2.58 0.00 0.00 -0.61 0.00 0.00 39.78 36.85 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 1.59 -0.16 5.41 0.00 0.49 -4.16 120.51 119.10 1wry n ALA 97 Ca -0.14 -0.73 -0.13 0.00 0.00 0.00 0.00 53.44 52.44 1wry n ALA 97 Cb 0.60 -0.27 -0.09 0.00 0.00 0.00 0.00 19.45 19.69 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 5.25 0.01 -0.91 0.00 2.07 -1.42 0.33 116.25 121.59 1wry h VAL 98 Ca 0.00 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.77 1wry h VAL 98 Cb 1.22 0.01 -0.15 0.00 -1.52 0.00 0.00 31.29 30.85 1wry h VAL 98 CO 0.00 0.00 0.20 1.88 0.02 0.00 0.00 177.57 179.67 1wry h TYR 99 N -0.36 0.27 -0.56 1.57 0.05 -1.90 0.94 116.97 116.99 1wry h TYR 99 Ca 0.09 0.05 -0.05 0.00 0.05 0.00 0.00 58.73 58.87 1wry h TYR 99 Cb 0.58 0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.33 1wry h TYR 99 CO -0.74 -0.28 0.14 0.00 -1.05 0.00 0.00 178.16 176.23 1wry h ALA 100 N 1.84 0.73 0.00 3.88 0.00 -0.71 0.91 119.26 125.91 1wry h ALA 100 Ca 0.58 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1wry h ALA 100 Cb 1.20 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1wry h ALA 100 CO -0.73 0.43 0.00 0.34 0.00 0.00 0.00 179.25 179.29 1wry n PHE 101 N -4.41 0.33 0.51 0.00 7.35 0.30 -0.99 117.46 120.55 1wry n PHE 101 Ca 0.02 0.14 0.06 0.00 -0.76 0.00 0.00 57.45 56.91 1wry n PHE 101 Cb 0.23 -0.73 0.01 0.00 0.35 0.00 0.00 39.48 39.35 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 1.53 -0.18 -2.13 4.77 0.46 -4.83 117.00 114.81 1wry n LEU 102 Ca 0.02 -0.84 -0.02 0.00 -0.03 0.00 0.00 56.01 55.14 1wry n LEU 102 Cb 0.15 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.23 1wry n LEU 102 CO 0.13 0.30 -0.02 0.61 -1.33 0.00 0.00 177.39 177.07 1wry n GLY 103 N 0.87 0.54 1.77 -0.72 0.00 0.51 -4.92 105.19 103.23 1wry n GLY 103 Ca 0.05 -0.27 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 1wry n GLY 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wry n LEU 104 N -0.26 0.00 -4.42 0.99 4.77 0.29 -4.96 117.00 113.40 1wry n LEU 104 Ca -0.02 -0.87 -0.30 0.00 -0.03 0.00 0.00 56.01 54.78 1wry n LEU 104 Cb 0.18 -0.35 -0.13 0.00 -2.33 0.00 0.00 43.42 40.79 1wry n LEU 104 CO 0.04 -0.79 -0.53 -0.89 -1.33 0.00 0.00 177.39 173.89 1wry s THR 105 N -1.59 2.53 0.11 -5.08 2.01 -1.26 -4.26 115.64 108.11 1wry s THR 105 Ca 0.31 -1.36 -0.05 0.00 0.31 0.00 0.00 61.69 60.90 1wry s THR 105 Cb -0.01 -2.06 -0.05 0.00 0.01 0.00 0.00 72.50 70.38 1wry s THR 105 CO 0.21 0.29 0.36 0.00 -0.69 0.00 0.00 174.62 174.79 1wry s ALA 106 N -0.93 3.80 0.53 7.40 0.00 -1.26 -4.98 121.76 126.31 1wry s ALA 106 Ca 0.14 -0.55 -0.18 0.00 0.00 0.00 0.00 51.96 51.36 1wry s ALA 106 Cb -0.10 -2.12 -0.07 0.00 0.00 0.00 0.00 23.12 20.83 1wry s ALA 106 CO 0.05 0.66 1.04 -1.25 0.00 0.00 0.00 175.76 176.27 1wry s PRO 107 N -2.45 3.63 -0.73 0.00 0.04 -1.26 -4.90 135.00 129.33 1wry s PRO 107 Ca 0.38 1.27 -0.06 0.00 0.04 0.00 0.00 61.00 62.63 1wry s PRO 107 Cb -0.13 -2.07 -0.12 0.00 0.04 0.00 0.00 34.50 32.22 1wry s PRO 107 CO 0.23 -0.56 2.62 -0.35 0.04 0.00 0.00 177.00 178.98 1wry n PRO 108 N -1.41 2.26 0.00 0.56 -0.04 -1.26 -2.84 135.00 132.27 1wry n PRO 108 Ca 0.09 -1.36 0.00 0.00 -0.04 0.00 0.00 63.50 62.19 1wry n PRO 108 Cb 0.53 -2.31 0.00 0.00 -0.04 0.00 0.00 33.50 31.68 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 3.26 0.00 3.45 0.55 0.00 -1.26 -5.09 105.19 106.09 1wry n GLY 109 Ca 0.48 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.28 1wry n GLY 109 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wry s SER 110 N 0.00 2.28 0.41 1.61 0.15 -1.13 -5.00 113.70 112.03 1wry s SER 110 Ca 0.00 -1.50 0.15 0.00 0.70 0.00 0.00 55.95 55.30 1wry s SER 110 Cb 0.00 0.21 0.89 0.00 -1.71 0.00 0.00 66.02 65.41 1wry s SER 110 CO 0.00 -0.77 1.91 0.50 1.20 0.00 0.00 173.24 176.08 1wry h LYS 111 N 2.04 0.00 0.00 5.44 1.63 -1.94 0.97 116.57 124.71 1wry h LYS 111 Ca -0.38 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.32 1wry h LYS 111 Cb 1.26 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.87 1wry h LYS 111 CO 0.62 0.28 -0.50 0.93 -3.45 0.00 0.00 179.45 177.33 1wry h GLU 112 N 0.00 0.00 0.05 1.90 3.07 -1.91 0.38 114.58 118.07 1wry h GLU 112 Ca -0.00 0.00 -0.34 0.00 -0.50 0.00 0.00 59.36 58.52 1wry h GLU 112 Cb 0.51 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.38 1wry h GLU 112 CO 0.04 0.50 -1.95 0.00 -1.40 0.00 0.00 179.01 176.19 1wry n ALA 113 N -2.40 1.26 0.12 3.43 0.00 -0.64 -4.48 120.51 117.80 1wry n ALA 113 Ca -0.01 -0.78 -0.06 0.00 0.00 0.00 0.00 53.44 52.59 1wry n ALA 113 Cb 0.54 -0.66 -0.03 0.00 0.00 0.00 0.00 19.45 19.30 1wry n ALA 113 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1wry h GLU 114 N 0.03 -0.37 0.00 0.00 4.39 1.00 -3.46 114.58 116.18 1wry h GLU 114 Ca -0.39 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.33 1wry h GLU 114 Cb 2.04 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 30.77 1wry h GLU 114 CO 0.06 -0.24 0.00 0.28 -1.16 0.00 0.00 179.01 177.95 1wry n VAL 115 N -4.47 0.00 -0.94 3.13 0.31 0.13 -4.79 118.33 111.70 1wry n VAL 115 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1wry n VAL 115 Cb 0.15 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.08 1wry n VAL 115 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1wry n SER 116 N 2.04 -2.52 0.00 4.52 2.88 -1.26 -5.04 113.62 114.24 1wry n SER 116 Ca 0.00 0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 1wry n SER 116 Cb 0.00 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.17 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 0.13 2.77 0.09 0.46 0.00 -1.26 -4.68 105.19 102.70 1wry n GLY 117 Ca 0.00 -1.72 -0.15 0.00 0.00 0.00 0.00 46.02 44.15 1wry n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wry h PRO 118 N 0.00 0.15 0.51 1.61 0.13 -2.02 -3.36 132.00 129.02 1wry h PRO 118 Ca 0.00 -0.15 -0.03 0.00 -0.87 0.00 0.00 66.00 64.96 1wry h PRO 118 Cb 0.00 0.04 0.01 0.00 0.13 0.00 0.00 31.00 31.17 1wry h PRO 118 CO 0.00 0.86 -0.25 0.66 -0.23 0.00 0.00 178.00 179.05 1wry h SER 119 N -0.50 -0.58 -4.86 1.44 4.64 -2.03 -3.49 113.55 108.17 1wry h SER 119 Ca -0.02 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wry h SER 119 Cb 0.92 0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1wry h SER 119 CO 0.04 -0.30 -0.44 -0.24 -0.87 0.00 0.00 176.83 175.02 1wry n SER 120 N -4.51 -6.90 0.00 4.97 2.88 -1.26 -5.17 113.62 103.63 1wry n SER 120 Ca -0.09 0.49 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 1wry n SER 120 Cb 0.27 -4.62 0.00 0.00 -0.75 0.00 0.00 64.21 59.11 1wry n SER 120 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42