#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wry s SER 2 N 0.00 -1.04 0.25 1.61 0.01 -1.26 -5.17 113.70 108.10 1wry s SER 2 Ca 0.00 1.50 -0.11 0.00 1.31 0.00 0.00 55.95 58.65 1wry s SER 2 Cb 0.00 1.92 -0.01 0.00 0.21 0.00 0.00 66.02 68.14 1wry s SER 2 CO 0.00 -0.22 0.44 -0.94 0.41 0.00 0.00 173.24 172.93 1wry s SER 3 N 2.38 -0.03 0.05 2.44 1.04 -1.26 -5.18 113.70 113.14 1wry s SER 3 Ca -0.07 -1.00 -0.28 0.00 0.48 0.00 0.00 55.95 55.08 1wry s SER 3 Cb -0.09 0.57 0.10 0.00 0.10 0.00 0.00 66.02 66.69 1wry s SER 3 CO -0.19 -1.11 1.17 -0.83 0.98 0.00 0.00 173.24 173.25 1wry s GLY 4 N -3.04 -0.28 0.04 7.32 0.00 -1.26 -5.19 107.32 104.91 1wry s GLY 4 Ca 0.25 0.36 -0.20 0.00 0.00 0.00 0.00 44.72 45.13 1wry s GLY 4 CO 0.10 0.80 0.46 -1.35 0.00 0.00 0.00 173.10 173.11 1wry s SER 5 N -3.09 -0.35 0.35 1.64 1.04 -1.26 -5.18 113.70 106.85 1wry s SER 5 Ca 0.16 0.10 0.03 0.00 0.48 0.00 0.00 55.95 56.72 1wry s SER 5 Cb 0.02 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.54 1wry s SER 5 CO -0.01 -0.67 0.11 -0.94 0.98 0.00 0.00 173.24 172.72 1wry s SER 6 N -1.90 2.22 0.00 7.02 1.04 -1.26 -5.12 113.70 115.69 1wry s SER 6 Ca -0.06 -1.54 0.00 0.00 0.48 0.00 0.00 55.95 54.83 1wry s SER 6 Cb -0.01 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.39 1wry s SER 6 CO -0.01 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.01 1wry n GLY 7 N -0.73 3.69 2.82 7.32 0.00 -1.26 -5.12 105.19 111.91 1wry n GLY 7 Ca -0.03 -1.27 -0.02 0.00 0.00 0.00 0.00 46.02 44.70 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 -5.71 0.59 0.28 1.61 0.00 -1.26 -5.14 119.30 109.68 1wry s MET 8 Ca 0.00 -0.46 -0.23 0.00 0.00 0.00 0.00 55.69 55.00 1wry s MET 8 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 34.83 34.74 1wry s MET 8 CO 0.00 -0.77 0.85 0.08 0.00 0.00 0.00 175.02 175.18 1wry s VAL 9 N 1.29 4.37 -0.37 5.16 1.01 -1.26 -4.97 120.40 125.63 1wry s VAL 9 Ca 0.23 1.58 -0.08 0.00 0.00 0.00 0.00 61.98 63.71 1wry s VAL 9 Cb 0.04 -3.93 0.05 0.00 0.00 0.00 0.00 36.38 32.54 1wry s VAL 9 CO -0.09 0.16 0.17 -0.63 0.00 0.00 0.00 175.10 174.71 1wry s ILE 10 N -1.59 4.00 -0.21 2.22 -1.09 -1.09 -0.72 121.20 122.73 1wry s ILE 10 Ca 0.47 -1.24 -0.10 0.00 -2.23 0.00 0.00 60.65 57.56 1wry s ILE 10 Cb -0.17 -3.35 -0.05 0.00 -1.58 0.00 0.00 42.46 37.31 1wry s ILE 10 CO 0.22 -0.32 0.13 -0.13 -1.23 0.00 0.00 174.94 173.61 1wry s ARG 11 N 1.41 4.13 -0.15 2.79 0.52 0.38 0.20 118.95 128.24 1wry s ARG 11 Ca 0.01 -0.25 0.00 0.00 -0.52 0.00 0.00 55.73 54.97 1wry s ARG 11 Cb -0.21 -3.43 -0.01 0.00 0.52 0.00 0.00 34.95 31.83 1wry s ARG 11 CO 0.03 0.23 -0.15 0.08 0.02 0.00 0.00 175.30 175.50 1wry s VAL 12 N 0.56 2.73 -0.56 3.52 1.01 0.57 0.16 120.40 128.39 1wry s VAL 12 Ca 0.07 -0.76 -0.16 0.00 0.00 0.00 0.00 61.98 61.14 1wry s VAL 12 Cb -0.12 -2.15 0.14 0.00 0.00 0.00 0.00 36.38 34.25 1wry s VAL 12 CO 0.00 0.52 0.52 -0.31 0.00 0.00 0.00 175.10 175.83 1wry s TYR 13 N 0.67 3.28 0.54 5.22 1.51 0.14 0.12 117.35 128.83 1wry s TYR 13 Ca -0.08 -1.34 0.08 0.00 -1.01 0.00 0.00 57.07 54.72 1wry s TYR 13 Cb -0.16 -3.80 0.05 0.00 -0.11 0.00 0.00 41.96 37.94 1wry s TYR 13 CO 0.02 -1.02 0.57 0.96 -1.11 0.00 0.00 175.55 174.97 1wry s ILE 14 N 1.51 2.02 -0.57 2.71 -4.36 0.56 -2.59 121.20 120.47 1wry s ILE 14 Ca 0.04 -1.25 0.06 0.00 -0.26 0.00 0.00 60.65 59.24 1wry s ILE 14 Cb -0.29 -2.27 0.28 0.00 1.25 0.00 0.00 42.46 41.43 1wry s ILE 14 CO 0.02 0.00 0.76 0.00 0.24 0.00 0.00 174.94 175.96 1wry n ALA 15 N -1.94 3.84 -0.38 2.27 0.00 -1.26 0.22 120.51 123.26 1wry n ALA 15 Ca 0.06 -4.48 0.32 0.00 0.00 0.00 0.00 53.44 49.34 1wry n ALA 15 Cb 0.63 -0.85 0.53 0.00 0.00 0.00 0.00 19.45 19.75 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 0.66 0.15 -3.73 0.00 2.88 -1.26 0.49 113.62 112.81 1wry n SER 16 Ca 0.29 1.04 -0.40 0.00 -1.33 0.00 0.00 58.87 58.47 1wry n SER 16 Cb 0.44 -0.51 0.01 0.00 -0.75 0.00 0.00 64.21 63.39 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 -4.17 6.61 0.00 -3.46 2.88 -1.26 -4.70 113.62 109.52 1wry n SER 17 Ca 0.31 -3.57 0.00 0.00 -1.33 0.00 0.00 58.87 54.29 1wry n SER 17 Cb 1.23 -1.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 1wry n SER 17 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wry n SER 18 N 0.53 0.00 0.00 -3.46 2.88 0.18 -4.86 113.62 108.90 1wry n SER 18 Ca 0.36 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 1wry n SER 18 Cb 0.31 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 1wry n SER 18 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wry n GLY 19 N 1.66 2.27 3.58 0.46 0.00 -1.26 -5.04 105.19 106.85 1wry n GLY 19 Ca 0.00 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.20 5.74 0.26 1.61 0.01 -1.26 -4.86 113.70 115.00 1wry s SER 20 Ca 0.00 0.67 -0.09 0.00 1.31 0.00 0.00 55.95 57.84 1wry s SER 20 Cb 0.00 -2.53 0.40 0.00 0.21 0.00 0.00 66.02 64.10 1wry s SER 20 CO 0.00 -1.94 1.58 0.74 0.41 0.00 0.00 173.24 174.03 1wry h THR 21 N 6.72 0.11 -0.58 1.44 2.02 -1.98 0.17 112.91 120.80 1wry h THR 21 Ca -0.29 -0.00 0.06 0.00 0.77 0.00 0.00 66.41 66.95 1wry h THR 21 Cb 1.14 0.11 -0.09 0.00 -1.74 0.00 0.00 68.15 67.58 1wry h THR 21 CO 1.14 0.00 -0.54 0.00 0.37 0.00 0.00 175.52 176.49 1wry h ALA 22 N 1.89 -0.67 0.29 6.16 0.00 -1.99 0.62 119.26 125.56 1wry h ALA 22 Ca 0.43 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.38 1wry h ALA 22 Cb 0.66 1.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.61 1wry h ALA 22 CO -0.91 -0.98 -0.48 0.82 0.00 0.00 0.00 179.25 177.70 1wry h ILE 23 N -0.24 0.00 -1.00 0.00 2.04 -1.09 0.29 117.51 117.51 1wry h ILE 23 Ca 0.10 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.15 1wry h ILE 23 Cb 0.50 0.00 -0.19 0.00 -0.74 0.00 0.00 36.82 36.39 1wry h ILE 23 CO -0.68 0.00 -0.26 0.29 0.00 0.00 0.00 178.15 177.50 1wry n LYS 24 N -5.27 -0.10 0.25 2.37 5.02 -0.30 0.60 118.16 120.73 1wry n LYS 24 Ca -0.10 1.55 -0.10 0.00 -2.02 0.00 0.00 58.31 57.65 1wry n LYS 24 Cb 0.41 -2.32 -0.05 0.00 -0.02 0.00 0.00 35.03 33.05 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 -0.62 -0.98 1.97 3.64 0.12 0.28 116.57 120.98 1wry h LYS 25 Ca 0.47 0.04 0.13 0.00 -1.27 0.00 0.00 60.65 60.02 1wry h LYS 25 Cb 0.72 0.14 -0.14 0.00 -0.41 0.00 0.00 32.23 32.53 1wry h LYS 25 CO -1.02 -0.41 -0.44 1.63 -2.27 0.00 0.00 179.45 176.93 1wry n LYS 26 N -3.76 -0.29 -0.04 1.90 5.02 0.92 0.18 118.16 122.09 1wry n LYS 26 Ca -0.08 1.49 -0.08 0.00 -2.02 0.00 0.00 58.31 57.63 1wry n LYS 26 Cb 0.26 -2.21 -0.02 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 -0.09 0.00 1.97 4.20 0.28 0.28 115.11 121.75 1wry h GLN 27 Ca 0.28 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.99 1wry h GLN 27 Cb 0.53 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.33 1wry h GLN 27 CO -0.95 -0.06 -0.03 1.96 -0.67 0.00 0.00 178.83 179.08 1wry h GLN 28 N -0.10 0.00 0.10 1.46 4.20 0.39 0.20 115.11 121.37 1wry h GLN 28 Ca 0.12 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.57 1wry h GLN 28 Cb 0.28 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 1wry h GLN 28 CO -0.28 0.03 -1.17 0.22 -0.67 0.00 0.00 178.83 176.96 1wry h ASP 29 N 0.00 0.37 1.09 1.46 1.82 0.52 0.35 116.42 122.04 1wry h ASP 29 Ca -0.00 -0.38 -0.18 0.00 -0.39 0.00 0.00 57.03 56.08 1wry h ASP 29 Cb 0.20 -0.12 -0.03 0.00 0.68 0.00 0.00 39.33 40.06 1wry h ASP 29 CO 0.00 1.28 -0.86 0.58 -1.61 0.00 0.00 179.24 178.63 1wry h VAL 30 N 0.08 1.50 0.00 2.25 2.07 0.79 -2.84 116.25 120.09 1wry h VAL 30 Ca -0.11 -3.07 -0.03 0.00 0.82 0.00 0.00 66.70 64.31 1wry h VAL 30 Cb 1.89 2.71 -0.00 0.00 -1.52 0.00 0.00 31.29 34.36 1wry h VAL 30 CO 0.19 0.84 -0.23 -0.07 0.02 0.00 0.00 177.57 178.32 1wry h LEU 31 N 0.00 0.00 -1.09 2.57 3.38 -0.68 -3.09 115.31 116.40 1wry h LEU 31 Ca -0.01 -0.50 0.24 0.00 0.09 0.00 0.00 57.88 57.71 1wry h LEU 31 Cb 1.64 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 42.28 1wry h LEU 31 CO 0.11 0.88 0.61 1.23 0.09 0.00 0.00 178.44 181.37 1wry h GLY 32 N -1.00 1.73 0.81 0.83 0.00 -0.41 0.11 103.07 105.15 1wry h GLY 32 Ca -0.05 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 1wry h GLY 32 CO -0.03 -0.19 -0.32 -2.75 0.00 0.00 0.00 176.54 173.25 1wry h PHE 33 N 0.57 -0.84 0.00 5.60 3.04 -1.62 0.50 116.94 124.19 1wry h PHE 33 Ca 0.62 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.55 1wry h PHE 33 Cb 1.23 0.28 0.00 0.00 2.56 0.00 0.00 35.95 40.02 1wry h PHE 33 CO -0.01 -0.49 0.19 -0.07 -2.02 0.00 0.00 178.31 175.92 1wry h LEU 34 N -1.11 0.00 0.05 0.59 3.38 -1.20 0.52 115.31 117.55 1wry h LEU 34 Ca -0.09 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.69 1wry h LEU 34 Cb 0.73 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1wry h LEU 34 CO 0.15 0.00 -0.95 -0.33 0.09 0.00 0.00 178.44 177.40 1wry h GLU 35 N 0.00 0.12 0.00 1.13 5.08 -0.28 1.04 114.58 121.67 1wry h GLU 35 Ca 0.00 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.11 1wry h GLU 35 Cb 0.38 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1wry h GLU 35 CO 0.00 1.10 -0.22 0.00 -1.00 0.00 0.00 179.01 178.88 1wry h ALA 36 N -0.15 1.27 -0.02 3.43 0.00 0.18 -0.24 119.26 123.74 1wry h ALA 36 Ca -0.22 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1wry h ALA 36 Cb 1.42 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1wry h ALA 36 CO -0.02 0.28 -0.05 0.09 0.00 0.00 0.00 179.25 179.55 1wry n ASN 37 N -3.76 1.61 -3.89 0.00 3.02 0.17 -4.93 115.26 107.48 1wry n ASN 37 Ca -0.01 -1.47 -0.28 0.00 -0.03 0.00 0.00 54.58 52.79 1wry n ASN 37 Cb 0.33 0.03 0.02 0.00 -0.61 0.00 0.00 39.78 39.55 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 0.18 -5.15 -2.91 3.52 4.76 -0.10 -4.93 118.16 113.53 1wry n LYS 38 Ca 0.17 0.58 -0.32 0.00 -2.87 0.00 0.00 58.31 55.87 1wry n LYS 38 Cb 0.38 -5.35 -0.06 0.00 -1.84 0.00 0.00 35.03 28.17 1wry n LYS 38 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1wry s ILE 39 N -3.41 4.60 -1.28 -0.18 1.01 0.36 -4.98 121.20 117.32 1wry s ILE 39 Ca 0.50 1.07 -0.11 0.00 0.00 0.00 0.00 60.65 62.11 1wry s ILE 39 Cb -0.25 -3.64 0.15 0.00 0.01 0.00 0.00 42.46 38.73 1wry s ILE 39 CO 0.84 -0.34 1.79 0.61 0.00 0.00 0.00 174.94 177.83 1wry n GLY 40 N -0.75 4.31 3.93 6.18 0.00 -1.26 -4.76 105.19 112.84 1wry n GLY 40 Ca 0.05 -2.01 -0.23 0.00 0.00 0.00 0.00 46.02 43.83 1wry n GLY 40 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1wry s PHE 41 N 1.04 1.93 -0.01 1.61 -0.71 -1.26 -2.67 117.98 117.91 1wry s PHE 41 Ca 0.41 -0.70 0.02 0.00 -1.04 0.00 0.00 56.93 55.63 1wry s PHE 41 Cb 0.07 -2.08 -0.00 0.00 -1.21 0.00 0.00 43.02 39.80 1wry s PHE 41 CO -0.00 -0.53 -0.07 -1.21 -1.34 0.00 0.00 175.22 172.06 1wry s GLU 42 N -4.33 0.63 -0.36 1.99 2.02 0.54 -4.85 118.70 114.34 1wry s GLU 42 Ca 0.46 -0.25 -0.18 0.00 0.02 0.00 0.00 54.97 55.01 1wry s GLU 42 Cb -0.04 -0.61 -0.00 0.00 0.10 0.00 0.00 34.13 33.58 1wry s GLU 42 CO 0.28 0.14 0.52 -1.21 0.02 0.00 0.00 175.26 175.00 1wry s GLU 43 N -0.08 3.56 -0.16 1.61 2.02 -1.26 -0.32 118.70 124.08 1wry s GLU 43 Ca 0.01 -0.21 -0.00 0.00 0.02 0.00 0.00 54.97 54.79 1wry s GLU 43 Cb -0.04 -3.83 -0.00 0.00 0.10 0.00 0.00 34.13 30.36 1wry s GLU 43 CO -0.00 -0.68 -0.13 0.15 0.02 0.00 0.00 175.26 174.61 1wry s LYS 44 N 2.41 3.27 -0.15 1.61 -0.14 0.32 -4.95 119.74 122.11 1wry s LYS 44 Ca 0.19 -0.72 -0.15 0.00 -1.36 0.00 0.00 55.97 53.93 1wry s LYS 44 Cb -0.15 -2.69 -0.04 0.00 -1.68 0.00 0.00 37.83 33.26 1wry s LYS 44 CO 0.14 0.02 0.35 0.34 -0.76 0.00 0.00 175.35 175.44 1wry s ASP 45 N 0.83 6.51 -0.00 2.83 2.15 -1.26 0.21 116.67 127.93 1wry s ASP 45 Ca -0.04 0.60 0.22 0.00 0.43 0.00 0.00 52.55 53.75 1wry s ASP 45 Cb -0.15 -2.22 -0.22 0.00 -0.30 0.00 0.00 42.92 40.03 1wry s ASP 45 CO 0.00 0.06 0.80 2.30 -0.17 0.00 0.00 175.17 178.16 1wry n ILE 46 N 3.65 0.02 0.00 4.11 -5.35 0.59 -4.23 119.36 118.15 1wry n ILE 46 Ca -0.10 -0.18 0.00 0.00 -0.27 0.00 0.00 62.75 62.20 1wry n ILE 46 Cb 0.52 0.60 0.00 0.00 -1.74 0.00 0.00 39.64 39.01 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 -1.76 -0.31 -1.00 -1.28 0.00 -1.25 -4.49 120.51 110.41 1wry n ALA 47 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1wry n ALA 47 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 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 -1.92 0.00 -1.68 0.00 0.00 -1.26 -4.57 120.51 111.07 1wry n ALA 48 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 53.44 52.93 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 0.00 2.99 0.07 0.00 4.13 -1.26 -4.85 115.26 116.34 1wry n ASN 49 Ca 0.00 1.02 -0.21 0.00 1.68 0.00 0.00 54.58 57.07 1wry n ASN 49 Cb 0.00 -1.30 -0.15 0.00 -1.54 0.00 0.00 39.78 36.79 1wry n ASN 49 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 1wry h GLU 50 N 8.00 0.35 -1.00 3.52 9.09 -1.80 -3.34 114.58 129.40 1wry h GLU 50 Ca -0.47 -0.60 0.38 0.00 0.05 0.00 0.00 59.36 58.72 1wry h GLU 50 Cb 1.29 0.22 -0.18 0.00 -1.65 0.00 0.00 28.75 28.43 1wry h GLU 50 CO 0.94 1.25 0.45 1.05 0.05 0.00 0.00 179.01 182.75 1wry h GLU 51 N 0.10 0.05 0.39 1.06 4.11 -1.93 1.54 114.58 119.90 1wry h GLU 51 Ca -0.31 -0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.10 1wry h GLU 51 Cb 2.08 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.32 1wry h GLU 51 CO 0.18 0.03 -0.19 -0.91 0.07 0.00 0.00 179.01 178.19 1wry h ASN 52 N 0.05 -0.45 0.01 3.06 4.21 -1.88 -0.14 115.58 120.44 1wry h ASN 52 Ca 0.79 -0.13 0.02 0.00 1.21 0.00 0.00 56.30 58.19 1wry h ASN 52 Cb 1.98 0.12 -0.03 0.00 -1.12 0.00 0.00 38.32 39.27 1wry h ASN 52 CO -0.77 -0.07 -0.14 -0.09 -1.29 0.00 0.00 177.43 175.06 1wry h ARG 53 N -0.88 -0.23 0.00 0.81 2.43 -0.13 0.70 114.38 117.07 1wry h ARG 53 Ca -0.05 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1wry h ARG 53 Cb 0.55 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1wry h ARG 53 CO 0.09 -0.16 0.00 1.17 -1.51 0.00 0.00 179.97 179.56 1wry n LYS 54 N -5.27 0.00 -0.27 0.20 4.81 0.48 0.11 118.16 118.21 1wry n LYS 54 Ca -0.05 0.59 -0.05 0.00 -0.87 0.00 0.00 58.31 57.93 1wry n LYS 54 Cb 0.19 -1.41 0.00 0.00 0.02 0.00 0.00 35.03 33.83 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 -1.12 -0.66 5.64 7.01 -1.00 0.53 115.95 126.36 1wry h TRP 55 Ca 0.00 0.09 0.14 0.00 2.11 0.00 0.00 58.89 61.23 1wry h TRP 55 Cb 0.00 0.60 -0.12 0.00 -2.10 0.00 0.00 29.16 27.54 1wry h TRP 55 CO -0.15 -0.40 -0.10 1.98 -2.79 0.00 0.00 178.44 176.98 1wry h MET 56 N -0.12 0.04 -1.01 2.65 4.05 0.74 0.44 114.93 121.71 1wry h MET 56 Ca 0.25 -0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.74 1wry h MET 56 Cb 0.56 -0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 31.28 1wry h MET 56 CO -0.79 0.03 0.65 0.00 0.23 0.00 0.00 176.91 177.02 1wry h ARG 57 N 0.04 1.13 0.00 0.39 3.08 0.58 0.65 114.38 120.26 1wry h ARG 57 Ca 0.33 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1wry h ARG 57 Cb 0.53 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1wry h ARG 57 CO -0.64 0.75 0.00 0.39 -1.07 0.00 0.00 179.97 179.40 1wry n GLU 58 N -4.51 0.22 -0.08 0.04 1.02 0.12 -3.53 120.64 113.91 1wry n GLU 58 Ca 0.16 0.31 -0.11 0.00 -0.02 0.00 0.00 57.16 57.50 1wry n GLU 58 Cb 0.20 -1.83 -0.05 0.00 -0.02 0.00 0.00 31.44 29.74 1wry n GLU 58 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1wry h ASN 59 N 0.00 0.00 -1.12 1.62 -0.26 0.32 -3.47 115.58 112.67 1wry h ASN 59 Ca 0.00 -0.20 -0.79 0.00 -0.56 0.00 0.00 56.30 54.75 1wry h ASN 59 Cb 0.54 0.00 0.04 0.00 -1.06 0.00 0.00 38.32 37.84 1wry h ASN 59 CO 0.00 1.02 0.28 0.52 -1.06 0.00 0.00 177.43 178.19 1wry n VAL 60 N -4.56 0.01 -2.42 2.81 0.31 0.19 -4.87 118.33 109.80 1wry n VAL 60 Ca -0.16 -0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.83 1wry n VAL 60 Cb 0.41 -0.27 -0.02 0.00 -0.91 0.00 0.00 33.84 33.04 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 0.83 3.69 0.50 5.55 0.04 -1.26 -4.85 135.00 139.50 1wry s PRO 61 Ca 0.93 1.31 0.23 0.00 0.04 0.00 0.00 61.00 63.51 1wry s PRO 61 Cb -1.26 -2.08 1.30 0.00 0.04 0.00 0.00 34.50 32.50 1wry s PRO 61 CO 0.61 -0.51 2.05 1.49 0.04 0.00 0.00 177.00 180.67 1wry h GLU 62 N 1.27 0.00 0.00 4.56 4.81 -1.94 0.35 114.58 123.64 1wry h GLU 62 Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 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 0.14 0.00 0.09 -0.73 0.00 0.00 179.01 179.10 1wry n ASN 63 N -3.87 0.00 -0.02 1.04 4.13 -1.26 -2.89 115.26 112.40 1wry n ASN 63 Ca -0.02 0.22 0.01 0.00 1.68 0.00 0.00 54.58 56.47 1wry n ASN 63 Cb 0.24 -0.39 -0.06 0.00 -1.54 0.00 0.00 39.78 38.03 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 -1.39 3.27 -4.64 6.41 7.64 0.29 -5.04 113.62 120.16 1wry n SER 64 Ca 0.09 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.66 1wry n SER 64 Cb 0.24 1.10 0.18 0.00 -1.01 0.00 0.00 64.21 64.73 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 -2.39 0.62 0.78 1.43 0.52 0.98 -4.96 118.95 115.92 1wry s ARG 65 Ca -0.03 1.42 -0.11 0.00 -0.52 0.00 0.00 55.73 56.48 1wry s ARG 65 Cb 0.04 -1.69 0.06 0.00 0.52 0.00 0.00 34.95 33.88 1wry s ARG 65 CO 0.31 -2.86 1.09 -1.25 0.02 0.00 0.00 175.30 172.60 1wry s PRO 66 N -4.61 2.22 0.56 3.54 0.04 -1.26 -4.86 135.00 130.63 1wry s PRO 66 Ca 0.67 0.69 0.45 0.00 0.04 0.00 0.00 61.00 62.85 1wry s PRO 66 Cb -0.23 -1.93 1.63 0.00 0.04 0.00 0.00 34.50 34.01 1wry s PRO 66 CO 0.59 -1.53 1.62 0.00 0.04 0.00 0.00 177.00 177.72 1wry h ALA 67 N -1.03 3.60 -1.60 8.56 0.00 -1.96 -3.40 119.26 123.43 1wry h ALA 67 Ca -0.46 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.45 1wry h ALA 67 Cb 1.26 0.13 -0.24 0.00 0.00 0.00 0.00 17.79 18.93 1wry h ALA 67 CO 0.59 -2.12 0.49 -0.08 0.00 0.00 0.00 179.25 178.13 1wry s THR 68 N -4.85 0.00 0.00 0.00 -1.32 -1.26 -5.16 115.64 103.05 1wry s THR 68 Ca -0.05 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.43 1wry s THR 68 Cb 0.25 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.24 1wry s THR 68 CO 0.84 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.86 1wry n GLY 69 N 1.37 -2.52 3.83 6.08 0.00 -1.26 -4.96 105.19 107.73 1wry n GLY 69 Ca -0.12 -1.73 -0.30 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.48 3.11 -0.12 1.61 2.02 -1.26 -4.34 117.35 117.89 1wry s TYR 70 Ca 0.00 1.26 -0.30 0.00 -0.37 0.00 0.00 57.07 57.66 1wry s TYR 70 Cb 0.00 -2.97 -0.02 0.00 -0.40 0.00 0.00 41.96 38.57 1wry s TYR 70 CO 0.00 -1.35 1.25 -1.25 -1.57 0.00 0.00 175.55 172.63 1wry s PRO 71 N -5.14 4.28 0.44 -1.71 0.04 -1.26 -4.63 135.00 127.01 1wry s PRO 71 Ca 0.59 1.69 -0.21 0.00 0.04 0.00 0.00 61.00 63.11 1wry s PRO 71 Cb -0.13 -3.69 -0.11 0.00 0.04 0.00 0.00 34.50 30.61 1wry s PRO 71 CO 0.54 -0.61 0.95 -0.51 0.04 0.00 0.00 177.00 177.41 1wry s LEU 72 N 3.01 3.91 0.87 -3.56 1.43 -1.26 -5.02 118.68 118.05 1wry s LEU 72 Ca 0.56 1.68 -0.12 0.00 -1.03 0.00 0.00 54.13 55.22 1wry s LEU 72 Cb -0.23 -4.54 0.11 0.00 0.03 0.00 0.00 46.19 41.56 1wry s LEU 72 CO 0.18 -0.39 1.12 -2.16 0.23 0.00 0.00 176.35 175.34 1wry s PRO 73 N -3.28 1.47 0.87 1.29 0.04 -1.26 -4.63 135.00 129.50 1wry s PRO 73 Ca 0.62 0.41 -0.12 0.00 0.04 0.00 0.00 61.00 61.95 1wry s PRO 73 Cb -0.09 -1.87 0.11 0.00 0.04 0.00 0.00 34.50 32.69 1wry s PRO 73 CO 0.15 -2.00 1.12 -1.25 0.04 0.00 0.00 177.00 175.07 1wry s PRO 74 N -5.24 1.51 -0.17 0.56 0.04 -1.26 -4.89 135.00 125.55 1wry s PRO 74 Ca 0.63 0.43 -0.04 0.00 0.04 0.00 0.00 61.00 62.06 1wry s PRO 74 Cb -0.15 -1.87 0.06 0.00 0.04 0.00 0.00 34.50 32.58 1wry s PRO 74 CO 0.54 -1.97 0.07 -0.65 0.04 0.00 0.00 177.00 175.02 1wry s GLN 75 N -5.23 0.31 0.12 4.56 -1.52 -1.07 -3.82 119.66 113.01 1wry s GLN 75 Ca 0.63 -0.20 -0.26 0.00 -1.95 0.00 0.00 55.36 53.57 1wry s GLN 75 Cb -0.15 -1.90 -0.07 0.00 -0.22 0.00 0.00 33.01 30.68 1wry s GLN 75 CO 0.54 -0.64 0.81 0.42 -0.25 0.00 0.00 175.29 176.16 1wry s ILE 76 N 2.02 4.49 -0.07 1.08 1.09 -0.12 0.26 121.20 129.96 1wry s ILE 76 Ca 0.01 1.76 -0.03 0.00 -1.10 0.00 0.00 60.65 61.29 1wry s ILE 76 Cb -0.16 -4.17 0.04 0.00 -1.06 0.00 0.00 42.46 37.11 1wry s ILE 76 CO -0.08 0.44 0.15 -0.36 -0.10 0.00 0.00 174.94 174.98 1wry s PHE 77 N -0.61 -0.17 -0.77 3.97 0.08 0.42 -2.79 117.98 118.12 1wry s PHE 77 Ca 0.39 0.50 -0.23 0.00 0.12 0.00 0.00 56.93 57.71 1wry s PHE 77 Cb -0.22 -0.11 0.07 0.00 -0.57 0.00 0.00 43.02 42.19 1wry s PHE 77 CO 0.26 -0.18 1.11 1.21 -0.10 0.00 0.00 175.22 177.52 1wry s ASN 78 N 1.33 6.30 0.00 1.36 3.84 -0.02 0.14 114.94 127.89 1wry s ASN 78 Ca -0.08 -1.16 0.00 0.00 0.21 0.00 0.00 52.86 51.84 1wry s ASN 78 Cb -0.12 -2.46 0.00 0.00 -0.55 0.00 0.00 41.25 38.13 1wry s ASN 78 CO -0.06 -1.45 0.00 -0.62 -2.79 0.00 0.00 177.10 172.18 1wry n GLU 79 N 7.92 0.00 0.00 0.43 1.02 0.11 -1.62 120.64 128.50 1wry n GLU 79 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 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 0.45 1.18 0.00 0.00 177.13 178.76 1wry n SER 80 N 1.27 0.00 -4.53 1.62 2.88 -1.26 -4.85 113.62 108.75 1wry n SER 80 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 1wry n SER 80 Cb 0.00 0.03 0.24 0.00 -0.75 0.00 0.00 64.21 63.72 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 -1.14 -0.65 -0.09 -1.46 -1.52 -0.64 -4.98 119.66 109.18 1wry s GLN 81 Ca 0.00 0.79 -0.02 0.00 -1.95 0.00 0.00 55.36 54.18 1wry s GLN 81 Cb 0.00 -1.59 -0.03 0.00 -0.22 0.00 0.00 33.01 31.17 1wry s GLN 81 CO 0.00 -3.53 -0.00 -0.47 -0.25 0.00 0.00 175.29 171.04 1wry s TYR 82 N -2.56 3.14 -0.08 0.91 6.14 -1.26 -0.84 117.35 122.80 1wry s TYR 82 Ca 0.68 0.16 -0.09 0.00 0.64 0.00 0.00 57.07 58.46 1wry s TYR 82 Cb -0.24 -1.80 -0.04 0.00 0.42 0.00 0.00 41.96 40.31 1wry s TYR 82 CO 0.63 0.43 -0.19 0.54 0.64 0.00 0.00 175.55 177.61 1wry n ARG 83 N 2.23 0.29 -3.31 4.97 5.12 -1.12 -4.84 116.66 120.00 1wry n ARG 83 Ca -0.18 0.12 0.00 0.00 -1.93 0.00 0.00 57.85 55.85 1wry n ARG 83 Cb 0.53 -1.00 0.00 0.00 -1.16 0.00 0.00 32.46 30.83 1wry n ARG 83 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wry n GLY 84 N 2.31 -1.56 3.34 -0.13 0.00 -1.24 -5.04 105.19 102.88 1wry n GLY 84 Ca -0.14 -1.06 -0.24 0.00 0.00 0.00 0.00 46.02 44.58 1wry n GLY 84 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wry n ASP 85 N 0.94 2.65 -0.41 1.61 5.75 -1.26 -0.94 116.55 124.89 1wry n ASP 85 Ca 0.00 -2.71 0.36 0.00 -0.01 0.00 0.00 54.79 52.42 1wry n ASP 85 Cb 0.00 0.01 0.63 0.00 -1.03 0.00 0.00 41.12 40.73 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 0.73 0.65 0.47 2.11 5.03 -1.91 0.89 116.97 124.93 1wry h TYR 86 Ca -0.32 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.00 1wry h TYR 86 Cb 1.12 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 39.26 1wry h TYR 86 CO 0.00 -0.33 -0.22 -0.44 -1.32 0.00 0.00 178.16 175.85 1wry h ASP 87 N 0.04 -0.53 -0.18 -2.11 3.32 -1.93 0.23 116.42 115.26 1wry h ASP 87 Ca 0.85 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.86 1wry h ASP 87 Cb 2.51 0.14 -0.02 0.00 0.22 0.00 0.00 39.33 42.18 1wry h ASP 87 CO -0.57 -0.35 0.03 0.00 -1.72 0.00 0.00 179.24 176.63 1wry h ALA 88 N -0.16 1.54 -0.66 3.45 0.00 0.15 -0.41 119.26 123.18 1wry h ALA 88 Ca -0.06 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1wry h ALA 88 Cb 0.51 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1wry h ALA 88 CO 0.11 0.34 0.13 0.35 0.00 0.00 0.00 179.25 180.17 1wry h PHE 89 N 0.40 1.13 -0.04 0.00 3.57 0.49 -0.24 116.94 122.24 1wry h PHE 89 Ca 0.09 -0.14 -0.03 0.00 3.53 0.00 0.00 57.97 61.42 1wry h PHE 89 Cb 0.22 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.65 1wry h PHE 89 CO 0.01 0.94 -0.10 0.35 -2.23 0.00 0.00 178.31 177.27 1wry h PHE 90 N 1.01 0.18 -0.29 0.41 3.04 0.21 -2.14 116.94 119.36 1wry h PHE 90 Ca 0.20 -0.07 0.04 0.00 3.98 0.00 0.00 57.97 62.12 1wry h PHE 90 Cb 0.40 -0.03 -0.04 0.00 2.56 0.00 0.00 35.95 38.84 1wry h PHE 90 CO 0.03 0.72 0.07 1.49 -2.02 0.00 0.00 178.31 178.59 1wry h GLU 91 N -0.41 0.17 0.00 1.11 4.81 -1.04 0.29 114.58 119.51 1wry h GLU 91 Ca -0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1wry h GLU 91 Cb 0.71 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.06 1wry h GLU 91 CO 0.02 0.11 -0.03 0.00 -0.73 0.00 0.00 179.01 178.39 1wry h ALA 92 N 1.21 1.08 0.07 2.92 0.00 -1.09 -1.73 119.26 121.71 1wry h ALA 92 Ca 0.13 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1wry h ALA 92 Cb 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1wry h ALA 92 CO -0.17 0.03 -0.03 -0.09 0.00 0.00 0.00 179.25 178.99 1wry h ARG 93 N 0.00 -0.09 -0.83 0.00 2.43 -0.01 1.03 114.38 116.91 1wry h ARG 93 Ca -0.00 0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.34 1wry h ARG 93 Cb 0.25 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.76 1wry h ARG 93 CO 0.00 0.27 0.54 0.93 -1.51 0.00 0.00 179.97 180.21 1wry h GLU 94 N -0.98 0.47 -0.28 0.20 4.39 -0.35 1.38 114.58 119.40 1wry h GLU 94 Ca -0.01 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1wry h GLU 94 Cb 0.40 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1wry h GLU 94 CO 0.02 0.31 0.00 0.09 -1.16 0.00 0.00 179.01 178.27 1wry n ASN 95 N -4.51 1.34 -4.19 1.42 3.02 -0.67 -4.90 115.26 106.77 1wry n ASN 95 Ca 0.16 -2.02 -0.38 0.00 -0.03 0.00 0.00 54.58 52.31 1wry n ASN 95 Cb 0.56 -0.19 -0.04 0.00 -0.61 0.00 0.00 39.78 39.50 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 0.18 -1.51 -0.37 6.41 3.02 0.47 -4.79 115.26 118.67 1wry n ASN 96 Ca 0.08 -1.28 0.00 0.00 -0.03 0.00 0.00 54.58 53.35 1wry n ASN 96 Cb 0.22 -1.69 0.00 0.00 -0.61 0.00 0.00 39.78 37.70 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 -4.81 1.74 -0.18 5.41 0.00 0.31 -3.79 120.51 119.19 1wry n ALA 97 Ca -0.22 -0.78 -0.06 0.00 0.00 0.00 0.00 53.44 52.38 1wry n ALA 97 Cb 0.63 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.76 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 5.79 0.20 -0.85 0.00 2.07 -0.56 0.30 116.25 123.21 1wry h VAL 98 Ca 0.00 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.74 1wry h VAL 98 Cb 1.26 0.20 -0.14 0.00 -1.52 0.00 0.00 31.29 31.10 1wry h VAL 98 CO 0.00 0.00 0.21 1.88 0.02 0.00 0.00 177.57 179.68 1wry h TYR 99 N -0.18 0.31 -0.49 1.57 0.05 -1.90 0.92 116.97 117.25 1wry h TYR 99 Ca 0.22 0.05 -0.08 0.00 0.05 0.00 0.00 58.73 58.97 1wry h TYR 99 Cb 0.54 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.26 1wry h TYR 99 CO -0.60 -0.19 -0.00 0.00 -1.05 0.00 0.00 178.16 176.31 1wry h ALA 100 N 1.75 1.06 0.00 3.88 0.00 -0.70 0.85 119.26 126.11 1wry h ALA 100 Ca 0.52 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1wry h ALA 100 Cb 1.02 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1wry h ALA 100 CO -0.64 0.59 0.00 0.34 0.00 0.00 0.00 179.25 179.54 1wry n PHE 101 N -4.21 0.00 0.35 0.00 7.35 0.29 -1.92 117.46 119.32 1wry n PHE 101 Ca 0.03 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.76 1wry n PHE 101 Cb 0.31 -0.49 0.03 0.00 0.35 0.00 0.00 39.48 39.68 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 -1.49 1.61 -0.85 -2.13 4.77 0.63 -4.79 117.00 114.74 1wry n LEU 102 Ca 0.05 -0.97 -0.11 0.00 -0.03 0.00 0.00 56.01 54.95 1wry n LEU 102 Cb 0.22 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.27 1wry n LEU 102 CO 0.18 0.32 -0.11 0.61 -1.33 0.00 0.00 177.39 177.06 1wry n GLY 103 N 0.52 1.16 2.10 -0.72 0.00 0.46 -4.92 105.19 103.80 1wry n GLY 103 Ca 0.05 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.25 0.00 -4.63 0.99 4.77 0.27 -4.98 117.00 112.17 1wry n LEU 104 Ca -0.11 -1.21 -0.29 0.00 -0.03 0.00 0.00 56.01 54.37 1wry n LEU 104 Cb 0.37 -0.31 -0.09 0.00 -2.33 0.00 0.00 43.42 41.06 1wry n LEU 104 CO 0.17 -0.72 -0.38 -0.89 -1.33 0.00 0.00 177.39 174.24 1wry s THR 105 N -1.36 3.65 0.10 -5.08 2.01 -1.26 -4.31 115.64 109.38 1wry s THR 105 Ca 0.35 -1.19 0.02 0.00 0.31 0.00 0.00 61.69 61.18 1wry s THR 105 Cb -0.02 -2.73 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 1wry s THR 105 CO 0.23 0.09 0.18 0.00 -0.69 0.00 0.00 174.62 174.43 1wry s ALA 106 N -1.31 3.82 0.43 7.40 0.00 -1.26 -4.95 121.76 125.89 1wry s ALA 106 Ca 0.24 -0.98 -0.23 0.00 0.00 0.00 0.00 51.96 50.99 1wry s ALA 106 Cb -0.11 -1.65 -0.09 0.00 0.00 0.00 0.00 23.12 21.27 1wry s ALA 106 CO 0.16 0.70 1.05 -1.25 0.00 0.00 0.00 175.76 176.41 1wry s PRO 107 N -2.73 4.02 -0.48 0.00 0.04 -1.26 -4.94 135.00 129.65 1wry s PRO 107 Ca 0.33 1.46 -0.28 0.00 0.04 0.00 0.00 61.00 62.55 1wry s PRO 107 Cb -0.12 -2.37 0.01 0.00 0.04 0.00 0.00 34.50 32.06 1wry s PRO 107 CO 0.26 -0.26 1.45 -1.25 0.04 0.00 0.00 177.00 177.25 1wry s PRO 108 N -2.77 3.39 0.00 0.56 0.04 -1.26 -3.54 135.00 131.42 1wry s PRO 108 Ca 0.61 0.73 0.00 0.00 0.04 0.00 0.00 61.00 62.38 1wry s PRO 108 Cb -0.20 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.24 1wry s PRO 108 CO 0.25 -1.80 0.00 0.41 0.04 0.00 0.00 177.00 175.89 1wry n GLY 109 N 5.21 0.73 3.28 0.56 0.00 -1.26 -5.13 105.19 108.59 1wry n GLY 109 Ca 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.59 -0.16 0.18 1.61 0.01 -1.23 -5.02 113.70 108.50 1wry s SER 110 Ca 0.00 -0.28 -0.27 0.00 1.31 0.00 0.00 55.95 56.70 1wry s SER 110 Cb 0.00 0.42 0.02 0.00 0.21 0.00 0.00 66.02 66.66 1wry s SER 110 CO 0.00 -0.74 1.54 0.11 0.41 0.00 0.00 173.24 174.56 1wry h LYS 111 N 2.74 -0.02 -0.96 12.44 1.57 -1.93 1.59 116.57 132.00 1wry h LYS 111 Ca -0.33 0.00 0.30 0.00 -1.87 0.00 0.00 60.65 58.76 1wry h LYS 111 Cb 1.22 0.01 -0.16 0.00 0.08 0.00 0.00 32.23 33.38 1wry h LYS 111 CO 0.48 -0.01 0.31 0.93 -0.57 0.00 0.00 179.45 180.58 1wry h GLU 112 N -0.02 0.12 0.09 3.15 3.07 -1.90 1.62 114.58 120.71 1wry h GLU 112 Ca 0.21 -0.01 -0.28 0.00 -0.50 0.00 0.00 59.36 58.78 1wry h GLU 112 Cb 0.47 -0.03 0.02 0.00 -0.84 0.00 0.00 28.75 28.38 1wry h GLU 112 CO -0.93 0.08 -1.17 0.00 -1.40 0.00 0.00 179.01 175.59 1wry h ALA 113 N 1.90 0.10 0.63 3.43 0.00 0.12 -3.35 119.26 122.09 1wry h ALA 113 Ca 0.67 -0.77 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1wry h ALA 113 Cb 1.52 0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.38 1wry h ALA 113 CO -0.75 0.76 -0.30 0.93 0.00 0.00 0.00 179.25 179.88 1wry h GLU 114 N 0.25 -0.82 -4.21 0.00 4.39 0.99 -3.26 114.58 111.92 1wry h GLU 114 Ca -0.15 0.06 -0.54 0.00 0.34 0.00 0.00 59.36 59.06 1wry h GLU 114 Cb 1.84 0.19 0.05 0.00 -0.10 0.00 0.00 28.75 30.72 1wry h GLU 114 CO 0.22 -0.55 2.26 1.55 -1.16 0.00 0.00 179.01 181.33 1wry n VAL 115 N -4.53 1.77 -3.62 3.13 3.14 0.47 -4.67 118.33 114.02 1wry n VAL 115 Ca -0.11 -1.37 -0.06 0.00 -2.96 0.00 0.00 64.34 59.85 1wry n VAL 115 Cb 0.33 -2.21 -0.05 0.00 -1.06 0.00 0.00 33.84 30.86 1wry n VAL 115 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1wry s SER 116 N 4.71 -0.18 0.00 6.55 0.15 -1.23 -4.86 113.70 118.84 1wry s SER 116 Ca 0.51 0.21 0.00 0.00 0.70 0.00 0.00 55.95 57.37 1wry s SER 116 Cb 0.13 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 1wry s SER 116 CO 0.09 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.98 1wry n GLY 117 N 0.74 1.90 2.33 9.45 0.00 -1.26 -5.01 105.19 113.34 1wry n GLY 117 Ca -0.05 -0.53 -0.21 0.00 0.00 0.00 0.00 46.02 45.23 1wry n GLY 117 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wry n PRO 118 N 0.00 2.24 -3.07 1.61 -0.04 -1.26 -4.43 135.00 130.05 1wry n PRO 118 Ca 0.00 -1.34 0.04 0.00 -0.04 0.00 0.00 63.50 62.15 1wry n PRO 118 Cb 0.00 -2.30 -0.00 0.00 -0.04 0.00 0.00 33.50 31.16 1wry n PRO 118 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wry s SER 119 N 2.62 -0.85 0.02 3.54 0.15 -1.26 -5.06 113.70 112.86 1wry s SER 119 Ca 0.51 -0.10 -0.29 0.00 0.70 0.00 0.00 55.95 56.77 1wry s SER 119 Cb 0.18 1.36 -0.16 0.00 -1.71 0.00 0.00 66.02 65.68 1wry s SER 119 CO -0.03 -0.13 1.22 0.28 1.20 0.00 0.00 173.24 175.78 1wry h SER 120 N 6.95 -0.89 0.00 5.45 0.02 -2.04 -3.49 113.55 119.56 1wry h SER 120 Ca -0.04 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1wry h SER 120 Cb 1.19 0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.96 1wry h SER 120 CO -0.00 -0.53 0.00 0.61 -1.14 0.00 0.00 176.83 175.77