#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 5.67 -0.29 1.61 0.15 -1.26 -5.10 113.70 114.47 1wry s SER 2 Ca 0.00 -0.00 0.01 0.00 0.70 0.00 0.00 55.95 56.66 1wry s SER 2 Cb 0.00 -1.15 0.19 0.00 -1.71 0.00 0.00 66.02 63.36 1wry s SER 2 CO 0.00 -0.79 0.69 -0.44 1.20 0.00 0.00 173.24 173.91 1wry s SER 3 N -4.29 -1.33 0.00 5.45 0.01 -1.26 -5.14 113.70 107.13 1wry s SER 3 Ca 0.51 0.26 0.00 0.00 1.31 0.00 0.00 55.95 58.03 1wry s SER 3 Cb -0.10 1.89 0.00 0.00 0.21 0.00 0.00 66.02 68.02 1wry s SER 3 CO 0.36 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.37 1wry n GLY 4 N 5.37 1.09 3.23 3.44 0.00 -1.26 -5.14 105.19 111.92 1wry n GLY 4 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.21 2.23 0.34 1.61 1.04 -1.26 -5.11 113.70 112.34 1wry s SER 5 Ca 0.00 -0.58 -0.28 0.00 0.48 0.00 0.00 55.95 55.57 1wry s SER 5 Cb 0.00 -0.14 -0.12 0.00 0.10 0.00 0.00 66.02 65.85 1wry s SER 5 CO 0.00 0.07 1.33 -1.20 0.98 0.00 0.00 173.24 174.42 1wry n SER 6 N 1.53 2.89 0.00 7.02 7.64 -1.26 -4.97 113.62 126.47 1wry n SER 6 Ca -0.19 1.20 0.00 0.00 1.01 0.00 0.00 58.87 60.90 1wry n SER 6 Cb 0.54 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.24 1wry n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wry n GLY 7 N 0.89 1.42 2.93 0.23 0.00 -1.26 -5.13 105.19 104.27 1wry n GLY 7 Ca 0.05 -0.35 -0.01 0.00 0.00 0.00 0.00 46.02 45.71 1wry n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1wry s MET 8 N -2.00 0.73 0.19 1.61 0.00 -1.26 -5.15 119.30 113.42 1wry s MET 8 Ca 0.00 -0.49 -0.15 0.00 0.00 0.00 0.00 55.69 55.05 1wry s MET 8 Cb 0.00 0.02 -0.07 0.00 0.00 0.00 0.00 34.83 34.78 1wry s MET 8 CO 0.00 -0.97 0.62 0.08 0.00 0.00 0.00 175.02 174.74 1wry s VAL 9 N 1.44 4.77 -0.34 5.16 1.01 -1.26 -4.94 120.40 126.24 1wry s VAL 9 Ca 0.21 0.94 -0.01 0.00 0.00 0.00 0.00 61.98 63.12 1wry s VAL 9 Cb 0.01 -3.75 0.07 0.00 0.00 0.00 0.00 36.38 32.71 1wry s VAL 9 CO -0.08 0.17 0.06 -0.63 0.00 0.00 0.00 175.10 174.62 1wry s ILE 10 N -1.56 2.96 -0.22 2.22 -1.09 -1.11 -1.76 121.20 120.63 1wry s ILE 10 Ca 0.42 -1.71 -0.10 0.00 -2.23 0.00 0.00 60.65 57.03 1wry s ILE 10 Cb -0.15 -2.86 -0.05 0.00 -1.58 0.00 0.00 42.46 37.83 1wry s ILE 10 CO 0.20 -0.34 0.13 -0.13 -1.23 0.00 0.00 174.94 173.57 1wry s ARG 11 N 1.17 4.05 -0.13 2.79 0.52 0.22 0.21 118.95 127.79 1wry s ARG 11 Ca 0.01 -0.28 -0.02 0.00 -0.52 0.00 0.00 55.73 54.91 1wry s ARG 11 Cb -0.21 -3.46 -0.03 0.00 0.52 0.00 0.00 34.95 31.78 1wry s ARG 11 CO -0.03 0.12 -0.05 0.08 0.02 0.00 0.00 175.30 175.44 1wry s VAL 12 N 0.87 3.82 -0.63 3.52 1.01 -0.06 -0.42 120.40 128.50 1wry s VAL 12 Ca 0.07 -0.40 -0.15 0.00 0.00 0.00 0.00 61.98 61.50 1wry s VAL 12 Cb -0.13 -2.64 0.16 0.00 0.00 0.00 0.00 36.38 33.77 1wry s VAL 12 CO 0.03 0.52 0.57 -0.31 0.00 0.00 0.00 175.10 175.91 1wry s TYR 13 N 0.08 3.43 0.45 5.22 1.51 0.35 0.11 117.35 128.50 1wry s TYR 13 Ca -0.01 -1.59 0.06 0.00 -1.01 0.00 0.00 57.07 54.52 1wry s TYR 13 Cb -0.14 -3.77 0.06 0.00 -0.11 0.00 0.00 41.96 38.00 1wry s TYR 13 CO 0.03 -1.00 0.48 0.44 -1.11 0.00 0.00 175.55 174.38 1wry n ILE 14 N 4.78 0.00 -3.28 2.71 -5.35 0.50 -2.84 119.36 115.88 1wry n ILE 14 Ca -0.04 -1.62 -0.25 0.00 -0.27 0.00 0.00 62.75 60.56 1wry n ILE 14 Cb 0.42 -0.37 -0.07 0.00 -1.74 0.00 0.00 39.64 37.88 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 3.36 -0.28 -1.28 0.00 -1.26 0.23 120.51 119.00 1wry n ALA 15 Ca -0.12 -4.15 0.18 0.00 0.00 0.00 0.00 53.44 49.34 1wry n ALA 15 Cb 0.48 -0.85 0.34 0.00 0.00 0.00 0.00 19.45 19.42 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 0.94 0.06 -2.27 0.00 2.88 -1.26 0.18 113.62 114.15 1wry n SER 16 Ca 0.26 1.41 -0.21 0.00 -1.33 0.00 0.00 58.87 59.00 1wry n SER 16 Cb 0.47 -0.58 -0.08 0.00 -0.75 0.00 0.00 64.21 63.27 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 -5.08 6.08 -4.66 -3.46 2.88 -1.26 -4.91 113.62 103.22 1wry n SER 17 Ca 0.24 -2.96 -0.24 0.00 -1.33 0.00 0.00 58.87 54.58 1wry n SER 17 Cb 0.81 -1.27 0.11 0.00 -0.75 0.00 0.00 64.21 63.12 1wry n SER 17 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wry s SER 18 N 0.86 4.29 0.01 -3.46 0.01 0.49 -4.91 113.70 110.99 1wry s SER 18 Ca 0.57 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 57.42 1wry s SER 18 Cb 0.34 0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.65 1wry s SER 18 CO -0.13 -1.91 0.00 0.61 0.41 0.00 0.00 173.24 172.21 1wry n GLY 19 N -2.86 -0.01 3.56 3.44 0.00 -1.26 -5.01 105.19 103.06 1wry n GLY 19 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.73 1wry n GLY 19 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wry n SER 20 N -2.87 2.98 -0.27 1.61 7.64 -1.26 -4.82 113.62 116.63 1wry n SER 20 Ca 0.00 0.22 0.08 0.00 1.01 0.00 0.00 58.87 60.18 1wry n SER 20 Cb 0.32 -1.49 0.22 0.00 -1.01 0.00 0.00 64.21 62.25 1wry n SER 20 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1wry h THR 21 N 7.17 0.45 -0.67 0.44 2.02 -2.00 -0.12 112.91 120.21 1wry h THR 21 Ca -0.37 -0.09 0.09 0.00 0.77 0.00 0.00 66.41 66.81 1wry h THR 21 Cb 1.26 0.16 -0.11 0.00 -1.74 0.00 0.00 68.15 67.71 1wry h THR 21 CO 0.98 0.05 -0.45 0.00 0.37 0.00 0.00 175.52 176.47 1wry h ALA 22 N 1.67 -0.30 0.03 6.16 0.00 -1.99 0.89 119.26 125.72 1wry h ALA 22 Ca 0.47 0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.52 1wry h ALA 22 Cb 0.85 1.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.60 1wry h ALA 22 CO -0.55 -0.82 -0.50 0.82 0.00 0.00 0.00 179.25 178.19 1wry h ILE 23 N -0.18 0.00 -0.91 0.00 2.04 -1.36 0.66 117.51 117.76 1wry h ILE 23 Ca 0.19 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.14 1wry h ILE 23 Cb 0.55 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.52 1wry h ILE 23 CO -0.75 0.00 -0.54 0.29 0.00 0.00 0.00 178.15 177.15 1wry n LYS 24 N -5.28 -0.40 0.23 2.37 5.02 -0.21 0.18 118.16 120.07 1wry n LYS 24 Ca -0.07 1.44 -0.16 0.00 -2.02 0.00 0.00 58.31 57.50 1wry n LYS 24 Cb 0.38 -2.13 -0.09 0.00 -0.02 0.00 0.00 35.03 33.17 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 -0.82 -0.72 1.97 3.64 -0.22 0.47 116.57 120.89 1wry h LYS 25 Ca 0.15 0.06 0.09 0.00 -1.27 0.00 0.00 60.65 59.67 1wry h LYS 25 Cb 0.38 0.19 -0.11 0.00 -0.41 0.00 0.00 32.23 32.27 1wry h LYS 25 CO -0.86 -0.55 -0.51 0.87 -2.27 0.00 0.00 179.45 176.13 1wry h LYS 26 N -0.85 -0.17 -0.42 1.90 1.57 0.23 1.16 116.57 119.99 1wry h LYS 26 Ca -0.05 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.83 1wry h LYS 26 Cb 0.76 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 33.03 1wry h LYS 26 CO -0.10 -0.11 -0.06 1.96 -0.57 0.00 0.00 179.45 180.56 1wry h GLN 27 N -0.17 0.04 0.00 3.15 4.20 0.23 0.50 115.11 123.05 1wry h GLN 27 Ca 0.17 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 1wry h GLN 27 Cb 0.53 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.30 1wry h GLN 27 CO -0.78 0.03 -0.03 1.96 -0.67 0.00 0.00 178.83 179.33 1wry h GLN 28 N 0.04 0.00 0.03 1.46 4.20 0.35 0.30 115.11 121.49 1wry h GLN 28 Ca 0.21 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.69 1wry h GLN 28 Cb 0.31 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 1wry h GLN 28 CO -0.40 0.03 -0.97 0.22 -0.67 0.00 0.00 178.83 177.03 1wry h ASP 29 N 0.00 0.36 0.69 1.46 3.58 0.60 0.70 116.42 123.81 1wry h ASP 29 Ca -0.00 -0.32 -0.26 0.00 0.42 0.00 0.00 57.03 56.87 1wry h ASP 29 Cb 0.18 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 1wry h ASP 29 CO 0.00 1.14 -1.27 0.58 -2.88 0.00 0.00 179.24 176.82 1wry h VAL 30 N 0.13 1.44 0.02 2.25 2.07 0.56 -2.83 116.25 119.90 1wry h VAL 30 Ca -0.07 -3.08 -0.00 0.00 0.82 0.00 0.00 66.70 64.36 1wry h VAL 30 Cb 1.63 2.84 0.00 0.00 -1.52 0.00 0.00 31.29 34.24 1wry h VAL 30 CO 0.16 0.87 -0.01 -0.07 0.02 0.00 0.00 177.57 178.54 1wry h LEU 31 N 0.05 -0.02 -1.07 2.57 3.38 -0.48 -2.94 115.31 116.79 1wry h LEU 31 Ca -0.13 -0.62 0.19 0.00 0.09 0.00 0.00 57.88 57.41 1wry h LEU 31 Cb 1.93 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 42.58 1wry h LEU 31 CO 0.17 0.77 0.61 1.23 0.09 0.00 0.00 178.44 181.31 1wry h GLY 32 N -0.97 1.67 0.83 0.83 0.00 0.28 0.13 103.07 105.84 1wry h GLY 32 Ca -0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 1wry h GLY 32 CO 0.00 -0.05 -0.16 -2.75 0.00 0.00 0.00 176.54 173.59 1wry h PHE 33 N 0.72 -0.41 0.00 5.60 3.04 -1.59 0.53 116.94 124.84 1wry h PHE 33 Ca 0.57 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.51 1wry h PHE 33 Cb 0.93 0.13 -0.00 0.00 2.56 0.00 0.00 35.95 39.58 1wry h PHE 33 CO -0.00 -0.15 -0.00 -0.07 -2.02 0.00 0.00 178.31 176.07 1wry h LEU 34 N -0.61 0.00 0.13 0.59 3.38 -1.10 0.47 115.31 118.17 1wry h LEU 34 Ca -0.04 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.68 1wry h LEU 34 Cb 0.44 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.20 1wry h LEU 34 CO 0.07 0.00 -1.17 -0.33 0.09 0.00 0.00 178.44 177.11 1wry h GLU 35 N 0.00 0.28 0.00 1.13 5.08 -0.12 0.89 114.58 121.84 1wry h GLU 35 Ca -0.00 -0.47 -0.09 0.00 -1.00 0.00 0.00 59.36 57.80 1wry h GLU 35 Cb 0.03 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1wry h GLU 35 CO 0.00 1.23 -0.41 0.00 -1.00 0.00 0.00 179.01 178.82 1wry h ALA 36 N 0.01 1.13 -0.15 3.43 0.00 0.11 -1.56 119.26 122.24 1wry h ALA 36 Ca -0.24 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1wry h ALA 36 Cb 1.73 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1wry h ALA 36 CO 0.10 0.52 0.00 0.09 0.00 0.00 0.00 179.25 179.96 1wry n ASN 37 N -3.78 1.70 -3.95 0.00 3.02 0.15 -4.92 115.26 107.47 1wry n ASN 37 Ca -0.01 -1.69 -0.27 0.00 -0.03 0.00 0.00 54.58 52.58 1wry n ASN 37 Cb 0.48 -0.09 -0.02 0.00 -0.61 0.00 0.00 39.78 39.54 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 0.34 -2.85 -3.51 3.52 4.76 -0.59 -4.93 118.16 114.90 1wry n LYS 38 Ca 0.17 0.38 -0.32 0.00 -2.87 0.00 0.00 58.31 55.67 1wry n LYS 38 Cb 0.34 -4.37 -0.05 0.00 -1.84 0.00 0.00 35.03 29.11 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 -3.93 5.02 -1.33 -0.18 1.01 0.31 -5.00 121.20 117.11 1wry s ILE 39 Ca 0.06 0.30 -0.11 0.00 0.00 0.00 0.00 60.65 60.90 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 0.90 -0.03 1.93 0.61 0.00 0.00 0.00 174.94 178.35 1wry n GLY 40 N -0.05 4.47 3.94 6.18 0.00 -1.26 -4.77 105.19 113.70 1wry n GLY 40 Ca -0.01 -1.93 -0.23 0.00 0.00 0.00 0.00 46.02 43.86 1wry n GLY 40 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1wry s PHE 41 N 1.41 1.85 0.08 1.61 -0.71 -1.26 -2.76 117.98 118.19 1wry s PHE 41 Ca 0.42 -0.71 0.04 0.00 -1.04 0.00 0.00 56.93 55.64 1wry s PHE 41 Cb 0.10 -2.08 -0.03 0.00 -1.21 0.00 0.00 43.02 39.80 1wry s PHE 41 CO -0.02 -0.60 -0.12 -1.21 -1.34 0.00 0.00 175.22 171.93 1wry s GLU 42 N -4.36 0.79 -0.36 1.99 0.41 0.58 -4.85 118.70 112.90 1wry s GLU 42 Ca 0.46 -0.98 -0.11 0.00 -0.41 0.00 0.00 54.97 53.93 1wry s GLU 42 Cb -0.04 -0.68 0.02 0.00 -1.78 0.00 0.00 34.13 31.65 1wry s GLU 42 CO 0.28 0.14 0.20 -1.21 -0.49 0.00 0.00 175.26 174.18 1wry s GLU 43 N -1.99 3.01 -0.25 1.61 2.02 -1.26 -0.88 118.70 120.95 1wry s GLU 43 Ca -0.01 -0.95 -0.04 0.00 0.02 0.00 0.00 54.97 53.99 1wry s GLU 43 Cb -0.08 -3.70 0.01 0.00 0.10 0.00 0.00 34.13 30.45 1wry s GLU 43 CO 0.02 -0.61 -0.02 0.15 0.02 0.00 0.00 175.26 174.82 1wry s LYS 44 N 1.59 3.09 -0.26 1.61 -0.14 0.29 -4.95 119.74 120.97 1wry s LYS 44 Ca 0.03 -0.82 -0.19 0.00 -1.36 0.00 0.00 55.97 53.63 1wry s LYS 44 Cb -0.18 -3.09 -0.02 0.00 -1.68 0.00 0.00 37.83 32.85 1wry s LYS 44 CO 0.07 -0.34 0.58 0.34 -0.76 0.00 0.00 175.35 175.24 1wry s ASP 45 N 1.42 6.51 0.02 2.83 2.15 -1.26 0.19 116.67 128.54 1wry s ASP 45 Ca 0.03 0.62 0.14 0.00 0.43 0.00 0.00 52.55 53.77 1wry s ASP 45 Cb -0.16 -2.31 -0.18 0.00 -0.30 0.00 0.00 42.92 39.97 1wry s ASP 45 CO -0.02 -0.33 0.80 0.16 -0.17 0.00 0.00 175.17 175.60 1wry h ILE 46 N 5.40 0.77 0.17 4.11 3.07 0.27 -3.32 117.51 127.98 1wry h ILE 46 Ca -0.28 -2.46 -0.01 0.00 1.55 0.00 0.00 64.86 63.67 1wry h ILE 46 Cb 1.13 2.30 -0.01 0.00 -0.27 0.00 0.00 36.82 39.97 1wry h ILE 46 CO 0.75 0.44 -0.16 0.00 -1.05 0.00 0.00 178.15 178.13 1wry h ALA 47 N 1.18 -0.90 -0.77 0.16 0.00 -1.86 -2.92 119.26 114.15 1wry h ALA 47 Ca -0.21 -0.06 -0.71 0.00 0.00 0.00 0.00 54.91 53.93 1wry h ALA 47 Cb 1.81 0.38 -0.18 0.00 0.00 0.00 0.00 17.79 19.80 1wry h ALA 47 CO 0.07 -0.90 1.59 0.00 0.00 0.00 0.00 179.25 180.01 1wry n ALA 48 N -2.40 6.57 0.00 0.00 0.00 -1.26 -4.14 120.51 119.27 1wry n ALA 48 Ca -0.04 -3.97 0.00 0.00 0.00 0.00 0.00 53.44 49.43 1wry n ALA 48 Cb 0.14 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.14 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 1.00 0.00 -0.32 0.00 5.15 -1.11 -4.95 115.26 115.03 1wry n ASN 49 Ca 0.56 0.00 0.09 0.00 -0.60 0.00 0.00 54.58 54.62 1wry n ASN 49 Cb 0.31 0.00 0.18 0.00 -0.53 0.00 0.00 39.78 39.74 1wry n ASN 49 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1wry n GLU 50 N 0.00 -0.08 -0.30 1.20 1.02 -1.17 0.10 120.64 121.42 1wry n GLU 50 Ca 0.00 1.38 -0.01 0.00 -0.02 0.00 0.00 57.16 58.51 1wry n GLU 50 Cb 0.00 -2.10 0.06 0.00 -0.02 0.00 0.00 31.44 29.37 1wry n GLU 50 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1wry h GLU 51 N 0.00 -0.05 -0.61 3.49 4.11 -1.95 1.70 114.58 121.28 1wry h GLU 51 Ca 0.47 0.00 0.10 0.00 0.07 0.00 0.00 59.36 60.01 1wry h GLU 51 Cb 0.84 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.02 1wry h GLU 51 CO -0.89 -0.03 0.19 -0.91 0.07 0.00 0.00 179.01 177.44 1wry h ASN 52 N -0.05 0.14 -0.45 3.06 4.21 0.39 0.33 115.58 123.22 1wry h ASN 52 Ca 0.34 0.09 -0.11 0.00 1.21 0.00 0.00 56.30 57.83 1wry h ASN 52 Cb 0.59 0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 37.88 1wry h ASN 52 CO -0.85 0.08 -0.16 -0.09 -1.29 0.00 0.00 177.43 175.12 1wry h ARG 53 N 0.35 0.89 0.55 0.81 2.43 0.70 0.86 114.38 120.97 1wry h ARG 53 Ca 0.31 -0.37 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 1wry h ARG 53 Cb 0.42 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1wry h ARG 53 CO -0.34 1.01 -0.40 -0.22 -1.51 0.00 0.00 179.97 178.51 1wry h LYS 54 N 0.73 -0.88 0.39 0.20 3.64 0.37 1.50 116.57 122.51 1wry h LYS 54 Ca 0.11 0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1wry h LYS 54 Cb 0.71 0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.71 1wry h LYS 54 CO 0.05 -0.59 -0.44 2.35 -2.27 0.00 0.00 179.45 178.56 1wry h TRP 55 N -0.91 -1.21 -0.72 1.91 7.01 -0.45 -1.14 115.95 120.43 1wry h TRP 55 Ca -0.07 0.01 0.14 0.00 2.11 0.00 0.00 58.89 61.08 1wry h TRP 55 Cb 0.75 0.48 -0.14 0.00 -2.10 0.00 0.00 29.16 28.16 1wry h TRP 55 CO -0.12 -0.57 -0.21 1.98 -2.79 0.00 0.00 178.44 176.73 1wry h MET 56 N -0.83 -0.02 -0.67 2.65 4.05 -0.76 0.31 114.93 119.65 1wry h MET 56 Ca -0.05 0.00 0.14 0.00 -0.28 0.00 0.00 59.70 59.52 1wry h MET 56 Cb 0.73 0.00 -0.10 0.00 -0.80 0.00 0.00 31.60 31.43 1wry h MET 56 CO -0.08 -0.01 0.10 0.00 0.23 0.00 0.00 176.91 177.15 1wry h ARG 57 N -0.02 0.20 -0.17 0.39 3.08 0.27 0.56 114.38 118.68 1wry h ARG 57 Ca 0.34 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1wry h ARG 57 Cb 0.54 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 1wry h ARG 57 CO -0.75 0.13 0.11 0.93 -1.07 0.00 0.00 179.97 179.32 1wry h GLU 58 N 0.21 0.23 0.70 0.04 4.39 0.79 -3.06 114.58 117.87 1wry h GLU 58 Ca 0.37 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 60.02 1wry h GLU 58 Cb 0.60 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1wry h GLU 58 CO -0.50 0.17 -0.42 -0.91 -1.16 0.00 0.00 179.01 176.18 1wry h ASN 59 N 0.22 -1.07 -0.92 1.42 2.35 0.50 -3.42 115.58 114.66 1wry h ASN 59 Ca 0.06 0.06 -0.79 0.00 -0.55 0.00 0.00 56.30 55.08 1wry h ASN 59 Cb -0.00 0.31 0.02 0.00 0.05 0.00 0.00 38.32 38.69 1wry h ASN 59 CO -0.01 -0.66 0.48 0.52 -1.65 0.00 0.00 177.43 176.11 1wry n VAL 60 N -5.57 0.00 -2.52 2.81 0.31 0.18 -4.85 118.33 108.68 1wry n VAL 60 Ca -0.14 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.85 1wry n VAL 60 Cb 0.45 -0.34 -0.03 0.00 -0.91 0.00 0.00 33.84 33.00 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 2.04 3.78 0.24 5.55 0.04 -1.26 -4.83 135.00 140.56 1wry s PRO 61 Ca 0.93 1.35 -0.06 0.00 0.04 0.00 0.00 61.00 63.26 1wry s PRO 61 Cb -1.32 -2.09 0.30 0.00 0.04 0.00 0.00 34.50 31.42 1wry s PRO 61 CO 0.69 -0.45 1.87 1.49 0.04 0.00 0.00 177.00 180.65 1wry h GLU 62 N 1.51 1.04 0.00 4.56 4.81 -1.93 0.65 114.58 125.22 1wry h GLU 62 Ca -0.49 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 58.67 1wry h GLU 62 Cb 1.22 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.37 1wry h GLU 62 CO 0.59 0.69 -0.00 -0.91 -0.73 0.00 0.00 179.01 178.65 1wry h ASN 63 N 1.07 0.00 0.19 1.04 4.21 -1.99 0.15 115.58 120.25 1wry h ASN 63 Ca 0.36 0.00 -0.20 0.00 1.21 0.00 0.00 56.30 57.67 1wry h ASN 63 Cb 0.06 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.22 1wry h ASN 63 CO -0.14 0.00 -2.00 -1.20 -1.29 0.00 0.00 177.43 172.80 1wry n SER 64 N -3.41 0.23 -4.53 5.81 7.64 0.64 -4.97 113.62 115.02 1wry n SER 64 Ca -0.03 0.10 -0.33 0.00 1.01 0.00 0.00 58.87 59.63 1wry n SER 64 Cb 0.08 1.08 0.13 0.00 -1.01 0.00 0.00 64.21 64.49 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 -2.63 -0.23 -1.56 1.43 1.74 0.20 -4.96 116.66 110.65 1wry n ARG 65 Ca -0.18 -0.01 -0.30 0.00 -0.77 0.00 0.00 57.85 56.59 1wry n ARG 65 Cb 0.89 -2.09 0.09 0.00 -1.02 0.00 0.00 32.46 30.33 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 -3.92 2.18 0.57 5.56 0.04 -1.26 -4.86 135.00 133.31 1wry s PRO 66 Ca 0.63 0.67 0.41 0.00 0.04 0.00 0.00 61.00 62.75 1wry s PRO 66 Cb -0.24 -1.93 1.50 0.00 0.04 0.00 0.00 34.50 33.87 1wry s PRO 66 CO 0.62 -1.56 1.56 0.00 0.04 0.00 0.00 177.00 177.66 1wry h ALA 67 N -1.05 3.45 -1.37 8.56 0.00 -1.95 -3.39 119.26 123.50 1wry h ALA 67 Ca -0.47 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 54.51 1wry h ALA 67 Cb 1.26 0.12 -0.29 0.00 0.00 0.00 0.00 17.79 18.88 1wry h ALA 67 CO 0.59 -2.03 0.64 -0.08 0.00 0.00 0.00 179.25 178.38 1wry s THR 68 N -4.76 0.00 0.00 0.00 -1.32 -1.26 -5.16 115.64 103.14 1wry s THR 68 Ca -0.04 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.44 1wry s THR 68 Cb 0.22 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.21 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 1.82 -0.43 3.65 6.08 0.00 -1.26 -4.98 105.19 110.07 1wry n GLY 69 Ca -0.11 -1.79 -0.30 0.00 0.00 0.00 0.00 46.02 43.82 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 -1.36 1.69 -0.27 1.61 2.02 -1.26 -4.16 117.35 115.62 1wry s TYR 70 Ca 0.00 1.63 -0.29 0.00 -0.37 0.00 0.00 57.07 58.04 1wry s TYR 70 Cb 0.00 -3.26 -0.00 0.00 -0.40 0.00 0.00 41.96 38.30 1wry s TYR 70 CO 0.00 -2.91 1.33 -1.25 -1.57 0.00 0.00 175.55 171.16 1wry s PRO 71 N -4.65 3.96 0.47 -1.71 0.04 -1.26 -4.60 135.00 127.25 1wry s PRO 71 Ca 0.66 1.37 -0.20 0.00 0.04 0.00 0.00 61.00 62.87 1wry s PRO 71 Cb -0.22 -3.88 -0.09 0.00 0.04 0.00 0.00 34.50 30.34 1wry s PRO 71 CO 0.59 -1.07 1.00 -0.51 0.04 0.00 0.00 177.00 177.05 1wry s LEU 72 N 4.31 3.87 0.85 -3.56 1.43 -1.26 -4.98 118.68 119.34 1wry s LEU 72 Ca 0.58 1.81 -0.12 0.00 -1.03 0.00 0.00 54.13 55.37 1wry s LEU 72 Cb -0.19 -4.55 0.10 0.00 0.03 0.00 0.00 46.19 41.59 1wry s LEU 72 CO 0.22 -0.60 1.12 -2.16 0.23 0.00 0.00 176.35 175.16 1wry s PRO 73 N -3.26 1.62 0.60 1.29 0.04 -1.26 -4.54 135.00 129.49 1wry s PRO 73 Ca 0.65 0.47 -0.15 0.00 0.04 0.00 0.00 61.00 62.01 1wry s PRO 73 Cb -0.13 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 1wry s PRO 73 CO 0.18 -1.91 1.05 -1.25 0.04 0.00 0.00 177.00 175.11 1wry s PRO 74 N -5.21 3.32 -0.22 0.56 0.04 -1.26 -4.86 135.00 127.36 1wry s PRO 74 Ca 0.62 1.13 -0.00 0.00 0.04 0.00 0.00 61.00 62.79 1wry s PRO 74 Cb -0.15 -2.04 0.06 0.00 0.04 0.00 0.00 34.50 32.42 1wry s PRO 74 CO 0.54 -0.80 -0.03 -0.65 0.04 0.00 0.00 177.00 176.09 1wry s GLN 75 N -4.25 1.36 0.14 4.56 -1.52 -1.13 -3.51 119.66 115.31 1wry s GLN 75 Ca 0.62 -0.80 -0.30 0.00 -1.95 0.00 0.00 55.36 52.93 1wry s GLN 75 Cb -0.15 -2.41 -0.07 0.00 -0.22 0.00 0.00 33.01 30.16 1wry s GLN 75 CO 0.40 -0.59 1.00 0.42 -0.25 0.00 0.00 175.29 176.26 1wry s ILE 76 N 1.54 4.28 -0.09 1.08 1.09 -0.68 -0.49 121.20 127.93 1wry s ILE 76 Ca -0.04 1.95 -0.04 0.00 -1.10 0.00 0.00 60.65 61.42 1wry s ILE 76 Cb -0.18 -4.25 0.04 0.00 -1.06 0.00 0.00 42.46 37.02 1wry s ILE 76 CO -0.07 0.33 0.21 -0.36 -0.10 0.00 0.00 174.94 174.94 1wry s PHE 77 N -0.19 -0.26 -0.64 3.97 0.08 0.44 -3.38 117.98 118.00 1wry s PHE 77 Ca 0.47 0.67 -0.19 0.00 0.12 0.00 0.00 56.93 58.00 1wry s PHE 77 Cb -0.25 -0.01 0.11 0.00 -0.57 0.00 0.00 43.02 42.30 1wry s PHE 77 CO 0.31 -0.21 0.77 1.21 -0.10 0.00 0.00 175.22 177.20 1wry s ASN 78 N 1.24 6.25 0.00 1.36 3.84 0.34 0.73 114.94 128.70 1wry s ASN 78 Ca -0.09 -1.51 0.00 0.00 0.21 0.00 0.00 52.86 51.46 1wry s ASN 78 Cb -0.11 -2.32 0.00 0.00 -0.55 0.00 0.00 41.25 38.28 1wry s ASN 78 CO -0.08 -1.11 0.00 -0.62 -2.79 0.00 0.00 177.10 172.50 1wry n GLU 79 N 6.34 0.00 0.00 0.43 1.02 -0.72 0.16 120.64 127.87 1wry n GLU 79 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1wry n GLU 79 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.85 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 1.21 0.66 -4.79 1.62 3.41 -1.26 -4.86 113.62 109.61 1wry n SER 80 Ca 0.00 -1.22 -0.22 0.00 -0.26 0.00 0.00 58.87 57.17 1wry n SER 80 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 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 -0.22 2.58 0.01 4.33 -1.52 0.43 -5.05 119.66 120.22 1wry s GLN 81 Ca 0.00 -1.38 0.03 0.00 -1.95 0.00 0.00 55.36 52.05 1wry s GLN 81 Cb 0.00 -2.35 -0.04 0.00 -0.22 0.00 0.00 33.01 30.41 1wry s GLN 81 CO 0.00 0.14 -0.03 -0.47 -0.25 0.00 0.00 175.29 174.68 1wry s TYR 82 N -2.34 2.98 -0.03 0.91 6.14 -1.26 0.13 117.35 123.87 1wry s TYR 82 Ca 0.39 0.02 -0.03 0.00 0.64 0.00 0.00 57.07 58.08 1wry s TYR 82 Cb -0.05 -1.63 -0.02 0.00 0.42 0.00 0.00 41.96 40.68 1wry s TYR 82 CO 0.25 0.42 -0.08 0.54 0.64 0.00 0.00 175.55 177.32 1wry n ARG 83 N 1.38 0.13 -3.52 4.97 5.12 -1.22 -4.83 116.66 118.70 1wry n ARG 83 Ca -0.15 0.05 0.00 0.00 -1.93 0.00 0.00 57.85 55.83 1wry n ARG 83 Cb 0.53 -0.71 0.00 0.00 -1.16 0.00 0.00 32.46 31.11 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 2.74 -1.03 3.19 -0.13 0.00 -1.25 -5.03 105.19 103.68 1wry n GLY 84 Ca -0.10 -0.97 -0.27 0.00 0.00 0.00 0.00 46.02 44.69 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 0.99 3.07 -0.47 1.61 5.75 -1.26 -1.68 116.55 124.56 1wry n ASP 85 Ca 0.00 -2.87 0.38 0.00 -0.01 0.00 0.00 54.79 52.29 1wry n ASP 85 Cb 0.00 0.23 0.67 0.00 -1.03 0.00 0.00 41.12 40.99 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 1.10 0.44 0.56 2.11 5.03 -1.92 0.67 116.97 124.94 1wry h TYR 86 Ca -0.35 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 60.95 1wry h TYR 86 Cb 1.11 -0.11 0.01 0.00 1.55 0.00 0.00 36.73 39.29 1wry h TYR 86 CO 0.00 -0.16 -0.27 -0.44 -1.32 0.00 0.00 178.16 175.97 1wry h ASP 87 N 0.08 -0.63 -0.48 -2.11 3.32 -1.94 0.10 116.42 114.76 1wry h ASP 87 Ca 0.81 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.83 1wry h ASP 87 Cb 2.67 0.16 -0.03 0.00 0.22 0.00 0.00 39.33 42.36 1wry h ASP 87 CO -0.34 -0.42 0.21 0.00 -1.72 0.00 0.00 179.24 176.97 1wry h ALA 88 N -0.38 1.38 -0.20 3.45 0.00 -0.24 -1.19 119.26 122.09 1wry h ALA 88 Ca -0.08 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1wry h ALA 88 Cb 0.60 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1wry h ALA 88 CO 0.13 0.47 0.09 0.35 0.00 0.00 0.00 179.25 180.28 1wry h PHE 89 N 0.75 0.16 0.15 0.00 3.57 -0.00 0.21 116.94 121.78 1wry h PHE 89 Ca 0.18 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1wry h PHE 89 Cb 0.15 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.85 1wry h PHE 89 CO 0.01 0.09 -0.07 0.35 -2.23 0.00 0.00 178.31 176.46 1wry h PHE 90 N 0.19 -0.18 -0.21 0.41 3.57 -0.38 -1.19 116.94 119.14 1wry h PHE 90 Ca 0.08 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.63 1wry h PHE 90 Cb 0.03 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 38.78 1wry h PHE 90 CO -0.10 0.06 -0.14 1.49 -2.23 0.00 0.00 178.31 177.39 1wry h GLU 91 N -0.41 -0.13 0.00 1.11 4.81 -1.10 0.60 114.58 119.47 1wry h GLU 91 Ca -0.02 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1wry h GLU 91 Cb 0.32 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 1wry h GLU 91 CO 0.03 -0.08 -0.00 0.00 -0.73 0.00 0.00 179.01 178.22 1wry h ALA 92 N 1.02 1.32 0.03 2.92 0.00 -0.53 0.10 119.26 124.12 1wry h ALA 92 Ca 0.12 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1wry h ALA 92 Cb 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1wry h ALA 92 CO -0.30 0.01 -0.01 -0.09 0.00 0.00 0.00 179.25 178.86 1wry h ARG 93 N 0.00 -0.04 -0.80 0.00 2.43 0.95 1.56 114.38 118.48 1wry h ARG 93 Ca -0.00 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.31 1wry h ARG 93 Cb 0.02 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.52 1wry h ARG 93 CO 0.00 0.31 0.53 0.93 -1.51 0.00 0.00 179.97 180.23 1wry h GLU 94 N -1.00 0.52 -0.42 0.20 4.39 0.38 1.11 114.58 119.76 1wry h GLU 94 Ca -0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1wry h GLU 94 Cb 0.36 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1wry h GLU 94 CO 0.01 0.34 0.00 0.09 -1.16 0.00 0.00 179.01 178.29 1wry n ASN 95 N -4.51 1.83 -3.99 1.42 3.02 -0.01 -4.91 115.26 108.10 1wry n ASN 95 Ca 0.15 -2.09 -0.40 0.00 -0.03 0.00 0.00 54.58 52.22 1wry n ASN 95 Cb 0.49 -0.28 0.01 0.00 -0.61 0.00 0.00 39.78 39.39 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 0.30 -4.36 -0.72 6.41 3.02 0.38 -4.83 115.26 115.47 1wry n ASN 96 Ca 0.10 -1.20 -0.01 0.00 -0.03 0.00 0.00 54.58 53.44 1wry n ASN 96 Cb 0.33 -1.61 -0.01 0.00 -0.61 0.00 0.00 39.78 37.88 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 -4.23 2.36 0.31 5.41 0.00 0.50 -4.37 120.51 120.50 1wry n ALA 97 Ca -0.19 -0.71 -0.18 0.00 0.00 0.00 0.00 53.44 52.36 1wry n ALA 97 Cb 0.61 -0.30 -0.09 0.00 0.00 0.00 0.00 19.45 19.67 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 5.83 0.09 -0.92 0.00 2.07 -0.94 0.20 116.25 122.58 1wry h VAL 98 Ca -0.13 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.64 1wry h VAL 98 Cb 1.30 0.09 -0.16 0.00 -1.52 0.00 0.00 31.29 31.00 1wry h VAL 98 CO -0.04 0.00 0.14 1.88 0.02 0.00 0.00 177.57 179.57 1wry h TYR 99 N -0.98 0.17 -0.38 1.57 0.05 -1.90 1.50 116.97 117.00 1wry h TYR 99 Ca -0.06 0.06 -0.11 0.00 0.05 0.00 0.00 58.73 58.67 1wry h TYR 99 Cb 0.84 0.07 -0.02 0.00 1.01 0.00 0.00 36.73 38.63 1wry h TYR 99 CO -0.20 -0.32 -0.19 0.00 -1.05 0.00 0.00 178.16 176.39 1wry h ALA 100 N 1.87 0.94 0.00 3.88 0.00 -1.60 0.82 119.26 125.17 1wry h ALA 100 Ca 0.57 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1wry h ALA 100 Cb 1.19 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1wry h ALA 100 CO -0.77 0.61 0.00 0.34 0.00 0.00 0.00 179.25 179.43 1wry n PHE 101 N -4.13 0.36 0.35 0.00 7.35 0.47 -1.90 117.46 119.96 1wry n PHE 101 Ca 0.00 0.13 0.05 0.00 -0.76 0.00 0.00 57.45 56.88 1wry n PHE 101 Cb 0.41 -0.71 0.06 0.00 0.35 0.00 0.00 39.48 39.59 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 -1.82 2.08 -1.09 -2.13 4.77 0.15 -4.83 117.00 114.14 1wry n LEU 102 Ca 0.04 -1.17 -0.14 0.00 -0.03 0.00 0.00 56.01 54.71 1wry n LEU 102 Cb 0.25 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.24 1wry n LEU 102 CO 0.20 0.42 -0.14 0.61 -1.33 0.00 0.00 177.39 177.16 1wry n GLY 103 N 0.59 1.47 1.93 -0.72 0.00 0.05 -4.94 105.19 103.57 1wry n GLY 103 Ca 0.07 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.61 0.00 -4.62 0.99 4.77 0.26 -4.97 117.00 111.82 1wry n LEU 104 Ca -0.14 -1.03 -0.31 0.00 -0.03 0.00 0.00 56.01 54.50 1wry n LEU 104 Cb 0.47 -0.33 -0.09 0.00 -2.33 0.00 0.00 43.42 41.14 1wry n LEU 104 CO 0.22 -0.75 -0.38 -0.89 -1.33 0.00 0.00 177.39 174.25 1wry s THR 105 N -1.46 3.70 0.09 -5.08 2.01 -1.26 -4.39 115.64 109.24 1wry s THR 105 Ca 0.33 -0.97 0.02 0.00 0.31 0.00 0.00 61.69 61.38 1wry s THR 105 Cb -0.02 -2.69 -0.04 0.00 0.01 0.00 0.00 72.50 69.76 1wry s THR 105 CO 0.22 0.23 0.13 0.00 -0.69 0.00 0.00 174.62 174.51 1wry s ALA 106 N -1.16 3.71 0.49 7.40 0.00 -1.26 -4.97 121.76 125.98 1wry s ALA 106 Ca 0.21 -0.99 -0.20 0.00 0.00 0.00 0.00 51.96 50.98 1wry s ALA 106 Cb -0.11 -1.55 -0.08 0.00 0.00 0.00 0.00 23.12 21.37 1wry s ALA 106 CO 0.13 0.73 1.04 -1.25 0.00 0.00 0.00 175.76 176.41 1wry s PRO 107 N -2.55 3.77 -0.39 0.00 0.04 -1.26 -4.95 135.00 129.66 1wry s PRO 107 Ca 0.31 1.34 -0.29 0.00 0.04 0.00 0.00 61.00 62.41 1wry s PRO 107 Cb -0.12 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.34 1wry s PRO 107 CO 0.24 -0.46 1.40 -1.25 0.04 0.00 0.00 177.00 176.97 1wry s PRO 108 N -3.31 3.63 0.00 0.56 0.04 -1.26 -2.51 135.00 132.16 1wry s PRO 108 Ca 0.67 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.71 1wry s PRO 108 Cb -0.16 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 30.38 1wry s PRO 108 CO 0.21 -1.49 0.00 0.41 0.04 0.00 0.00 177.00 176.18 1wry n GLY 109 N 4.94 2.00 3.81 0.56 0.00 -1.26 -5.10 105.19 110.14 1wry n GLY 109 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.84 5.34 0.14 1.61 0.01 -1.04 -4.62 113.70 113.31 1wry s SER 110 Ca 0.00 1.66 -0.31 0.00 1.31 0.00 0.00 55.95 58.60 1wry s SER 110 Cb 0.00 -2.50 -0.08 0.00 0.21 0.00 0.00 66.02 63.65 1wry s SER 110 CO 0.00 -1.47 1.55 0.50 0.41 0.00 0.00 173.24 174.23 1wry h LYS 111 N -0.63 -0.32 -0.61 12.44 1.63 -1.91 1.54 116.57 128.71 1wry h LYS 111 Ca -0.44 0.02 0.18 0.00 -0.85 0.00 0.00 60.65 59.56 1wry h LYS 111 Cb 1.21 0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.89 1wry h LYS 111 CO 0.56 -0.21 0.94 0.93 -3.45 0.00 0.00 179.45 178.22 1wry h GLU 112 N -0.33 0.00 0.01 1.90 4.39 -1.76 2.69 114.58 121.48 1wry h GLU 112 Ca 0.10 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.52 1wry h GLU 112 Cb 0.57 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.19 1wry h GLU 112 CO -0.64 0.00 -1.53 0.00 -1.16 0.00 0.00 179.01 175.67 1wry n ALA 113 N -2.09 0.86 -0.07 3.43 0.00 0.47 -4.23 120.51 118.88 1wry n ALA 113 Ca 0.13 -0.59 -0.04 0.00 0.00 0.00 0.00 53.44 52.95 1wry n ALA 113 Cb 1.14 -0.48 0.19 0.00 0.00 0.00 0.00 19.45 20.29 1wry n ALA 113 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1wry h GLU 114 N -0.87 0.70 -4.61 0.00 -0.00 0.54 -3.41 114.58 106.93 1wry h GLU 114 Ca -0.41 -0.20 -0.56 0.00 -0.00 0.00 0.00 59.36 58.19 1wry h GLU 114 Cb 1.44 -0.08 -0.35 0.00 -0.00 0.00 0.00 28.75 29.76 1wry h GLU 114 CO -0.21 0.75 -0.83 0.54 -0.00 0.00 0.00 179.01 179.27 1wry s VAL 115 N -4.89 1.34 0.01 -1.06 0.11 0.84 -5.01 120.40 111.75 1wry s VAL 115 Ca -0.09 -0.55 -0.04 0.00 -2.93 0.00 0.00 61.98 58.37 1wry s VAL 115 Cb 0.15 -1.25 -0.02 0.00 -1.53 0.00 0.00 36.38 33.73 1wry s VAL 115 CO 0.80 0.41 -0.09 -0.24 -3.33 0.00 0.00 175.10 172.65 1wry n SER 116 N 4.25 1.16 -4.25 3.54 2.88 -1.26 -3.88 113.62 116.07 1wry n SER 116 Ca -0.19 0.17 -0.39 0.00 -1.33 0.00 0.00 58.87 57.13 1wry n SER 116 Cb 0.51 -0.39 -0.14 0.00 -0.75 0.00 0.00 64.21 63.44 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 2.91 -0.46 0.17 0.46 0.00 -1.26 -4.75 105.19 102.27 1wry n GLY 117 Ca -0.05 1.09 -0.18 0.00 0.00 0.00 0.00 46.02 46.88 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 11.33 0.57 0.00 1.61 0.13 -1.93 -3.49 132.00 140.22 1wry h PRO 118 Ca -0.05 -0.56 0.10 0.00 -0.87 0.00 0.00 66.00 64.62 1wry h PRO 118 Cb 1.24 0.15 -0.02 0.00 0.13 0.00 0.00 31.00 32.49 1wry h PRO 118 CO 1.31 1.18 -0.13 -1.13 -0.23 0.00 0.00 178.00 179.01 1wry n SER 119 N -4.08 -3.20 -4.72 1.44 3.41 -1.26 -4.82 113.62 100.40 1wry n SER 119 Ca -0.10 0.38 -0.26 0.00 -0.26 0.00 0.00 58.87 58.63 1wry n SER 119 Cb 0.73 -1.22 -0.07 0.00 -0.26 0.00 0.00 64.21 63.39 1wry n SER 119 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wry s SER 120 N -3.80 5.06 0.00 4.04 0.15 -1.26 -5.17 113.70 112.72 1wry s SER 120 Ca 0.00 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.35 1wry s SER 120 Cb 0.00 -1.18 0.00 0.00 -1.71 0.00 0.00 66.02 63.13 1wry s SER 120 CO 0.00 0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.13