#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wry s SER 2 N 0.00 -0.42 -0.03 1.61 0.15 -1.26 -5.06 113.70 108.69 1wry s SER 2 Ca 0.00 -0.32 -0.08 0.00 0.70 0.00 0.00 55.95 56.26 1wry s SER 2 Cb 0.00 0.54 -0.03 0.00 -1.71 0.00 0.00 66.02 64.82 1wry s SER 2 CO 0.00 -0.04 -0.15 -0.24 1.20 0.00 0.00 173.24 174.01 1wry n SER 3 N 3.34 1.41 0.00 5.45 2.88 -1.26 -5.15 113.62 120.29 1wry n SER 3 Ca 0.08 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 1wry n SER 3 Cb 0.63 -0.50 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 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 2.59 3.87 0.00 0.46 0.00 -1.26 -5.18 105.19 105.67 1wry n GLY 4 Ca -0.08 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1wry n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wry n SER 5 N 0.00 0.00 -3.46 1.61 7.64 -1.26 -5.14 113.62 113.01 1wry n SER 5 Ca 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.69 1wry n SER 5 Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 1wry n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wry s SER 6 N 0.00 1.77 0.00 6.43 0.01 -1.26 -5.13 113.70 115.52 1wry s SER 6 Ca 0.00 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 56.70 1wry s SER 6 Cb 0.00 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.57 1wry s SER 6 CO 0.00 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 173.89 1wry n GLY 7 N 5.31 -1.18 2.46 3.44 0.00 -1.26 -5.11 105.19 108.85 1wry n GLY 7 Ca -0.04 -0.96 -0.26 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.41 0.73 0.16 1.61 0.00 -1.26 -5.08 119.30 114.05 1wry s MET 8 Ca 0.00 -1.64 -0.21 0.00 0.00 0.00 0.00 55.69 53.84 1wry s MET 8 Cb 0.00 -1.27 -0.08 0.00 0.00 0.00 0.00 34.83 33.49 1wry s MET 8 CO 0.00 -1.29 0.70 0.08 0.00 0.00 0.00 175.02 174.50 1wry s VAL 9 N 0.63 4.55 -0.40 5.16 1.01 -1.26 -4.95 120.40 125.14 1wry s VAL 9 Ca 0.25 1.41 -0.09 0.00 0.00 0.00 0.00 61.98 63.55 1wry s VAL 9 Cb -0.10 -3.97 0.07 0.00 0.00 0.00 0.00 36.38 32.38 1wry s VAL 9 CO -0.09 0.42 0.24 -0.63 0.00 0.00 0.00 175.10 175.03 1wry s ILE 10 N -1.27 4.24 -0.25 2.22 -1.09 -1.09 -1.06 121.20 122.90 1wry s ILE 10 Ca 0.36 -1.29 -0.10 0.00 -2.23 0.00 0.00 60.65 57.39 1wry s ILE 10 Cb -0.20 -3.54 -0.05 0.00 -1.58 0.00 0.00 42.46 37.09 1wry s ILE 10 CO 0.22 -0.43 0.15 -0.13 -1.23 0.00 0.00 174.94 173.52 1wry s ARG 11 N 1.44 3.97 -0.16 2.79 0.52 0.18 0.19 118.95 127.88 1wry s ARG 11 Ca 0.02 -0.32 -0.04 0.00 -0.52 0.00 0.00 55.73 54.88 1wry s ARG 11 Cb -0.22 -3.52 -0.03 0.00 0.52 0.00 0.00 34.95 31.70 1wry s ARG 11 CO 0.03 -0.03 -0.04 0.08 0.02 0.00 0.00 175.30 175.36 1wry s VAL 12 N 1.29 3.89 -0.56 3.52 1.01 -0.21 0.12 120.40 129.46 1wry s VAL 12 Ca 0.07 -0.36 -0.15 0.00 0.00 0.00 0.00 61.98 61.54 1wry s VAL 12 Cb -0.14 -2.71 0.14 0.00 0.00 0.00 0.00 36.38 33.66 1wry s VAL 12 CO 0.06 0.49 0.51 -0.31 0.00 0.00 0.00 175.10 175.85 1wry s TYR 13 N 0.39 3.31 0.41 5.22 1.51 0.50 0.72 117.35 129.41 1wry s TYR 13 Ca -0.04 -1.41 0.08 0.00 -1.01 0.00 0.00 57.07 54.69 1wry s TYR 13 Cb -0.14 -3.77 -0.01 0.00 -0.11 0.00 0.00 41.96 37.93 1wry s TYR 13 CO 0.03 -1.01 0.42 0.96 -1.11 0.00 0.00 175.55 174.83 1wry s ILE 14 N 1.45 2.85 -0.76 2.71 -4.36 0.56 -2.16 121.20 121.49 1wry s ILE 14 Ca 0.05 -1.25 0.03 0.00 -0.26 0.00 0.00 60.65 59.21 1wry s ILE 14 Cb -0.28 -3.02 0.31 0.00 1.25 0.00 0.00 42.46 40.72 1wry s ILE 14 CO 0.02 -0.02 1.17 0.00 0.24 0.00 0.00 174.94 176.35 1wry n ALA 15 N -1.61 4.92 -1.51 2.27 0.00 -1.26 0.22 120.51 123.54 1wry n ALA 15 Ca 0.04 -4.72 -0.59 0.00 0.00 0.00 0.00 53.44 48.17 1wry n ALA 15 Cb 0.61 -1.30 -0.08 0.00 0.00 0.00 0.00 19.45 18.67 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 0.25 0.49 -0.51 0.00 2.88 -1.26 -1.39 113.62 114.08 1wry n SER 16 Ca 0.34 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.98 1wry n SER 16 Cb 0.36 -0.85 0.00 0.00 -0.75 0.00 0.00 64.21 62.97 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 2.44 -1.73 -4.56 -3.46 2.88 -1.26 -4.53 113.62 103.40 1wry n SER 17 Ca 0.23 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.48 1wry n SER 17 Cb 0.02 -0.43 0.15 0.00 -0.75 0.00 0.00 64.21 63.20 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 -2.84 3.17 -0.25 -3.46 0.01 -0.49 -5.03 113.70 104.81 1wry s SER 18 Ca 0.00 0.79 -0.16 0.00 1.31 0.00 0.00 55.95 57.89 1wry s SER 18 Cb 0.00 -1.23 -0.15 0.00 0.21 0.00 0.00 66.02 64.85 1wry s SER 18 CO 0.00 -2.74 -0.15 0.61 0.41 0.00 0.00 173.24 171.36 1wry n GLY 19 N -2.37 -0.58 3.65 3.44 0.00 -1.26 -4.88 105.19 103.18 1wry n GLY 19 Ca 0.09 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 -7.26 6.70 0.27 1.61 0.01 -1.26 -4.89 113.70 108.88 1wry s SER 20 Ca -0.35 1.69 -0.01 0.00 1.31 0.00 0.00 55.95 58.59 1wry s SER 20 Cb 0.12 -2.54 0.51 0.00 0.21 0.00 0.00 66.02 64.32 1wry s SER 20 CO 0.53 -0.98 1.81 0.74 0.41 0.00 0.00 173.24 175.75 1wry h THR 21 N 5.76 0.87 -0.66 1.44 2.02 -2.00 -1.60 112.91 118.74 1wry h THR 21 Ca -0.31 -0.29 0.11 0.00 0.77 0.00 0.00 66.41 66.70 1wry h THR 21 Cb 1.13 -0.05 -0.12 0.00 -1.74 0.00 0.00 68.15 67.37 1wry h THR 21 CO 0.99 0.15 -0.36 0.00 0.37 0.00 0.00 175.52 176.67 1wry h ALA 22 N 1.52 -0.04 0.29 6.16 0.00 -1.99 0.15 119.26 125.35 1wry h ALA 22 Ca 0.46 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.55 1wry h ALA 22 Cb 0.50 0.85 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 1wry h ALA 22 CO -0.28 -0.69 -0.48 0.82 0.00 0.00 0.00 179.25 178.62 1wry h ILE 23 N -0.14 0.00 -0.99 0.00 2.04 -1.64 0.98 117.51 117.76 1wry h ILE 23 Ca 0.25 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.29 1wry h ILE 23 Cb 0.56 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.46 1wry h ILE 23 CO -0.74 0.00 -0.30 0.29 0.00 0.00 0.00 178.15 177.41 1wry n LYS 24 N -5.27 -0.14 0.39 2.37 5.02 -0.29 0.13 118.16 120.36 1wry n LYS 24 Ca -0.10 1.54 -0.15 0.00 -2.02 0.00 0.00 58.31 57.58 1wry n LYS 24 Cb 0.41 -2.29 -0.07 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 -0.96 -0.87 1.97 3.64 0.10 0.26 116.57 120.71 1wry h LYS 25 Ca 0.43 0.07 0.09 0.00 -1.27 0.00 0.00 60.65 59.97 1wry h LYS 25 Cb 0.68 0.22 -0.12 0.00 -0.41 0.00 0.00 32.23 32.60 1wry h LYS 25 CO -1.01 -0.64 -0.55 0.87 -2.27 0.00 0.00 179.45 175.85 1wry h LYS 26 N -1.17 -0.08 -0.35 1.90 1.57 0.33 1.57 116.57 120.35 1wry h LYS 26 Ca -0.10 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.76 1wry h LYS 26 Cb 0.77 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 33.02 1wry h LYS 26 CO 0.17 -0.05 -0.14 1.96 -0.57 0.00 0.00 179.45 180.81 1wry h GLN 27 N -0.09 -0.07 0.00 3.15 4.20 0.10 0.57 115.11 122.97 1wry h GLN 27 Ca 0.17 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1wry h GLN 27 Cb 0.48 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.27 1wry h GLN 27 CO -0.87 -0.05 0.00 1.96 -0.67 0.00 0.00 178.83 179.20 1wry h GLN 28 N -0.08 0.00 0.11 1.46 4.20 0.18 0.21 115.11 121.20 1wry h GLN 28 Ca 0.18 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.62 1wry h GLN 28 Cb 0.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1wry h GLN 28 CO -0.40 0.00 -1.20 0.22 -0.67 0.00 0.00 178.83 176.77 1wry h ASP 29 N 0.00 0.42 0.68 1.46 3.58 0.72 0.23 116.42 123.52 1wry h ASP 29 Ca 0.00 -0.44 -0.27 0.00 0.42 0.00 0.00 57.03 56.75 1wry h ASP 29 Cb 0.20 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.11 1wry h ASP 29 CO 0.00 1.33 -1.23 0.58 -2.88 0.00 0.00 179.24 177.04 1wry h VAL 30 N 0.09 1.51 0.05 2.25 2.07 0.51 -2.80 116.25 119.93 1wry h VAL 30 Ca -0.12 -3.11 -0.00 0.00 0.82 0.00 0.00 66.70 64.28 1wry h VAL 30 Cb 1.92 2.91 0.00 0.00 -1.52 0.00 0.00 31.29 34.61 1wry h VAL 30 CO 0.20 0.90 -0.03 -0.07 0.02 0.00 0.00 177.57 178.59 1wry h LEU 31 N 0.06 -0.06 -1.16 2.57 3.38 -0.70 -2.84 115.31 116.55 1wry h LEU 31 Ca -0.12 -0.58 0.19 0.00 0.09 0.00 0.00 57.88 57.45 1wry h LEU 31 Cb 1.94 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 42.61 1wry h LEU 31 CO 0.19 0.65 0.61 1.23 0.09 0.00 0.00 178.44 181.21 1wry h GLY 32 N -0.88 1.50 0.80 0.83 0.00 -0.66 0.17 103.07 104.83 1wry h GLY 32 Ca -0.01 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 1wry h GLY 32 CO 0.01 -0.02 -0.04 -2.75 0.00 0.00 0.00 176.54 173.74 1wry h PHE 33 N 0.69 -0.11 0.00 5.60 3.57 -1.55 0.74 116.94 125.88 1wry h PHE 33 Ca 0.54 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.03 1wry h PHE 33 Cb 0.93 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.71 1wry h PHE 33 CO -0.00 0.11 0.00 -0.07 -2.23 0.00 0.00 178.31 176.12 1wry h LEU 34 N -0.31 0.00 0.15 0.59 3.38 -0.97 0.46 115.31 118.60 1wry h LEU 34 Ca -0.01 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.65 1wry h LEU 34 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1wry h LEU 34 CO 0.02 0.00 -1.58 -0.33 0.09 0.00 0.00 178.44 176.64 1wry h GLU 35 N 0.00 0.31 -0.04 1.13 5.08 -0.04 1.02 114.58 122.04 1wry h GLU 35 Ca 0.00 -0.53 -0.14 0.00 -1.00 0.00 0.00 59.36 57.70 1wry h GLU 35 Cb 0.21 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1wry h GLU 35 CO 0.00 1.25 -0.60 0.00 -1.00 0.00 0.00 179.01 178.66 1wry h ALA 36 N 0.02 0.92 -0.02 3.43 0.00 0.11 -2.20 119.26 121.53 1wry h ALA 36 Ca -0.33 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.04 1wry h ALA 36 Cb 1.91 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.61 1wry h ALA 36 CO 0.11 0.74 0.00 0.09 0.00 0.00 0.00 179.25 180.19 1wry n ASN 37 N -3.85 1.02 -3.79 0.00 3.02 0.16 -4.92 115.26 106.90 1wry n ASN 37 Ca -0.02 -1.35 -0.23 0.00 -0.03 0.00 0.00 54.58 52.95 1wry n ASN 37 Cb 0.61 -0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.79 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 -0.20 -4.41 -3.27 3.52 4.76 -0.83 -4.95 118.16 112.78 1wry n LYS 38 Ca 0.20 0.55 -0.28 0.00 -2.87 0.00 0.00 58.31 55.91 1wry n LYS 38 Cb 0.27 -4.98 -0.03 0.00 -1.84 0.00 0.00 35.03 28.45 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 -3.75 5.01 -1.21 -0.18 1.01 0.35 -5.01 121.20 117.42 1wry s ILE 39 Ca 0.03 0.03 -0.11 0.00 0.00 0.00 0.00 60.65 60.60 1wry s ILE 39 Cb -0.01 -3.76 0.20 0.00 0.01 0.00 0.00 42.46 38.90 1wry s ILE 39 CO 0.84 -0.40 1.54 0.61 0.00 0.00 0.00 174.94 177.54 1wry n GLY 40 N -1.15 4.12 3.89 6.18 0.00 -1.26 -4.75 105.19 112.22 1wry n GLY 40 Ca -0.02 -2.18 -0.25 0.00 0.00 0.00 0.00 46.02 43.58 1wry n GLY 40 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1wry s PHE 41 N 0.37 1.89 0.08 1.61 -0.71 -1.26 -2.67 117.98 117.30 1wry s PHE 41 Ca 0.39 -0.75 0.05 0.00 -1.04 0.00 0.00 56.93 55.58 1wry s PHE 41 Cb 0.01 -1.99 -0.03 0.00 -1.21 0.00 0.00 43.02 39.80 1wry s PHE 41 CO 0.00 -0.40 -0.13 -1.21 -1.34 0.00 0.00 175.22 172.15 1wry s GLU 42 N -4.25 0.80 -0.34 1.99 0.41 0.51 -4.86 118.70 112.97 1wry s GLU 42 Ca 0.39 -0.99 -0.10 0.00 -0.41 0.00 0.00 54.97 53.86 1wry s GLU 42 Cb -0.02 -0.70 0.01 0.00 -1.78 0.00 0.00 34.13 31.64 1wry s GLU 42 CO 0.24 0.14 0.16 -1.21 -0.49 0.00 0.00 175.26 174.11 1wry s GLU 43 N -2.00 3.04 -0.22 1.61 2.02 -1.26 -1.04 118.70 120.84 1wry s GLU 43 Ca -0.01 -0.92 -0.02 0.00 0.02 0.00 0.00 54.97 54.04 1wry s GLU 43 Cb -0.08 -3.61 0.01 0.00 0.10 0.00 0.00 34.13 30.55 1wry s GLU 43 CO 0.02 -0.56 -0.08 0.15 0.02 0.00 0.00 175.26 174.81 1wry s LYS 44 N 1.56 3.11 0.05 1.61 -0.14 0.22 -4.96 119.74 121.20 1wry s LYS 44 Ca 0.03 -0.79 -0.20 0.00 -1.36 0.00 0.00 55.97 53.65 1wry s LYS 44 Cb -0.18 -2.91 -0.06 0.00 -1.68 0.00 0.00 37.83 32.99 1wry s LYS 44 CO 0.06 -0.27 0.59 0.34 -0.76 0.00 0.00 175.35 175.31 1wry s ASP 45 N 1.39 7.06 -0.01 2.83 2.15 -1.25 0.21 116.67 129.05 1wry s ASP 45 Ca 0.04 1.26 0.10 0.00 0.43 0.00 0.00 52.55 54.38 1wry s ASP 45 Cb -0.15 -2.37 -0.14 0.00 -0.30 0.00 0.00 42.92 39.96 1wry s ASP 45 CO -0.06 0.21 0.31 2.30 -0.17 0.00 0.00 175.17 177.77 1wry n ILE 46 N 2.04 0.00 -0.05 4.11 -5.35 0.59 -4.11 119.36 116.60 1wry n ILE 46 Ca -0.09 -0.25 -0.12 0.00 -0.27 0.00 0.00 62.75 62.02 1wry n ILE 46 Cb 0.51 0.57 -0.07 0.00 -1.74 0.00 0.00 39.64 38.91 1wry n ILE 46 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wry h ALA 47 N 1.14 0.19 -3.00 -1.28 0.00 -1.80 -3.41 119.26 111.11 1wry h ALA 47 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1wry h ALA 47 Cb 0.37 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1wry h ALA 47 CO 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.22 1wry n ALA 48 N -2.36 0.00 -1.68 0.00 0.00 -1.26 -4.82 120.51 110.39 1wry n ALA 48 Ca -0.06 0.00 -0.47 0.00 0.00 0.00 0.00 53.44 52.91 1wry n ALA 48 Cb 0.28 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.68 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 -0.25 3.37 -0.08 0.00 5.15 -1.26 -4.88 115.26 117.31 1wry n ASN 49 Ca 0.00 1.01 -0.14 0.00 -0.60 0.00 0.00 54.58 54.85 1wry n ASN 49 Cb 0.00 -1.41 -0.11 0.00 -0.53 0.00 0.00 39.78 37.73 1wry n ASN 49 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1wry h GLU 50 N 7.95 0.00 -0.99 1.20 4.81 -1.88 -3.32 114.58 122.36 1wry h GLU 50 Ca -0.47 0.00 0.24 0.00 -0.13 0.00 0.00 59.36 59.00 1wry h GLU 50 Cb 1.26 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.46 1wry h GLU 50 CO 0.92 0.89 -0.09 1.05 -0.73 0.00 0.00 179.01 181.05 1wry h GLU 51 N -1.00 0.00 -0.12 1.92 4.11 -1.94 0.83 114.58 118.39 1wry h GLU 51 Ca -0.07 -0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.41 1wry h GLU 51 Cb 0.96 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.15 1wry h GLU 51 CO -0.04 0.00 -0.28 -0.91 0.07 0.00 0.00 179.01 177.85 1wry h ASN 52 N 0.00 -0.86 0.71 3.06 4.21 -1.87 1.03 115.58 121.86 1wry h ASN 52 Ca 0.55 0.13 -0.03 0.00 1.21 0.00 0.00 56.30 58.15 1wry h ASN 52 Cb 1.02 0.37 0.01 0.00 -1.12 0.00 0.00 38.32 38.60 1wry h ASN 52 CO -0.96 -0.33 -0.34 -0.09 -1.29 0.00 0.00 177.43 174.42 1wry h ARG 53 N -0.36 -0.92 -0.19 0.81 2.43 0.32 0.26 114.38 116.72 1wry h ARG 53 Ca 0.09 0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.35 1wry h ARG 53 Cb 0.50 0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 30.22 1wry h ARG 53 CO -0.32 -0.61 -0.28 -0.22 -1.51 0.00 0.00 179.97 177.03 1wry h LYS 54 N -0.99 -0.20 -0.45 0.20 3.64 -0.01 0.51 116.57 119.27 1wry h LYS 54 Ca -0.10 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.34 1wry h LYS 54 Cb 0.73 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.52 1wry h LYS 54 CO 0.16 -0.13 -0.46 2.35 -2.27 0.00 0.00 179.45 179.09 1wry h TRP 55 N -0.21 -1.43 -0.72 1.91 7.01 0.11 -0.91 115.95 121.71 1wry h TRP 55 Ca 0.03 0.08 0.07 0.00 2.11 0.00 0.00 58.89 61.18 1wry h TRP 55 Cb 0.30 0.68 -0.09 0.00 -2.10 0.00 0.00 29.16 27.96 1wry h TRP 55 CO -0.65 -0.38 -0.49 1.98 -2.79 0.00 0.00 178.44 176.12 1wry h MET 56 N -0.24 -0.08 -0.97 2.65 4.05 0.48 0.16 114.93 120.98 1wry h MET 56 Ca 0.08 0.01 0.16 0.00 -0.28 0.00 0.00 59.70 59.66 1wry h MET 56 Cb 0.45 0.02 -0.17 0.00 -0.80 0.00 0.00 31.60 31.10 1wry h MET 56 CO -0.56 -0.05 -0.35 0.00 0.23 0.00 0.00 176.91 176.18 1wry h ARG 57 N -0.08 -0.01 -0.75 0.39 3.08 0.13 1.18 114.38 118.32 1wry h ARG 57 Ca 0.12 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.29 1wry h ARG 57 Cb 0.38 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.34 1wry h ARG 57 CO -0.71 -0.01 0.33 0.93 -1.07 0.00 0.00 179.97 179.44 1wry h GLU 58 N -0.01 0.50 0.61 0.04 4.39 0.39 -2.14 114.58 118.35 1wry h GLU 58 Ca 0.37 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 60.01 1wry h GLU 58 Cb 0.63 -0.11 0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1wry h GLU 58 CO -0.98 0.33 -0.29 -0.91 -1.16 0.00 0.00 179.01 175.99 1wry h ASN 59 N 0.51 -0.69 -0.87 1.42 2.35 0.24 -3.44 115.58 115.10 1wry h ASN 59 Ca 0.40 -0.02 -0.71 0.00 -0.55 0.00 0.00 56.30 55.42 1wry h ASN 59 Cb 0.55 0.18 0.03 0.00 0.05 0.00 0.00 38.32 39.13 1wry h ASN 59 CO -0.36 -0.40 0.19 0.52 -1.65 0.00 0.00 177.43 175.74 1wry n VAL 60 N -5.39 0.00 -2.54 2.81 0.31 0.10 -4.85 118.33 108.77 1wry n VAL 60 Ca -0.12 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.86 1wry n VAL 60 Cb 0.35 -0.11 -0.04 0.00 -0.91 0.00 0.00 33.84 33.13 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 0.66 3.95 0.53 5.55 0.04 -1.26 -4.89 135.00 139.59 1wry s PRO 61 Ca 0.82 1.43 0.27 0.00 0.04 0.00 0.00 61.00 63.56 1wry s PRO 61 Cb -1.16 -2.28 1.51 0.00 0.04 0.00 0.00 34.50 32.61 1wry s PRO 61 CO 0.55 -0.31 2.11 1.05 0.04 0.00 0.00 177.00 180.44 1wry h GLU 62 N 1.95 0.00 0.00 4.56 4.11 -1.94 0.23 114.58 123.49 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 0.10 0.00 0.27 0.07 0.00 0.00 179.01 180.05 1wry n ASN 63 N -3.70 0.00 0.00 3.06 6.94 -1.26 -2.75 115.26 117.54 1wry n ASN 63 Ca -0.02 -0.27 0.00 0.00 -0.02 0.00 0.00 54.58 54.27 1wry n ASN 63 Cb 0.21 -0.24 0.00 0.00 -2.36 0.00 0.00 39.78 37.39 1wry n ASN 63 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1wry n SER 64 N -1.24 0.53 -4.81 0.53 7.64 0.56 -5.04 113.62 111.79 1wry n SER 64 Ca 0.16 -0.77 -0.33 0.00 1.01 0.00 0.00 58.87 58.93 1wry n SER 64 Cb 0.22 0.45 -0.06 0.00 -1.01 0.00 0.00 64.21 63.80 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 -0.45 4.09 0.96 1.43 0.52 0.14 -4.91 118.95 120.73 1wry s ARG 65 Ca 0.00 1.20 -0.16 0.00 -0.52 0.00 0.00 55.73 56.24 1wry s ARG 65 Cb 0.00 -2.15 0.23 0.00 0.52 0.00 0.00 34.95 33.55 1wry s ARG 65 CO 0.00 -0.16 1.05 -0.35 0.02 0.00 0.00 175.30 175.87 1wry n PRO 66 N -0.74 -1.98 -0.08 3.54 -0.04 -1.26 -4.95 135.00 129.49 1wry n PRO 66 Ca 0.08 -1.65 -0.07 0.00 -0.04 0.00 0.00 63.50 61.82 1wry n PRO 66 Cb 0.54 -1.30 -0.00 0.00 -0.04 0.00 0.00 33.50 32.69 1wry n PRO 66 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wry h ALA 67 N -2.23 0.11 -1.20 0.55 0.00 -1.97 -3.45 119.26 111.07 1wry h ALA 67 Ca -0.37 0.11 0.17 0.00 0.00 0.00 0.00 54.91 54.83 1wry h ALA 67 Cb 1.06 0.34 -0.31 0.00 0.00 0.00 0.00 17.79 18.88 1wry h ALA 67 CO 0.25 -0.53 0.73 -0.08 0.00 0.00 0.00 179.25 179.61 1wry s THR 68 N -6.17 0.00 0.00 0.00 -1.32 -1.26 -5.02 115.64 101.86 1wry s THR 68 Ca -0.14 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.34 1wry s THR 68 Cb 0.13 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.12 1wry s THR 68 CO 0.69 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.71 1wry n GLY 69 N 2.32 1.63 1.25 6.08 0.00 -1.26 -5.05 105.19 110.15 1wry n GLY 69 Ca -0.13 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.11 -3.01 -2.45 1.61 4.01 -1.26 -4.71 117.16 111.24 1wry n TYR 70 Ca 0.00 1.64 -0.42 0.00 -0.16 0.00 0.00 57.90 58.96 1wry n TYR 70 Cb 0.00 -2.74 -0.03 0.00 -0.31 0.00 0.00 39.34 36.26 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 -4.10 4.41 0.37 -0.72 0.04 -1.26 -4.65 135.00 129.11 1wry s PRO 71 Ca 0.00 1.72 -0.10 0.00 0.04 0.00 0.00 61.00 62.65 1wry s PRO 71 Cb 0.00 -3.43 -0.06 0.00 0.04 0.00 0.00 34.50 31.05 1wry s PRO 71 CO 0.00 -0.31 0.73 -0.51 0.04 0.00 0.00 177.00 176.95 1wry s LEU 72 N 1.45 3.90 0.88 -3.56 1.43 -1.26 -5.03 118.68 116.48 1wry s LEU 72 Ca 0.57 1.08 -0.12 0.00 -1.03 0.00 0.00 54.13 54.63 1wry s LEU 72 Cb -0.27 -3.94 0.12 0.00 0.03 0.00 0.00 46.19 42.13 1wry s LEU 72 CO 0.27 -0.34 1.13 -2.16 0.23 0.00 0.00 176.35 175.47 1wry s PRO 73 N -3.69 1.38 0.69 1.29 0.04 -1.26 -4.59 135.00 128.87 1wry s PRO 73 Ca 0.50 0.38 -0.11 0.00 0.04 0.00 0.00 61.00 61.82 1wry s PRO 73 Cb -0.10 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.58 1wry s PRO 73 CO 0.29 -2.05 1.06 -1.25 0.04 0.00 0.00 177.00 175.09 1wry s PRO 74 N -5.25 2.94 -0.19 0.56 0.04 -1.26 -4.88 135.00 126.96 1wry s PRO 74 Ca 0.63 0.96 -0.01 0.00 0.04 0.00 0.00 61.00 62.62 1wry s PRO 74 Cb -0.15 -1.99 0.05 0.00 0.04 0.00 0.00 34.50 32.45 1wry s PRO 74 CO 0.54 -1.09 -0.02 -0.65 0.04 0.00 0.00 177.00 175.81 1wry s GLN 75 N -5.03 1.23 0.06 4.56 -1.52 -0.92 -3.56 119.66 114.47 1wry s GLN 75 Ca 0.58 -0.60 -0.21 0.00 -1.95 0.00 0.00 55.36 53.18 1wry s GLN 75 Cb -0.14 -2.17 -0.06 0.00 -0.22 0.00 0.00 33.01 30.41 1wry s GLN 75 CO 0.55 -0.54 0.61 0.42 -0.25 0.00 0.00 175.29 176.08 1wry s ILE 76 N 1.64 4.75 -0.07 1.08 1.09 -0.80 0.19 121.20 129.09 1wry s ILE 76 Ca -0.02 1.30 -0.03 0.00 -1.10 0.00 0.00 60.65 60.81 1wry s ILE 76 Cb -0.17 -3.95 0.04 0.00 -1.06 0.00 0.00 42.46 37.33 1wry s ILE 76 CO -0.07 0.50 0.15 -0.36 -0.10 0.00 0.00 174.94 175.06 1wry s PHE 77 N -0.77 -0.18 -0.82 3.97 0.08 0.31 -3.25 117.98 117.33 1wry s PHE 77 Ca 0.31 0.52 -0.23 0.00 0.12 0.00 0.00 56.93 57.64 1wry s PHE 77 Cb -0.20 -0.10 0.06 0.00 -0.57 0.00 0.00 43.02 42.22 1wry s PHE 77 CO 0.19 -0.19 1.20 1.21 -0.10 0.00 0.00 175.22 177.54 1wry s ASN 78 N 1.33 6.33 0.00 1.36 3.84 0.39 0.48 114.94 128.67 1wry s ASN 78 Ca -0.08 -1.13 0.00 0.00 0.21 0.00 0.00 52.86 51.86 1wry s ASN 78 Cb -0.12 -2.49 0.00 0.00 -0.55 0.00 0.00 41.25 38.09 1wry s ASN 78 CO -0.06 -1.51 0.00 -0.62 -2.79 0.00 0.00 177.10 172.12 1wry n GLU 79 N 8.27 0.00 0.00 0.43 1.02 -0.22 -1.38 120.64 128.77 1wry n GLU 79 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1wry n GLU 79 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.90 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 1.13 0.00 -4.67 1.62 2.88 -1.26 -4.88 113.62 108.45 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 0.16 0.00 -0.75 0.00 0.00 64.21 63.62 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 0.89 -0.13 -1.46 -1.52 -0.48 -5.00 119.66 110.97 1wry s GLN 81 Ca 0.00 1.08 -0.06 0.00 -1.95 0.00 0.00 55.36 54.42 1wry s GLN 81 Cb 0.00 -1.75 -0.04 0.00 -0.22 0.00 0.00 33.01 31.00 1wry s GLN 81 CO 0.00 -2.57 0.09 -0.47 -0.25 0.00 0.00 175.29 172.09 1wry s TYR 82 N -2.76 3.40 -0.11 0.91 5.04 -1.26 -0.46 117.35 122.10 1wry s TYR 82 Ca 0.65 0.33 -0.10 0.00 -2.44 0.00 0.00 57.07 55.50 1wry s TYR 82 Cb -0.21 -1.96 -0.05 0.00 0.35 0.00 0.00 41.96 40.09 1wry s TYR 82 CO 0.59 0.50 -0.22 0.54 -1.34 0.00 0.00 175.55 175.61 1wry n ARG 83 N 2.54 0.35 -3.28 4.97 5.12 -1.20 -4.86 116.66 120.29 1wry n ARG 83 Ca -0.18 0.14 0.00 0.00 -1.93 0.00 0.00 57.85 55.88 1wry n ARG 83 Cb 0.54 -1.10 0.00 0.00 -1.16 0.00 0.00 32.46 30.74 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 2.10 -1.29 2.64 -0.13 0.00 -1.25 -5.05 105.19 102.21 1wry n GLY 84 Ca -0.18 -0.93 -0.23 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 0.85 2.86 -0.42 1.61 5.75 -1.26 -1.90 116.55 124.05 1wry n ASP 85 Ca 0.00 -2.55 0.34 0.00 -0.01 0.00 0.00 54.79 52.57 1wry n ASP 85 Cb 0.00 0.20 0.62 0.00 -1.03 0.00 0.00 41.12 40.91 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 1.07 0.52 0.55 2.11 5.03 -1.91 0.62 116.97 124.95 1wry h TYR 86 Ca -0.29 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.01 1wry h TYR 86 Cb 0.92 -0.13 0.01 0.00 1.55 0.00 0.00 36.73 39.07 1wry h TYR 86 CO 0.00 -0.13 -0.26 -0.44 -1.32 0.00 0.00 178.16 176.01 1wry h ASP 87 N 0.15 -0.62 -0.34 -2.11 3.32 -1.94 0.29 116.42 115.17 1wry h ASP 87 Ca 0.76 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.77 1wry h ASP 87 Cb 2.34 0.16 -0.02 0.00 0.22 0.00 0.00 39.33 42.03 1wry h ASP 87 CO -0.36 -0.39 0.13 0.00 -1.72 0.00 0.00 179.24 176.90 1wry h ALA 88 N -0.39 1.46 -0.39 3.45 0.00 -0.61 -0.85 119.26 121.93 1wry h ALA 88 Ca -0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1wry h ALA 88 Cb 0.60 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1wry h ALA 88 CO 0.12 0.40 0.17 0.35 0.00 0.00 0.00 179.25 180.30 1wry h PHE 89 N 0.59 0.59 -0.06 0.00 3.57 0.37 0.33 116.94 122.32 1wry h PHE 89 Ca 0.14 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1wry h PHE 89 Cb 0.18 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 1wry h PHE 89 CO 0.01 0.51 0.01 0.35 -2.23 0.00 0.00 178.31 176.95 1wry h PHE 90 N 0.49 0.12 0.05 0.41 3.04 0.09 -2.09 116.94 119.05 1wry h PHE 90 Ca 0.13 -0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.08 1wry h PHE 90 Cb 0.16 -0.03 -0.03 0.00 2.56 0.00 0.00 35.95 38.61 1wry h PHE 90 CO -0.01 0.36 -0.18 1.49 -2.02 0.00 0.00 178.31 177.95 1wry h GLU 91 N -0.16 -0.31 -0.31 1.11 4.81 -1.09 0.19 114.58 118.81 1wry h GLU 91 Ca 0.02 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.36 1wry h GLU 91 Cb 0.31 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1wry h GLU 91 CO 0.00 -0.21 0.31 0.00 -0.73 0.00 0.00 179.01 178.38 1wry h ALA 92 N 0.54 2.04 0.05 2.92 0.00 -0.92 -0.89 119.26 123.00 1wry h ALA 92 Ca 0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1wry h ALA 92 Cb 0.37 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1wry h ALA 92 CO -0.14 -0.47 -0.02 -0.09 0.00 0.00 0.00 179.25 178.53 1wry h ARG 93 N 0.00 -0.07 -0.98 0.00 2.43 -0.16 1.59 114.38 117.20 1wry h ARG 93 Ca 0.15 0.00 0.18 0.00 -0.81 0.00 0.00 59.98 59.50 1wry h ARG 93 Cb 0.76 0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 30.22 1wry h ARG 93 CO -0.00 0.56 0.58 0.93 -1.51 0.00 0.00 179.97 180.53 1wry h GLU 94 N -0.85 0.74 -0.42 0.20 4.39 0.53 1.47 114.58 120.64 1wry h GLU 94 Ca -0.01 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1wry h GLU 94 Cb 0.65 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1wry h GLU 94 CO 0.01 0.49 0.00 0.09 -1.16 0.00 0.00 179.01 178.44 1wry n ASN 95 N -4.77 1.79 -3.94 1.42 3.02 -0.49 -4.91 115.26 107.38 1wry n ASN 95 Ca 0.22 -2.09 -0.38 0.00 -0.03 0.00 0.00 54.58 52.30 1wry n ASN 95 Cb 0.53 -0.28 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 0.29 -4.52 -0.69 6.41 4.13 0.50 -4.84 115.26 116.53 1wry n ASN 96 Ca 0.09 -1.15 -0.01 0.00 1.68 0.00 0.00 54.58 55.19 1wry n ASN 96 Cb 0.32 -1.84 -0.01 0.00 -1.54 0.00 0.00 39.78 36.71 1wry n ASN 96 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wry n ALA 97 N -4.16 2.32 -0.01 5.41 0.00 0.53 -4.13 120.51 120.47 1wry n ALA 97 Ca -0.18 -0.69 -0.09 0.00 0.00 0.00 0.00 53.44 52.48 1wry n ALA 97 Cb 0.61 -0.29 -0.03 0.00 0.00 0.00 0.00 19.45 19.74 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 5.85 0.51 -0.78 0.00 2.07 -1.33 0.19 116.25 122.76 1wry h VAL 98 Ca -0.12 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.58 1wry h VAL 98 Cb 1.29 0.51 -0.13 0.00 -1.52 0.00 0.00 31.29 31.43 1wry h VAL 98 CO -0.03 0.00 0.04 1.88 0.02 0.00 0.00 177.57 179.47 1wry h TYR 99 N -0.23 0.00 -0.69 1.57 0.05 -1.90 0.55 116.97 116.34 1wry h TYR 99 Ca 0.11 0.06 -0.04 0.00 0.05 0.00 0.00 58.73 58.90 1wry h TYR 99 Cb 0.39 0.12 -0.03 0.00 1.01 0.00 0.00 36.73 38.22 1wry h TYR 99 CO -0.31 -0.24 0.25 0.00 -1.05 0.00 0.00 178.16 176.81 1wry h ALA 100 N 1.72 0.89 0.00 3.88 0.00 -1.43 0.87 119.26 125.19 1wry h ALA 100 Ca 0.43 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1wry h ALA 100 Cb 0.78 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1wry h ALA 100 CO -0.67 0.53 0.00 0.34 0.00 0.00 0.00 179.25 179.45 1wry n PHE 101 N -4.36 0.15 0.40 0.00 7.35 0.16 -1.07 117.46 120.10 1wry n PHE 101 Ca 0.05 0.06 0.05 0.00 -0.76 0.00 0.00 57.45 56.85 1wry n PHE 101 Cb 0.19 -0.60 0.03 0.00 0.35 0.00 0.00 39.48 39.45 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 -1.64 1.68 -0.48 -2.13 4.77 0.50 -4.81 117.00 114.90 1wry n LEU 102 Ca 0.02 -0.95 -0.06 0.00 -0.03 0.00 0.00 56.01 54.99 1wry n LEU 102 Cb 0.14 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 1wry n LEU 102 CO 0.12 0.33 -0.06 0.61 -1.33 0.00 0.00 177.39 177.06 1wry n GLY 103 N 0.61 0.83 2.24 -0.72 0.00 0.37 -4.91 105.19 103.61 1wry n GLY 103 Ca 0.05 -0.46 -0.14 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.71 0.00 -4.51 0.99 4.77 0.27 -4.96 117.00 112.85 1wry n LEU 104 Ca -0.06 -1.20 -0.30 0.00 -0.03 0.00 0.00 56.01 54.41 1wry n LEU 104 Cb 0.26 -0.38 -0.11 0.00 -2.33 0.00 0.00 43.42 40.86 1wry n LEU 104 CO 0.09 -0.80 -0.46 -0.89 -1.33 0.00 0.00 177.39 174.01 1wry s THR 105 N -1.73 3.07 0.16 -5.08 2.01 -1.26 -4.23 115.64 108.58 1wry s THR 105 Ca 0.39 -1.22 -0.03 0.00 0.31 0.00 0.00 61.69 61.13 1wry s THR 105 Cb -0.02 -2.36 -0.05 0.00 0.01 0.00 0.00 72.50 70.08 1wry s THR 105 CO 0.26 0.23 0.38 0.00 -0.69 0.00 0.00 174.62 174.80 1wry s ALA 106 N -1.06 3.81 0.40 7.40 0.00 -1.26 -4.97 121.76 126.07 1wry s ALA 106 Ca 0.17 -0.66 -0.24 0.00 0.00 0.00 0.00 51.96 51.24 1wry s ALA 106 Cb -0.11 -2.08 -0.09 0.00 0.00 0.00 0.00 23.12 20.84 1wry s ALA 106 CO 0.09 0.59 1.06 -1.25 0.00 0.00 0.00 175.76 176.24 1wry s PRO 107 N -2.90 4.15 -1.21 0.00 0.04 -1.26 -4.93 135.00 128.89 1wry s PRO 107 Ca 0.40 1.53 -0.20 0.00 0.04 0.00 0.00 61.00 62.77 1wry s PRO 107 Cb -0.12 -2.54 -0.02 0.00 0.04 0.00 0.00 34.50 31.86 1wry s PRO 107 CO 0.26 -0.16 1.89 -0.35 0.04 0.00 0.00 177.00 178.69 1wry n PRO 108 N -0.09 2.35 0.00 0.56 -0.04 -1.26 -3.23 135.00 133.30 1wry n PRO 108 Ca 0.05 -2.72 0.00 0.00 -0.04 0.00 0.00 63.50 60.79 1wry n PRO 108 Cb 0.49 -3.49 0.00 0.00 -0.04 0.00 0.00 33.50 30.47 1wry n PRO 108 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wry n GLY 109 N 5.28 0.00 3.32 0.55 0.00 -1.26 -5.14 105.19 107.94 1wry n GLY 109 Ca 0.48 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.41 1wry n GLY 109 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wry s SER 110 N 0.00 0.02 0.16 1.61 0.01 -1.20 -5.02 113.70 109.29 1wry s SER 110 Ca 0.00 -0.77 -0.26 0.00 1.31 0.00 0.00 55.95 56.23 1wry s SER 110 Cb 0.00 0.43 0.02 0.00 0.21 0.00 0.00 66.02 66.68 1wry s SER 110 CO 0.00 -0.87 1.57 0.50 0.41 0.00 0.00 173.24 174.85 1wry h LYS 111 N 2.55 -0.25 -1.34 12.44 1.63 -1.95 1.03 116.57 130.69 1wry h LYS 111 Ca -0.32 0.02 0.40 0.00 -0.85 0.00 0.00 60.65 59.89 1wry h LYS 111 Cb 1.23 0.06 -0.09 0.00 -0.60 0.00 0.00 32.23 32.83 1wry h LYS 111 CO 0.49 -0.17 0.91 0.93 -3.45 0.00 0.00 179.45 178.17 1wry h GLU 112 N -0.26 0.11 0.03 1.90 3.07 -1.92 1.69 114.58 119.19 1wry h GLU 112 Ca 0.16 -0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 58.94 1wry h GLU 112 Cb 0.57 -0.02 0.01 0.00 -0.84 0.00 0.00 28.75 28.46 1wry h GLU 112 CO -0.65 0.07 -0.31 0.00 -1.40 0.00 0.00 179.01 176.72 1wry h ALA 113 N 1.44 0.00 -2.08 3.43 0.00 0.71 -3.41 119.26 119.35 1wry h ALA 113 Ca 0.72 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1wry h ALA 113 Cb 2.46 0.03 0.00 0.00 0.00 0.00 0.00 17.79 20.28 1wry h ALA 113 CO -0.20 0.13 0.00 0.39 0.00 0.00 0.00 179.25 179.57 1wry n GLU 114 N -4.45 0.00 -2.67 0.00 1.02 0.22 -4.98 120.64 109.78 1wry n GLU 114 Ca -0.11 0.15 -0.12 0.00 -0.02 0.00 0.00 57.16 57.06 1wry n GLU 114 Cb 0.56 -0.66 0.01 0.00 -0.02 0.00 0.00 31.44 31.33 1wry n GLU 114 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1wry n VAL 115 N -0.96 -2.06 -0.34 2.62 3.14 0.51 -4.75 118.33 116.49 1wry n VAL 115 Ca 0.00 0.24 -0.11 0.00 -2.96 0.00 0.00 64.34 61.52 1wry n VAL 115 Cb 0.00 -2.41 -0.09 0.00 -1.06 0.00 0.00 33.84 30.29 1wry n VAL 115 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1wry h SER 116 N 2.39 -2.01 0.00 6.55 0.02 -1.94 -3.46 113.55 115.11 1wry h SER 116 Ca -0.18 0.30 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1wry h SER 116 Cb 0.88 0.88 0.00 0.00 0.14 0.00 0.00 62.40 64.30 1wry h SER 116 CO 0.07 -0.28 0.00 0.61 -1.14 0.00 0.00 176.83 176.09 1wry n GLY 117 N -1.31 2.25 3.79 -3.77 0.00 -1.26 -5.17 105.19 99.73 1wry n GLY 117 Ca 0.01 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 1wry n GLY 117 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wry s PRO 118 N -2.00 1.38 -0.38 1.61 0.04 -1.26 -5.05 135.00 129.34 1wry s PRO 118 Ca 0.00 0.38 0.01 0.00 0.04 0.00 0.00 61.00 61.43 1wry s PRO 118 Cb 0.00 -1.86 0.13 0.00 0.04 0.00 0.00 34.50 32.81 1wry s PRO 118 CO 0.00 -2.05 0.20 0.45 0.04 0.00 0.00 177.00 175.64 1wry s SER 119 N -3.99 3.48 -0.29 6.66 0.15 -1.26 -5.08 113.70 113.37 1wry s SER 119 Ca 0.63 -2.26 -0.20 0.00 0.70 0.00 0.00 55.95 54.82 1wry s SER 119 Cb -0.15 -0.76 0.16 0.00 -1.71 0.00 0.00 66.02 63.56 1wry s SER 119 CO 0.54 -0.31 1.10 -0.94 1.20 0.00 0.00 173.24 174.83 1wry s SER 120 N 0.87 -0.35 0.00 5.45 1.04 -1.26 -5.23 113.70 114.22 1wry s SER 120 Ca 0.16 0.61 0.00 0.00 0.48 0.00 0.00 55.95 57.20 1wry s SER 120 Cb -0.23 0.94 0.00 0.00 0.10 0.00 0.00 66.02 66.84 1wry s SER 120 CO -0.05 -0.10 0.19 0.61 0.98 0.00 0.00 173.24 174.87