#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ypr n TRP 2 N 0.00 0.00 0.20 1.43 8.01 -1.26 -4.73 117.44 121.10 1ypr n TRP 2 Ca 0.00 0.00 0.10 0.00 -1.31 0.00 0.00 57.50 56.29 1ypr n TRP 2 Cb 0.00 0.00 0.65 0.00 -2.01 0.00 0.00 31.31 29.95 1ypr n TRP 2 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.69 177.05 1ypr h GLN 3 N 0.00 0.01 -0.88 -0.99 5.75 -1.98 -2.42 115.11 114.60 1ypr h GLN 3 Ca 0.00 -0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.51 1ypr h GLN 3 Cb 0.00 -0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.50 1ypr h GLN 3 CO 0.00 0.01 0.58 0.00 -2.65 0.00 0.00 178.83 176.77 1ypr h ALA 4 N 1.94 1.12 -0.55 3.38 0.00 -1.97 -2.33 119.26 120.86 1ypr h ALA 4 Ca 0.05 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.99 1ypr h ALA 4 Cb 0.19 -0.35 -0.07 0.00 0.00 0.00 0.00 17.79 17.57 1ypr h ALA 4 CO -0.00 0.50 0.18 1.88 0.00 0.00 0.00 179.25 181.80 1ypr h TYR 5 N 1.17 0.31 0.02 0.00 0.05 -1.77 0.19 116.97 116.94 1ypr h TYR 5 Ca 0.33 0.03 -0.21 0.00 0.05 0.00 0.00 58.73 58.93 1ypr h TYR 5 Cb -0.11 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 37.55 1ypr h TYR 5 CO -0.01 0.07 -0.96 1.79 -1.05 0.00 0.00 178.16 178.00 1ypr h THR 6 N 0.35 1.60 -0.37 -2.88 1.35 -1.65 -2.86 112.91 108.45 1ypr h THR 6 Ca 0.27 -3.03 -0.08 0.00 -0.55 0.00 0.00 66.41 63.02 1ypr h THR 6 Cb 0.33 2.69 -0.02 0.00 -1.73 0.00 0.00 68.15 69.43 1ypr h THR 6 CO -0.29 0.87 -0.11 0.44 -0.25 0.00 0.00 175.52 176.18 1ypr h ASP 7 N 0.04 0.64 -0.16 5.36 3.32 -0.83 -2.24 116.42 122.54 1ypr h ASP 7 Ca -0.04 -0.18 -0.10 0.00 0.02 0.00 0.00 57.03 56.74 1ypr h ASP 7 Cb 1.66 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 41.02 1ypr h ASP 7 CO 0.14 0.78 -0.22 0.78 -1.72 0.00 0.00 179.24 178.99 1ypr h ASN 8 N 0.60 0.61 0.63 6.45 2.35 -0.62 -0.20 115.58 125.40 1ypr h ASN 8 Ca 0.11 -0.21 -0.03 0.00 -0.55 0.00 0.00 56.30 55.62 1ypr h ASN 8 Cb 0.54 -0.17 0.01 0.00 0.05 0.00 0.00 38.32 38.75 1ypr h ASN 8 CO 0.03 0.83 -0.30 -0.07 -1.65 0.00 0.00 177.43 176.26 1ypr h LEU 9 N 0.53 -0.72 -1.74 1.61 3.38 -1.22 -3.13 115.31 114.01 1ypr h LEU 9 Ca 0.08 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1ypr h LEU 9 Cb 0.68 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1ypr h LEU 9 CO 0.05 -0.40 -0.17 0.16 0.09 0.00 0.00 178.44 178.18 1ypr h ILE 10 N -1.05 0.77 0.00 1.22 3.07 -1.37 -2.09 117.51 118.07 1ypr h ILE 10 Ca -0.09 -0.67 0.00 0.00 1.55 0.00 0.00 64.86 65.66 1ypr h ILE 10 Cb 0.70 1.40 0.00 0.00 -0.27 0.00 0.00 36.82 38.65 1ypr h ILE 10 CO 0.14 0.16 0.00 1.23 -1.05 0.00 0.00 178.15 178.64 1ypr h GLY 11 N 0.87 0.00 1.19 0.16 0.00 -0.97 -0.92 103.07 103.40 1ypr h GLY 11 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ypr h GLY 11 CO 0.02 0.00 -0.45 -1.30 0.00 0.00 0.00 176.54 174.81 1ypr n THR 12 N -2.44 0.10 -0.39 4.70 -2.24 -0.78 -4.94 114.28 108.28 1ypr n THR 12 Ca -0.00 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1ypr n THR 12 Cb 0.14 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 1ypr n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ypr n GLY 13 N 1.46 1.85 0.10 3.38 0.00 -0.35 -4.84 105.19 106.78 1ypr n GLY 13 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.19 1ypr n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ypr h LYS 14 N 2.07 0.00 -4.26 1.61 1.57 -1.81 -3.44 116.57 112.32 1ypr h LYS 14 Ca 0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.41 1ypr h LYS 14 Cb 0.00 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 32.00 1ypr h LYS 14 CO 0.00 0.00 -0.77 0.08 -0.57 0.00 0.00 179.45 178.19 1ypr s VAL 15 N -3.17 0.51 -0.17 0.50 1.01 -1.26 -4.48 120.40 113.34 1ypr s VAL 15 Ca 0.07 -0.20 0.15 0.00 0.00 0.00 0.00 61.98 62.00 1ypr s VAL 15 Cb 0.12 -0.48 -0.22 0.00 0.00 0.00 0.00 36.38 35.79 1ypr s VAL 15 CO 0.68 0.18 0.40 -0.90 0.00 0.00 0.00 175.10 175.46 1ypr n ASP 16 N 3.42 1.32 -3.77 3.32 5.75 -0.55 -4.02 116.55 122.02 1ypr n ASP 16 Ca -0.19 -0.18 -0.13 0.00 -0.01 0.00 0.00 54.79 54.28 1ypr n ASP 16 Cb 0.54 1.55 -0.13 0.00 -1.03 0.00 0.00 41.12 42.06 1ypr n ASP 16 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1ypr s LYS 17 N -2.92 0.19 -0.05 0.11 1.02 -1.21 -4.24 119.74 112.63 1ypr s LYS 17 Ca -0.03 0.36 -0.23 0.00 0.02 0.00 0.00 55.97 56.09 1ypr s LYS 17 Cb 0.10 -0.02 0.05 0.00 -0.52 0.00 0.00 37.83 37.44 1ypr s LYS 17 CO 0.63 -0.09 0.50 0.00 -0.92 0.00 0.00 175.35 175.47 1ypr s ALA 18 N 0.64 -1.29 -0.04 5.17 0.00 -0.38 -0.56 121.76 125.31 1ypr s ALA 18 Ca -0.04 0.90 -0.04 0.00 0.00 0.00 0.00 51.96 52.77 1ypr s ALA 18 Cb -0.06 -0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.01 1ypr s ALA 18 CO -0.03 -0.31 0.12 0.08 0.00 0.00 0.00 175.76 175.61 1ypr s VAL 19 N -1.10 0.01 -0.20 0.00 1.01 -0.32 -0.98 120.40 118.82 1ypr s VAL 19 Ca -0.11 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.74 1ypr s VAL 19 Cb -0.03 -0.21 -0.00 0.00 0.00 0.00 0.00 36.38 36.14 1ypr s VAL 19 CO 0.07 -0.06 -0.10 -0.63 0.00 0.00 0.00 175.10 174.37 1ypr s ILE 20 N -0.16 2.91 0.23 2.22 1.01 -0.03 -0.85 121.20 126.54 1ypr s ILE 20 Ca -0.02 -0.66 0.07 0.00 0.00 0.00 0.00 60.65 60.04 1ypr s ILE 20 Cb -0.02 -2.29 -0.04 0.00 0.01 0.00 0.00 42.46 40.13 1ypr s ILE 20 CO 0.00 0.47 0.11 -0.31 0.00 0.00 0.00 174.94 175.21 1ypr s TYR 21 N 1.28 2.97 0.74 3.97 1.51 0.14 -0.25 117.35 127.71 1ypr s TYR 21 Ca 0.03 -0.13 -0.12 0.00 -1.01 0.00 0.00 57.07 55.84 1ypr s TYR 21 Cb -0.14 -1.36 0.04 0.00 -0.11 0.00 0.00 41.96 40.39 1ypr s TYR 21 CO -0.05 0.55 1.11 -1.54 -1.11 0.00 0.00 175.55 174.51 1ypr s SER 22 N -3.55 4.52 0.65 2.29 1.04 0.07 -0.43 113.70 118.29 1ypr s SER 22 Ca 0.31 1.97 0.29 0.00 0.48 0.00 0.00 55.95 59.00 1ypr s SER 22 Cb -0.08 -2.54 1.55 0.00 0.10 0.00 0.00 66.02 65.05 1ypr s SER 22 CO 0.22 -2.03 1.89 -0.09 0.98 0.00 0.00 173.24 174.22 1ypr h ARG 23 N -0.72 0.00 -0.23 4.02 2.43 -1.06 0.86 114.38 119.68 1ypr h ARG 23 Ca -0.45 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1ypr h ARG 23 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1ypr h ARG 23 CO 0.51 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.97 1ypr n ALA 24 N -2.00 2.44 -1.02 2.80 0.00 -1.26 -4.86 120.51 116.61 1ypr n ALA 24 Ca 0.01 -0.86 -0.01 0.00 0.00 0.00 0.00 53.44 52.57 1ypr n ALA 24 Cb 0.46 -0.83 -0.00 0.00 0.00 0.00 0.00 19.45 19.08 1ypr n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ypr n GLY 25 N 1.41 0.31 0.03 0.00 0.00 0.30 -4.87 105.19 102.36 1ypr n GLY 25 Ca 0.17 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.28 1ypr n GLY 25 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ypr n ASP 26 N -0.47 0.41 -3.73 1.61 5.68 -1.26 -4.90 116.55 113.88 1ypr n ASP 26 Ca -0.01 -0.14 -0.13 0.00 -0.50 0.00 0.00 54.79 54.01 1ypr n ASP 26 Cb 0.27 0.01 -0.09 0.00 -1.14 0.00 0.00 41.12 40.17 1ypr n ASP 26 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ypr s ALA 27 N -2.91 -0.96 -0.22 2.12 0.00 -1.26 -5.02 121.76 113.51 1ypr s ALA 27 Ca 0.15 0.83 -0.11 0.00 0.00 0.00 0.00 51.96 52.83 1ypr s ALA 27 Cb 0.18 -0.33 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 1ypr s ALA 27 CO 0.62 -0.23 0.18 0.08 0.00 0.00 0.00 175.76 176.41 1ypr s VAL 28 N -0.46 5.35 -0.27 0.00 1.01 -1.26 -0.75 120.40 124.02 1ypr s VAL 28 Ca -0.06 0.25 0.22 0.00 0.00 0.00 0.00 61.98 62.39 1ypr s VAL 28 Cb -0.04 -3.52 -0.29 0.00 0.00 0.00 0.00 36.38 32.54 1ypr s VAL 28 CO 0.03 0.36 0.63 0.79 0.00 0.00 0.00 175.10 176.91 1ypr n TRP 29 N 4.09 0.07 -3.60 5.22 7.02 0.65 -4.98 117.44 125.91 1ypr n TRP 29 Ca -0.14 0.02 -0.09 0.00 -1.02 0.00 0.00 57.50 56.27 1ypr n TRP 29 Cb 0.52 -0.42 -0.05 0.00 -2.42 0.00 0.00 31.31 28.94 1ypr n TRP 29 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ypr s ALA 30 N -3.39 -1.98 -0.10 6.99 0.00 -1.19 -4.31 121.76 117.78 1ypr s ALA 30 Ca -0.04 1.68 -0.08 0.00 0.00 0.00 0.00 51.96 53.53 1ypr s ALA 30 Cb 0.14 -1.01 0.03 0.00 0.00 0.00 0.00 23.12 22.29 1ypr s ALA 30 CO 0.89 -0.28 0.26 0.99 0.00 0.00 0.00 175.76 177.62 1ypr s THR 31 N -0.82 -0.01 -0.03 0.00 2.01 -1.26 -0.85 115.64 114.67 1ypr s THR 31 Ca 0.01 0.05 -0.05 0.00 0.31 0.00 0.00 61.69 62.01 1ypr s THR 31 Cb -0.01 -0.38 0.01 0.00 0.01 0.00 0.00 72.50 72.12 1ypr s THR 31 CO -0.02 0.02 0.13 -0.44 -0.69 0.00 0.00 174.62 173.62 1ypr s SER 32 N 0.58 -0.08 0.00 3.53 0.01 -0.16 -4.85 113.70 112.73 1ypr s SER 32 Ca -0.04 0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.33 1ypr s SER 32 Cb -0.05 0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.43 1ypr s SER 32 CO -0.03 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.08 1ypr n GLY 33 N 2.54 0.84 2.26 3.44 0.00 -1.26 -1.25 105.19 111.76 1ypr n GLY 33 Ca -0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 1ypr n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ypr n GLY 34 N -2.20 0.08 3.76 -0.02 0.00 -1.26 -4.77 105.19 100.78 1ypr n GLY 34 Ca 0.00 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.20 1ypr n GLY 34 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ypr s LEU 35 N -3.06 4.54 -0.14 0.99 2.96 -1.26 -5.05 118.68 117.66 1ypr s LEU 35 Ca 0.09 1.63 -0.05 0.00 -0.22 0.00 0.00 54.13 55.57 1ypr s LEU 35 Cb -0.04 -3.35 0.07 0.00 0.50 0.00 0.00 46.19 43.37 1ypr s LEU 35 CO 0.11 0.10 0.29 -0.94 -1.32 0.00 0.00 176.35 174.59 1ypr s SER 36 N -0.60 0.10 -0.07 3.68 1.04 -1.26 -4.89 113.70 111.70 1ypr s SER 36 Ca 0.39 0.67 -0.02 0.00 0.48 0.00 0.00 55.95 57.47 1ypr s SER 36 Cb -0.22 0.76 -0.04 0.00 0.10 0.00 0.00 66.02 66.62 1ypr s SER 36 CO 0.26 -0.22 0.03 -0.76 0.98 0.00 0.00 173.24 173.53 1ypr s LEU 37 N 2.19 3.71 0.53 2.42 1.43 -1.26 -4.51 118.68 123.19 1ypr s LEU 37 Ca -0.02 0.16 -0.22 0.00 -1.03 0.00 0.00 54.13 53.03 1ypr s LEU 37 Cb -0.11 -1.94 -0.05 0.00 0.03 0.00 0.00 46.19 44.11 1ypr s LEU 37 CO -0.09 0.35 1.30 -1.58 0.23 0.00 0.00 176.35 176.56 1ypr s GLN 38 N -1.12 3.27 0.57 1.70 2.00 -1.26 -4.71 119.66 120.12 1ypr s GLN 38 Ca 0.16 2.10 0.29 0.00 -2.00 0.00 0.00 55.36 55.91 1ypr s GLN 38 Cb -0.12 -2.27 1.48 0.00 0.80 0.00 0.00 33.01 32.90 1ypr s GLN 38 CO 0.05 -1.04 1.92 -1.00 -0.50 0.00 0.00 175.29 174.72 1ypr h PRO 39 N 1.56 0.00 0.16 1.67 0.13 -1.98 0.11 132.00 133.66 1ypr h PRO 39 Ca -0.50 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.37 1ypr h PRO 39 Cb 1.29 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.44 1ypr h PRO 39 CO 0.58 0.00 -1.21 -2.95 -0.23 0.00 0.00 178.00 174.19 1ypr h ASN 40 N 0.00 0.54 -0.10 1.44 7.08 -1.98 -2.82 115.58 119.74 1ypr h ASN 40 Ca 0.25 -0.92 0.01 0.00 -3.08 0.00 0.00 56.30 52.56 1ypr h ASN 40 Cb 1.22 -0.18 -0.01 0.00 -2.08 0.00 0.00 38.32 37.28 1ypr h ASN 40 CO -0.00 1.56 0.05 -0.33 -2.08 0.00 0.00 177.43 176.62 1ypr h GLU 41 N -0.20 0.10 -0.82 4.14 5.08 -1.20 0.77 114.58 122.45 1ypr h GLU 41 Ca -0.23 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.09 1ypr h GLU 41 Cb 1.83 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 31.02 1ypr h GLU 41 CO 0.15 0.07 0.37 0.97 -1.00 0.00 0.00 179.01 179.57 1ypr h ILE 42 N 0.10 1.26 -0.70 3.13 6.09 -1.12 -2.06 117.51 124.22 1ypr h ILE 42 Ca 0.04 -0.77 0.01 0.00 -1.37 0.00 0.00 64.86 62.78 1ypr h ILE 42 Cb 0.01 0.24 -0.04 0.00 0.47 0.00 0.00 36.82 37.50 1ypr h ILE 42 CO -0.03 0.32 0.46 1.23 -3.07 0.00 0.00 178.15 177.07 1ypr h GLY 43 N 1.18 0.98 0.68 8.18 0.00 -1.11 0.60 103.07 113.58 1ypr h GLY 43 Ca 0.28 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 1ypr h GLY 43 CO -0.03 0.34 -0.01 0.83 0.00 0.00 0.00 176.54 177.67 1ypr h GLU 44 N 0.92 0.07 -0.06 4.80 4.39 -0.21 -0.71 114.58 123.77 1ypr h GLU 44 Ca 0.26 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.84 1ypr h GLU 44 Cb -0.06 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 1ypr h GLU 44 CO -0.06 0.40 -0.43 -0.84 -1.16 0.00 0.00 179.01 176.91 1ypr h ILE 45 N -0.26 1.32 -0.24 3.13 -0.00 -1.03 -0.10 117.51 120.34 1ypr h ILE 45 Ca 0.01 -1.54 -0.07 0.00 -0.00 0.00 0.00 64.86 63.26 1ypr h ILE 45 Cb 0.37 1.75 -0.01 0.00 -0.00 0.00 0.00 36.82 38.93 1ypr h ILE 45 CO 0.00 0.45 -0.13 0.58 -0.00 0.00 0.00 178.15 179.06 1ypr h VAL 46 N 0.12 1.30 -0.41 0.16 2.07 -0.82 -2.64 116.25 116.03 1ypr h VAL 46 Ca 0.01 -1.22 -0.06 0.00 0.82 0.00 0.00 66.70 66.25 1ypr h VAL 46 Cb 0.81 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 1ypr h VAL 46 CO 0.06 0.38 -0.01 1.56 0.02 0.00 0.00 177.57 179.58 1ypr h GLN 47 N 0.22 0.66 -1.02 1.57 1.08 -1.02 -3.18 115.11 113.43 1ypr h GLN 47 Ca 0.05 -0.17 0.25 0.00 -1.45 0.00 0.00 58.65 57.34 1ypr h GLN 47 Cb 0.64 -0.08 -0.09 0.00 -0.05 0.00 0.00 27.48 27.89 1ypr h GLN 47 CO 0.04 0.69 0.65 0.78 -0.95 0.00 0.00 178.83 180.04 1ypr h GLY 48 N 0.93 1.23 1.95 3.46 0.00 -0.63 -1.30 103.07 108.70 1ypr h GLY 48 Ca 0.13 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 1ypr h GLY 48 CO 0.02 -0.11 -0.11 0.74 0.00 0.00 0.00 176.54 177.07 1ypr h PHE 49 N 0.43 0.06 0.02 5.60 0.04 -1.52 -2.97 116.94 118.61 1ypr h PHE 49 Ca 0.58 -0.00 -0.28 0.00 2.80 0.00 0.00 57.97 61.06 1ypr h PHE 49 Cb 1.40 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 39.49 1ypr h PHE 49 CO -0.00 0.17 -1.56 -0.25 -0.60 0.00 0.00 178.31 176.07 1ypr n ASP 50 N -4.37 1.92 -3.92 2.17 8.00 -0.58 -3.96 116.55 115.80 1ypr n ASP 50 Ca -0.02 0.36 -0.30 0.00 0.71 0.00 0.00 54.79 55.54 1ypr n ASP 50 Cb 0.20 -0.92 -0.14 0.00 -0.02 0.00 0.00 41.12 40.24 1ypr n ASP 50 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1ypr s ASN 51 N -6.95 4.36 0.31 -2.24 2.47 -0.65 -5.00 114.94 107.23 1ypr s ASN 51 Ca -0.29 -2.53 0.03 0.00 0.42 0.00 0.00 52.86 50.49 1ypr s ASN 51 Cb 0.07 -1.48 0.62 0.00 -1.45 0.00 0.00 41.25 39.01 1ypr s ASN 51 CO 0.61 -0.31 1.88 -0.65 -3.72 0.00 0.00 177.10 174.91 1ypr h PRO 52 N 7.07 0.89 -0.21 0.43 0.11 -1.80 -3.37 132.00 135.12 1ypr h PRO 52 Ca -0.06 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 66.01 1ypr h PRO 52 Cb 0.95 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.84 1ypr h PRO 52 CO 0.58 0.59 -0.12 0.00 -0.21 0.00 0.00 178.00 178.84 1ypr n ALA 53 N -2.39 -0.13 0.06 -0.75 0.00 -1.26 -0.72 120.51 115.31 1ypr n ALA 53 Ca 0.16 0.18 0.08 0.00 0.00 0.00 0.00 53.44 53.86 1ypr n ALA 53 Cb 0.32 -0.02 0.52 0.00 0.00 0.00 0.00 19.45 20.27 1ypr n ALA 53 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1ypr h GLY 54 N 0.00 0.38 1.74 0.00 0.00 -1.98 -1.94 103.07 101.26 1ypr h GLY 54 Ca 0.03 -0.13 -0.25 0.00 0.00 0.00 0.00 47.33 46.98 1ypr h GLY 54 CO -0.20 0.12 -1.17 1.41 0.00 0.00 0.00 176.54 176.69 1ypr h LEU 55 N 0.33 0.25 -0.48 3.11 3.38 -1.21 -2.12 115.31 118.58 1ypr h LEU 55 Ca 0.14 -0.28 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 1ypr h LEU 55 Cb 0.14 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1ypr h LEU 55 CO -0.03 1.22 -0.11 1.56 0.09 0.00 0.00 178.44 181.17 1ypr h GLN 56 N 0.04 0.92 -0.01 1.13 4.20 -0.99 0.43 115.11 120.83 1ypr h GLN 56 Ca -0.10 -0.35 -0.11 0.00 0.06 0.00 0.00 58.65 58.16 1ypr h GLN 56 Cb 1.90 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 29.63 1ypr h GLN 56 CO 0.17 1.00 -0.43 0.77 -0.67 0.00 0.00 178.83 179.68 1ypr h SER 57 N 0.77 0.40 0.29 1.46 0.02 -1.45 -3.37 113.55 111.66 1ypr h SER 57 Ca 0.12 -0.75 -0.06 0.00 -0.84 0.00 0.00 61.79 60.26 1ypr h SER 57 Cb 0.66 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 1ypr h SER 57 CO 0.05 1.09 -1.77 0.59 -1.14 0.00 0.00 176.83 175.65 1ypr n ASN 58 N -4.36 0.28 0.00 3.07 3.02 -0.80 -5.10 115.26 111.37 1ypr n ASN 58 Ca -0.10 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1ypr n ASN 58 Cb 0.58 1.34 0.00 0.00 -0.61 0.00 0.00 39.78 41.10 1ypr n ASN 58 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ypr n GLY 59 N 1.32 0.09 3.75 7.41 0.00 0.15 -4.94 105.19 112.97 1ypr n GLY 59 Ca -0.07 -1.77 -0.40 0.00 0.00 0.00 0.00 46.02 43.78 1ypr n GLY 59 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ypr s LEU 60 N -1.89 4.46 -0.27 0.99 0.20 -0.13 -4.71 118.68 117.34 1ypr s LEU 60 Ca 0.00 1.49 0.01 0.00 0.69 0.00 0.00 54.13 56.32 1ypr s LEU 60 Cb 0.00 -3.26 0.07 0.00 -0.43 0.00 0.00 46.19 42.57 1ypr s LEU 60 CO 0.00 0.02 -0.02 -1.00 -0.29 0.00 0.00 176.35 175.06 1ypr s HIS 61 N -0.13 2.63 -0.20 5.38 3.76 -1.26 0.13 115.29 125.60 1ypr s HIS 61 Ca 0.39 -2.04 -0.02 0.00 -0.15 0.00 0.00 55.06 53.24 1ypr s HIS 61 Cb -0.21 -1.88 -0.00 0.00 1.11 0.00 0.00 32.58 31.60 1ypr s HIS 61 CO 0.24 -0.83 -0.09 0.42 -0.85 0.00 0.00 174.74 173.63 1ypr s ILE 62 N 1.31 3.04 -1.30 0.60 1.09 -0.94 -4.77 121.20 120.23 1ypr s ILE 62 Ca -0.01 -0.61 -0.04 0.00 -1.10 0.00 0.00 60.65 58.89 1ypr s ILE 62 Cb -0.19 -2.35 0.04 0.00 -1.06 0.00 0.00 42.46 38.90 1ypr s ILE 62 CO -0.09 0.47 0.09 0.00 -0.10 0.00 0.00 174.94 175.31 1ypr n GLN 63 N 4.53 -0.92 0.00 2.79 10.64 -1.26 -1.96 117.38 131.20 1ypr n GLN 63 Ca -0.19 0.08 0.00 0.00 -1.83 0.00 0.00 57.00 55.06 1ypr n GLN 63 Cb 0.51 -3.06 0.00 0.00 -0.86 0.00 0.00 30.24 26.83 1ypr n GLN 63 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1ypr n GLY 64 N -2.03 2.66 3.53 2.61 0.00 -1.26 -5.06 105.19 105.65 1ypr n GLY 64 Ca -0.20 -0.68 -0.38 0.00 0.00 0.00 0.00 46.02 44.77 1ypr n GLY 64 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ypr n GLN 65 N 0.00 0.62 -4.51 1.61 1.13 -0.83 -4.97 117.38 110.43 1ypr n GLN 65 Ca 0.00 0.25 -0.33 0.00 -1.94 0.00 0.00 57.00 54.97 1ypr n GLN 65 Cb 0.00 -1.91 -0.13 0.00 0.11 0.00 0.00 30.24 28.31 1ypr n GLN 65 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 1ypr s LYS 66 N -2.48 3.56 0.01 -1.09 2.20 -1.26 -2.22 119.74 118.46 1ypr s LYS 66 Ca 0.72 -0.58 0.08 0.00 -0.36 0.00 0.00 55.97 55.82 1ypr s LYS 66 Cb -0.42 -2.82 -0.03 0.00 -1.51 0.00 0.00 37.83 33.05 1ypr s LYS 66 CO 0.51 0.21 -0.23 -0.06 -0.36 0.00 0.00 175.35 175.42 1ypr s PHE 67 N 0.41 2.41 0.08 4.03 0.40 0.12 -4.77 117.98 120.66 1ypr s PHE 67 Ca -0.06 -0.37 -0.29 0.00 -0.60 0.00 0.00 56.93 55.62 1ypr s PHE 67 Cb -0.15 -1.47 -0.05 0.00 0.51 0.00 0.00 43.02 41.86 1ypr s PHE 67 CO 0.04 0.09 0.92 1.41 0.70 0.00 0.00 175.22 178.38 1ypr s MET 68 N -0.98 4.63 -0.07 0.44 -2.45 0.49 -0.95 119.30 120.41 1ypr s MET 68 Ca 0.12 1.35 -0.30 0.00 -1.25 0.00 0.00 55.69 55.61 1ypr s MET 68 Cb -0.10 -3.39 -0.02 0.00 1.25 0.00 0.00 34.83 32.57 1ypr s MET 68 CO 0.01 0.19 1.10 -1.17 1.05 0.00 0.00 175.02 176.20 1ypr s LEU 69 N 0.15 4.27 -0.20 4.11 2.96 -1.26 -0.49 118.68 128.23 1ypr s LEU 69 Ca 0.46 1.69 0.13 0.00 -0.22 0.00 0.00 54.13 56.18 1ypr s LEU 69 Cb -0.22 -3.56 -0.21 0.00 0.50 0.00 0.00 46.19 42.70 1ypr s LEU 69 CO 0.28 -0.50 -0.01 0.18 -1.32 0.00 0.00 176.35 174.98 1ypr n LEU 70 N 5.01 0.78 -3.72 -0.68 4.77 0.21 -4.96 117.00 118.41 1ypr n LEU 70 Ca 0.10 -0.03 -0.14 0.00 -0.03 0.00 0.00 56.01 55.90 1ypr n LEU 70 Cb 0.48 0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.61 1ypr n LEU 70 CO 0.54 0.57 0.10 -0.60 -1.33 0.00 0.00 177.39 176.66 1ypr s ARG 71 N -2.45 0.75 -0.33 3.23 3.52 -1.23 -4.99 118.95 117.45 1ypr s ARG 71 Ca -0.15 -0.14 0.00 0.00 -0.13 0.00 0.00 55.73 55.31 1ypr s ARG 71 Cb 0.06 0.34 0.19 0.00 -1.56 0.00 0.00 34.95 33.98 1ypr s ARG 71 CO 0.70 -0.22 0.77 0.00 -0.81 0.00 0.00 175.30 175.75 1ypr s ALA 72 N -1.40 -3.08 0.00 6.12 0.00 -1.24 -1.69 121.76 120.48 1ypr s ALA 72 Ca -0.13 0.95 0.00 0.00 0.00 0.00 0.00 51.96 52.79 1ypr s ALA 72 Cb -0.04 -2.73 0.00 0.00 0.00 0.00 0.00 23.12 20.35 1ypr s ALA 72 CO 0.05 -2.09 0.00 -0.40 0.00 0.00 0.00 175.76 173.32 1ypr n ASP 73 N 4.85 1.98 0.25 0.00 5.68 -0.39 -4.93 116.55 123.99 1ypr n ASP 73 Ca 0.08 -0.69 0.11 0.00 -0.50 0.00 0.00 54.79 53.78 1ypr n ASP 73 Cb 0.57 0.00 0.64 0.00 -1.14 0.00 0.00 41.12 41.19 1ypr n ASP 73 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 1ypr h ASP 74 N 0.00 0.00 0.00 -1.12 2.03 -1.95 -3.30 116.42 112.09 1ypr h ASP 74 Ca 0.00 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.17 1ypr h ASP 74 Cb 0.00 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.47 1ypr h ASP 74 CO 0.00 0.16 -1.68 -2.11 -1.03 0.00 0.00 179.24 174.58 1ypr n ARG 75 N -3.68 1.60 -4.57 4.15 -4.01 -1.26 -4.75 116.66 104.14 1ypr n ARG 75 Ca -0.02 -0.04 -0.22 0.00 -1.04 0.00 0.00 57.85 56.54 1ypr n ARG 75 Cb 0.28 -1.28 -0.15 0.00 -3.04 0.00 0.00 32.46 28.27 1ypr n ARG 75 CO 0.00 0.00 0.00 -1.12 -3.04 0.00 0.00 177.63 173.47 1ypr s SER 76 N -4.01 1.54 -0.09 2.89 0.01 -1.24 0.07 113.70 112.86 1ypr s SER 76 Ca -0.05 -0.24 -0.00 0.00 1.31 0.00 0.00 55.95 56.97 1ypr s SER 76 Cb 0.05 -0.31 0.02 0.00 0.21 0.00 0.00 66.02 65.99 1ypr s SER 76 CO 0.46 0.12 -0.05 -0.63 0.41 0.00 0.00 173.24 173.55 1ypr s ILE 77 N -0.05 0.80 -0.10 1.44 1.01 0.79 -1.26 121.20 123.83 1ypr s ILE 77 Ca 0.00 -0.17 0.03 0.00 0.00 0.00 0.00 60.65 60.51 1ypr s ILE 77 Cb -0.08 -0.85 -0.01 0.00 0.01 0.00 0.00 42.46 41.53 1ypr s ILE 77 CO 0.00 0.32 -0.19 -0.31 0.00 0.00 0.00 174.94 174.76 1ypr s TYR 78 N 1.62 2.65 0.07 3.97 2.02 -0.68 -0.27 117.35 126.73 1ypr s TYR 78 Ca 0.02 -0.80 0.08 0.00 -0.37 0.00 0.00 57.07 56.01 1ypr s TYR 78 Cb -0.13 -1.74 -0.03 0.00 -0.40 0.00 0.00 41.96 39.66 1ypr s TYR 78 CO -0.06 -0.28 -0.23 0.20 -1.57 0.00 0.00 175.55 173.62 1ypr s GLY 79 N 0.21 1.28 0.01 0.71 0.00 0.36 -0.62 107.32 109.27 1ypr s GLY 79 Ca -0.12 -1.21 0.01 0.00 0.00 0.00 0.00 44.72 43.40 1ypr s GLY 79 CO 0.07 -1.16 -0.04 -1.60 0.00 0.00 0.00 173.10 170.36 1ypr s ARG 80 N -1.52 0.34 -0.42 2.90 3.52 0.36 -1.27 118.95 122.85 1ypr s ARG 80 Ca 0.09 -0.31 0.05 0.00 -0.13 0.00 0.00 55.73 55.42 1ypr s ARG 80 Cb -0.10 -0.23 0.18 0.00 -1.56 0.00 0.00 34.95 33.24 1ypr s ARG 80 CO 0.03 0.06 0.40 1.58 -0.81 0.00 0.00 175.30 176.56 1ypr n HIS 81 N 2.51 -1.30 0.00 5.12 -0.00 -0.22 -0.38 115.22 120.95 1ypr n HIS 81 Ca -0.16 -3.06 0.00 0.00 0.46 0.00 0.00 57.72 54.96 1ypr n HIS 81 Cb 0.57 0.40 0.00 0.00 -0.12 0.00 0.00 29.99 30.84 1ypr n HIS 81 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 1ypr n ASP 82 N 2.77 0.00 -0.04 0.26 8.00 -1.26 -2.64 116.55 123.64 1ypr n ASP 82 Ca 0.28 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.90 1ypr n ASP 82 Cb 0.49 0.00 0.18 0.00 -0.02 0.00 0.00 41.12 41.77 1ypr n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ypr n ALA 83 N 9.04 3.75 -2.77 2.24 0.00 -1.26 -4.90 120.51 126.62 1ypr n ALA 83 Ca 0.00 -0.41 -0.22 0.00 0.00 0.00 0.00 53.44 52.81 1ypr n ALA 83 Cb 0.00 -1.04 -0.04 0.00 0.00 0.00 0.00 19.45 18.37 1ypr n ALA 83 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1ypr s GLU 84 N -2.94 2.92 0.33 0.00 -1.05 -1.08 -3.89 118.70 112.99 1ypr s GLU 84 Ca 0.12 -1.08 -0.18 0.00 -0.15 0.00 0.00 54.97 53.68 1ypr s GLU 84 Cb 0.17 -2.57 0.06 0.00 -0.44 0.00 0.00 34.13 31.35 1ypr s GLU 84 CO 0.71 0.34 0.84 0.20 0.95 0.00 0.00 175.26 178.31 1ypr s GLY 85 N -3.89 0.27 -0.05 -3.83 0.00 -0.95 -1.06 107.32 97.82 1ypr s GLY 85 Ca 0.35 -0.61 0.02 0.00 0.00 0.00 0.00 44.72 44.47 1ypr s GLY 85 CO 0.26 0.31 -0.07 0.14 0.00 0.00 0.00 173.10 173.73 1ypr s VAL 86 N -2.41 0.76 -0.15 1.40 1.01 -0.40 -1.50 120.40 119.12 1ypr s VAL 86 Ca 0.16 -0.26 -0.00 0.00 0.00 0.00 0.00 61.98 61.88 1ypr s VAL 86 Cb -0.05 -0.73 -0.01 0.00 0.00 0.00 0.00 36.38 35.59 1ypr s VAL 86 CO 0.10 0.27 -0.13 -0.69 0.00 0.00 0.00 175.10 174.65 1ypr s VAL 87 N 0.79 2.96 -0.12 2.92 1.01 0.67 -0.48 120.40 128.14 1ypr s VAL 87 Ca -0.13 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.18 1ypr s VAL 87 Cb -0.15 -2.25 0.02 0.00 0.00 0.00 0.00 36.38 34.00 1ypr s VAL 87 CO 0.02 0.51 -0.14 0.00 0.00 0.00 0.00 175.10 175.49 1ypr s VAL 89 N 1.26 1.27 -0.14 0.00 1.01 -0.24 -0.15 120.40 123.41 1ypr s VAL 89 Ca -0.01 -0.99 -0.00 0.00 0.00 0.00 0.00 61.98 60.98 1ypr s VAL 89 Cb -0.14 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.11 1ypr s VAL 89 CO -0.06 0.12 -0.14 -0.60 0.00 0.00 0.00 175.10 174.42 1ypr s ARG 90 N -1.01 3.31 0.00 2.72 3.52 0.11 0.34 118.95 127.95 1ypr s ARG 90 Ca 0.04 -0.71 0.00 0.00 -0.13 0.00 0.00 55.73 54.93 1ypr s ARG 90 Cb -0.08 -2.64 0.00 0.00 -1.56 0.00 0.00 34.95 30.68 1ypr s ARG 90 CO 0.01 0.12 0.00 0.25 -0.81 0.00 0.00 175.30 174.87 1ypr n THR 91 N 3.78 0.00 -0.19 4.11 -2.24 -0.02 -4.79 114.28 114.93 1ypr n THR 91 Ca -0.18 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.53 1ypr n THR 91 Cb 0.52 -0.83 0.09 0.00 -2.10 0.00 0.00 70.33 68.01 1ypr n THR 91 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1ypr h LYS 92 N 0.00 0.99 0.00 -0.78 1.79 -1.85 -3.34 116.57 113.37 1ypr h LYS 92 Ca 0.00 -0.27 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 1ypr h LYS 92 Cb 0.00 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.53 1ypr h LYS 92 CO 0.00 0.93 0.00 1.04 -1.08 0.00 0.00 179.45 180.34 1ypr n GLN 93 N -4.21 0.53 -4.28 3.15 1.13 -0.16 -4.91 117.38 108.63 1ypr n GLN 93 Ca 0.04 -0.32 -0.15 0.00 -1.94 0.00 0.00 57.00 54.63 1ypr n GLN 93 Cb 0.30 -0.80 -0.10 0.00 0.11 0.00 0.00 30.24 29.75 1ypr n GLN 93 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1ypr s THR 94 N -0.17 0.29 -0.16 5.09 -4.23 -1.22 -0.54 115.64 114.71 1ypr s THR 94 Ca 0.00 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.50 1ypr s THR 94 Cb 0.00 -2.56 0.04 0.00 1.34 0.00 0.00 72.50 71.32 1ypr s THR 94 CO 0.00 0.00 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.34 1ypr s VAL 95 N -3.86 1.02 -0.16 2.29 1.01 0.43 -0.84 120.40 120.30 1ypr s VAL 95 Ca 0.38 -0.55 -0.14 0.00 0.00 0.00 0.00 61.98 61.67 1ypr s VAL 95 Cb 0.07 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 35.20 1ypr s VAL 95 CO 0.14 0.14 0.32 -0.63 0.00 0.00 0.00 175.10 175.07 1ypr s ILE 96 N 1.67 5.29 -0.17 2.22 1.01 0.15 -0.68 121.20 130.70 1ypr s ILE 96 Ca 0.01 0.61 0.00 0.00 0.00 0.00 0.00 60.65 61.28 1ypr s ILE 96 Cb -0.15 -3.66 0.03 0.00 0.01 0.00 0.00 42.46 38.69 1ypr s ILE 96 CO -0.08 0.37 -0.12 -0.63 0.00 0.00 0.00 174.94 174.49 1ypr s ILE 97 N 0.54 1.57 0.09 2.92 1.01 -0.03 -1.08 121.20 126.22 1ypr s ILE 97 Ca 0.18 -0.78 0.08 0.00 0.00 0.00 0.00 60.65 60.13 1ypr s ILE 97 Cb -0.13 -1.56 -0.03 0.00 0.01 0.00 0.00 42.46 40.75 1ypr s ILE 97 CO 0.05 0.32 -0.21 0.00 0.00 0.00 0.00 174.94 175.10 1ypr s ALA 98 N 1.46 1.80 -0.05 9.38 0.00 0.96 -1.17 121.76 134.14 1ypr s ALA 98 Ca 0.02 -1.20 0.05 0.00 0.00 0.00 0.00 51.96 50.83 1ypr s ALA 98 Cb -0.14 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 1ypr s ALA 98 CO -0.09 0.37 -0.21 -1.58 0.00 0.00 0.00 175.76 174.24 1ypr s HIS 99 N -1.08 2.08 -0.07 0.00 2.46 0.28 -0.23 115.29 118.74 1ypr s HIS 99 Ca 0.07 -0.62 0.05 0.00 0.47 0.00 0.00 55.06 55.03 1ypr s HIS 99 Cb -0.10 -1.38 -0.01 0.00 -0.13 0.00 0.00 32.58 30.96 1ypr s HIS 99 CO 0.04 -0.20 -0.23 1.52 -2.47 0.00 0.00 174.74 173.40 1ypr s TYR 100 N -0.05 2.51 0.85 3.88 -0.85 -0.56 -1.48 117.35 121.65 1ypr s TYR 100 Ca -0.04 -0.68 -0.11 0.00 -0.52 0.00 0.00 57.07 55.71 1ypr s TYR 100 Cb -0.13 -1.63 0.10 0.00 0.38 0.00 0.00 41.96 40.68 1ypr s TYR 100 CO 0.03 -0.19 1.09 -1.25 -1.52 0.00 0.00 175.55 173.71 1ypr s PRO 101 N -0.13 1.63 0.03 -3.49 0.04 -1.26 -2.23 135.00 129.58 1ypr s PRO 101 Ca -0.04 0.75 0.05 0.00 0.04 0.00 0.00 61.00 61.81 1ypr s PRO 101 Cb -0.14 -1.86 0.24 0.00 0.04 0.00 0.00 34.50 32.78 1ypr s PRO 101 CO 0.04 -1.97 1.16 -0.35 0.04 0.00 0.00 177.00 175.93 1ypr n PRO 102 N -3.69 0.01 0.00 0.56 -0.04 -1.25 -1.87 135.00 128.72 1ypr n PRO 102 Ca 0.07 0.45 0.13 0.00 -0.04 0.00 0.00 63.50 64.11 1ypr n PRO 102 Cb 0.56 -1.54 0.45 0.00 -0.04 0.00 0.00 33.50 32.93 1ypr n PRO 102 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ypr n THR 103 N -1.56 0.00 -5.05 0.52 -2.24 -1.26 -4.84 114.28 99.84 1ypr n THR 103 Ca 0.01 -0.14 -0.32 0.00 -2.27 0.00 0.00 64.05 61.33 1ypr n THR 103 Cb 0.05 0.33 -0.15 0.00 -2.10 0.00 0.00 70.33 68.46 1ypr n THR 103 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1ypr s VAL 104 N -2.39 2.55 0.12 2.28 1.01 -0.78 -5.10 120.40 118.09 1ypr s VAL 104 Ca 0.28 -0.88 -0.30 0.00 0.00 0.00 0.00 61.98 61.08 1ypr s VAL 104 Cb 0.20 -1.99 -0.07 0.00 0.00 0.00 0.00 36.38 34.52 1ypr s VAL 104 CO 0.47 0.56 1.19 -1.10 0.00 0.00 0.00 175.10 176.23 1ypr s GLN 105 N -0.16 4.47 0.29 2.72 -0.21 -1.26 -4.81 119.66 120.70 1ypr s GLN 105 Ca -0.02 1.80 0.02 0.00 0.02 0.00 0.00 55.36 57.18 1ypr s GLN 105 Cb -0.14 -3.30 0.72 0.00 1.00 0.00 0.00 33.01 31.30 1ypr s GLN 105 CO 0.04 -0.16 1.61 0.00 -2.12 0.00 0.00 175.29 174.66 1ypr h ALA 106 N 6.08 1.22 -0.67 6.09 0.00 -1.93 -0.99 119.26 129.06 1ypr h ALA 106 Ca -0.43 0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.81 1ypr h ALA 106 Cb 1.21 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 19.40 1ypr h ALA 106 CO 0.78 -0.53 0.44 0.78 0.00 0.00 0.00 179.25 180.72 1ypr h GLY 107 N 0.10 0.88 0.75 0.00 0.00 -1.99 -0.83 103.07 101.99 1ypr h GLY 107 Ca 0.57 -0.29 -0.13 0.00 0.00 0.00 0.00 47.33 47.48 1ypr h GLY 107 CO -0.76 0.23 -0.49 0.83 0.00 0.00 0.00 176.54 176.34 1ypr h GLU 108 N 0.72 0.39 -0.33 4.80 5.08 -1.57 -2.20 114.58 121.48 1ypr h GLU 108 Ca 0.28 -0.38 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1ypr h GLU 108 Cb 0.20 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1ypr h GLU 108 CO -0.09 1.04 0.20 0.00 -1.00 0.00 0.00 179.01 179.16 1ypr h ALA 109 N 0.36 0.41 -0.48 3.43 0.00 -1.37 -2.45 119.26 119.17 1ypr h ALA 109 Ca -0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1ypr h ALA 109 Cb 1.18 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1ypr h ALA 109 CO 0.10 -0.09 0.31 1.15 0.00 0.00 0.00 179.25 180.71 1ypr h THR 110 N 0.42 1.13 -0.75 0.00 2.02 -1.22 -2.30 112.91 112.21 1ypr h THR 110 Ca 0.12 -0.25 0.02 0.00 0.77 0.00 0.00 66.41 67.07 1ypr h THR 110 Cb -0.00 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 66.81 1ypr h THR 110 CO -0.02 0.13 0.48 0.50 0.37 0.00 0.00 175.52 176.98 1ypr h LYS 111 N 0.64 0.92 -0.67 6.66 3.64 -1.16 -1.32 116.57 125.29 1ypr h LYS 111 Ca 0.17 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.43 1ypr h LYS 111 Cb -0.06 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.53 1ypr h LYS 111 CO -0.04 0.61 0.15 0.97 -2.27 0.00 0.00 179.45 178.87 1ypr h ILE 112 N 0.95 1.26 -0.17 2.00 6.09 -1.18 -1.52 117.51 124.94 1ypr h ILE 112 Ca 0.29 -0.97 -0.22 0.00 -1.37 0.00 0.00 64.86 62.59 1ypr h ILE 112 Cb -0.03 0.58 0.01 0.00 0.47 0.00 0.00 36.82 37.86 1ypr h ILE 112 CO -0.09 0.37 -0.76 0.58 -3.07 0.00 0.00 178.15 175.17 1ypr h VAL 113 N 1.02 1.27 -0.05 2.19 2.07 -1.17 -2.76 116.25 118.83 1ypr h VAL 113 Ca 0.21 -1.95 -0.07 0.00 0.82 0.00 0.00 66.70 65.71 1ypr h VAL 113 Cb 0.38 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 1ypr h VAL 113 CO 0.00 0.62 -0.27 -0.33 0.02 0.00 0.00 177.57 177.61 1ypr h GLU 114 N 0.55 0.08 -0.45 1.57 4.39 -1.08 -2.33 114.58 117.32 1ypr h GLU 114 Ca -0.05 -0.03 -0.13 0.00 0.34 0.00 0.00 59.36 59.50 1ypr h GLU 114 Cb 1.39 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.02 1ypr h GLU 114 CO 0.16 0.36 -0.22 0.37 -1.16 0.00 0.00 179.01 178.52 1ypr h GLN 115 N 0.08 0.94 0.13 2.33 4.15 -1.24 -1.01 115.11 120.49 1ypr h GLN 115 Ca 0.01 -0.41 -0.01 0.00 0.77 0.00 0.00 58.65 59.01 1ypr h GLN 115 Cb 0.53 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.19 1ypr h GLN 115 CO 0.04 1.07 -0.06 1.25 -1.93 0.00 0.00 178.83 179.20 1ypr h LEU 116 N 0.78 -0.15 -0.86 -2.39 6.46 -1.15 -1.62 115.31 116.38 1ypr h LEU 116 Ca 0.10 -0.01 0.10 0.00 -0.12 0.00 0.00 57.88 57.95 1ypr h LEU 116 Cb 0.79 0.04 -0.08 0.00 -0.73 0.00 0.00 40.66 40.68 1ypr h LEU 116 CO 0.07 -0.09 0.50 0.00 -0.62 0.00 0.00 178.44 178.30 1ypr h ALA 117 N 0.67 1.25 -0.28 1.25 0.00 -1.29 0.14 119.26 120.99 1ypr h ALA 117 Ca -0.02 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1ypr h ALA 117 Cb 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1ypr h ALA 117 CO 0.03 0.12 0.12 -0.44 0.00 0.00 0.00 179.25 179.07 1ypr h ASP 118 N 0.83 0.39 0.30 0.00 3.32 -0.86 -0.90 116.42 119.50 1ypr h ASP 118 Ca 0.42 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 1ypr h ASP 118 Cb 0.40 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1ypr h ASP 118 CO -0.26 0.44 -0.21 0.22 -1.72 0.00 0.00 179.24 177.71 1ypr h TYR 119 N 0.31 -0.56 -0.70 4.55 3.20 -0.58 -0.94 116.97 122.25 1ypr h TYR 119 Ca 0.09 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.04 1ypr h TYR 119 Cb 0.17 0.20 -0.07 0.00 1.54 0.00 0.00 36.73 38.58 1ypr h TYR 119 CO -0.01 -0.32 0.36 -0.07 -1.64 0.00 0.00 178.16 176.47 1ypr h LEU 120 N -0.51 0.48 -0.85 2.82 3.38 -0.89 -1.53 115.31 118.21 1ypr h LEU 120 Ca -0.02 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1ypr h LEU 120 Cb 0.44 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1ypr h LEU 120 CO 0.01 0.29 0.25 0.40 0.09 0.00 0.00 178.44 179.48 1ypr h ILE 121 N 0.62 1.25 0.00 1.22 2.04 -0.98 0.26 117.51 121.93 1ypr h ILE 121 Ca 0.33 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1ypr h ILE 121 Cb 0.31 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1ypr h ILE 121 CO -0.24 0.34 0.00 1.23 0.00 0.00 0.00 178.15 179.47 1ypr h GLY 122 N 1.10 0.00 -1.46 5.37 0.00 -0.14 -0.92 103.07 107.02 1ypr h GLY 122 Ca 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 1ypr h GLY 122 CO -0.01 0.00 -0.00 1.55 0.00 0.00 0.00 176.54 178.08 1ypr n VAL 123 N -2.96 2.26 -1.13 4.60 3.14 -0.57 -4.96 118.33 118.72 1ypr n VAL 123 Ca -0.02 -1.96 -0.04 0.00 -2.96 0.00 0.00 64.34 59.35 1ypr n VAL 123 Cb 0.13 -0.26 -0.02 0.00 -1.06 0.00 0.00 33.84 32.64 1ypr n VAL 123 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ypr n GLN 124 N -0.64 -0.78 0.00 1.45 1.13 -0.35 -5.04 117.38 113.15 1ypr n GLN 124 Ca 0.21 0.51 0.12 0.00 -1.94 0.00 0.00 57.00 55.91 1ypr n GLN 124 Cb 0.88 -4.29 0.17 0.00 0.11 0.00 0.00 30.24 27.11 1ypr n GLN 124 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28