#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ypr h TRP 2 N 0.00 0.56 -0.28 7.33 4.06 -2.03 -0.24 115.95 125.36 1ypr h TRP 2 Ca 0.00 0.02 -0.06 0.00 2.06 0.00 0.00 58.89 60.90 1ypr h TRP 2 Cb 0.00 -0.18 -0.02 0.00 -1.00 0.00 0.00 29.16 27.97 1ypr h TRP 2 CO 0.00 0.20 -0.10 0.37 -3.56 0.00 0.00 178.44 175.36 1ypr h GLN 3 N 0.47 0.46 -0.36 0.49 5.75 -1.97 -2.76 115.11 117.19 1ypr h GLN 3 Ca 0.40 -0.12 -0.03 0.00 -0.15 0.00 0.00 58.65 58.75 1ypr h GLN 3 Cb 0.87 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.34 1ypr h GLN 3 CO -0.14 0.56 0.10 0.00 -2.65 0.00 0.00 178.83 176.70 1ypr h ALA 4 N 1.47 1.51 0.11 3.38 0.00 -1.47 -1.92 119.26 122.35 1ypr h ALA 4 Ca 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ypr h ALA 4 Cb 0.43 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ypr h ALA 4 CO 0.02 0.37 -0.05 1.88 0.00 0.00 0.00 179.25 181.47 1ypr h TYR 5 N 0.52 -0.14 -0.52 0.00 0.05 -1.49 0.06 116.97 115.45 1ypr h TYR 5 Ca 0.12 -0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.80 1ypr h TYR 5 Cb 0.17 0.05 -0.02 0.00 1.01 0.00 0.00 36.73 37.94 1ypr h TYR 5 CO 0.01 0.09 -0.09 1.79 -1.05 0.00 0.00 178.16 178.91 1ypr h THR 6 N -0.36 1.26 -0.28 -2.88 1.35 -1.56 -1.50 112.91 108.95 1ypr h THR 6 Ca -0.02 -1.22 -0.02 0.00 -0.55 0.00 0.00 66.41 64.60 1ypr h THR 6 Cb 0.29 0.96 -0.01 0.00 -1.73 0.00 0.00 68.15 67.66 1ypr h THR 6 CO 0.03 0.43 0.09 0.44 -0.25 0.00 0.00 175.52 176.26 1ypr h ASP 7 N 0.86 0.40 0.40 5.36 5.19 -1.31 -2.20 116.42 125.12 1ypr h ASP 7 Ca 0.14 -0.20 -0.05 0.00 -0.62 0.00 0.00 57.03 56.30 1ypr h ASP 7 Cb 0.63 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.03 1ypr h ASP 7 CO 0.04 0.49 -0.25 0.78 -3.12 0.00 0.00 179.24 177.18 1ypr h ASN 8 N 0.29 0.00 0.32 6.45 2.35 -0.86 0.16 115.58 124.28 1ypr h ASN 8 Ca 0.09 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 1ypr h ASN 8 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1ypr h ASN 8 CO -0.00 0.25 -0.16 -0.07 -1.65 0.00 0.00 177.43 175.80 1ypr h LEU 9 N 0.00 -0.37 -1.61 1.61 3.38 -1.02 -2.74 115.31 114.57 1ypr h LEU 9 Ca -0.00 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1ypr h LEU 9 Cb 0.52 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1ypr h LEU 9 CO 0.03 -0.02 -0.19 0.16 0.09 0.00 0.00 178.44 178.51 1ypr h ILE 10 N -0.74 0.70 0.00 1.22 3.07 -1.18 -2.36 117.51 118.21 1ypr h ILE 10 Ca -0.04 -0.81 -0.03 0.00 1.55 0.00 0.00 64.86 65.53 1ypr h ILE 10 Cb 0.50 1.50 -0.00 0.00 -0.27 0.00 0.00 36.82 38.55 1ypr h ILE 10 CO 0.07 0.19 -0.12 1.23 -1.05 0.00 0.00 178.15 178.47 1ypr h GLY 11 N 1.18 0.00 2.00 0.16 0.00 -0.53 -1.18 103.07 104.70 1ypr h GLY 11 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1ypr h GLY 11 CO 0.02 0.00 -0.25 -0.91 0.00 0.00 0.00 176.54 175.41 1ypr h THR 12 N 0.00 0.71 0.00 4.70 1.35 -1.12 -3.47 112.91 115.09 1ypr h THR 12 Ca -0.00 -1.07 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 1ypr h THR 12 Cb 0.26 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 1ypr h THR 12 CO 0.02 0.24 0.00 0.61 -0.25 0.00 0.00 175.52 176.14 1ypr n GLY 13 N -0.13 1.46 0.03 5.82 0.00 -0.45 -4.88 105.19 107.05 1ypr n GLY 13 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1ypr n GLY 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ypr n LYS 14 N -2.00 0.13 -4.06 1.61 4.76 -1.26 -4.79 118.16 112.55 1ypr n LYS 14 Ca 0.00 0.05 -0.16 0.00 -2.87 0.00 0.00 58.31 55.33 1ypr n LYS 14 Cb 0.00 -1.59 -0.15 0.00 -1.84 0.00 0.00 35.03 31.45 1ypr n LYS 14 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1ypr s VAL 15 N -3.07 0.30 -0.50 -0.18 1.01 -1.26 -4.42 120.40 112.28 1ypr s VAL 15 Ca 0.10 -0.11 0.13 0.00 0.00 0.00 0.00 61.98 62.10 1ypr s VAL 15 Cb 0.16 -0.29 -0.15 0.00 0.00 0.00 0.00 36.38 36.10 1ypr s VAL 15 CO 0.67 0.11 0.50 -0.90 0.00 0.00 0.00 175.10 175.48 1ypr n ASP 16 N 3.35 0.83 -3.74 3.32 5.75 -0.45 -4.16 116.55 121.45 1ypr n ASP 16 Ca -0.17 -0.66 -0.13 0.00 -0.01 0.00 0.00 54.79 53.81 1ypr n ASP 16 Cb 0.56 1.10 -0.09 0.00 -1.03 0.00 0.00 41.12 41.65 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 -2.31 0.55 -0.26 0.11 1.02 -1.22 -4.44 119.74 113.20 1ypr s LYS 17 Ca 0.03 0.23 -0.26 0.00 0.02 0.00 0.00 55.97 56.00 1ypr s LYS 17 Cb 0.09 0.26 0.08 0.00 -0.52 0.00 0.00 37.83 37.75 1ypr s LYS 17 CO 0.52 -0.11 0.80 0.00 -0.92 0.00 0.00 175.35 175.64 1ypr s ALA 18 N -0.46 -1.83 0.00 5.17 0.00 -0.69 -0.80 121.76 123.16 1ypr s ALA 18 Ca -0.06 1.93 0.01 0.00 0.00 0.00 0.00 51.96 53.85 1ypr s ALA 18 Cb -0.04 -1.16 -0.01 0.00 0.00 0.00 0.00 23.12 21.92 1ypr s ALA 18 CO 0.02 -0.31 -0.04 0.08 0.00 0.00 0.00 175.76 175.51 1ypr s VAL 19 N 0.21 0.32 -0.28 0.00 1.01 -0.36 -1.06 120.40 120.24 1ypr s VAL 19 Ca 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 1ypr s VAL 19 Cb -0.05 -0.30 0.03 0.00 0.00 0.00 0.00 36.38 36.07 1ypr s VAL 19 CO -0.00 0.01 -0.00 -0.63 0.00 0.00 0.00 175.10 174.47 1ypr s ILE 20 N -0.29 3.20 0.36 2.22 1.01 -0.26 -1.27 121.20 126.17 1ypr s ILE 20 Ca -0.01 -1.08 0.07 0.00 0.00 0.00 0.00 60.65 59.63 1ypr s ILE 20 Cb -0.03 -2.71 -0.00 0.00 0.01 0.00 0.00 42.46 39.73 1ypr s ILE 20 CO -0.00 0.05 0.50 -0.31 0.00 0.00 0.00 174.94 175.18 1ypr s TYR 21 N 1.34 3.03 0.62 3.97 2.02 0.44 -0.65 117.35 128.13 1ypr s TYR 21 Ca -0.01 -0.26 -0.14 0.00 -0.37 0.00 0.00 57.07 56.29 1ypr s TYR 21 Cb -0.18 -2.11 -0.03 0.00 -0.40 0.00 0.00 41.96 39.24 1ypr s TYR 21 CO -0.01 -0.14 1.05 -1.54 -1.57 0.00 0.00 175.55 173.33 1ypr s SER 22 N -4.23 5.80 0.40 2.29 1.04 -0.58 -1.22 113.70 117.21 1ypr s SER 22 Ca 0.48 1.68 0.18 0.00 0.48 0.00 0.00 55.95 58.77 1ypr s SER 22 Cb -0.10 -2.51 1.10 0.00 0.10 0.00 0.00 66.02 64.61 1ypr s SER 22 CO 0.32 -1.16 1.78 -0.09 0.98 0.00 0.00 173.24 175.07 1ypr h ARG 23 N 0.05 0.39 0.00 4.02 2.43 -0.88 0.61 114.38 121.01 1ypr h ARG 23 Ca -0.46 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1ypr h ARG 23 Cb 1.21 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 1ypr h ARG 23 CO 0.58 0.26 0.00 0.00 -1.51 0.00 0.00 179.97 179.30 1ypr n ALA 24 N -2.48 2.00 -1.18 2.80 0.00 -1.26 -4.82 120.51 115.56 1ypr n ALA 24 Ca 0.25 -0.08 -0.06 0.00 0.00 0.00 0.00 53.44 53.55 1ypr n ALA 24 Cb 0.86 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.93 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 0.74 0.83 1.11 0.00 0.00 0.21 -4.91 105.19 103.18 1ypr n GLY 25 Ca 0.05 -0.39 0.11 0.00 0.00 0.00 0.00 46.02 45.80 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 0.13 3.40 -3.70 1.61 5.75 -1.26 -4.89 116.55 117.59 1ypr n ASP 26 Ca -0.06 -1.98 -0.11 0.00 -0.01 0.00 0.00 54.79 52.63 1ypr n ASP 26 Cb 0.29 -0.24 -0.10 0.00 -1.03 0.00 0.00 41.12 40.04 1ypr n ASP 26 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ypr s ALA 27 N -1.46 -1.12 -0.36 2.12 0.00 -1.26 -5.01 121.76 114.67 1ypr s ALA 27 Ca 0.37 1.47 -0.21 0.00 0.00 0.00 0.00 51.96 53.59 1ypr s ALA 27 Cb 0.22 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.47 1ypr s ALA 27 CO 0.30 -0.25 0.65 0.08 0.00 0.00 0.00 175.76 176.55 1ypr s VAL 28 N 0.90 4.87 -0.13 0.00 1.01 -1.26 -1.52 120.40 124.27 1ypr s VAL 28 Ca -0.05 0.60 0.17 0.00 0.00 0.00 0.00 61.98 62.70 1ypr s VAL 28 Cb -0.06 -4.10 -0.15 0.00 0.00 0.00 0.00 36.38 32.07 1ypr s VAL 28 CO -0.07 -0.34 0.76 0.79 0.00 0.00 0.00 175.10 176.24 1ypr n TRP 29 N 6.10 0.87 -3.59 5.22 7.02 0.18 -4.98 117.44 128.27 1ypr n TRP 29 Ca -0.01 0.29 -0.12 0.00 -1.02 0.00 0.00 57.50 56.64 1ypr n TRP 29 Cb 0.48 -1.05 -0.06 0.00 -2.42 0.00 0.00 31.31 28.26 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 -2.94 -1.88 -0.08 6.99 0.00 -1.18 -4.53 121.76 118.13 1ypr s ALA 30 Ca -0.04 1.67 -0.09 0.00 0.00 0.00 0.00 51.96 53.50 1ypr s ALA 30 Cb 0.09 -0.81 0.02 0.00 0.00 0.00 0.00 23.12 22.42 1ypr s ALA 30 CO 0.82 -0.31 0.25 0.99 0.00 0.00 0.00 175.76 177.51 1ypr s THR 31 N -0.56 0.01 -0.05 0.00 2.01 -1.26 -1.10 115.64 114.69 1ypr s THR 31 Ca -0.02 -0.09 -0.04 0.00 0.31 0.00 0.00 61.69 61.84 1ypr s THR 31 Cb -0.02 -0.39 0.01 0.00 0.01 0.00 0.00 72.50 72.12 1ypr s THR 31 CO 0.01 -0.05 0.13 -0.44 -0.69 0.00 0.00 174.62 173.58 1ypr s SER 32 N -0.10 -0.13 0.00 3.53 0.01 -0.22 -4.87 113.70 111.91 1ypr s SER 32 Ca -0.02 0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.50 1ypr s SER 32 Cb -0.03 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.46 1ypr s SER 32 CO 0.01 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.22 1ypr n GLY 33 N 3.08 0.67 3.17 3.44 0.00 -1.26 -1.70 105.19 112.59 1ypr n GLY 33 Ca -0.13 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.64 -0.27 3.70 -0.02 0.00 -1.26 -4.79 105.19 99.91 1ypr n GLY 34 Ca 0.00 0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 -6.04 4.27 -0.08 0.99 2.96 -1.26 -5.03 118.68 114.49 1ypr s LEU 35 Ca 0.34 1.27 0.03 0.00 -0.22 0.00 0.00 54.13 55.55 1ypr s LEU 35 Cb -0.15 -3.23 0.01 0.00 0.50 0.00 0.00 46.19 43.32 1ypr s LEU 35 CO 0.60 -0.25 -0.15 -0.55 -1.32 0.00 0.00 176.35 174.68 1ypr s SER 36 N 0.97 2.12 0.10 3.68 0.15 -1.26 -4.93 113.70 114.53 1ypr s SER 36 Ca 0.40 -0.37 0.08 0.00 0.70 0.00 0.00 55.95 56.77 1ypr s SER 36 Cb -0.18 -0.97 -0.04 0.00 -1.71 0.00 0.00 66.02 63.12 1ypr s SER 36 CO 0.18 0.06 -0.18 -0.76 1.20 0.00 0.00 173.24 173.74 1ypr s LEU 37 N 0.64 2.69 0.39 3.45 1.43 -1.26 -3.72 118.68 122.30 1ypr s LEU 37 Ca -0.15 -0.53 -0.16 0.00 -1.03 0.00 0.00 54.13 52.27 1ypr s LEU 37 Cb -0.16 -1.55 -0.09 0.00 0.03 0.00 0.00 46.19 44.42 1ypr s LEU 37 CO 0.04 0.19 0.83 -1.58 0.23 0.00 0.00 176.35 176.07 1ypr s GLN 38 N -1.99 4.01 0.31 1.70 2.00 -1.26 -4.92 119.66 119.52 1ypr s GLN 38 Ca 0.17 0.79 0.09 0.00 -2.00 0.00 0.00 55.36 54.41 1ypr s GLN 38 Cb -0.11 -2.31 0.88 0.00 0.80 0.00 0.00 33.01 32.27 1ypr s GLN 38 CO 0.09 0.01 1.71 -1.00 -0.50 0.00 0.00 175.29 175.60 1ypr h PRO 39 N 1.79 0.47 -0.08 1.67 0.13 -2.00 -0.72 132.00 133.26 1ypr h PRO 39 Ca -0.48 -0.03 -0.15 0.00 -0.87 0.00 0.00 66.00 64.47 1ypr h PRO 39 Cb 1.18 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1ypr h PRO 39 CO 0.63 0.31 -0.62 -2.95 -0.23 0.00 0.00 178.00 175.14 1ypr h ASN 40 N 0.48 0.35 -0.67 1.44 7.08 -1.99 -2.41 115.58 119.86 1ypr h ASN 40 Ca 0.64 -0.20 -0.04 0.00 -3.08 0.00 0.00 56.30 53.61 1ypr h ASN 40 Cb 1.26 -0.10 -0.03 0.00 -2.08 0.00 0.00 38.32 37.36 1ypr h ASN 40 CO -0.52 0.88 0.27 -0.33 -2.08 0.00 0.00 177.43 175.65 1ypr h GLU 41 N 0.22 1.03 0.00 4.14 5.08 -1.46 -0.94 114.58 122.66 1ypr h GLU 41 Ca -0.01 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.06 1ypr h GLU 41 Cb 1.14 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 1ypr h GLU 41 CO 0.10 0.84 -0.53 0.97 -1.00 0.00 0.00 179.01 179.39 1ypr h ILE 42 N 1.01 1.02 -0.33 3.13 6.09 -1.42 -2.96 117.51 124.05 1ypr h ILE 42 Ca 0.23 -2.12 -0.17 0.00 -1.37 0.00 0.00 64.86 61.43 1ypr h ILE 42 Cb 0.21 2.28 -0.00 0.00 0.47 0.00 0.00 36.82 39.78 1ypr h ILE 42 CO -0.02 0.52 -0.45 1.23 -3.07 0.00 0.00 178.15 176.36 1ypr h GLY 43 N 2.79 0.98 0.96 8.18 0.00 -0.85 -1.50 103.07 113.64 1ypr h GLY 43 Ca -0.01 -1.07 -0.03 0.00 0.00 0.00 0.00 47.33 46.23 1ypr h GLY 43 CO 0.07 0.96 0.20 0.83 0.00 0.00 0.00 176.54 178.60 1ypr h GLU 44 N 0.70 0.71 -0.20 4.80 4.39 -1.18 -2.20 114.58 121.59 1ypr h GLU 44 Ca 0.04 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 1ypr h GLU 44 Cb 1.06 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.58 1ypr h GLU 44 CO 0.11 0.63 0.07 0.82 -1.16 0.00 0.00 179.01 179.48 1ypr h ILE 45 N 0.63 1.18 -0.65 3.13 2.04 -1.46 -0.37 117.51 122.02 1ypr h ILE 45 Ca 0.16 -0.55 0.05 0.00 1.00 0.00 0.00 64.86 65.52 1ypr h ILE 45 Cb 0.18 1.16 -0.05 0.00 -0.74 0.00 0.00 36.82 37.38 1ypr h ILE 45 CO -0.01 0.18 0.36 0.58 0.00 0.00 0.00 178.15 179.26 1ypr h VAL 46 N 0.16 0.98 -0.15 1.67 2.07 -1.17 -2.48 116.25 117.33 1ypr h VAL 46 Ca 0.07 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1ypr h VAL 46 Cb 0.21 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1ypr h VAL 46 CO -0.00 0.12 0.00 1.56 0.02 0.00 0.00 177.57 179.27 1ypr h GLN 47 N 0.68 0.27 -1.38 1.57 4.20 -1.30 -3.14 115.11 116.01 1ypr h GLN 47 Ca 0.29 -0.08 0.40 0.00 0.06 0.00 0.00 58.65 59.31 1ypr h GLN 47 Cb 0.16 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 27.86 1ypr h GLN 47 CO -0.17 0.49 1.13 0.78 -0.67 0.00 0.00 178.83 180.39 1ypr h GLY 48 N 0.01 0.00 2.00 3.46 0.00 -0.58 0.29 103.07 108.26 1ypr h GLY 48 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.35 1ypr h GLY 48 CO 0.01 0.00 -0.12 0.74 0.00 0.00 0.00 176.54 177.16 1ypr h PHE 49 N 0.00 0.00 0.00 5.60 0.04 -1.52 -2.24 116.94 118.82 1ypr h PHE 49 Ca 0.66 0.00 -0.38 0.00 2.80 0.00 0.00 57.97 61.05 1ypr h PHE 49 Cb 2.90 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 40.98 1ypr h PHE 49 CO 0.00 0.12 -2.41 -0.25 -0.60 0.00 0.00 178.31 175.17 1ypr n ASP 50 N -3.56 0.58 -3.36 2.17 8.00 0.97 -4.00 116.55 117.35 1ypr n ASP 50 Ca -0.01 -0.04 -0.15 0.00 0.71 0.00 0.00 54.79 55.29 1ypr n ASP 50 Cb 0.26 0.59 -0.08 0.00 -0.02 0.00 0.00 41.12 41.87 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 -5.79 1.06 0.00 -2.24 3.84 -0.88 -5.00 114.94 105.92 1ypr s ASN 51 Ca -0.17 -1.24 0.13 0.00 0.21 0.00 0.00 52.86 51.79 1ypr s ASN 51 Cb 0.07 0.68 0.79 0.00 -0.55 0.00 0.00 41.25 42.24 1ypr s ASN 51 CO 0.76 -0.29 1.30 -0.81 -2.79 0.00 0.00 177.10 175.27 1ypr n PRO 52 N 4.60 0.71 -0.11 0.43 -0.04 -0.86 -4.08 135.00 135.65 1ypr n PRO 52 Ca 0.07 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.48 1ypr n PRO 52 Cb 0.46 -1.29 0.02 0.00 -0.04 0.00 0.00 33.50 32.65 1ypr n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ypr h ALA 53 N 3.00 0.33 -0.43 0.55 0.00 -1.95 0.02 119.26 120.78 1ypr h ALA 53 Ca 0.00 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ypr h ALA 53 Cb 0.00 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1ypr h ALA 53 CO 0.00 -0.41 0.25 0.78 0.00 0.00 0.00 179.25 179.88 1ypr h GLY 54 N 0.08 0.63 1.83 0.00 0.00 -1.98 -2.30 103.07 101.33 1ypr h GLY 54 Ca 0.19 -0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 1ypr h GLY 54 CO -0.33 0.26 -0.17 1.41 0.00 0.00 0.00 176.54 177.71 1ypr h LEU 55 N 0.57 0.20 -0.73 3.11 3.38 -1.70 -1.04 115.31 119.10 1ypr h LEU 55 Ca 0.15 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 1ypr h LEU 55 Cb 0.01 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1ypr h LEU 55 CO -0.03 0.39 -0.22 1.56 0.09 0.00 0.00 178.44 180.24 1ypr h GLN 56 N 0.20 0.73 0.16 1.13 4.20 -0.58 -0.01 115.11 120.95 1ypr h GLN 56 Ca 0.04 -0.29 -0.01 0.00 0.06 0.00 0.00 58.65 58.45 1ypr h GLN 56 Cb 0.42 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1ypr h GLN 56 CO 0.03 0.89 -0.08 0.77 -0.67 0.00 0.00 178.83 179.77 1ypr h SER 57 N 0.64 -0.19 0.70 1.46 0.02 -0.98 -3.41 113.55 111.80 1ypr h SER 57 Ca 0.09 -0.14 -0.18 0.00 -0.84 0.00 0.00 61.79 60.72 1ypr h SER 57 Cb 0.71 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.27 1ypr h SER 57 CO 0.05 0.34 -1.42 0.78 -1.14 0.00 0.00 176.83 175.45 1ypr h ASN 58 N -1.02 0.00 -4.88 3.07 2.35 -1.32 -3.51 115.58 110.26 1ypr h ASN 58 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1ypr h ASN 58 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 1ypr h ASN 58 CO 0.04 0.63 0.00 0.61 -1.65 0.00 0.00 177.43 177.06 1ypr n GLY 59 N 1.41 0.82 3.67 2.83 0.00 -0.02 -4.94 105.19 108.95 1ypr n GLY 59 Ca -0.10 -1.96 -0.39 0.00 0.00 0.00 0.00 46.02 43.57 1ypr n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ypr s LEU 60 N -0.52 4.16 -0.24 0.99 1.43 0.24 -4.73 118.68 120.01 1ypr s LEU 60 Ca 0.00 0.63 -0.07 0.00 -1.03 0.00 0.00 54.13 53.66 1ypr s LEU 60 Cb 0.00 -2.64 -0.03 0.00 0.03 0.00 0.00 46.19 43.55 1ypr s LEU 60 CO 0.00 -0.14 0.05 -1.00 0.23 0.00 0.00 176.35 175.49 1ypr s HIS 61 N 1.47 3.07 -0.20 0.29 3.76 -1.26 0.13 115.29 122.54 1ypr s HIS 61 Ca 0.22 -0.49 0.01 0.00 -0.15 0.00 0.00 55.06 54.65 1ypr s HIS 61 Cb -0.15 -2.20 0.05 0.00 1.11 0.00 0.00 32.58 31.38 1ypr s HIS 61 CO 0.09 -0.37 -0.09 0.42 -0.85 0.00 0.00 174.74 173.95 1ypr s ILE 62 N 1.52 1.58 -1.41 0.60 -1.09 0.15 -4.74 121.20 117.82 1ypr s ILE 62 Ca 0.06 -1.04 -0.08 0.00 -2.23 0.00 0.00 60.65 57.36 1ypr s ILE 62 Cb -0.15 -1.71 0.04 0.00 -1.58 0.00 0.00 42.46 39.06 1ypr s ILE 62 CO 0.02 0.10 1.00 0.00 -1.23 0.00 0.00 174.94 174.83 1ypr n GLN 63 N 4.69 -6.27 0.00 2.79 6.02 -1.24 -1.32 117.38 122.05 1ypr n GLN 63 Ca -0.14 0.70 0.00 0.00 -0.01 0.00 0.00 57.00 57.55 1ypr n GLN 63 Cb 0.46 -5.59 0.00 0.00 1.02 0.00 0.00 30.24 26.13 1ypr n GLN 63 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ypr n GLY 64 N -1.71 2.64 3.75 1.08 0.00 -1.26 -4.98 105.19 104.71 1ypr n GLY 64 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 1ypr n GLY 64 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ypr s GLN 65 N 0.00 4.64 -0.17 1.61 0.74 -0.43 -5.00 119.66 121.05 1ypr s GLN 65 Ca 0.00 1.78 -0.13 0.00 0.05 0.00 0.00 55.36 57.06 1ypr s GLN 65 Cb 0.00 -3.21 -0.05 0.00 1.10 0.00 0.00 33.01 30.85 1ypr s GLN 65 CO 0.00 0.19 0.27 0.21 -0.55 0.00 0.00 175.29 175.42 1ypr s LYS 66 N -1.21 4.25 -0.05 1.67 2.20 -1.26 -0.67 119.74 124.67 1ypr s LYS 66 Ca 0.45 0.06 0.06 0.00 -0.36 0.00 0.00 55.97 56.18 1ypr s LYS 66 Cb -0.31 -3.42 -0.02 0.00 -1.51 0.00 0.00 37.83 32.57 1ypr s LYS 66 CO 0.39 0.24 -0.23 -0.06 -0.36 0.00 0.00 175.35 175.34 1ypr s PHE 67 N 0.46 2.46 0.06 4.03 0.40 0.35 -4.74 117.98 121.00 1ypr s PHE 67 Ca 0.16 -0.55 -0.26 0.00 -0.60 0.00 0.00 56.93 55.68 1ypr s PHE 67 Cb -0.13 -1.58 -0.06 0.00 0.51 0.00 0.00 43.02 41.76 1ypr s PHE 67 CO 0.03 -0.10 0.81 -1.64 0.70 0.00 0.00 175.22 175.02 1ypr s MET 68 N -0.37 4.54 0.24 0.44 -1.94 0.57 0.80 119.30 123.58 1ypr s MET 68 Ca 0.03 1.15 -0.30 0.00 -1.71 0.00 0.00 55.69 54.86 1ypr s MET 68 Cb -0.12 -3.36 -0.09 0.00 2.01 0.00 0.00 34.83 33.27 1ypr s MET 68 CO 0.02 0.28 1.26 -1.17 -0.01 0.00 0.00 175.02 175.40 1ypr s LEU 69 N -0.09 4.45 -0.03 -0.03 2.96 -1.26 -1.59 118.68 123.09 1ypr s LEU 69 Ca 0.40 2.41 -0.06 0.00 -0.22 0.00 0.00 54.13 56.66 1ypr s LEU 69 Cb -0.21 -3.62 -0.03 0.00 0.50 0.00 0.00 46.19 42.83 1ypr s LEU 69 CO 0.24 -0.44 -0.13 0.18 -1.32 0.00 0.00 176.35 174.89 1ypr n LEU 70 N 1.99 1.24 -4.21 -0.68 4.77 -0.12 -4.94 117.00 115.06 1ypr n LEU 70 Ca 0.03 0.19 -0.20 0.00 -0.03 0.00 0.00 56.01 56.00 1ypr n LEU 70 Cb 0.43 -0.44 -0.12 0.00 -2.33 0.00 0.00 43.42 40.97 1ypr n LEU 70 CO 0.57 -0.39 -0.47 -0.60 -1.33 0.00 0.00 177.39 175.17 1ypr s ARG 71 N -2.29 0.91 -0.29 3.23 3.52 -1.21 -5.00 118.95 117.82 1ypr s ARG 71 Ca -0.11 -1.03 -0.15 0.00 -0.13 0.00 0.00 55.73 54.31 1ypr s ARG 71 Cb 0.02 -0.97 0.12 0.00 -1.56 0.00 0.00 34.95 32.57 1ypr s ARG 71 CO 0.16 0.22 0.84 0.00 -0.81 0.00 0.00 175.30 175.70 1ypr s ALA 72 N -1.33 -2.18 0.00 6.12 0.00 -1.26 -1.49 121.76 121.62 1ypr s ALA 72 Ca 0.01 2.28 0.00 0.00 0.00 0.00 0.00 51.96 54.25 1ypr s ALA 72 Cb -0.10 -1.68 0.00 0.00 0.00 0.00 0.00 23.12 21.34 1ypr s ALA 72 CO 0.03 -0.54 0.00 -0.40 0.00 0.00 0.00 175.76 174.85 1ypr n ASP 73 N 4.36 0.00 0.07 0.00 5.68 0.16 -5.00 116.55 121.82 1ypr n ASP 73 Ca -0.17 -0.28 0.10 0.00 -0.50 0.00 0.00 54.79 53.95 1ypr n ASP 73 Cb 0.56 0.00 0.43 0.00 -1.14 0.00 0.00 41.12 40.97 1ypr n ASP 73 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1ypr n ASP 74 N -0.77 0.36 0.00 -1.12 5.75 -1.26 -3.95 116.55 115.57 1ypr n ASP 74 Ca 0.00 0.58 0.00 0.00 -0.01 0.00 0.00 54.79 55.36 1ypr n ASP 74 Cb 0.00 -0.66 0.00 0.00 -1.03 0.00 0.00 41.12 39.43 1ypr n ASP 74 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1ypr n ARG 75 N -1.89 2.42 -4.34 0.11 -4.01 -1.26 -4.79 116.66 102.90 1ypr n ARG 75 Ca 0.03 0.00 -0.20 0.00 -1.04 0.00 0.00 57.85 56.64 1ypr n ARG 75 Cb 0.24 -0.91 -0.13 0.00 -3.04 0.00 0.00 32.46 28.62 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 -2.24 1.79 -0.11 2.89 0.01 -1.25 -0.24 113.70 114.55 1ypr s SER 76 Ca 0.00 -0.51 -0.04 0.00 1.31 0.00 0.00 55.95 56.72 1ypr s SER 76 Cb 0.00 -0.11 0.06 0.00 0.21 0.00 0.00 66.02 66.18 1ypr s SER 76 CO 0.00 0.02 0.16 -0.63 0.41 0.00 0.00 173.24 173.21 1ypr s ILE 77 N -0.95 -0.25 -0.05 1.44 1.01 0.02 -0.66 121.20 121.76 1ypr s ILE 77 Ca 0.02 0.24 0.02 0.00 0.00 0.00 0.00 60.65 60.93 1ypr s ILE 77 Cb -0.08 -0.38 -0.03 0.00 0.01 0.00 0.00 42.46 41.98 1ypr s ILE 77 CO 0.02 0.06 -0.08 -0.31 0.00 0.00 0.00 174.94 174.62 1ypr s TYR 78 N 2.28 2.88 0.18 3.97 2.02 -0.56 -0.73 117.35 127.40 1ypr s TYR 78 Ca 0.04 -0.03 0.01 0.00 -0.37 0.00 0.00 57.07 56.72 1ypr s TYR 78 Cb -0.13 -1.67 -0.05 0.00 -0.40 0.00 0.00 41.96 39.72 1ypr s TYR 78 CO -0.07 0.32 0.02 0.20 -1.57 0.00 0.00 175.55 174.45 1ypr s GLY 79 N -0.96 1.30 0.05 0.71 0.00 0.12 -0.94 107.32 107.60 1ypr s GLY 79 Ca 0.13 -1.63 -0.08 0.00 0.00 0.00 0.00 44.72 43.14 1ypr s GLY 79 CO 0.03 -1.52 0.16 1.09 0.00 0.00 0.00 173.10 172.86 1ypr s ARG 80 N -3.95 0.71 -0.30 2.90 1.70 -0.62 -1.88 118.95 117.51 1ypr s ARG 80 Ca 0.27 -0.79 0.02 0.00 -0.47 0.00 0.00 55.73 54.76 1ypr s ARG 80 Cb 0.06 0.29 0.16 0.00 -0.57 0.00 0.00 34.95 34.89 1ypr s ARG 80 CO 0.06 -0.21 0.40 -1.58 -1.08 0.00 0.00 175.30 172.89 1ypr s HIS 81 N -3.04 -0.90 0.00 5.89 2.46 -0.11 -0.32 115.29 119.27 1ypr s HIS 81 Ca -0.01 0.16 0.00 0.00 0.47 0.00 0.00 55.06 55.68 1ypr s HIS 81 Cb 0.01 -0.21 0.00 0.00 -0.13 0.00 0.00 32.58 32.25 1ypr s HIS 81 CO -0.07 -0.98 0.00 -0.25 -2.47 0.00 0.00 174.74 170.97 1ypr n ASP 82 N 5.24 0.00 -0.97 9.88 8.00 -1.26 -2.08 116.55 135.35 1ypr n ASP 82 Ca 0.01 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.63 1ypr n ASP 82 Cb 0.49 0.00 0.22 0.00 -0.02 0.00 0.00 41.12 41.81 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 12.00 2.46 -2.68 2.24 0.00 -1.26 -4.93 120.51 128.34 1ypr n ALA 83 Ca 0.00 -0.80 -0.22 0.00 0.00 0.00 0.00 53.44 52.42 1ypr n ALA 83 Cb 0.00 -0.90 -0.05 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.73 2.72 0.28 0.00 -1.05 -0.89 -3.87 118.70 114.17 1ypr s GLU 84 Ca 0.35 -1.22 -0.06 0.00 -0.15 0.00 0.00 54.97 53.89 1ypr s GLU 84 Cb 0.21 -2.44 0.02 0.00 -0.44 0.00 0.00 34.13 31.48 1ypr s GLU 84 CO 0.31 0.29 0.48 0.41 0.95 0.00 0.00 175.26 177.69 1ypr n GLY 85 N -1.18 1.82 2.89 -3.83 0.00 -0.87 -0.93 105.19 103.08 1ypr n GLY 85 Ca -0.06 -1.39 -0.15 0.00 0.00 0.00 0.00 46.02 44.42 1ypr n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ypr s VAL 86 N -2.54 0.22 -0.15 1.61 0.11 -0.79 -1.45 120.40 117.41 1ypr s VAL 86 Ca 0.18 -0.06 0.01 0.00 -2.93 0.00 0.00 61.98 59.17 1ypr s VAL 86 Cb -0.02 -0.22 0.01 0.00 -1.53 0.00 0.00 36.38 34.61 1ypr s VAL 86 CO 0.13 0.09 -0.18 -0.69 -3.33 0.00 0.00 175.10 171.12 1ypr s VAL 87 N 0.25 2.38 -0.12 2.04 1.01 -0.10 -0.71 120.40 125.15 1ypr s VAL 87 Ca -0.02 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.12 1ypr s VAL 87 Cb -0.05 -1.99 0.01 0.00 0.00 0.00 0.00 36.38 34.36 1ypr s VAL 87 CO -0.01 0.53 -0.19 0.00 0.00 0.00 0.00 175.10 175.43 1ypr s VAL 89 N 0.86 0.69 -0.19 0.00 1.01 -0.23 -0.80 120.40 121.74 1ypr s VAL 89 Ca -0.08 -0.25 -0.09 0.00 0.00 0.00 0.00 61.98 61.56 1ypr s VAL 89 Cb -0.15 -0.66 -0.05 0.00 0.00 0.00 0.00 36.38 35.52 1ypr s VAL 89 CO -0.01 0.24 0.12 -0.60 0.00 0.00 0.00 175.10 174.85 1ypr s ARG 90 N 0.60 4.10 0.00 2.72 3.52 0.66 -0.71 118.95 129.85 1ypr s ARG 90 Ca -0.09 -0.24 0.00 0.00 -0.13 0.00 0.00 55.73 55.27 1ypr s ARG 90 Cb -0.12 -3.37 0.00 0.00 -1.56 0.00 0.00 34.95 29.90 1ypr s ARG 90 CO 0.01 0.33 0.00 0.25 -0.81 0.00 0.00 175.30 175.08 1ypr n THR 91 N 3.42 0.00 -0.00 4.11 -2.24 -0.34 -4.77 114.28 114.47 1ypr n THR 91 Ca -0.16 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.52 1ypr n THR 91 Cb 0.52 -0.54 0.06 0.00 -2.10 0.00 0.00 70.33 68.27 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 0.57 0.00 -0.78 1.57 -1.81 -3.38 116.57 112.75 1ypr h LYS 92 Ca 0.00 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1ypr h LYS 92 Cb 0.00 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1ypr h LYS 92 CO 0.00 0.95 0.00 1.04 -0.57 0.00 0.00 179.45 180.87 1ypr n GLN 93 N -3.97 0.51 -4.31 3.15 6.02 0.28 -4.92 117.38 114.15 1ypr n GLN 93 Ca -0.03 -0.28 -0.16 0.00 -0.01 0.00 0.00 57.00 56.51 1ypr n GLN 93 Cb 0.59 -0.75 -0.10 0.00 1.02 0.00 0.00 30.24 31.00 1ypr n GLN 93 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1ypr s THR 94 N -0.15 0.46 -0.13 5.09 -4.23 -1.23 -0.29 115.64 115.16 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 -2.60 0.04 0.00 1.34 0.00 0.00 72.50 71.27 1ypr s THR 94 CO 0.00 0.00 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.38 1ypr s VAL 95 N -3.78 0.69 -0.13 2.29 1.01 -0.36 -1.19 120.40 118.93 1ypr s VAL 95 Ca 0.38 -0.29 -0.11 0.00 0.00 0.00 0.00 61.98 61.96 1ypr s VAL 95 Cb 0.07 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 1ypr s VAL 95 CO 0.14 0.13 0.22 -0.63 0.00 0.00 0.00 175.10 174.96 1ypr s ILE 96 N 1.82 5.36 -0.07 2.22 1.01 0.11 -0.42 121.20 131.24 1ypr s ILE 96 Ca 0.02 0.39 0.01 0.00 0.00 0.00 0.00 60.65 61.08 1ypr s ILE 96 Cb -0.14 -3.52 0.02 0.00 0.01 0.00 0.00 42.46 38.82 1ypr s ILE 96 CO -0.07 0.52 -0.10 -0.63 0.00 0.00 0.00 174.94 174.66 1ypr s ILE 97 N -0.37 1.00 0.05 2.92 1.01 -0.40 -1.06 121.20 124.35 1ypr s ILE 97 Ca 0.15 -0.37 0.04 0.00 0.00 0.00 0.00 60.65 60.47 1ypr s ILE 97 Cb -0.13 -0.96 -0.02 0.00 0.01 0.00 0.00 42.46 41.36 1ypr s ILE 97 CO 0.04 0.34 -0.11 0.00 0.00 0.00 0.00 174.94 175.21 1ypr s ALA 98 N 0.96 0.85 0.01 9.38 0.00 0.09 -1.22 121.76 131.84 1ypr s ALA 98 Ca -0.09 -0.81 0.06 0.00 0.00 0.00 0.00 51.96 51.12 1ypr s ALA 98 Cb -0.15 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 1ypr s ALA 98 CO 0.00 0.09 -0.19 -1.58 0.00 0.00 0.00 175.76 174.09 1ypr s HIS 99 N -1.16 2.55 -0.01 0.00 2.46 0.02 -0.92 115.29 118.23 1ypr s HIS 99 Ca -0.05 -0.27 0.06 0.00 0.47 0.00 0.00 55.06 55.28 1ypr s HIS 99 Cb -0.09 -1.51 -0.02 0.00 -0.13 0.00 0.00 32.58 30.84 1ypr s HIS 99 CO 0.01 0.19 -0.18 1.52 -2.47 0.00 0.00 174.74 173.80 1ypr s TYR 100 N -0.82 1.65 0.71 3.88 -0.85 -0.53 -1.34 117.35 120.06 1ypr s TYR 100 Ca 0.13 -0.32 -0.11 0.00 -0.52 0.00 0.00 57.07 56.26 1ypr s TYR 100 Cb -0.10 -1.05 0.03 0.00 0.38 0.00 0.00 41.96 41.21 1ypr s TYR 100 CO 0.03 -0.02 1.09 -1.25 -1.52 0.00 0.00 175.55 173.88 1ypr s PRO 101 N -0.51 2.63 0.65 -3.49 0.04 -1.26 -2.05 135.00 131.00 1ypr s PRO 101 Ca 0.07 0.28 0.36 0.00 0.04 0.00 0.00 61.00 61.75 1ypr s PRO 101 Cb -0.07 -2.04 2.00 0.00 0.04 0.00 0.00 34.50 34.42 1ypr s PRO 101 CO -0.00 -1.13 2.17 -1.35 0.04 0.00 0.00 177.00 176.73 1ypr h PRO 102 N -0.68 0.00 -0.00 0.56 0.11 -1.95 -1.24 132.00 128.80 1ypr h PRO 102 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1ypr h PRO 102 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1ypr h PRO 102 CO 0.64 0.00 -0.00 0.25 -0.21 0.00 0.00 178.00 178.68 1ypr n THR 103 N -3.23 0.00 -5.18 -1.15 -2.24 -1.26 -4.78 114.28 96.44 1ypr n THR 103 Ca -0.02 -0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.45 1ypr n THR 103 Cb 0.22 -0.50 -0.15 0.00 -2.10 0.00 0.00 70.33 67.80 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 -2.12 2.32 -0.03 2.28 1.01 -0.47 -5.11 120.40 118.29 1ypr s VAL 104 Ca 0.44 -0.99 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 1ypr s VAL 104 Cb 0.22 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 1ypr s VAL 104 CO 0.39 0.58 1.04 -1.10 0.00 0.00 0.00 175.10 176.01 1ypr s GLN 105 N -0.50 4.48 0.48 2.72 -1.52 -1.26 -4.85 119.66 119.21 1ypr s GLN 105 Ca 0.07 1.49 0.34 0.00 -1.95 0.00 0.00 55.36 55.30 1ypr s GLN 105 Cb -0.11 -3.48 1.46 0.00 -0.22 0.00 0.00 33.01 30.66 1ypr s GLN 105 CO 0.01 -0.20 1.70 0.00 -0.25 0.00 0.00 175.29 176.54 1ypr h ALA 106 N 6.96 2.97 -0.68 6.09 0.00 -1.94 0.40 119.26 133.05 1ypr h ALA 106 Ca -0.37 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 1ypr h ALA 106 Cb 1.19 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1ypr h ALA 106 CO 0.80 -1.46 0.24 0.78 0.00 0.00 0.00 179.25 179.62 1ypr h GLY 107 N 0.11 1.12 1.16 0.00 0.00 -1.99 -1.74 103.07 101.72 1ypr h GLY 107 Ca 0.72 -0.64 -0.19 0.00 0.00 0.00 0.00 47.33 47.22 1ypr h GLY 107 CO -0.20 0.60 -0.59 0.83 0.00 0.00 0.00 176.54 177.18 1ypr h GLU 108 N 0.99 0.87 0.38 4.80 5.08 -1.32 -2.27 114.58 123.11 1ypr h GLU 108 Ca 0.22 -0.58 -0.02 0.00 -1.00 0.00 0.00 59.36 57.98 1ypr h GLU 108 Cb 0.25 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1ypr h GLU 108 CO -0.01 1.21 -0.18 0.00 -1.00 0.00 0.00 179.01 179.03 1ypr h ALA 109 N 0.66 -0.50 -0.52 3.43 0.00 -1.49 -2.83 119.26 118.00 1ypr h ALA 109 Ca 0.00 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 54.87 1ypr h ALA 109 Cb 1.21 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 19.11 1ypr h ALA 109 CO 0.13 -0.72 0.02 1.15 0.00 0.00 0.00 179.25 179.82 1ypr h THR 110 N -0.63 0.60 -0.28 0.00 2.02 -1.36 -2.37 112.91 110.89 1ypr h THR 110 Ca -0.05 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1ypr h THR 110 Cb 0.46 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1ypr h THR 110 CO 0.08 0.02 0.18 0.50 0.37 0.00 0.00 175.52 176.68 1ypr h LYS 111 N 0.13 0.38 -0.59 6.66 3.64 -1.40 -0.76 116.57 124.63 1ypr h LYS 111 Ca 0.27 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.56 1ypr h LYS 111 Cb 0.40 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 1ypr h LYS 111 CO -0.43 0.28 0.16 0.97 -2.27 0.00 0.00 179.45 178.16 1ypr h ILE 112 N 0.37 1.25 -0.27 2.00 6.09 -1.23 -0.34 117.51 125.37 1ypr h ILE 112 Ca 0.10 -0.88 -0.07 0.00 -1.37 0.00 0.00 64.86 62.64 1ypr h ILE 112 Cb -0.01 0.69 -0.01 0.00 0.47 0.00 0.00 36.82 37.96 1ypr h ILE 112 CO -0.02 0.33 -0.12 0.58 -3.07 0.00 0.00 178.15 175.85 1ypr h VAL 113 N 0.85 1.30 -0.76 2.19 2.07 -1.36 -2.84 116.25 117.70 1ypr h VAL 113 Ca 0.19 -1.19 0.04 0.00 0.82 0.00 0.00 66.70 66.55 1ypr h VAL 113 Cb 0.33 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 1ypr h VAL 113 CO -0.00 0.38 0.50 -0.33 0.02 0.00 0.00 177.57 178.13 1ypr h GLU 114 N 0.29 0.88 -0.27 1.57 4.39 -0.94 -1.72 114.58 118.79 1ypr h GLU 114 Ca 0.06 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 1ypr h GLU 114 Cb 0.62 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 1ypr h GLU 114 CO 0.04 0.58 -0.11 0.37 -1.16 0.00 0.00 179.01 178.73 1ypr h GLN 115 N 0.91 0.45 -0.25 2.33 4.15 -0.88 0.66 115.11 122.47 1ypr h GLN 115 Ca 0.30 -0.12 -0.08 0.00 0.77 0.00 0.00 58.65 59.52 1ypr h GLN 115 Cb 0.08 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 1ypr h GLN 115 CO -0.09 0.56 -0.17 1.25 -1.93 0.00 0.00 178.83 178.46 1ypr h LEU 116 N 0.42 0.58 -0.86 -2.39 6.46 -1.11 -1.95 115.31 116.45 1ypr h LEU 116 Ca 0.08 -0.44 0.04 0.00 -0.12 0.00 0.00 57.88 57.44 1ypr h LEU 116 Cb 0.45 -0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 40.17 1ypr h LEU 116 CO 0.03 0.89 0.55 0.00 -0.62 0.00 0.00 178.44 179.29 1ypr h ALA 117 N 0.71 1.15 -0.17 1.25 0.00 -0.93 -0.60 119.26 120.67 1ypr h ALA 117 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ypr h ALA 117 Cb 0.69 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1ypr h ALA 117 CO 0.05 0.38 0.11 -0.44 0.00 0.00 0.00 179.25 179.34 1ypr h ASP 118 N 1.06 0.20 0.05 0.00 3.32 -0.68 -0.96 116.42 119.41 1ypr h ASP 118 Ca 0.35 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.39 1ypr h ASP 118 Cb 0.04 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1ypr h ASP 118 CO -0.13 0.15 -0.07 0.22 -1.72 0.00 0.00 179.24 177.69 1ypr h TYR 119 N 0.22 -0.18 -0.45 4.55 3.20 -0.76 -1.15 116.97 122.40 1ypr h TYR 119 Ca 0.06 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1ypr h TYR 119 Cb -0.02 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 1ypr h TYR 119 CO -0.06 -0.11 0.23 -0.07 -1.64 0.00 0.00 178.16 176.50 1ypr h LEU 120 N -0.15 0.58 -0.26 2.82 3.38 -1.03 -2.89 115.31 117.76 1ypr h LEU 120 Ca 0.01 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1ypr h LEU 120 Cb 0.16 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1ypr h LEU 120 CO -0.04 0.53 0.14 0.40 0.09 0.00 0.00 178.44 179.57 1ypr h ILE 121 N 0.59 1.02 0.00 1.22 2.04 -1.03 0.22 117.51 121.57 1ypr h ILE 121 Ca 0.16 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.91 1ypr h ILE 121 Cb 0.10 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1ypr h ILE 121 CO -0.02 0.05 0.00 0.61 0.00 0.00 0.00 178.15 178.79 1ypr n GLY 122 N -1.17 -0.79 0.65 5.37 0.00 -0.45 -1.23 105.19 107.58 1ypr n GLY 122 Ca -0.02 0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.13 1ypr n GLY 122 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1ypr n VAL 123 N -1.73 2.14 -0.99 1.61 3.14 -0.47 -4.96 118.33 117.06 1ypr n VAL 123 Ca 0.01 -1.96 0.00 0.00 -2.96 0.00 0.00 64.34 59.43 1ypr n VAL 123 Cb 0.08 -0.23 0.00 0.00 -1.06 0.00 0.00 33.84 32.63 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 -0.74 -0.36 0.00 1.45 1.13 -0.36 -5.04 117.38 113.45 1ypr n GLN 124 Ca 0.19 0.09 0.10 0.00 -1.94 0.00 0.00 57.00 55.44 1ypr n GLN 124 Cb 0.81 -3.35 0.08 0.00 0.11 0.00 0.00 30.24 27.89 1ypr n GLN 124 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28