#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h5i s LYS 5 N 0.00 3.76 -0.10 1.97 1.02 -1.26 -2.97 119.74 122.16 3h5i s LYS 5 Ca 0.00 -0.45 0.02 0.00 0.02 0.00 0.00 55.97 55.56 3h5i s LYS 5 Cb 0.00 -3.13 -0.01 0.00 -0.52 0.00 0.00 37.83 34.17 3h5i s LYS 5 CO 0.00 0.13 -0.16 0.42 -0.92 0.00 0.00 175.35 174.82 3h5i s ILE 6 N 0.72 2.82 -0.21 2.17 1.01 -0.77 -0.44 121.20 126.51 3h5i s ILE 6 Ca 0.01 -0.76 -0.08 0.00 0.00 0.00 0.00 60.65 59.82 3h5i s ILE 6 Cb -0.14 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 3h5i s ILE 6 CO 0.02 0.55 0.10 -0.22 0.00 0.00 0.00 174.94 175.38 3h5i s LEU 7 N 0.09 3.85 -0.21 2.97 2.96 -0.53 -0.75 118.68 127.06 3h5i s LEU 7 Ca -0.07 0.04 -0.06 0.00 -0.22 0.00 0.00 54.13 53.82 3h5i s LEU 7 Cb -0.15 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 3h5i s LEU 7 CO 0.05 0.10 0.03 -0.63 -1.32 0.00 0.00 176.35 174.59 3h5i s ILE 8 N 0.81 4.27 -0.25 6.68 1.01 0.29 -0.62 121.20 133.40 3h5i s ILE 8 Ca 0.05 -0.20 0.01 0.00 0.00 0.00 0.00 60.65 60.51 3h5i s ILE 8 Cb -0.13 -2.95 0.05 0.00 0.01 0.00 0.00 42.46 39.44 3h5i s ILE 8 CO 0.02 0.41 -0.10 -0.69 0.00 0.00 0.00 174.94 174.59 3h5i s VAL 9 N 0.97 2.39 -0.27 2.92 1.01 0.22 -0.51 120.40 127.12 3h5i s VAL 9 Ca 0.03 -1.39 -0.19 0.00 0.00 0.00 0.00 61.98 60.43 3h5i s VAL 9 Cb -0.14 -2.31 0.08 0.00 0.00 0.00 0.00 36.38 34.01 3h5i s VAL 9 CO 0.02 0.09 0.69 -0.70 0.00 0.00 0.00 175.10 175.20 3h5i s GLU 10 N 1.19 0.74 0.31 2.72 2.56 -0.80 -0.72 118.70 124.70 3h5i s GLU 10 Ca -0.05 1.13 0.05 0.00 0.00 0.00 0.00 54.97 56.11 3h5i s GLU 10 Cb -0.18 0.22 0.52 0.00 2.00 0.00 0.00 34.13 36.69 3h5i s GLU 10 CO -0.06 -0.13 1.78 0.22 -0.56 0.00 0.00 175.26 176.51 3h5i h ASP 11 N 6.36 0.39 -3.59 -1.70 3.58 -1.86 -3.37 116.42 116.23 3h5i h ASP 11 Ca -0.30 -0.12 -0.65 0.00 0.42 0.00 0.00 57.03 56.39 3h5i h ASP 11 Cb 1.21 -0.10 -0.15 0.00 1.72 0.00 0.00 39.33 42.00 3h5i h ASP 11 CO 0.13 0.61 0.03 -0.55 -2.88 0.00 0.00 179.24 176.59 3h5i s SER 12 N -6.83 6.34 0.38 2.28 0.15 -1.26 -4.93 113.70 109.84 3h5i s SER 12 Ca -0.06 -0.08 0.09 0.00 0.70 0.00 0.00 55.95 56.60 3h5i s SER 12 Cb 0.14 -2.29 0.84 0.00 -1.71 0.00 0.00 66.02 63.00 3h5i s SER 12 CO 0.77 -0.58 1.95 0.50 1.20 0.00 0.00 173.24 177.09 3h5i h LYS 13 N 8.56 0.62 -0.09 5.44 3.64 -1.97 -1.02 116.57 131.75 3h5i h LYS 13 Ca -0.27 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.07 3h5i h LYS 13 Cb 1.11 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.79 3h5i h LYS 13 CO 0.82 0.41 0.05 0.35 -2.27 0.00 0.00 179.45 178.80 3h5i h PHE 14 N 0.64 0.13 -0.44 1.91 3.57 -1.97 0.79 116.94 121.57 3h5i h PHE 14 Ca 0.32 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.81 3h5i h PHE 14 Cb 0.40 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 3h5i h PHE 14 CO -0.00 0.20 0.25 1.96 -2.23 0.00 0.00 178.31 178.49 3h5i h GLN 15 N 0.03 0.60 -0.21 1.11 1.08 -1.88 -0.94 115.11 114.90 3h5i h GLN 15 Ca 0.03 -0.06 0.03 0.00 -1.45 0.00 0.00 58.65 57.20 3h5i h GLN 15 Cb 0.12 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.40 3h5i h GLN 15 CO -0.00 0.46 0.04 0.00 -0.95 0.00 0.00 178.83 178.38 3h5i h ALA 16 N 1.11 0.21 -0.35 3.87 0.00 -0.99 -0.80 119.26 122.31 3h5i h ALA 16 Ca 0.16 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3h5i h ALA 16 Cb 0.02 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3h5i h ALA 16 CO -0.03 -0.38 0.01 0.87 0.00 0.00 0.00 179.25 179.72 3h5i h LYS 17 N 0.13 0.54 -0.23 0.00 1.79 -0.71 0.56 116.57 118.64 3h5i h LYS 17 Ca 0.09 -0.11 -0.03 0.00 -2.18 0.00 0.00 60.65 58.42 3h5i h LYS 17 Cb 0.09 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 3h5i h LYS 17 CO -0.12 0.56 0.02 1.15 -1.08 0.00 0.00 179.45 179.98 3h5i h THR 18 N 0.52 1.24 -0.30 -0.16 2.02 -0.64 -1.14 112.91 114.45 3h5i h THR 18 Ca 0.11 -0.81 -0.03 0.00 0.77 0.00 0.00 66.41 66.45 3h5i h THR 18 Cb 0.32 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 3h5i h THR 18 CO 0.01 0.25 0.05 0.40 0.37 0.00 0.00 175.52 176.61 3h5i h ILE 19 N 0.19 1.23 -0.72 3.11 2.04 -0.99 -2.74 117.51 119.63 3h5i h ILE 19 Ca 0.07 -0.78 0.12 0.00 1.00 0.00 0.00 64.86 65.26 3h5i h ILE 19 Cb 0.36 1.17 -0.08 0.00 -0.74 0.00 0.00 36.82 37.52 3h5i h ILE 19 CO 0.01 0.26 0.31 0.00 0.00 0.00 0.00 178.15 178.72 3h5i h ALA 20 N 0.88 0.99 -0.65 1.87 0.00 -0.77 -0.84 119.26 120.75 3h5i h ALA 20 Ca 0.09 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3h5i h ALA 20 Cb 0.33 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3h5i h ALA 20 CO 0.00 -0.15 0.35 -0.91 0.00 0.00 0.00 179.25 178.54 3h5i h ASN 21 N 0.49 0.82 -0.14 0.00 2.35 -1.14 0.14 115.58 118.09 3h5i h ASN 21 Ca 0.38 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 3h5i h ASN 21 Cb 0.51 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 3h5i h ASN 21 CO -0.35 0.68 0.09 0.40 -1.65 0.00 0.00 177.43 176.61 3h5i h ILE 22 N 0.89 1.05 -0.68 2.81 2.04 -1.10 -2.22 117.51 120.30 3h5i h ILE 22 Ca 0.23 -0.11 -0.05 0.00 1.00 0.00 0.00 64.86 65.93 3h5i h ILE 22 Cb 0.06 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 3h5i h ILE 22 CO -0.03 0.05 0.25 -0.07 0.00 0.00 0.00 178.15 178.34 3h5i h LEU 23 N 0.18 0.96 -1.54 1.44 3.38 -0.81 -2.43 115.31 116.49 3h5i h LEU 23 Ca 0.05 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.84 3h5i h LEU 23 Cb -0.00 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3h5i h LEU 23 CO -0.01 0.89 0.32 0.78 0.09 0.00 0.00 178.44 180.51 3h5i h ASN 24 N 0.98 0.53 0.07 -0.43 -0.26 -0.59 -1.68 115.58 114.20 3h5i h ASN 24 Ca 0.22 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.94 3h5i h ASN 24 Cb 0.25 -0.13 -0.00 0.00 -1.06 0.00 0.00 38.32 37.38 3h5i h ASN 24 CO -0.01 0.38 -0.06 0.50 -1.06 0.00 0.00 177.43 177.18 3h5i h LYS 25 N 0.63 0.00 -0.56 0.81 3.64 -0.89 -2.19 116.57 118.01 3h5i h LYS 25 Ca 0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3h5i h LYS 25 Cb -0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3h5i h LYS 25 CO -0.04 0.06 0.00 0.66 -2.27 0.00 0.00 179.45 177.86 3h5i n TYR 26 N -4.35 0.74 -0.06 1.91 4.01 -0.68 -4.95 117.16 113.79 3h5i n TYR 26 Ca -0.03 -0.37 0.00 0.00 -0.16 0.00 0.00 57.90 57.34 3h5i n TYR 26 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 3h5i n TYR 26 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3h5i n GLY 27 N 1.53 0.83 3.80 2.72 0.00 -0.82 -5.08 105.19 108.16 3h5i n GLY 27 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 3h5i n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h5i s TYR 28 N -2.04 3.81 0.06 1.61 2.02 -0.95 -4.83 117.35 117.04 3h5i s TYR 28 Ca 0.00 1.48 -0.17 0.00 -0.37 0.00 0.00 57.07 58.01 3h5i s TYR 28 Cb 0.00 -2.66 -0.06 0.00 -0.40 0.00 0.00 41.96 38.83 3h5i s TYR 28 CO 0.00 0.48 0.51 0.95 -1.57 0.00 0.00 175.55 175.91 3h5i s THR 29 N -1.26 4.86 -0.02 -0.71 -4.23 -1.16 -3.94 115.64 109.19 3h5i s THR 29 Ca 0.37 1.00 0.03 0.00 -1.18 0.00 0.00 61.69 61.91 3h5i s THR 29 Cb -0.20 -3.80 -0.00 0.00 1.34 0.00 0.00 72.50 69.83 3h5i s THR 29 CO 0.23 0.50 -0.11 -0.69 -0.54 0.00 0.00 174.62 174.00 3h5i s VAL 30 N -1.18 0.94 0.10 2.29 1.01 -1.26 -1.84 120.40 120.46 3h5i s VAL 30 Ca 0.29 -0.48 0.08 0.00 0.00 0.00 0.00 61.98 61.87 3h5i s VAL 30 Cb -0.18 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 3h5i s VAL 30 CO 0.17 0.28 -0.17 -1.61 0.00 0.00 0.00 175.10 173.77 3h5i s GLU 31 N -0.07 1.89 -0.10 2.72 0.41 0.07 -4.97 118.70 118.66 3h5i s GLU 31 Ca 0.01 -1.12 0.03 0.00 -0.41 0.00 0.00 54.97 53.48 3h5i s GLU 31 Cb -0.07 -2.15 -0.01 0.00 -1.78 0.00 0.00 34.13 30.12 3h5i s GLU 31 CO 0.00 0.50 -0.20 0.42 -0.49 0.00 0.00 175.26 175.49 3h5i s ILE 32 N -1.10 2.47 -0.10 -1.63 1.01 -1.26 -0.54 121.20 120.04 3h5i s ILE 32 Ca 0.18 -0.89 0.03 0.00 0.00 0.00 0.00 60.65 59.97 3h5i s ILE 32 Cb -0.11 -1.97 -0.01 0.00 0.01 0.00 0.00 42.46 40.39 3h5i s ILE 32 CO 0.09 0.55 -0.21 0.00 0.00 0.00 0.00 174.94 175.38 3h5i s ALA 33 N 0.14 2.32 -2.52 9.38 0.00 0.33 -4.96 121.76 126.45 3h5i s ALA 33 Ca -0.10 -0.96 0.25 0.00 0.00 0.00 0.00 51.96 51.15 3h5i s ALA 33 Cb -0.16 -0.91 0.42 0.00 0.00 0.00 0.00 23.12 22.47 3h5i s ALA 33 CO 0.06 0.31 1.38 1.28 0.00 0.00 0.00 175.76 178.79 3h5i n LEU 34 N 3.38 2.19 -4.12 0.00 4.77 -1.26 -1.90 117.00 120.06 3h5i n LEU 34 Ca -0.18 -0.74 -0.08 0.00 -0.03 0.00 0.00 56.01 54.97 3h5i n LEU 34 Cb 0.53 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 3h5i n LEU 34 CO 0.28 0.38 -0.37 0.42 -1.33 0.00 0.00 177.39 176.77 3h5i s THR 35 N -2.17 0.41 0.30 -5.08 -4.23 -1.26 -4.17 115.64 99.45 3h5i s THR 35 Ca 0.28 -1.86 0.05 0.00 -1.18 0.00 0.00 61.69 58.97 3h5i s THR 35 Cb 0.20 -1.59 0.08 0.00 1.34 0.00 0.00 72.50 72.52 3h5i s THR 35 CO 0.40 -0.94 1.75 1.23 -0.54 0.00 0.00 174.62 176.51 3h5i h GLY 36 N 3.07 0.41 0.95 3.99 0.00 -1.90 -2.66 103.07 106.94 3h5i h GLY 36 Ca -0.35 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 46.62 3h5i h GLY 36 CO 0.65 0.31 0.14 0.83 0.00 0.00 0.00 176.54 178.47 3h5i h GLU 37 N 0.34 0.67 -0.87 4.80 3.07 -1.96 -1.05 114.58 119.57 3h5i h GLU 37 Ca 0.05 -0.14 0.08 0.00 -0.50 0.00 0.00 59.36 58.85 3h5i h GLU 37 Cb 0.65 -0.10 -0.07 0.00 -0.84 0.00 0.00 28.75 28.40 3h5i h GLU 37 CO 0.05 0.65 0.53 0.00 -1.40 0.00 0.00 179.01 178.84 3h5i h ALA 38 N 0.99 1.23 -0.24 3.43 0.00 -1.94 -0.85 119.26 121.87 3h5i h ALA 38 Ca 0.14 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3h5i h ALA 38 Cb 0.25 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3h5i h ALA 38 CO -0.01 0.22 0.08 0.00 0.00 0.00 0.00 179.25 179.55 3h5i h ALA 39 N 1.44 0.32 -0.79 0.00 0.00 -1.06 -1.04 119.26 118.12 3h5i h ALA 39 Ca 0.40 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 3h5i h ALA 39 Cb 0.27 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3h5i h ALA 39 CO -0.21 -0.07 0.33 0.28 0.00 0.00 0.00 179.25 179.58 3h5i h VAL 40 N 0.23 1.26 -0.73 0.00 2.07 -0.97 -1.58 116.25 116.53 3h5i h VAL 40 Ca 0.08 -0.80 -0.07 0.00 0.82 0.00 0.00 66.70 66.73 3h5i h VAL 40 Cb 0.21 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 3h5i h VAL 40 CO -0.00 0.33 0.20 -0.08 0.02 0.00 0.00 177.57 178.04 3h5i h GLU 41 N 1.15 1.15 -0.13 1.57 4.81 -0.95 0.71 114.58 122.89 3h5i h GLU 41 Ca 0.27 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3h5i h GLU 41 Cb 0.20 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 3h5i h GLU 41 CO -0.02 0.99 -0.00 -0.22 -0.73 0.00 0.00 179.01 179.03 3h5i h LYS 42 N 1.10 0.23 -0.15 1.92 3.64 -0.85 -0.46 116.57 122.00 3h5i h LYS 42 Ca 0.23 -0.08 -0.08 0.00 -1.27 0.00 0.00 60.65 59.46 3h5i h LYS 42 Cb 0.34 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3h5i h LYS 42 CO -0.00 0.48 -0.21 0.28 -2.27 0.00 0.00 179.45 177.73 3h5i h VAL 43 N -0.04 1.36 0.00 2.00 2.07 -1.16 -2.78 116.25 117.70 3h5i h VAL 43 Ca 0.04 -1.42 -0.05 0.00 0.82 0.00 0.00 66.70 66.09 3h5i h VAL 43 Cb 0.38 1.94 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 3h5i h VAL 43 CO 0.01 0.42 -0.22 0.77 0.02 0.00 0.00 177.57 178.57 3h5i h SER 44 N 0.01 0.00 0.43 0.57 4.64 -0.90 -0.82 113.55 117.48 3h5i h SER 44 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3h5i h SER 44 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3h5i h SER 44 CO 0.05 0.22 0.00 0.61 -0.87 0.00 0.00 176.83 176.84 3h5i n GLY 45 N -0.86 -1.03 0.00 -0.77 0.00 -0.18 -4.88 105.19 97.46 3h5i n GLY 45 Ca -0.02 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3h5i n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h5i n GLY 46 N -0.48 1.33 3.38 -0.02 0.00 -0.32 -5.06 105.19 104.03 3h5i n GLY 46 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 3h5i n GLY 46 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3h5i s TRP 47 N -2.00 3.23 -0.30 1.61 -0.00 -1.06 -5.03 118.94 115.39 3h5i s TRP 47 Ca 0.00 -0.90 -0.08 0.00 -0.00 0.00 0.00 56.10 55.12 3h5i s TRP 47 Cb 0.00 -2.41 0.01 0.00 -0.00 0.00 0.00 33.47 31.06 3h5i s TRP 47 CO 0.00 -0.61 0.10 0.71 -0.00 0.00 0.00 176.95 177.15 3h5i s TYR 48 N 1.56 3.16 0.63 5.86 1.51 -1.26 -3.81 117.35 125.00 3h5i s TYR 48 Ca 0.02 -0.89 -0.11 0.00 -1.01 0.00 0.00 57.07 55.08 3h5i s TYR 48 Cb -0.19 -2.28 -0.03 0.00 -0.11 0.00 0.00 41.96 39.35 3h5i s TYR 48 CO 0.06 -0.55 1.03 -1.25 -1.11 0.00 0.00 175.55 173.73 3h5i s PRO 49 N 1.53 3.42 0.44 -1.71 0.04 -1.26 -4.95 135.00 132.51 3h5i s PRO 49 Ca 0.03 0.65 0.26 0.00 0.04 0.00 0.00 61.00 61.98 3h5i s PRO 49 Cb -0.17 -2.08 0.66 0.00 0.04 0.00 0.00 34.50 32.95 3h5i s PRO 49 CO 0.03 -0.66 1.72 -0.44 0.04 0.00 0.00 177.00 177.70 3h5i h ASP 50 N -0.37 0.00 -4.01 6.66 3.32 -1.13 -3.47 116.42 117.42 3h5i h ASP 50 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 3h5i h ASP 50 Cb 1.21 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.53 3h5i h ASP 50 CO 0.62 0.00 0.29 -0.22 -1.72 0.00 0.00 179.24 178.21 3h5i s LEU 51 N -6.01 -0.59 -0.15 1.55 0.20 -1.17 -4.34 118.68 108.17 3h5i s LEU 51 Ca 0.06 0.99 -0.01 0.00 0.69 0.00 0.00 54.13 55.85 3h5i s LEU 51 Cb 0.07 2.24 -0.01 0.00 -0.43 0.00 0.00 46.19 48.05 3h5i s LEU 51 CO 0.62 -0.31 -0.11 -0.63 -0.29 0.00 0.00 176.35 175.63 3h5i s ILE 52 N -0.21 3.15 -0.36 6.68 1.01 -0.41 -1.45 121.20 129.61 3h5i s ILE 52 Ca -0.02 -0.62 -0.13 0.00 0.00 0.00 0.00 60.65 59.89 3h5i s ILE 52 Cb -0.03 -2.35 -0.00 0.00 0.01 0.00 0.00 42.46 40.09 3h5i s ILE 52 CO 0.01 0.51 0.25 -0.76 0.00 0.00 0.00 174.94 174.95 3h5i s LEU 53 N 0.53 4.67 -0.23 2.97 1.43 0.20 -0.99 118.68 127.27 3h5i s LEU 53 Ca -0.08 -0.58 0.01 0.00 -1.03 0.00 0.00 54.13 52.45 3h5i s LEU 53 Cb -0.15 -2.13 0.03 0.00 0.03 0.00 0.00 46.19 43.97 3h5i s LEU 53 CO 0.04 -0.30 -0.12 -0.32 0.23 0.00 0.00 176.35 175.88 3h5i s MET 54 N 1.70 2.71 0.18 1.70 1.75 0.13 -0.61 119.30 126.86 3h5i s MET 54 Ca 0.06 -1.04 -0.32 0.00 -1.25 0.00 0.00 55.69 53.14 3h5i s MET 54 Cb -0.18 -2.81 -0.12 0.00 2.84 0.00 0.00 34.83 34.56 3h5i s MET 54 CO 0.10 -0.38 1.77 -3.47 -0.65 0.00 0.00 175.02 172.39 3h5i n ASP 55 N 4.58 4.02 -0.15 1.11 2.03 0.10 -0.45 116.55 127.79 3h5i n ASP 55 Ca -0.17 1.03 -0.08 0.00 0.52 0.00 0.00 54.79 56.08 3h5i n ASP 55 Cb 0.47 -1.56 0.00 0.00 -0.72 0.00 0.00 41.12 39.30 3h5i n ASP 55 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3h5i h ILE 56 N 4.14 1.19 0.01 5.18 2.04 -1.68 -3.28 117.51 125.10 3h5i h ILE 56 Ca -0.44 -0.55 -0.00 0.00 1.00 0.00 0.00 64.86 64.87 3h5i h ILE 56 Cb 1.21 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 3h5i h ILE 56 CO 0.95 0.21 -0.01 -0.33 0.00 0.00 0.00 178.15 178.98 3h5i h GLU 57 N 0.58 -0.01 0.00 2.37 5.08 -1.91 0.13 114.58 120.80 3h5i h GLU 57 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3h5i h GLU 57 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3h5i h GLU 57 CO -0.02 0.67 0.00 1.28 -1.00 0.00 0.00 179.01 179.95 3h5i n LEU 58 N -4.68 0.00 0.00 1.33 4.77 -1.26 -4.21 117.00 112.95 3h5i n LEU 58 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 3h5i n LEU 58 Cb 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 3h5i n LEU 58 CO 0.25 -0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.75 3h5i n GLY 59 N 0.00 1.67 0.20 -0.72 0.00 -1.26 -4.86 105.19 100.21 3h5i n GLY 59 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3h5i n GLY 59 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3h5i h GLU 60 N 0.00 0.00 0.00 1.61 -0.00 -1.98 -3.46 114.58 110.75 3h5i h GLU 60 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 3h5i h GLU 60 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 3h5i h GLU 60 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 179.01 179.42 3h5i n GLY 61 N 1.12 0.99 3.69 1.06 0.00 -1.26 -5.02 105.19 105.77 3h5i n GLY 61 Ca 0.03 -1.68 -0.39 0.00 0.00 0.00 0.00 46.02 43.98 3h5i n GLY 61 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3h5i n MET 62 N 0.00 1.52 -2.40 1.61 -0.00 -1.26 -5.02 117.12 111.56 3h5i n MET 62 Ca 0.00 0.56 -0.25 0.00 -0.00 0.00 0.00 57.70 58.00 3h5i n MET 62 Cb 0.00 -2.38 0.13 0.00 -0.00 0.00 0.00 33.22 30.97 3h5i n MET 62 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 3h5i s ASP 63 N -0.89 4.03 0.32 3.17 1.47 -1.26 -4.47 116.67 119.03 3h5i s ASP 63 Ca 0.69 -0.17 0.12 0.00 1.18 0.00 0.00 52.55 54.38 3h5i s ASP 63 Cb -0.45 -0.12 0.53 0.00 -0.34 0.00 0.00 42.92 42.54 3h5i s ASP 63 CO 0.51 -2.09 1.70 1.23 0.68 0.00 0.00 175.17 177.20 3h5i h GLY 64 N -0.83 0.00 0.91 2.12 0.00 -1.02 -1.24 103.07 103.00 3h5i h GLY 64 Ca -0.39 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.81 3h5i h GLY 64 CO 0.40 0.00 -0.39 -2.08 0.00 0.00 0.00 176.54 174.47 3h5i h VAL 65 N 0.00 1.34 -0.34 4.60 2.07 -1.85 -0.70 116.25 121.37 3h5i h VAL 65 Ca -0.01 -1.63 0.01 0.00 0.82 0.00 0.00 66.70 65.89 3h5i h VAL 65 Cb 0.92 1.92 -0.02 0.00 -1.52 0.00 0.00 31.29 32.59 3h5i h VAL 65 CO 0.07 0.50 0.19 1.56 0.02 0.00 0.00 177.57 179.91 3h5i h GLN 66 N 0.24 0.39 -0.26 1.57 4.20 -1.90 -1.10 115.11 118.25 3h5i h GLN 66 Ca 0.00 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.70 3h5i h GLN 66 Cb 0.99 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.67 3h5i h GLN 66 CO 0.09 0.26 0.16 1.15 -0.67 0.00 0.00 178.83 179.81 3h5i h THR 67 N 0.40 1.04 -0.62 -0.54 2.02 -1.17 -0.90 112.91 113.15 3h5i h THR 67 Ca 0.13 -0.11 0.04 0.00 0.77 0.00 0.00 66.41 67.24 3h5i h THR 67 Cb 0.01 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.06 3h5i h THR 67 CO -0.06 0.06 0.36 0.00 0.37 0.00 0.00 175.52 176.25 3h5i h ALA 68 N 1.11 0.81 -0.50 6.16 0.00 -0.97 -0.82 119.26 125.05 3h5i h ALA 68 Ca 0.10 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3h5i h ALA 68 Cb -0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3h5i h ALA 68 CO -0.04 0.08 -0.03 1.25 0.00 0.00 0.00 179.25 180.51 3h5i h LEU 69 N 0.70 0.83 -0.09 0.00 5.85 -0.88 -0.61 115.31 121.11 3h5i h LEU 69 Ca 0.26 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3h5i h LEU 69 Cb 0.08 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 3h5i h LEU 69 CO -0.13 0.91 0.02 0.00 -0.34 0.00 0.00 178.44 178.90 3h5i h ALA 70 N 1.18 0.11 -0.51 1.25 0.00 -0.89 -3.01 119.26 117.39 3h5i h ALA 70 Ca 0.15 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3h5i h ALA 70 Cb 0.51 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3h5i h ALA 70 CO 0.03 -0.25 0.16 0.82 0.00 0.00 0.00 179.25 180.00 3h5i h ILE 71 N -0.07 1.21 0.00 0.00 2.04 -0.98 -1.90 117.51 117.80 3h5i h ILE 71 Ca 0.03 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.18 3h5i h ILE 71 Cb 0.25 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 3h5i h ILE 71 CO 0.00 0.27 0.00 0.00 0.00 0.00 0.00 178.15 178.42 3h5i n GLN 72 N -4.31 0.21 0.14 2.37 10.64 -0.25 -0.63 117.38 125.54 3h5i n GLN 72 Ca 0.04 0.42 0.01 0.00 -1.83 0.00 0.00 57.00 55.65 3h5i n GLN 72 Cb 0.19 -1.89 0.10 0.00 -0.86 0.00 0.00 30.24 27.79 3h5i n GLN 72 CO 0.00 0.00 0.00 1.96 -1.83 0.00 0.00 177.06 177.19 3h5i h GLN 73 N 0.00 0.00 0.11 2.61 1.08 -1.21 -3.33 115.11 114.36 3h5i h GLN 73 Ca 0.00 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 56.96 3h5i h GLN 73 Cb 0.39 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 3h5i h GLN 73 CO 0.00 0.56 -1.17 0.82 -0.95 0.00 0.00 178.83 178.09 3h5i h ILE 74 N 0.00 1.19 -1.86 2.54 2.04 -0.87 -3.48 117.51 117.06 3h5i h ILE 74 Ca -0.01 -2.42 -0.01 0.00 1.00 0.00 0.00 64.86 63.43 3h5i h ILE 74 Cb 1.29 2.84 -0.22 0.00 -0.74 0.00 0.00 36.82 40.00 3h5i h ILE 74 CO 0.07 0.68 0.27 -0.55 0.00 0.00 0.00 178.15 178.62 3h5i s SER 75 N -6.96 -0.61 -0.78 1.72 0.15 -0.27 -5.08 113.70 101.86 3h5i s SER 75 Ca -0.19 0.96 -0.26 0.00 0.70 0.00 0.00 55.95 57.17 3h5i s SER 75 Cb 0.03 0.90 -0.00 0.00 -1.71 0.00 0.00 66.02 65.24 3h5i s SER 75 CO 0.77 -0.36 1.66 -1.83 1.20 0.00 0.00 173.24 174.68 3h5i s GLU 76 N -0.36 2.92 0.05 5.44 1.03 -1.26 -3.99 118.70 122.53 3h5i s GLU 76 Ca -0.03 -0.11 0.09 0.00 0.03 0.00 0.00 54.97 54.95 3h5i s GLU 76 Cb -0.03 -4.66 -0.03 0.00 -0.80 0.00 0.00 34.13 28.62 3h5i s GLU 76 CO 0.03 -2.65 -0.24 -0.51 -1.33 0.00 0.00 175.26 170.56 3h5i s LEU 77 N 7.77 2.30 0.18 1.83 1.43 -1.26 -5.11 118.68 125.81 3h5i s LEU 77 Ca 0.56 -0.56 -0.30 0.00 -1.03 0.00 0.00 54.13 52.80 3h5i s LEU 77 Cb -0.08 -1.34 -0.08 0.00 0.03 0.00 0.00 46.19 44.71 3h5i s LEU 77 CO 0.09 0.25 1.31 -2.16 0.23 0.00 0.00 176.35 176.07 3h5i s PRO 78 N -1.35 4.39 -0.12 1.29 0.04 -1.26 -4.93 135.00 133.06 3h5i s PRO 78 Ca 0.13 2.03 0.01 0.00 0.04 0.00 0.00 61.00 63.20 3h5i s PRO 78 Cb -0.10 -3.22 -0.01 0.00 0.04 0.00 0.00 34.50 31.21 3h5i s PRO 78 CO 0.03 -0.27 -0.15 0.08 0.04 0.00 0.00 177.00 176.73 3h5i s VAL 79 N 0.33 2.87 -0.16 -0.36 1.01 -1.26 -1.29 120.40 121.54 3h5i s VAL 79 Ca 0.58 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 3h5i s VAL 79 Cb -0.36 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 3h5i s VAL 79 CO 0.36 0.53 -0.11 -0.69 0.00 0.00 0.00 175.10 175.19 3h5i s VAL 80 N 0.32 3.05 0.12 2.92 1.01 -0.16 -0.57 120.40 127.08 3h5i s VAL 80 Ca -0.12 -0.64 -0.22 0.00 0.00 0.00 0.00 61.98 61.00 3h5i s VAL 80 Cb -0.16 -2.31 -0.07 0.00 0.00 0.00 0.00 36.38 33.83 3h5i s VAL 80 CO 0.06 0.50 0.67 -0.36 0.00 0.00 0.00 175.10 175.97 3h5i s PHE 81 N 0.75 3.86 -0.09 5.22 0.08 -0.47 -0.69 117.98 126.63 3h5i s PHE 81 Ca -0.05 1.45 -0.14 0.00 0.12 0.00 0.00 56.93 58.32 3h5i s PHE 81 Cb -0.15 -2.63 -0.05 0.00 -0.57 0.00 0.00 43.02 39.62 3h5i s PHE 81 CO 0.01 0.55 0.34 -0.51 -0.10 0.00 0.00 175.22 175.51 3h5i s LEU 82 N -1.11 4.35 0.07 -0.37 1.43 0.40 -0.63 118.68 122.81 3h5i s LEU 82 Ca 0.32 0.70 0.08 0.00 -1.03 0.00 0.00 54.13 54.21 3h5i s LEU 82 Cb -0.21 -2.45 -0.03 0.00 0.03 0.00 0.00 46.19 43.53 3h5i s LEU 82 CO 0.23 0.21 -0.22 0.42 0.23 0.00 0.00 176.35 177.22 3h5i s THR 83 N -0.27 1.79 -0.50 5.49 -4.23 0.05 -1.74 115.64 116.23 3h5i s THR 83 Ca 0.20 -1.36 0.19 0.00 -1.18 0.00 0.00 61.69 59.54 3h5i s THR 83 Cb -0.14 -1.57 -0.25 0.00 1.34 0.00 0.00 72.50 71.87 3h5i s THR 83 CO 0.08 0.15 0.63 0.00 -0.54 0.00 0.00 174.62 174.94 3h5i n ALA 84 N 1.57 3.67 -2.39 3.99 0.00 -1.26 -0.69 120.51 125.39 3h5i n ALA 84 Ca -0.18 -0.50 -0.29 0.00 0.00 0.00 0.00 53.44 52.47 3h5i n ALA 84 Cb 0.53 -0.68 -0.13 0.00 0.00 0.00 0.00 19.45 19.17 3h5i n ALA 84 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3h5i s HIS 85 N -3.04 2.28 0.24 0.00 3.76 -1.26 -4.95 115.29 112.32 3h5i s HIS 85 Ca 0.01 -0.39 -0.06 0.00 -0.15 0.00 0.00 55.06 54.47 3h5i s HIS 85 Cb 0.13 -1.26 0.24 0.00 1.11 0.00 0.00 32.58 32.81 3h5i s HIS 85 CO 0.79 0.29 1.84 0.00 -0.85 0.00 0.00 174.74 176.81 3h5i h THR 86 N 3.95 1.25 -3.21 1.30 1.03 -2.04 -3.32 112.91 111.88 3h5i h THR 86 Ca -0.50 -0.69 -0.63 0.00 -0.01 0.00 0.00 66.41 64.58 3h5i h THR 86 Cb 1.17 0.19 -0.41 0.00 -1.07 0.00 0.00 68.15 68.03 3h5i h THR 86 CO 0.40 0.30 -0.68 -1.83 -0.01 0.00 0.00 175.52 173.70 3h5i s GLU 87 N -5.69 1.68 0.53 0.00 -1.05 -1.26 -5.12 118.70 107.79 3h5i s GLU 87 Ca -0.12 -2.36 -0.22 0.00 -0.15 0.00 0.00 54.97 52.12 3h5i s GLU 87 Cb 0.16 -2.89 -0.05 0.00 -0.44 0.00 0.00 34.13 30.91 3h5i s GLU 87 CO 0.83 -1.13 1.31 -1.25 0.95 0.00 0.00 175.26 175.96 3h5i s PRO 88 N -0.02 3.25 -0.40 -4.83 0.04 -1.25 -4.95 135.00 126.85 3h5i s PRO 88 Ca 0.17 2.11 -0.28 0.00 0.04 0.00 0.00 61.00 63.04 3h5i s PRO 88 Cb -0.25 -2.27 -0.01 0.00 0.04 0.00 0.00 34.50 32.01 3h5i s PRO 88 CO 0.00 -1.06 1.74 0.00 0.04 0.00 0.00 177.00 177.72 3h5i s ALA 89 N -1.37 2.75 -0.24 8.56 0.00 -1.26 -4.96 121.76 125.24 3h5i s ALA 89 Ca 0.70 -0.01 -0.05 0.00 0.00 0.00 0.00 51.96 52.61 3h5i s ALA 89 Cb -0.37 -4.06 -0.00 0.00 0.00 0.00 0.00 23.12 18.68 3h5i s ALA 89 CO 0.44 -2.85 -0.01 0.08 0.00 0.00 0.00 175.76 173.42 3h5i s VAL 90 N 7.08 3.53 0.66 0.00 1.01 -1.26 -4.93 120.40 126.50 3h5i s VAL 90 Ca 0.74 -0.59 -0.15 0.00 0.00 0.00 0.00 61.98 61.98 3h5i s VAL 90 Cb -0.19 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.50 3h5i s VAL 90 CO 0.31 0.30 1.12 0.68 0.00 0.00 0.00 175.10 177.51 3h5i s VAL 91 N 1.47 3.18 0.56 2.92 -7.23 -1.26 -4.91 120.40 115.13 3h5i s VAL 91 Ca 0.04 0.55 0.26 0.00 -1.81 0.00 0.00 61.98 61.03 3h5i s VAL 91 Cb -0.15 -3.08 0.37 0.00 0.56 0.00 0.00 36.38 34.08 3h5i s VAL 91 CO -0.01 -0.34 2.04 -0.08 -0.31 0.00 0.00 175.10 176.40 3h5i h GLU 92 N 0.03 0.00 0.00 4.82 4.81 -2.04 -1.49 114.58 120.70 3h5i h GLU 92 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3h5i h GLU 92 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 3h5i h GLU 92 CO 0.54 0.00 0.00 -0.22 -0.73 0.00 0.00 179.01 178.60 3h5i h LYS 93 N 0.00 0.00 -0.75 1.92 3.64 -2.00 -2.62 116.57 116.76 3h5i h LYS 93 Ca 0.16 0.00 0.22 0.00 -1.27 0.00 0.00 60.65 59.76 3h5i h LYS 93 Cb 0.74 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.53 3h5i h LYS 93 CO -0.00 0.00 0.57 0.97 -2.27 0.00 0.00 179.45 178.72 3h5i h ILE 94 N 0.00 0.55 -0.24 2.00 6.09 -1.63 -0.17 117.51 124.11 3h5i h ILE 94 Ca 0.00 0.00 0.07 0.00 -1.37 0.00 0.00 64.86 63.56 3h5i h ILE 94 Cb 0.02 0.60 -0.01 0.00 0.47 0.00 0.00 36.82 37.89 3h5i h ILE 94 CO 0.00 0.00 0.28 0.08 -3.07 0.00 0.00 178.15 175.44 3h5i h ARG 95 N 0.00 0.00 -0.02 2.19 0.11 -1.72 -1.90 114.38 113.05 3h5i h ARG 95 Ca 0.36 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.44 3h5i h ARG 95 Cb 1.49 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.57 3h5i h ARG 95 CO -0.00 0.00 -0.30 0.43 0.10 0.00 0.00 179.97 180.20 3h5i n SER 96 N -3.72 1.95 -4.73 0.08 7.64 -0.08 -4.94 113.62 109.83 3h5i n SER 96 Ca 0.03 -1.47 -0.35 0.00 1.01 0.00 0.00 58.87 58.08 3h5i n SER 96 Cb 0.42 0.27 -0.08 0.00 -1.01 0.00 0.00 64.21 63.80 3h5i n SER 96 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3h5i s VAL 97 N -2.35 5.02 -0.45 0.44 1.01 -0.72 -4.98 120.40 118.37 3h5i s VAL 97 Ca 0.23 0.04 -0.24 0.00 0.00 0.00 0.00 61.98 62.00 3h5i s VAL 97 Cb 0.19 -3.22 0.03 0.00 0.00 0.00 0.00 36.38 33.38 3h5i s VAL 97 CO 0.49 0.53 0.87 -0.89 0.00 0.00 0.00 175.10 176.09 3h5i s THR 98 N -0.24 4.55 -0.11 3.92 2.01 -1.26 -5.00 115.64 119.51 3h5i s THR 98 Ca 0.09 0.65 -0.05 0.00 0.31 0.00 0.00 61.69 62.70 3h5i s THR 98 Cb -0.12 -4.38 -0.04 0.00 0.01 0.00 0.00 72.50 67.97 3h5i s THR 98 CO 0.01 -0.77 0.07 0.00 -0.69 0.00 0.00 174.62 173.25 3h5i s ALA 99 N 3.55 3.58 -0.97 7.40 0.00 -1.26 -4.33 121.76 129.74 3h5i s ALA 99 Ca 0.34 -0.72 0.21 0.00 0.00 0.00 0.00 51.96 51.79 3h5i s ALA 99 Cb -0.11 -1.74 -0.19 0.00 0.00 0.00 0.00 23.12 21.08 3h5i s ALA 99 CO 0.24 0.59 0.92 0.66 0.00 0.00 0.00 175.76 178.17 3h5i n TYR 100 N 2.10 0.00 0.00 0.00 4.02 0.26 -4.98 117.16 118.57 3h5i n TYR 100 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.70 3h5i n TYR 100 Cb 0.54 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.83 3h5i n TYR 100 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3h5i n GLY 101 N 1.49 1.01 2.88 2.72 0.00 -1.25 -4.89 105.19 107.15 3h5i n GLY 101 Ca 0.04 -0.89 -0.17 0.00 0.00 0.00 0.00 46.02 45.00 3h5i n GLY 101 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h5i s TYR 102 N -2.00 0.46 -0.01 1.61 2.02 -1.26 -1.37 117.35 116.81 3h5i s TYR 102 Ca 0.00 -0.08 0.01 0.00 -0.37 0.00 0.00 57.07 56.63 3h5i s TYR 102 Cb 0.00 -0.43 -0.00 0.00 -0.40 0.00 0.00 41.96 41.13 3h5i s TYR 102 CO 0.00 -0.11 -0.04 0.54 -1.57 0.00 0.00 175.55 174.38 3h5i s VAL 103 N 0.65 0.30 0.27 0.71 0.11 0.19 -4.97 120.40 117.67 3h5i s VAL 103 Ca -0.07 -0.15 -0.29 0.00 -2.93 0.00 0.00 61.98 58.53 3h5i s VAL 103 Cb -0.10 -0.27 -0.10 0.00 -1.53 0.00 0.00 36.38 34.38 3h5i s VAL 103 CO -0.01 0.09 1.32 -0.04 -3.33 0.00 0.00 175.10 173.13 3h5i s MET 104 N -0.01 4.37 0.59 1.54 -1.94 -1.26 -0.77 119.30 121.82 3h5i s MET 104 Ca 0.01 2.15 0.35 0.00 -1.71 0.00 0.00 55.69 56.48 3h5i s MET 104 Cb -0.02 -3.13 1.85 0.00 2.01 0.00 0.00 34.83 35.54 3h5i s MET 104 CO -0.00 -0.22 2.20 0.87 -0.01 0.00 0.00 175.02 177.86 3h5i h LYS 105 N 4.36 0.00 -0.16 2.03 1.57 -1.27 -0.74 116.57 122.37 3h5i h LYS 105 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3h5i h LYS 105 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3h5i h LYS 105 CO 0.72 0.04 0.00 -1.13 -0.57 0.00 0.00 179.45 178.50 3h5i n SER 106 N -3.42 1.20 -4.77 0.86 3.41 -1.26 -4.96 113.62 104.68 3h5i n SER 106 Ca -0.02 -1.74 -0.33 0.00 -0.26 0.00 0.00 58.87 56.52 3h5i n SER 106 Cb 0.16 -0.10 0.05 0.00 -0.26 0.00 0.00 64.21 64.06 3h5i n SER 106 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h5i s ALA 107 N -1.80 2.45 0.85 7.33 0.00 -0.28 -5.01 121.76 125.29 3h5i s ALA 107 Ca 0.26 0.50 -0.11 0.00 0.00 0.00 0.00 51.96 52.61 3h5i s ALA 107 Cb 0.14 -3.31 0.11 0.00 0.00 0.00 0.00 23.12 20.05 3h5i s ALA 107 CO 0.20 -1.33 1.16 0.95 0.00 0.00 0.00 175.76 176.74 3h5i s THR 108 N -2.42 2.27 0.31 0.00 -4.23 -1.26 -4.83 115.64 105.48 3h5i s THR 108 Ca 0.66 0.10 0.07 0.00 -1.18 0.00 0.00 61.69 61.34 3h5i s THR 108 Cb -0.20 -2.33 0.31 0.00 1.34 0.00 0.00 72.50 71.62 3h5i s THR 108 CO 0.43 -0.10 1.78 -0.33 -0.54 0.00 0.00 174.62 175.86 3h5i h GLU 109 N -1.36 0.73 -0.35 3.99 5.08 -1.99 -2.11 114.58 118.57 3h5i h GLU 109 Ca -0.44 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 57.79 3h5i h GLU 109 Cb 1.27 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 3h5i h GLU 109 CO 0.45 0.48 -0.10 1.96 -1.00 0.00 0.00 179.01 180.79 3h5i h GLN 110 N 0.75 0.68 -0.40 2.33 7.50 -1.99 0.02 115.11 124.00 3h5i h GLN 110 Ca 0.57 -0.27 -0.07 0.00 0.50 0.00 0.00 58.65 59.38 3h5i h GLN 110 Cb 0.91 -0.03 -0.01 0.00 0.05 0.00 0.00 27.48 28.40 3h5i h GLN 110 CO -0.37 0.86 -0.04 0.28 -1.50 0.00 0.00 178.83 178.06 3h5i h VAL 111 N 0.47 1.27 -0.04 -0.54 2.07 -1.88 -1.98 116.25 115.62 3h5i h VAL 111 Ca 0.08 -1.09 -0.00 0.00 0.82 0.00 0.00 66.70 66.52 3h5i h VAL 111 Cb 0.62 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.56 3h5i h VAL 111 CO 0.04 0.36 0.01 0.25 0.02 0.00 0.00 177.57 178.25 3h5i h LEU 112 N 0.55 0.06 -0.94 2.57 5.85 -1.15 -2.34 115.31 119.91 3h5i h LEU 112 Ca 0.11 -0.26 -0.10 0.00 0.84 0.00 0.00 57.88 58.47 3h5i h LEU 112 Cb 0.54 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 3h5i h LEU 112 CO 0.03 0.30 -0.34 0.40 -0.34 0.00 0.00 178.44 178.49 3h5i h ILE 113 N -0.18 1.29 -0.58 4.05 1.08 -1.06 -2.02 117.51 120.09 3h5i h ILE 113 Ca 0.01 -1.40 -0.04 0.00 -0.39 0.00 0.00 64.86 63.05 3h5i h ILE 113 Cb 0.26 1.53 -0.02 0.00 -3.07 0.00 0.00 36.82 35.52 3h5i h ILE 113 CO 0.00 0.43 0.20 0.74 -0.69 0.00 0.00 178.15 178.83 3h5i h THR 114 N 0.31 1.23 -0.43 -0.27 2.02 -1.27 -0.60 112.91 113.91 3h5i h THR 114 Ca 0.04 -0.76 -0.05 0.00 0.77 0.00 0.00 66.41 66.41 3h5i h THR 114 Cb 0.75 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 3h5i h THR 114 CO 0.06 0.29 0.09 0.40 0.37 0.00 0.00 175.52 176.73 3h5i h ILE 115 N 0.81 1.24 -0.14 3.11 1.08 -1.19 -0.40 117.51 122.01 3h5i h ILE 115 Ca 0.19 -0.84 0.03 0.00 -0.39 0.00 0.00 64.86 63.84 3h5i h ILE 115 Cb 0.25 0.97 -0.03 0.00 -3.07 0.00 0.00 36.82 34.94 3h5i h ILE 115 CO -0.01 0.29 -0.03 0.58 -0.69 0.00 0.00 178.15 178.29 3h5i h VAL 116 N 0.56 0.86 -0.45 1.67 2.07 -1.18 -0.53 116.25 119.26 3h5i h VAL 116 Ca 0.13 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.60 3h5i h VAL 116 Cb 0.35 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3h5i h VAL 116 CO 0.00 0.00 0.07 -0.33 0.02 0.00 0.00 177.57 177.34 3h5i h GLU 117 N -0.00 0.75 -0.40 1.57 4.39 -0.89 -1.45 114.58 118.54 3h5i h GLU 117 Ca 0.07 -0.20 -0.08 0.00 0.34 0.00 0.00 59.36 59.49 3h5i h GLU 117 Cb 0.10 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 3h5i h GLU 117 CO -0.14 0.77 -0.05 0.52 -1.16 0.00 0.00 179.01 178.95 3h5i h MET 118 N 0.61 0.74 -0.86 2.33 2.86 -1.03 -2.65 114.93 116.93 3h5i h MET 118 Ca 0.14 -0.26 0.04 0.00 -2.06 0.00 0.00 59.70 57.56 3h5i h MET 118 Cb 0.39 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.94 3h5i h MET 118 CO 0.01 0.85 0.55 0.00 1.06 0.00 0.00 176.91 179.38 3h5i h ALA 119 N 0.86 1.16 -0.38 6.32 0.00 -0.84 0.15 119.26 126.53 3h5i h ALA 119 Ca 0.11 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3h5i h ALA 119 Cb 0.55 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3h5i h ALA 119 CO 0.03 0.36 0.24 -0.07 0.00 0.00 0.00 179.25 179.81 3h5i h LEU 120 N 1.05 0.41 -0.20 0.00 3.38 -1.15 -0.29 115.31 118.50 3h5i h LEU 120 Ca 0.36 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 58.17 3h5i h LEU 120 Cb 0.06 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3h5i h LEU 120 CO -0.14 0.30 -0.45 0.03 0.09 0.00 0.00 178.44 178.27 3h5i h ARG 121 N 0.49 0.66 -0.22 1.13 3.08 -1.06 -2.93 114.38 115.53 3h5i h ARG 121 Ca 0.14 -0.44 0.02 0.00 0.07 0.00 0.00 59.98 59.76 3h5i h ARG 121 Cb -0.04 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 3h5i h ARG 121 CO -0.04 1.06 0.15 -0.07 -1.07 0.00 0.00 179.97 180.00 3h5i h LEU 122 N 0.36 0.20 0.14 3.04 3.38 -0.62 -1.89 115.31 119.92 3h5i h LEU 122 Ca 0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3h5i h LEU 122 Cb 1.06 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3h5i h LEU 122 CO 0.10 0.15 -0.07 0.22 0.09 0.00 0.00 178.44 178.93 3h5i h TYR 123 N 0.24 -0.17 -0.71 1.13 3.20 -0.92 -2.17 116.97 117.57 3h5i h TYR 123 Ca 0.09 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.07 3h5i h TYR 123 Cb 0.06 0.06 -0.08 0.00 1.54 0.00 0.00 36.73 38.30 3h5i h TYR 123 CO -0.00 0.20 0.29 0.93 -1.64 0.00 0.00 178.16 177.94 3h5i h GLU 124 N -0.58 0.44 -0.61 1.82 5.08 -1.36 0.54 114.58 119.90 3h5i h GLU 124 Ca -0.02 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.35 3h5i h GLU 124 Cb 0.45 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 3h5i h GLU 124 CO 0.03 0.29 0.36 0.00 -1.00 0.00 0.00 179.01 178.70 3h5i h ALA 125 N 1.49 0.80 0.17 3.43 0.00 -1.28 -0.38 119.26 123.50 3h5i h ALA 125 Ca 0.37 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 55.02 3h5i h ALA 125 Cb 0.51 -0.16 0.03 0.00 0.00 0.00 0.00 17.79 18.17 3h5i h ALA 125 CO -0.36 0.08 -1.12 -0.91 0.00 0.00 0.00 179.25 176.94 3h5i h ASN 126 N 0.70 0.69 0.38 0.00 2.35 -1.02 -3.33 115.58 115.36 3h5i h ASN 126 Ca 0.25 -0.90 -0.04 0.00 -0.55 0.00 0.00 56.30 55.06 3h5i h ASN 126 Cb 0.07 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 3h5i h ASN 126 CO -0.12 1.54 -0.21 -0.37 -1.65 0.00 0.00 177.43 176.61 3h5i h VAL 127 N -0.04 0.87 0.00 2.81 -1.51 0.10 -3.51 116.25 114.97 3h5i h VAL 127 Ca -0.19 -0.81 0.00 0.00 -1.23 0.00 0.00 66.70 64.47 3h5i h VAL 127 Cb 1.86 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 32.50 3h5i h VAL 127 CO 0.21 0.21 0.00 1.57 -1.23 0.00 0.00 177.57 178.33