#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hnw s ALA 7 N 0.00 -0.13 -0.01 6.98 0.00 -1.26 -4.89 121.76 122.44 3hnw s ALA 7 Ca 0.00 0.54 0.06 0.00 0.00 0.00 0.00 51.96 52.56 3hnw s ALA 7 Cb 0.00 -0.68 -0.01 0.00 0.00 0.00 0.00 23.12 22.43 3hnw s ALA 7 CO 0.00 -0.43 -0.18 -1.83 0.00 0.00 0.00 175.76 173.32 3hnw s GLU 8 N 1.93 1.48 0.22 0.00 -1.05 -1.26 -2.53 118.70 117.50 3hnw s GLU 8 Ca -0.00 -0.66 -0.15 0.00 -0.15 0.00 0.00 54.97 54.01 3hnw s GLU 8 Cb -0.12 -1.44 0.01 0.00 -0.44 0.00 0.00 34.13 32.14 3hnw s GLU 8 CO -0.05 0.39 0.49 0.08 0.95 0.00 0.00 175.26 177.12 3hnw s VAL 9 N -0.44 0.02 0.03 1.83 1.01 -1.13 -5.04 120.40 116.69 3hnw s VAL 9 Ca 0.07 -1.15 -0.22 0.00 0.00 0.00 0.00 61.98 60.69 3hnw s VAL 9 Cb -0.07 -1.91 -0.06 0.00 0.00 0.00 0.00 36.38 34.34 3hnw s VAL 9 CO -0.01 -0.09 0.64 -0.63 0.00 0.00 0.00 175.10 175.01 3hnw s ILE 10 N -3.95 4.81 -0.06 2.22 1.01 -1.26 -2.25 121.20 121.73 3hnw s ILE 10 Ca 0.16 1.35 -0.02 0.00 0.00 0.00 0.00 60.65 62.13 3hnw s ILE 10 Cb -0.01 -3.98 0.04 0.00 0.01 0.00 0.00 42.46 38.52 3hnw s ILE 10 CO 0.03 0.44 0.10 -0.22 0.00 0.00 0.00 174.94 175.28 3hnw s LEU 11 N -0.37 0.09 0.00 2.97 2.96 -0.36 -4.76 118.68 119.21 3hnw s LEU 11 Ca 0.32 0.17 0.00 0.00 -0.22 0.00 0.00 54.13 54.41 3hnw s LEU 11 Cb -0.19 0.01 0.00 0.00 0.50 0.00 0.00 46.19 46.51 3hnw s LEU 11 CO 0.19 -0.24 0.00 0.61 -1.32 0.00 0.00 176.35 175.59 3hnw n GLY 12 N 5.28 0.12 0.00 7.98 0.00 -1.26 -2.00 105.19 115.31 3hnw n GLY 12 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3hnw n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hnw n GLY 13 N -0.33 1.01 3.14 -0.02 0.00 -1.26 -5.08 105.19 102.65 3hnw n GLY 13 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 3hnw n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hnw s LYS 14 N 0.00 1.31 -0.78 1.61 1.02 -0.85 -5.07 119.74 116.98 3hnw s LYS 14 Ca 0.00 -0.57 -0.25 0.00 0.02 0.00 0.00 55.97 55.17 3hnw s LYS 14 Cb 0.00 -1.25 0.05 0.00 -0.52 0.00 0.00 37.83 36.10 3hnw s LYS 14 CO 0.00 0.33 1.23 0.08 -0.92 0.00 0.00 175.35 176.08 3hnw s VAL 15 N -0.35 3.94 -0.07 3.17 1.01 -1.26 -1.22 120.40 125.62 3hnw s VAL 15 Ca 0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 3hnw s VAL 15 Cb -0.06 -4.89 -0.03 0.00 0.00 0.00 0.00 36.38 31.40 3hnw s VAL 15 CO -0.00 -1.77 0.02 0.27 0.00 0.00 0.00 175.10 173.62 3hnw s ILE 16 N 5.09 4.45 -0.13 2.22 -4.36 -0.95 -4.97 121.20 122.54 3hnw s ILE 16 Ca 0.34 -0.27 -0.04 0.00 -0.26 0.00 0.00 60.65 60.42 3hnw s ILE 16 Cb -0.08 -2.91 -0.03 0.00 1.25 0.00 0.00 42.46 40.68 3hnw s ILE 16 CO 0.09 0.55 0.02 -0.75 0.24 0.00 0.00 174.94 175.08 3hnw s LYS 17 N -1.08 3.49 0.20 0.37 2.20 -1.26 -2.82 119.74 120.85 3hnw s LYS 17 Ca 0.15 -0.40 0.02 0.00 -0.36 0.00 0.00 55.97 55.39 3hnw s LYS 17 Cb -0.11 -2.98 -0.01 0.00 -1.51 0.00 0.00 37.83 33.22 3hnw s LYS 17 CO 0.05 0.46 0.08 1.28 -0.36 0.00 0.00 175.35 176.86 3hnw n LEU 18 N 2.91 0.00 -3.86 5.43 4.77 -1.05 -5.04 117.00 120.16 3hnw n LEU 18 Ca -0.18 -1.57 -0.09 0.00 -0.03 0.00 0.00 56.01 54.13 3hnw n LEU 18 Cb 0.53 0.57 -0.05 0.00 -2.33 0.00 0.00 43.42 42.13 3hnw n LEU 18 CO 0.32 -0.25 0.12 -0.83 -1.33 0.00 0.00 177.39 175.42 3hnw s GLY 19 N -2.25 0.22 0.00 -0.72 0.00 -1.26 -4.03 107.32 99.28 3hnw s GLY 19 Ca 0.12 -0.58 0.00 0.00 0.00 0.00 0.00 44.72 44.25 3hnw s GLY 19 CO 0.08 -0.57 0.00 0.61 0.00 0.00 0.00 173.10 173.23 3hnw n GLY 20 N -0.28 2.09 3.95 0.20 0.00 -1.26 -5.11 105.19 104.78 3hnw n GLY 20 Ca -0.08 -0.67 -0.24 0.00 0.00 0.00 0.00 46.02 45.02 3hnw n GLY 20 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hnw s TYR 21 N -0.37 2.75 -0.03 1.61 2.02 -1.26 -5.06 117.35 117.00 3hnw s TYR 21 Ca 0.00 0.22 -0.16 0.00 -0.37 0.00 0.00 57.07 56.76 3hnw s TYR 21 Cb 0.00 -3.05 -0.09 0.00 -0.40 0.00 0.00 41.96 38.42 3hnw s TYR 21 CO 0.00 -1.28 0.66 1.05 -1.57 0.00 0.00 175.55 174.41 3hnw h GLU 22 N -0.39 -0.52 -6.33 -0.62 9.09 -2.00 -3.47 114.58 110.34 3hnw h GLU 22 Ca -0.43 0.04 -0.62 0.00 0.05 0.00 0.00 59.36 58.40 3hnw h GLU 22 Cb 1.30 0.12 -0.15 0.00 -1.65 0.00 0.00 28.75 28.37 3hnw h GLU 22 CO 0.55 -0.33 -0.76 0.45 0.05 0.00 0.00 179.01 178.97 3hnw s SER 23 N -4.94 3.67 0.28 3.06 0.15 -1.26 -4.99 113.70 109.67 3hnw s SER 23 Ca -0.08 -0.93 -0.03 0.00 0.70 0.00 0.00 55.95 55.61 3hnw s SER 23 Cb 0.01 -0.36 0.38 0.00 -1.71 0.00 0.00 66.02 64.34 3hnw s SER 23 CO 0.26 0.06 1.92 -0.08 1.20 0.00 0.00 173.24 176.60 3hnw h GLU 24 N 2.52 1.09 -0.55 5.44 4.81 -1.90 -2.98 114.58 123.01 3hnw h GLU 24 Ca -0.42 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 58.65 3hnw h GLU 24 Cb 1.24 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 3hnw h GLU 24 CO 0.56 0.77 0.13 0.93 -0.73 0.00 0.00 179.01 180.68 3hnw h GLU 25 N 1.10 0.88 -0.03 1.92 5.08 -2.00 -1.52 114.58 120.02 3hnw h GLU 25 Ca 0.29 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 3hnw h GLU 25 Cb -0.03 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.11 3hnw h GLU 25 CO -0.05 0.82 -0.15 -0.92 -1.00 0.00 0.00 179.01 177.72 3hnw h TYR 26 N 0.77 0.20 -0.91 4.33 3.20 -1.97 -3.17 116.97 119.43 3hnw h TYR 26 Ca 0.17 -0.09 0.12 0.00 3.14 0.00 0.00 58.73 62.07 3hnw h TYR 26 Cb 0.34 -0.03 -0.08 0.00 1.54 0.00 0.00 36.73 38.50 3hnw h TYR 26 CO 0.02 0.80 0.54 1.25 -1.64 0.00 0.00 178.16 179.13 3hnw h LEU 27 N -0.46 0.75 -1.47 2.82 5.85 -1.52 0.12 115.31 121.39 3hnw h LEU 27 Ca -0.01 0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.87 3hnw h LEU 27 Cb 0.82 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.72 3hnw h LEU 27 CO 0.03 0.39 0.47 1.56 -0.34 0.00 0.00 178.44 180.55 3hnw h GLN 28 N 0.84 0.57 -0.11 1.25 7.50 -1.31 -1.94 115.11 121.91 3hnw h GLN 28 Ca 0.46 -0.03 -0.01 0.00 0.50 0.00 0.00 58.65 59.56 3hnw h GLN 28 Cb 0.49 -0.13 -0.00 0.00 0.05 0.00 0.00 27.48 27.89 3hnw h GLN 28 CO -0.28 0.38 0.02 0.00 -1.50 0.00 0.00 178.83 177.45 3hnw h ARG 29 N 0.59 0.17 -0.41 1.46 3.08 -0.75 -2.34 114.38 116.18 3hnw h ARG 29 Ca 0.33 -0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.40 3hnw h ARG 29 Cb 0.50 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.47 3hnw h ARG 29 CO -0.11 0.36 0.09 0.28 -1.07 0.00 0.00 179.97 179.51 3hnw h VAL 30 N -0.04 0.80 -0.84 2.04 2.07 -1.20 -1.41 116.25 117.66 3hnw h VAL 30 Ca 0.03 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.50 3hnw h VAL 30 Cb 0.26 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 3hnw h VAL 30 CO 0.00 0.04 0.55 0.00 0.02 0.00 0.00 177.57 178.18 3hnw h ALA 31 N 1.31 1.08 -0.02 1.67 0.00 -1.30 -1.51 119.26 120.49 3hnw h ALA 31 Ca 0.20 -0.05 -0.24 0.00 0.00 0.00 0.00 54.91 54.82 3hnw h ALA 31 Cb 0.23 -0.31 0.02 0.00 0.00 0.00 0.00 17.79 17.73 3hnw h ALA 31 CO -0.25 0.42 -0.91 1.03 0.00 0.00 0.00 179.25 179.54 3hnw h SER 32 N 1.09 0.85 -0.25 0.00 0.87 -1.20 0.70 113.55 115.61 3hnw h SER 32 Ca 0.32 -0.72 0.04 0.00 -1.23 0.00 0.00 61.79 60.20 3hnw h SER 32 Cb -0.06 -0.26 -0.07 0.00 -0.44 0.00 0.00 62.40 61.57 3hnw h SER 32 CO -0.09 1.46 -0.54 0.22 -0.53 0.00 0.00 176.83 177.34 3hnw h TYR 33 N 0.32 -1.62 -0.09 2.24 3.20 -1.12 0.29 116.97 120.20 3hnw h TYR 33 Ca -0.11 0.07 0.03 0.00 3.14 0.00 0.00 58.73 61.86 3hnw h TYR 33 Cb 1.57 0.74 -0.06 0.00 1.54 0.00 0.00 36.73 40.52 3hnw h TYR 33 CO 0.11 -0.52 -0.51 0.82 -1.64 0.00 0.00 178.16 176.42 3hnw h ILE 34 N -0.50 0.04 -0.66 1.81 2.04 -1.25 -2.65 117.51 116.33 3hnw h ILE 34 Ca 0.05 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.04 3hnw h ILE 34 Cb 0.64 0.04 -0.09 0.00 -0.74 0.00 0.00 36.82 36.67 3hnw h ILE 34 CO -0.51 0.00 0.20 0.78 0.00 0.00 0.00 178.15 178.63 3hnw h ASN 35 N -0.59 0.13 -0.53 1.72 2.35 -0.18 0.11 115.58 118.58 3hnw h ASN 35 Ca 0.04 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3hnw h ASN 35 Cb 0.69 0.12 -0.03 0.00 0.05 0.00 0.00 38.32 39.15 3hnw h ASN 35 CO -0.40 0.06 0.34 -1.13 -1.65 0.00 0.00 177.43 174.65 3hnw h ASN 36 N 0.34 0.63 0.04 5.81 -0.00 -0.39 0.14 115.58 122.15 3hnw h ASN 36 Ca 0.35 -0.02 -0.09 0.00 -0.00 0.00 0.00 56.30 56.54 3hnw h ASN 36 Cb 0.52 -0.16 -0.01 0.00 -0.00 0.00 0.00 38.32 38.67 3hnw h ASN 36 CO -0.40 0.47 -0.27 0.50 -0.00 0.00 0.00 177.43 177.74 3hnw h LYS 37 N 0.73 0.36 0.21 6.67 3.64 -0.46 0.10 116.57 127.82 3hnw h LYS 37 Ca 0.20 -0.13 -0.32 0.00 -1.27 0.00 0.00 60.65 59.13 3hnw h LYS 37 Cb -0.06 -0.02 0.02 0.00 -0.41 0.00 0.00 32.23 31.76 3hnw h LYS 37 CO -0.04 0.60 -1.44 0.82 -2.27 0.00 0.00 179.45 177.12 3hnw h ILE 38 N 0.32 1.31 0.16 2.00 2.04 -0.63 -2.06 117.51 120.65 3hnw h ILE 38 Ca 0.05 -2.80 0.02 0.00 1.00 0.00 0.00 64.86 63.12 3hnw h ILE 38 Cb 0.64 2.98 -0.04 0.00 -0.74 0.00 0.00 36.82 39.66 3hnw h ILE 38 CO 0.05 0.84 -0.41 0.74 0.00 0.00 0.00 178.15 179.37 3hnw h THR 39 N 0.12 0.17 0.72 -0.27 2.02 -0.58 -2.77 112.91 112.32 3hnw h THR 39 Ca -0.23 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 3hnw h THR 39 Cb 2.10 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 3hnw h THR 39 CO 0.24 0.00 -0.46 -0.33 0.37 0.00 0.00 175.52 175.34 3hnw h GLU 40 N -0.67 -1.07 -0.98 6.66 4.39 -0.84 -2.98 114.58 119.09 3hnw h GLU 40 Ca 0.01 0.07 0.32 0.00 0.34 0.00 0.00 59.36 60.11 3hnw h GLU 40 Cb 0.68 0.24 -0.17 0.00 -0.10 0.00 0.00 28.75 29.40 3hnw h GLU 40 CO -0.21 -0.72 0.28 0.74 -1.16 0.00 0.00 179.01 177.94 3hnw h PHE 41 N -1.12 0.39 -0.00 4.33 0.04 -1.42 -0.71 116.94 118.45 3hnw h PHE 41 Ca -0.09 0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.73 3hnw h PHE 41 Cb 0.90 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.05 3hnw h PHE 41 CO -0.12 -0.40 0.00 -1.71 -0.60 0.00 0.00 178.31 175.48 3hnw n ASN 42 N -5.34 0.06 -0.25 2.17 5.15 -1.04 -1.73 115.26 114.28 3hnw n ASN 42 Ca 0.29 -1.13 0.14 0.00 -0.60 0.00 0.00 54.58 53.27 3hnw n ASN 42 Cb 0.96 -0.00 0.52 0.00 -0.53 0.00 0.00 39.78 40.73 3hnw n ASN 42 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3hnw n LYS 43 N -0.89 1.01 -3.32 1.20 5.02 -0.27 -4.73 118.16 116.18 3hnw n LYS 43 Ca 0.21 -0.50 -0.43 0.00 -2.02 0.00 0.00 58.31 55.57 3hnw n LYS 43 Cb 0.11 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 33.54 3hnw n LYS 43 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3hnw s GLU 44 N -2.33 3.07 0.31 1.97 0.41 -0.71 -4.93 118.70 116.49 3hnw s GLU 44 Ca 0.31 -0.87 0.06 0.00 -0.41 0.00 0.00 54.97 54.06 3hnw s GLU 44 Cb 0.20 -4.01 0.83 0.00 -1.78 0.00 0.00 34.13 29.38 3hnw s GLU 44 CO 0.45 -0.91 1.63 1.49 -0.49 0.00 0.00 175.26 177.43 3hnw h GLU 45 N 8.76 0.18 -0.90 1.61 4.57 -1.87 0.13 114.58 127.07 3hnw h GLU 45 Ca -0.27 -0.01 0.06 0.00 -1.18 0.00 0.00 59.36 57.96 3hnw h GLU 45 Cb 1.11 -0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 29.60 3hnw h GLU 45 CO 0.82 0.12 0.58 1.03 -1.18 0.00 0.00 179.01 180.38 3hnw h SER 46 N 0.18 0.92 -0.25 1.04 0.87 -1.93 0.17 113.55 114.55 3hnw h SER 46 Ca 0.61 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 61.01 3hnw h SER 46 Cb 1.32 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 3hnw h SER 46 CO -0.69 0.60 -0.49 0.22 -0.53 0.00 0.00 176.83 175.93 3hnw h TYR 47 N 1.05 0.98 -0.15 2.24 3.20 -1.09 -3.20 116.97 119.99 3hnw h TYR 47 Ca 0.38 -0.35 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 3hnw h TYR 47 Cb 0.15 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 3hnw h TYR 47 CO -0.00 1.16 0.09 0.00 -1.64 0.00 0.00 178.16 177.77 3hnw h ARG 48 N 0.52 0.20 -2.37 1.82 3.08 0.70 -3.46 114.38 114.86 3hnw h ARG 48 Ca 0.01 -0.01 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 3hnw h ARG 48 Cb 1.10 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 31.07 3hnw h ARG 48 CO 0.11 0.14 -0.04 0.54 -1.07 0.00 0.00 179.97 179.65 3hnw n ARG 49 N -4.51 1.19 -3.59 0.04 1.74 0.39 -5.01 116.66 106.91 3hnw n ARG 49 Ca -0.01 -0.58 -0.20 0.00 -0.77 0.00 0.00 57.85 56.29 3hnw n ARG 49 Cb 0.09 -1.77 -0.01 0.00 -1.02 0.00 0.00 32.46 29.74 3hnw n ARG 49 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3hnw s SER 51 N 2.37 6.08 0.43 0.55 1.04 -1.26 -5.11 113.70 117.79 3hnw s SER 51 Ca 0.39 -0.06 0.10 0.00 0.48 0.00 0.00 55.95 56.86 3hnw s SER 51 Cb 0.19 -1.47 0.92 0.00 0.10 0.00 0.00 66.02 65.76 3hnw s SER 51 CO 0.00 -0.33 2.03 0.00 0.98 0.00 0.00 173.24 175.91 3hnw h ALA 52 N 0.94 1.70 -0.41 5.32 0.00 -1.96 0.52 119.26 125.37 3hnw h ALA 52 Ca -0.48 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 3hnw h ALA 52 Cb 1.25 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3hnw h ALA 52 CO 0.56 0.24 0.22 1.49 0.00 0.00 0.00 179.25 181.75 3hnw h GLU 53 N 0.31 0.58 -0.13 0.00 4.81 -2.03 0.47 114.58 118.59 3hnw h GLU 53 Ca 0.08 -0.07 -0.16 0.00 -0.13 0.00 0.00 59.36 59.08 3hnw h GLU 53 Cb 0.11 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.38 3hnw h GLU 53 CO -0.01 0.48 -0.54 1.25 -0.73 0.00 0.00 179.01 179.46 3hnw h LEU 54 N 0.53 0.70 -1.23 1.64 6.46 -1.77 0.10 115.31 121.74 3hnw h LEU 54 Ca 0.14 -0.62 0.12 0.00 -0.12 0.00 0.00 57.88 57.39 3hnw h LEU 54 Cb 0.08 -0.21 -0.07 0.00 -0.73 0.00 0.00 40.66 39.73 3hnw h LEU 54 CO -0.02 1.21 0.57 0.03 -0.62 0.00 0.00 178.44 179.61 3hnw h ARG 55 N 0.23 0.79 -0.21 1.25 3.08 0.29 -2.73 114.38 117.08 3hnw h ARG 55 Ca -0.03 -0.05 -0.19 0.00 0.07 0.00 0.00 59.98 59.79 3hnw h ARG 55 Cb 1.18 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.05 3hnw h ARG 55 CO 0.11 0.52 -0.59 1.15 -1.07 0.00 0.00 179.97 180.09 3hnw h THR 56 N 0.81 1.29 -0.07 2.04 2.02 0.36 -3.45 112.91 115.92 3hnw h THR 56 Ca 0.43 -1.80 -0.06 0.00 0.77 0.00 0.00 66.41 65.74 3hnw h THR 56 Cb 0.53 1.85 0.02 0.00 -1.74 0.00 0.00 68.15 68.80 3hnw h THR 56 CO -0.19 0.57 0.22 0.47 0.37 0.00 0.00 175.52 176.96 3hnw n ASP 57 N -4.05 1.05 0.00 4.18 8.00 0.31 -4.77 116.55 121.27 3hnw n ASP 57 Ca -0.06 -2.40 0.00 0.00 0.71 0.00 0.00 54.79 53.03 3hnw n ASP 57 Cb 0.65 -1.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.23 3hnw n ASP 57 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3hnw n TYR 60 N 17.76 0.00 0.02 1.24 0.53 -1.26 -4.64 117.16 130.81 3hnw n TYR 60 Ca 0.39 0.00 -0.06 0.00 -1.02 0.00 0.00 57.90 57.21 3hnw n TYR 60 Cb 0.46 0.00 0.13 0.00 -1.03 0.00 0.00 39.34 38.91 3hnw n TYR 60 CO 0.00 0.00 0.00 -0.07 -1.02 0.00 0.00 176.86 175.77 3hnw h LEU 61 N 0.00 0.51 -1.00 7.72 3.38 -1.98 -1.09 115.31 122.86 3hnw h LEU 61 Ca 0.00 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 57.64 3hnw h LEU 61 Cb 0.00 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3hnw h LEU 61 CO 0.00 0.86 -0.49 -1.13 0.09 0.00 0.00 178.44 177.77 3hnw h ASN 62 N 0.40 0.02 0.72 -0.43 -0.73 -1.97 0.37 115.58 113.97 3hnw h ASN 62 Ca 0.04 -0.01 -0.16 0.00 1.87 0.00 0.00 56.30 58.03 3hnw h ASN 62 Cb 0.88 -0.01 -0.03 0.00 0.27 0.00 0.00 38.32 39.44 3hnw h ASN 62 CO 0.07 0.51 -1.39 0.40 -0.37 0.00 0.00 177.43 176.66 3hnw h ILE 63 N 0.02 0.49 -0.33 2.57 2.04 -1.94 -3.05 117.51 117.30 3hnw h ILE 63 Ca -0.00 -1.97 -0.13 0.00 1.00 0.00 0.00 64.86 63.76 3hnw h ILE 63 Cb 0.88 2.02 -0.01 0.00 -0.74 0.00 0.00 36.82 38.97 3hnw h ILE 63 CO 0.06 0.28 -0.32 0.00 0.00 0.00 0.00 178.15 178.17 3hnw h ALA 64 N 1.44 0.81 -0.26 1.87 0.00 -0.69 -1.43 119.26 121.00 3hnw h ALA 64 Ca -0.16 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.29 3hnw h ALA 64 Cb 1.57 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 3hnw h ALA 64 CO 0.05 0.64 -0.03 0.22 0.00 0.00 0.00 179.25 180.13 3hnw h ASP 65 N 0.61 0.48 -0.31 0.00 3.58 -0.37 0.80 116.42 121.20 3hnw h ASP 65 Ca 0.07 -0.34 0.07 0.00 0.42 0.00 0.00 57.03 57.25 3hnw h ASP 65 Cb 0.84 -0.13 -0.08 0.00 1.72 0.00 0.00 39.33 41.69 3hnw h ASP 65 CO 0.07 0.70 -0.25 0.44 -2.88 0.00 0.00 179.24 177.32 3hnw h ASP 66 N 0.24 -0.81 -0.41 2.28 3.32 -1.46 -0.26 116.42 119.32 3hnw h ASP 66 Ca 0.07 0.15 0.08 0.00 0.02 0.00 0.00 57.03 57.36 3hnw h ASP 66 Cb 0.47 0.39 -0.08 0.00 0.22 0.00 0.00 39.33 40.34 3hnw h ASP 66 CO 0.02 -0.28 -0.09 0.22 -1.72 0.00 0.00 179.24 177.40 3hnw h TYR 67 N -0.22 -0.19 -0.04 4.55 3.20 -0.90 -2.17 116.97 121.20 3hnw h TYR 67 Ca 0.16 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.06 3hnw h TYR 67 Cb 0.47 0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.89 3hnw h TYR 67 CO -0.43 -0.16 0.02 0.74 -1.64 0.00 0.00 178.16 176.68 3hnw h PHE 68 N 0.01 0.06 -0.19 -3.82 0.05 0.06 -2.78 116.94 110.33 3hnw h PHE 68 Ca 0.20 -0.00 0.05 0.00 3.82 0.00 0.00 57.97 62.03 3hnw h PHE 68 Cb 0.30 -0.02 -0.05 0.00 2.00 0.00 0.00 35.95 38.18 3hnw h PHE 68 CO -0.35 0.17 -0.12 0.87 -0.18 0.00 0.00 178.31 178.70 3hnw h LYS 69 N -0.07 -0.11 0.00 1.51 1.57 -0.90 0.31 116.57 118.87 3hnw h LYS 69 Ca 0.01 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3hnw h LYS 69 Cb 0.14 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3hnw h LYS 69 CO -0.00 -0.07 0.11 0.00 -0.57 0.00 0.00 179.45 178.92 3hnw n ALA 70 N -2.56 0.79 -0.13 3.86 0.00 -0.83 -1.57 120.51 120.07 3hnw n ALA 70 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.16 3hnw n ALA 70 Cb 0.20 -0.70 -0.10 0.00 0.00 0.00 0.00 19.45 18.84 3hnw n ALA 70 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3hnw n LYS 71 N -1.23 0.59 0.00 0.00 4.81 0.92 -3.55 118.16 119.70 3hnw n LYS 71 Ca 0.00 0.23 0.00 0.00 -0.87 0.00 0.00 58.31 57.67 3hnw n LYS 71 Cb 0.11 -1.48 0.00 0.00 0.02 0.00 0.00 35.03 33.68 3hnw n LYS 71 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 3hnw n LYS 72 N -3.96 0.10 0.00 1.64 2.85 -0.28 -0.59 118.16 117.92 3hnw n LYS 72 Ca -0.51 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 56.75 3hnw n LYS 72 Cb 0.91 -1.05 0.00 0.00 -0.65 0.00 0.00 35.03 34.24 3hnw n LYS 72 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3hnw n ALA 74 N 0.40 0.00 -0.02 0.58 0.00 -1.23 -2.06 120.51 118.17 3hnw n ALA 74 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 3hnw n ALA 74 Cb 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.34 3hnw n ALA 74 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hnw n ASP 75 N 0.00 0.33 0.26 0.00 9.92 0.25 -3.83 116.55 123.47 3hnw n ASP 75 Ca 0.00 0.14 0.11 0.00 -0.53 0.00 0.00 54.79 54.52 3hnw n ASP 75 Cb 0.00 1.00 0.72 0.00 -0.64 0.00 0.00 41.12 42.20 3hnw n ASP 75 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 3hnw h SER 76 N 0.00 0.00 0.13 -2.24 0.02 -1.65 -1.81 113.55 108.00 3hnw h SER 76 Ca -0.23 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.49 3hnw h SER 76 Cb 1.60 0.00 0.02 0.00 0.14 0.00 0.00 62.40 64.16 3hnw h SER 76 CO 0.02 0.10 -0.99 -0.07 -1.14 0.00 0.00 176.83 174.75 3hnw h LEU 77 N 0.00 0.64 -0.90 5.07 3.38 -1.88 0.55 115.31 122.17 3hnw h LEU 77 Ca -0.00 -0.88 0.25 0.00 0.09 0.00 0.00 57.88 57.34 3hnw h LEU 77 Cb 0.22 -0.21 -0.15 0.00 0.09 0.00 0.00 40.66 40.62 3hnw h LEU 77 CO 0.01 1.47 0.21 -1.28 0.09 0.00 0.00 178.44 178.94 3hnw h SER 78 N -0.08 -0.08 0.03 -0.43 0.87 -1.44 1.39 113.55 113.81 3hnw h SER 78 Ca -0.16 0.21 -0.12 0.00 -1.23 0.00 0.00 61.79 60.50 3hnw h SER 78 Cb 1.73 0.31 -0.01 0.00 -0.44 0.00 0.00 62.40 63.99 3hnw h SER 78 CO 0.19 -0.20 -0.59 0.25 -0.53 0.00 0.00 176.83 175.94 3hnw h LEU 79 N 0.16 0.10 -1.23 2.23 5.85 -1.50 -3.15 115.31 117.77 3hnw h LEU 79 Ca 0.57 -0.85 0.19 0.00 0.84 0.00 0.00 57.88 58.64 3hnw h LEU 79 Cb 1.18 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 42.09 3hnw h LEU 79 CO -0.71 1.25 0.61 0.44 -0.34 0.00 0.00 178.44 179.69 3hnw h ASP 80 N -0.85 0.63 1.66 1.25 5.19 0.84 0.11 116.42 125.25 3hnw h ASP 80 Ca -0.14 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 3hnw h ASP 80 Cb 1.24 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.71 3hnw h ASP 80 CO -0.03 0.24 0.00 0.40 -3.12 0.00 0.00 179.24 176.73 3hnw h ILE 81 N 0.62 0.00 0.00 0.35 2.04 0.17 -2.66 117.51 118.03 3hnw h ILE 81 Ca 0.53 -0.68 -0.16 0.00 1.00 0.00 0.00 64.86 65.55 3hnw h ILE 81 Cb 1.00 1.68 -0.02 0.00 -0.74 0.00 0.00 36.82 38.74 3hnw h ILE 81 CO -0.28 0.00 -0.75 -0.33 0.00 0.00 0.00 178.15 176.79 3hnw h GLU 82 N 0.00 0.00 0.09 2.37 5.08 -0.74 -1.86 114.58 119.52 3hnw h GLU 82 Ca 0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 3hnw h GLU 82 Cb 0.83 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.05 3hnw h GLU 82 CO 0.00 0.75 -1.93 0.09 -1.00 0.00 0.00 179.01 176.92 3hnw n ASN 83 N -3.61 1.74 0.29 1.42 5.03 -0.98 -1.95 115.26 117.20 3hnw n ASN 83 Ca -0.01 0.26 0.18 0.00 0.87 0.00 0.00 54.58 55.88 3hnw n ASN 83 Cb 0.73 -0.60 0.85 0.00 -1.02 0.00 0.00 39.78 39.74 3hnw n ASN 83 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 3hnw h LYS 84 N 0.05 0.00 0.12 3.52 1.57 -1.61 -0.03 116.57 120.19 3hnw h LYS 84 Ca -0.39 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.10 3hnw h LYS 84 Cb 2.03 0.00 0.02 0.00 0.08 0.00 0.00 32.23 34.36 3hnw h LYS 84 CO 0.08 0.04 -1.23 0.22 -0.57 0.00 0.00 179.45 177.99 3hnw h ASP 85 N 0.00 0.75 0.78 0.86 3.58 -1.27 -2.87 116.42 118.25 3hnw h ASP 85 Ca -0.00 -0.71 -0.22 0.00 0.42 0.00 0.00 57.03 56.52 3hnw h ASP 85 Cb 0.33 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 3hnw h ASP 85 CO 0.00 1.53 -1.04 0.11 -2.88 0.00 0.00 179.24 176.96 3hnw h LYS 86 N 0.22 0.13 -0.88 0.28 1.79 -1.29 -2.83 116.57 113.99 3hnw h LYS 86 Ca -0.17 -0.19 0.19 0.00 -2.18 0.00 0.00 60.65 58.29 3hnw h LYS 86 Cb 1.91 0.07 -0.11 0.00 -1.58 0.00 0.00 32.23 32.52 3hnw h LYS 86 CO 0.23 1.05 0.43 1.49 -1.08 0.00 0.00 179.45 181.56 3hnw h GLU 87 N 0.05 0.51 -0.13 3.15 4.81 -1.06 -2.48 114.58 119.42 3hnw h GLU 87 Ca -0.06 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.02 3hnw h GLU 87 Cb 1.75 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 31.02 3hnw h GLU 87 CO 0.15 0.34 -0.40 0.82 -0.73 0.00 0.00 179.01 179.19 3hnw h ILE 88 N 0.53 1.36 0.60 2.32 5.03 -1.39 -2.71 117.51 123.24 3hnw h ILE 88 Ca 0.52 -1.69 -0.03 0.00 -0.12 0.00 0.00 64.86 63.54 3hnw h ILE 88 Cb 0.87 2.08 0.00 0.00 -3.03 0.00 0.00 36.82 36.74 3hnw h ILE 88 CO -0.44 0.51 -0.31 0.22 -0.68 0.00 0.00 178.15 177.45 3hnw h TYR 89 N 0.11 -0.81 -0.76 1.37 3.20 -1.25 0.22 116.97 119.06 3hnw h TYR 89 Ca -0.01 -0.02 0.17 0.00 3.14 0.00 0.00 58.73 62.02 3hnw h TYR 89 Cb 1.02 0.28 -0.13 0.00 1.54 0.00 0.00 36.73 39.43 3hnw h TYR 89 CO 0.11 -0.49 0.01 -0.44 -1.64 0.00 0.00 178.16 175.71 3hnw h ASP 90 N -0.84 -0.34 -0.55 -2.11 5.19 -1.57 -1.71 116.42 114.49 3hnw h ASP 90 Ca -0.08 0.20 -0.07 0.00 -0.62 0.00 0.00 57.03 56.46 3hnw h ASP 90 Cb 0.65 0.34 -0.03 0.00 0.18 0.00 0.00 39.33 40.48 3hnw h ASP 90 CO 0.12 -0.18 0.11 -0.07 -3.12 0.00 0.00 179.24 176.09 3hnw h LEU 91 N 0.11 0.90 -0.86 1.55 4.07 -0.88 -0.94 115.31 119.26 3hnw h LEU 91 Ca 0.42 -0.19 -0.07 0.00 0.08 0.00 0.00 57.88 58.12 3hnw h LEU 91 Cb 0.74 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.23 3hnw h LEU 91 CO -0.66 0.90 -0.32 0.11 -1.08 0.00 0.00 178.44 177.39 3hnw h LYS 92 N 0.90 0.00 0.12 1.13 1.57 -0.46 -2.78 116.57 117.06 3hnw h LYS 92 Ca 0.19 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.62 3hnw h LYS 92 Cb 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3hnw h LYS 92 CO 0.01 0.32 -1.89 0.45 -0.57 0.00 0.00 179.45 177.77 3hnw h HIS 93 N 0.00 0.48 0.00 -1.35 3.86 -0.43 -2.48 115.15 115.23 3hnw h HIS 93 Ca -0.00 -0.35 -0.03 0.00 -1.16 0.00 0.00 60.37 58.83 3hnw h HIS 93 Cb 0.90 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 29.35 3hnw h HIS 93 CO 0.00 1.74 -0.13 1.05 0.86 0.00 0.00 177.93 181.45 3hnw h GLU 94 N -0.02 0.00 -0.01 2.45 4.11 -1.32 -2.65 114.58 117.14 3hnw h GLU 94 Ca -0.40 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 58.85 3hnw h GLU 94 Cb 1.98 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.21 3hnw h GLU 94 CO 0.08 0.13 -0.78 1.25 0.07 0.00 0.00 179.01 179.75 3hnw h LEU 95 N 0.00 0.18 -2.96 3.06 5.85 -1.50 -2.33 115.31 117.60 3hnw h LEU 95 Ca -0.00 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 3hnw h LEU 95 Cb 0.51 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 3hnw h LEU 95 CO 0.02 0.89 -0.00 0.40 -0.34 0.00 0.00 178.44 179.41 3hnw h ILE 96 N 0.09 0.03 -0.03 4.05 1.08 -1.07 -2.91 117.51 118.76 3hnw h ILE 96 Ca -0.03 -0.00 -0.25 0.00 -0.39 0.00 0.00 64.86 64.19 3hnw h ILE 96 Cb 1.37 1.00 0.02 0.00 -3.07 0.00 0.00 36.82 36.14 3hnw h ILE 96 CO 0.11 0.00 -0.97 0.00 -0.69 0.00 0.00 178.15 176.60 3hnw h ALA 97 N 2.00 0.21 -0.28 1.87 0.00 -1.37 -3.05 119.26 118.64 3hnw h ALA 97 Ca -0.00 -0.68 -0.16 0.00 0.00 0.00 0.00 54.91 54.07 3hnw h ALA 97 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3hnw h ALA 97 CO 0.00 0.71 -0.46 0.00 0.00 0.00 0.00 179.25 179.50 3hnw h ALA 98 N 0.50 0.67 0.00 0.00 0.00 -1.56 -1.71 119.26 117.16 3hnw h ALA 98 Ca -0.11 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.28 3hnw h ALA 98 Cb 1.62 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 3hnw h ALA 98 CO 0.19 0.67 -0.21 0.37 0.00 0.00 0.00 179.25 180.27 3hnw h GLN 99 N 0.58 0.00 0.06 0.00 4.15 -1.57 0.83 115.11 119.16 3hnw h GLN 99 Ca 0.03 0.00 -0.34 0.00 0.77 0.00 0.00 58.65 59.12 3hnw h GLN 99 Cb 1.02 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.67 3hnw h GLN 99 CO 0.10 0.21 -1.91 -0.89 -1.93 0.00 0.00 178.83 174.41 3hnw n ILE 100 N -3.82 1.69 0.11 2.39 2.08 -1.16 -3.09 119.36 117.55 3hnw n ILE 100 Ca -0.02 -0.72 0.03 0.00 0.56 0.00 0.00 62.75 62.61 3hnw n ILE 100 Cb 0.31 -1.39 -0.00 0.00 -0.75 0.00 0.00 39.64 37.81 3hnw n ILE 100 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 3hnw h LYS 101 N 0.04 0.00 0.19 0.38 1.63 -1.14 -2.96 116.57 114.70 3hnw h LYS 101 Ca -0.38 0.00 -0.31 0.00 -0.85 0.00 0.00 60.65 59.11 3hnw h LYS 101 Cb 2.03 0.00 0.03 0.00 -0.60 0.00 0.00 32.23 33.69 3hnw h LYS 101 CO 0.08 0.35 -1.33 0.00 -3.45 0.00 0.00 179.45 175.09 3hnw h ALA 102 N 1.56 -0.09 -0.27 5.00 0.00 0.53 2.84 119.26 128.83 3hnw h ALA 102 Ca -0.05 -0.81 0.08 0.00 0.00 0.00 0.00 54.91 54.13 3hnw h ALA 102 Cb 1.38 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 3hnw h ALA 102 CO 0.05 0.66 0.20 1.49 0.00 0.00 0.00 179.25 181.65 3hnw h GLU 103 N 0.17 0.00 0.03 0.00 4.22 -1.66 -0.67 114.58 116.68 3hnw h GLU 103 Ca -0.22 0.00 -0.33 0.00 0.08 0.00 0.00 59.36 58.89 3hnw h GLU 103 Cb 2.02 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 31.22 3hnw h GLU 103 CO 0.25 0.00 -1.93 -1.13 -2.18 0.00 0.00 179.01 174.02 3hnw n SER 104 N -4.42 1.10 -0.27 1.04 3.41 -1.04 -2.83 113.62 110.60 3hnw n SER 104 Ca 0.04 0.27 -0.03 0.00 -0.26 0.00 0.00 58.87 58.88 3hnw n SER 104 Cb 0.36 -0.10 0.08 0.00 -0.26 0.00 0.00 64.21 64.28 3hnw n SER 104 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 3hnw h SER 105 N 0.02 0.82 1.29 4.04 0.87 0.53 -2.58 113.55 118.54 3hnw h SER 105 Ca -0.38 -0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.06 3hnw h SER 105 Cb 2.05 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 63.80 3hnw h SER 105 CO 0.06 0.58 -0.54 0.00 -0.53 0.00 0.00 176.83 176.40 3hnw h ALA 106 N 1.30 0.70 0.66 6.23 0.00 -1.27 -3.12 119.26 123.77 3hnw h ALA 106 Ca 0.29 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3hnw h ALA 106 Cb -0.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3hnw h ALA 106 CO -0.09 0.67 -0.36 0.87 0.00 0.00 0.00 179.25 180.34 3hnw h LYS 107 N 0.00 -0.91 -0.81 0.00 1.57 -1.31 0.35 116.57 115.45 3hnw h LYS 107 Ca -0.01 0.06 0.19 0.00 -1.87 0.00 0.00 60.65 59.02 3hnw h LYS 107 Cb 1.33 0.21 -0.12 0.00 0.08 0.00 0.00 32.23 33.73 3hnw h LYS 107 CO 0.07 -0.61 0.25 1.49 -0.57 0.00 0.00 179.45 180.08 3hnw h GLU 108 N -0.95 0.30 0.11 3.15 4.81 -1.55 -2.64 114.58 117.82 3hnw h GLU 108 Ca -0.09 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 3hnw h GLU 108 Cb 0.75 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.06 3hnw h GLU 108 CO 0.11 0.20 -0.05 0.82 -0.73 0.00 0.00 179.01 179.36 3hnw h ILE 109 N 0.31 0.96 -0.99 2.32 2.04 -1.36 -1.01 117.51 119.77 3hnw h ILE 109 Ca 0.48 -0.25 0.13 0.00 1.00 0.00 0.00 64.86 66.21 3hnw h ILE 109 Cb 0.87 1.12 -0.08 0.00 -0.74 0.00 0.00 36.82 37.98 3hnw h ILE 109 CO -0.54 0.06 0.63 0.50 0.00 0.00 0.00 178.15 178.80 3hnw h LYS 110 N -0.26 0.93 0.00 2.37 3.64 -0.57 -2.08 116.57 120.59 3hnw h LYS 110 Ca -0.02 -0.06 -0.17 0.00 -1.27 0.00 0.00 60.65 59.14 3hnw h LYS 110 Cb 0.22 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 3hnw h LYS 110 CO 0.03 0.62 -1.28 0.93 -2.27 0.00 0.00 179.45 177.47 3hnw h GLU 111 N 0.96 0.00 0.00 1.90 4.39 -1.40 -2.89 114.58 117.54 3hnw h GLU 111 Ca 0.50 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.18 3hnw h GLU 111 Cb 0.53 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.18 3hnw h GLU 111 CO -0.26 0.38 -0.06 -0.07 -1.16 0.00 0.00 179.01 177.83 3hnw h LEU 112 N 0.00 0.00 -0.16 1.33 3.38 -0.67 -0.97 115.31 118.22 3hnw h LEU 112 Ca -0.14 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.67 3hnw h LEU 112 Cb 1.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.36 3hnw h LEU 112 CO 0.06 0.06 -0.50 0.11 0.09 0.00 0.00 178.44 178.26 3hnw h LYS 113 N 0.00 0.61 -0.55 1.13 1.57 -1.19 -1.35 116.57 116.79 3hnw h LYS 113 Ca -0.00 -0.45 -0.08 0.00 -1.87 0.00 0.00 60.65 58.25 3hnw h LYS 113 Cb 0.20 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 3hnw h LYS 113 CO 0.01 1.07 0.04 1.03 -0.57 0.00 0.00 179.45 181.03 3hnw h SER 114 N 0.27 0.88 -0.18 0.86 0.87 -1.27 -0.88 113.55 114.10 3hnw h SER 114 Ca -0.02 -0.21 -0.02 0.00 -1.23 0.00 0.00 61.79 60.31 3hnw h SER 114 Cb 1.13 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.84 3hnw h SER 114 CO 0.11 0.92 0.03 -0.33 -0.53 0.00 0.00 176.83 177.03 3hnw h GLU 115 N 0.86 0.29 -0.93 2.24 5.08 -1.17 -2.45 114.58 118.51 3hnw h GLU 115 Ca 0.17 -0.08 0.05 0.00 -1.00 0.00 0.00 59.36 58.49 3hnw h GLU 115 Cb 0.45 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.61 3hnw h GLU 115 CO 0.02 0.46 0.60 0.82 -1.00 0.00 0.00 179.01 179.90 3hnw h ILE 116 N 0.08 1.12 -0.29 3.13 2.04 -1.06 -2.49 117.51 120.03 3hnw h ILE 116 Ca 0.05 -0.39 0.04 0.00 1.00 0.00 0.00 64.86 65.56 3hnw h ILE 116 Cb 0.31 -0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.25 3hnw h ILE 116 CO 0.00 0.21 0.08 0.78 0.00 0.00 0.00 178.15 179.22 3hnw h ASN 117 N 1.13 0.06 1.34 1.72 2.35 -0.94 -1.82 115.58 119.42 3hnw h ASN 117 Ca 0.38 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 56.17 3hnw h ASN 117 Cb 0.08 0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.49 3hnw h ASN 117 CO -0.14 0.07 0.00 0.11 -1.65 0.00 0.00 177.43 175.82 3hnw h LYS 118 N 0.20 0.00 0.15 0.81 1.57 -1.13 -2.15 116.57 116.01 3hnw h LYS 118 Ca 0.13 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.62 3hnw h LYS 118 Cb 0.12 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.44 3hnw h LYS 118 CO -0.15 0.00 -1.37 1.88 -0.57 0.00 0.00 179.45 179.24 3hnw h TYR 119 N 0.00 0.57 -0.51 -1.35 0.05 -1.21 -1.50 116.97 113.02 3hnw h TYR 119 Ca 0.00 -0.42 -0.04 0.00 0.05 0.00 0.00 58.73 58.33 3hnw h TYR 119 Cb 0.67 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.36 3hnw h TYR 119 CO 0.00 1.36 0.15 1.96 -1.05 0.00 0.00 178.16 180.59 3hnw h GLN 120 N 0.09 0.75 -0.32 4.88 4.20 -0.98 0.55 115.11 124.28 3hnw h GLN 120 Ca -0.19 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.35 3hnw h GLN 120 Cb 2.02 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 29.66 3hnw h GLN 120 CO 0.20 0.65 0.04 0.87 -0.67 0.00 0.00 178.83 179.93 3hnw h LYS 121 N 0.73 0.54 -0.17 1.46 1.57 -1.44 -1.95 116.57 117.31 3hnw h LYS 121 Ca 0.17 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3hnw h LYS 121 Cb 0.22 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3hnw h LYS 121 CO -0.01 0.64 0.11 -0.97 -0.57 0.00 0.00 179.45 178.65 3hnw h ASN 122 N 0.36 0.19 0.08 0.86 -0.73 -0.19 0.74 115.58 116.88 3hnw h ASN 122 Ca 0.10 -0.00 0.02 0.00 1.87 0.00 0.00 56.30 58.28 3hnw h ASN 122 Cb 0.37 -0.04 -0.03 0.00 0.27 0.00 0.00 38.32 38.89 3hnw h ASN 122 CO 0.01 0.14 -0.18 0.40 -0.37 0.00 0.00 177.43 177.42 3hnw h ILE 123 N 0.23 0.58 -0.63 2.57 2.04 0.09 0.69 117.51 123.08 3hnw h ILE 123 Ca 0.06 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.99 3hnw h ILE 123 Cb -0.02 0.58 -0.06 0.00 -0.74 0.00 0.00 36.82 36.58 3hnw h ILE 123 CO -0.02 0.00 0.33 0.58 0.00 0.00 0.00 178.15 179.04 3hnw h VAL 124 N -0.34 0.93 -0.06 1.67 2.07 -0.97 0.15 116.25 119.70 3hnw h VAL 124 Ca 0.03 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.35 3hnw h VAL 124 Cb 0.37 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3hnw h VAL 124 CO -0.12 0.11 0.02 0.50 0.02 0.00 0.00 177.57 178.10 3hnw h LYS 125 N 0.61 0.05 0.05 1.57 3.11 -0.53 -1.55 116.57 119.88 3hnw h LYS 125 Ca 0.29 -0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 58.12 3hnw h LYS 125 Cb 0.21 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.43 3hnw h LYS 125 CO -0.20 0.03 -0.03 -0.07 -2.81 0.00 0.00 179.45 176.38 3hnw h LEU 126 N 0.05 -0.06 -0.92 5.20 3.38 -0.25 -2.56 115.31 120.15 3hnw h LEU 126 Ca 0.02 -0.09 0.16 0.00 0.09 0.00 0.00 57.88 58.06 3hnw h LEU 126 Cb 0.01 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 40.68 3hnw h LEU 126 CO -0.02 0.05 0.51 -0.33 0.09 0.00 0.00 178.44 178.74 3hnw h GLU 127 N -0.17 0.69 -0.46 1.13 5.08 -0.67 -0.84 114.58 119.34 3hnw h GLU 127 Ca -0.01 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3hnw h GLU 127 Cb 0.15 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3hnw h GLU 127 CO 0.01 0.46 0.30 1.15 -1.00 0.00 0.00 179.01 179.93 3hnw h THR 128 N 0.71 1.13 -0.49 1.13 2.02 -1.07 0.44 112.91 116.79 3hnw h THR 128 Ca 0.50 -0.24 0.02 0.00 0.77 0.00 0.00 66.41 67.46 3hnw h THR 128 Cb 0.70 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 3hnw h THR 128 CO -0.36 0.12 0.29 -0.08 0.37 0.00 0.00 175.52 175.86 3hnw h GLU 129 N 0.62 0.56 -0.15 6.66 4.81 -0.78 0.26 114.58 126.56 3hnw h GLU 129 Ca 0.17 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.28 3hnw h GLU 129 Cb -0.05 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.20 3hnw h GLU 129 CO -0.03 0.37 -0.21 -0.07 -0.73 0.00 0.00 179.01 178.33 3hnw h LEU 130 N 0.58 0.44 -1.70 1.64 3.38 -1.08 0.21 115.31 118.78 3hnw h LEU 130 Ca 0.20 -0.52 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 3hnw h LEU 130 Cb 0.02 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3hnw h LEU 130 CO -0.09 0.88 -0.09 0.78 0.09 0.00 0.00 178.44 180.01 3hnw h ASN 131 N 0.02 0.07 0.00 -0.43 2.35 0.09 -3.11 115.58 114.58 3hnw h ASN 131 Ca 0.02 -0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.63 3hnw h ASN 131 Cb 0.78 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 39.11 3hnw h ASN 131 CO 0.05 0.17 -0.66 0.44 -1.65 0.00 0.00 177.43 175.78 3hnw h ASP 132 N 0.08 0.01 -0.02 5.81 5.19 -0.43 -3.50 116.42 123.55 3hnw h ASP 132 Ca 0.02 -0.76 0.00 0.00 -0.62 0.00 0.00 57.03 55.67 3hnw h ASP 132 Cb 0.21 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.71 3hnw h ASP 132 CO 0.01 1.26 0.00 -1.20 -3.12 0.00 0.00 179.24 176.19