#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hms s GLN 8 N 0.00 3.59 -0.08 1.64 2.00 -1.26 -4.45 119.66 121.11 2hms s GLN 8 Ca 0.00 -0.21 0.05 0.00 -2.00 0.00 0.00 55.36 53.20 2hms s GLN 8 Cb 0.00 -3.81 -0.00 0.00 0.80 0.00 0.00 33.01 29.99 2hms s GLN 8 CO 0.00 -0.64 -0.24 -0.06 -0.50 0.00 0.00 175.29 173.85 2hms s PHE 9 N 2.35 2.47 -0.04 1.67 0.08 -1.21 -2.80 117.98 120.50 2hms s PHE 9 Ca 0.18 -0.89 0.02 0.00 0.12 0.00 0.00 56.93 56.35 2hms s PHE 9 Cb -0.16 -1.64 0.01 0.00 -0.57 0.00 0.00 43.02 40.67 2hms s PHE 9 CO 0.13 -0.33 -0.09 0.00 -0.10 0.00 0.00 175.22 174.84 2hms s ALA 10 N 0.13 0.92 -0.14 5.36 0.00 -0.53 -0.43 121.76 127.07 2hms s ALA 10 Ca -0.12 -0.27 0.02 0.00 0.00 0.00 0.00 51.96 51.59 2hms s ALA 10 Cb -0.16 -0.42 0.02 0.00 0.00 0.00 0.00 23.12 22.56 2hms s ALA 10 CO 0.07 0.09 -0.18 0.08 0.00 0.00 0.00 175.76 175.81 2hms s VAL 11 N 0.54 1.81 -0.23 0.00 1.01 0.09 -0.95 120.40 122.68 2hms s VAL 11 Ca -0.09 -0.81 -0.05 0.00 0.00 0.00 0.00 61.98 61.02 2hms s VAL 11 Cb -0.13 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 2hms s VAL 11 CO 0.01 0.50 0.01 -0.63 0.00 0.00 0.00 175.10 174.99 2hms s ILE 12 N 1.06 3.85 0.00 2.22 1.01 0.49 -1.52 121.20 128.31 2hms s ILE 12 Ca -0.03 -0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.29 2hms s ILE 12 Cb -0.14 -2.77 0.00 0.00 0.01 0.00 0.00 42.46 39.56 2hms s ILE 12 CO -0.05 0.39 0.00 0.61 0.00 0.00 0.00 174.94 175.89 2hms n GLY 13 N 4.70 0.20 2.57 6.18 0.00 -0.11 0.45 105.19 119.19 2hms n GLY 13 Ca -0.17 -0.78 -0.37 0.00 0.00 0.00 0.00 46.02 44.70 2hms n GLY 13 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2hms n LEU 14 N 0.00 7.48 0.00 0.99 4.77 -1.25 -3.92 117.00 125.07 2hms n LEU 14 Ca 0.00 -4.82 0.00 0.00 -0.03 0.00 0.00 56.01 51.16 2hms n LEU 14 Cb 0.00 -1.25 0.00 0.00 -2.33 0.00 0.00 43.42 39.84 2hms n LEU 14 CO 0.00 1.95 0.00 0.61 -1.33 0.00 0.00 177.39 178.62 2hms n GLY 15 N 0.85 1.20 0.16 -0.72 0.00 -1.26 -4.35 105.19 101.08 2hms n GLY 15 Ca 0.55 -1.92 -0.06 0.00 0.00 0.00 0.00 46.02 44.59 2hms n GLY 15 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2hms h ARG 16 N 0.00 -0.03 0.30 1.61 3.08 -1.95 0.32 114.38 117.72 2hms h ARG 16 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2hms h ARG 16 Cb 0.00 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.06 2hms h ARG 16 CO 0.00 -0.02 -0.15 0.35 -1.07 0.00 0.00 179.97 179.09 2hms h PHE 17 N -0.03 -0.38 -0.53 3.04 3.57 -1.92 -2.61 116.94 118.08 2hms h PHE 17 Ca 0.16 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.71 2hms h PHE 17 Cb 0.27 0.12 -0.06 0.00 2.79 0.00 0.00 35.95 39.08 2hms h PHE 17 CO -0.32 -0.23 0.23 0.78 -2.23 0.00 0.00 178.31 176.53 2hms h GLY 18 N -0.52 0.74 2.00 2.40 0.00 -1.67 -1.64 103.07 104.38 2hms h GLY 18 Ca -0.04 -0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 2hms h GLY 18 CO 0.07 0.05 -0.22 -1.33 0.00 0.00 0.00 176.54 175.11 2hms h GLY 19 N 0.43 0.00 2.00 4.60 0.00 -0.48 -1.64 103.07 107.99 2hms h GLY 19 Ca 0.25 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.45 2hms h GLY 19 CO -0.22 0.00 -0.62 0.23 0.00 0.00 0.00 176.54 175.92 2hms h SER 20 N 0.00 0.00 0.69 0.19 0.87 -0.91 -1.26 113.55 113.13 2hms h SER 20 Ca -0.00 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.29 2hms h SER 20 Cb 0.39 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 2hms h SER 20 CO 0.03 0.62 -1.24 -0.29 -0.53 0.00 0.00 176.83 175.42 2hms h ILE 21 N 0.00 1.49 -0.54 2.23 2.10 -0.79 -2.85 117.51 119.14 2hms h ILE 21 Ca -0.01 -3.11 -0.06 0.00 1.08 0.00 0.00 64.86 62.77 2hms h ILE 21 Cb 1.13 2.88 -0.02 0.00 -1.09 0.00 0.00 36.82 39.72 2hms h ILE 21 CO 0.08 0.89 0.12 0.58 -1.08 0.00 0.00 178.15 178.74 2hms h VAL 22 N 0.05 1.25 -0.76 2.19 2.07 -1.16 -1.21 116.25 118.68 2hms h VAL 22 Ca -0.12 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 2hms h VAL 22 Cb 1.93 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 32.46 2hms h VAL 22 CO 0.18 0.33 0.45 0.11 0.02 0.00 0.00 177.57 178.65 2hms h LYS 23 N 0.77 1.04 -0.36 1.57 1.57 -1.28 -2.36 116.57 117.52 2hms h LYS 23 Ca 0.17 -0.10 -0.08 0.00 -1.87 0.00 0.00 60.65 58.77 2hms h LYS 23 Cb 0.37 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2hms h LYS 23 CO 0.01 0.75 -0.07 0.93 -0.57 0.00 0.00 179.45 180.49 2hms h GLU 24 N 1.05 0.69 -0.89 3.15 4.39 -1.22 -1.57 114.58 120.16 2hms h GLU 24 Ca 0.27 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2hms h GLU 24 Cb -0.01 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.55 2hms h GLU 24 CO -0.05 0.84 0.58 -0.07 -1.16 0.00 0.00 179.01 179.14 2hms h LEU 25 N 0.48 1.04 0.13 1.33 3.38 -1.15 -2.15 115.31 118.38 2hms h LEU 25 Ca 0.09 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2hms h LEU 25 Cb 0.57 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2hms h LEU 25 CO 0.03 0.77 -0.06 -0.74 0.09 0.00 0.00 178.44 178.53 2hms h HIS 26 N 1.22 -0.17 -0.13 1.13 2.76 -1.32 0.73 115.15 119.37 2hms h HIS 26 Ca 0.32 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.53 2hms h HIS 26 Cb -0.11 0.05 -0.01 0.00 1.55 0.00 0.00 27.41 28.90 2hms h HIS 26 CO -0.01 -0.00 0.19 -0.09 -1.30 0.00 0.00 177.93 176.73 2hms h ARG 27 N -0.30 0.00 -0.71 5.26 2.43 -0.97 0.36 114.38 120.46 2hms h ARG 27 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2hms h ARG 27 Cb 0.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 2hms h ARG 27 CO 0.03 0.00 0.00 -1.33 -1.51 0.00 0.00 179.97 177.16 2hms n MET 28 N -3.54 3.20 -2.15 0.20 2.81 -0.84 -4.95 117.12 111.84 2hms n MET 28 Ca 0.00 -2.79 -0.09 0.00 -1.81 0.00 0.00 57.70 53.02 2hms n MET 28 Cb 0.30 -1.72 -0.00 0.00 -0.71 0.00 0.00 33.22 31.08 2hms n MET 28 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2hms n GLY 29 N 1.46 0.02 3.95 3.03 0.00 0.13 -5.04 105.19 108.73 2hms n GLY 29 Ca 0.26 -0.51 -0.25 0.00 0.00 0.00 0.00 46.02 45.51 2hms n GLY 29 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2hms s HIS 30 N -2.45 3.48 0.02 1.61 3.76 0.21 -5.01 115.29 116.92 2hms s HIS 30 Ca 0.00 0.18 -0.27 0.00 -0.15 0.00 0.00 55.06 54.83 2hms s HIS 30 Cb 0.00 -1.73 -0.05 0.00 1.11 0.00 0.00 32.58 31.91 2hms s HIS 30 CO 0.00 0.40 0.84 -1.21 -0.85 0.00 0.00 174.74 173.92 2hms s GLU 31 N -3.59 4.53 -0.03 1.40 2.02 -1.26 -4.34 118.70 117.42 2hms s GLU 31 Ca 0.36 1.17 0.01 0.00 0.02 0.00 0.00 54.97 56.53 2hms s GLU 31 Cb -0.10 -3.41 0.02 0.00 0.10 0.00 0.00 34.13 30.74 2hms s GLU 31 CO 0.30 0.14 -0.02 0.08 0.02 0.00 0.00 175.26 175.78 2hms s VAL 32 N 0.40 0.28 -0.40 2.63 1.01 -1.26 -3.33 120.40 119.74 2hms s VAL 32 Ca 0.43 0.01 -0.13 0.00 0.00 0.00 0.00 61.98 62.29 2hms s VAL 32 Cb -0.20 -0.35 0.03 0.00 0.00 0.00 0.00 36.38 35.85 2hms s VAL 32 CO 0.24 0.16 0.27 -0.22 0.00 0.00 0.00 175.10 175.55 2hms s LEU 33 N 0.90 4.98 -0.05 3.92 0.20 0.43 -1.95 118.68 127.11 2hms s LEU 33 Ca -0.10 -0.97 -0.12 0.00 0.69 0.00 0.00 54.13 53.63 2hms s LEU 33 Cb -0.13 -2.10 -0.05 0.00 -0.43 0.00 0.00 46.19 43.48 2hms s LEU 33 CO -0.01 -0.43 0.31 0.00 -0.29 0.00 0.00 176.35 175.92 2hms s ALA 34 N 1.62 3.76 -0.02 5.97 0.00 0.47 -0.73 121.76 132.83 2hms s ALA 34 Ca 0.04 -0.38 -0.03 0.00 0.00 0.00 0.00 51.96 51.59 2hms s ALA 34 Cb -0.19 -2.24 0.00 0.00 0.00 0.00 0.00 23.12 20.70 2hms s ALA 34 CO 0.08 0.51 0.07 0.54 0.00 0.00 0.00 175.76 176.97 2hms s VAL 35 N -0.99 0.02 0.25 0.00 0.11 -0.58 -0.92 120.40 118.30 2hms s VAL 35 Ca 0.20 -0.13 -0.19 0.00 -2.93 0.00 0.00 61.98 58.93 2hms s VAL 35 Cb -0.15 -0.15 0.02 0.00 -1.53 0.00 0.00 36.38 34.57 2hms s VAL 35 CO 0.10 -0.07 0.63 -0.62 -3.33 0.00 0.00 175.10 171.81 2hms s ASP 36 N -0.20 -0.26 0.02 3.54 2.15 -0.89 -0.93 116.67 120.11 2hms s ASP 36 Ca -0.02 -0.58 -0.02 0.00 0.43 0.00 0.00 52.55 52.36 2hms s ASP 36 Cb -0.02 0.67 -0.27 0.00 -0.30 0.00 0.00 42.92 43.00 2hms s ASP 36 CO 0.00 -1.23 0.92 0.16 -0.17 0.00 0.00 175.17 174.86 2hms h ILE 37 N 2.08 1.23 -3.09 4.11 3.07 -1.83 0.78 117.51 123.85 2hms h ILE 37 Ca -0.23 -2.88 -0.66 0.00 1.55 0.00 0.00 64.86 62.64 2hms h ILE 37 Cb 1.26 2.78 -0.13 0.00 -0.27 0.00 0.00 36.82 40.46 2hms h ILE 37 CO 0.29 0.82 -0.56 0.54 -1.05 0.00 0.00 178.15 178.19 2hms s ASN 38 N -6.95 5.68 0.40 2.16 6.03 -1.26 -4.60 114.94 116.41 2hms s ASN 38 Ca -0.07 0.23 0.07 0.00 -1.03 0.00 0.00 52.86 52.06 2hms s ASN 38 Cb 0.07 -1.77 0.84 0.00 -3.03 0.00 0.00 41.25 37.36 2hms s ASN 38 CO 0.85 0.34 2.03 1.05 -2.03 0.00 0.00 177.10 179.35 2hms h GLU 39 N 5.43 0.50 -0.51 3.55 4.11 -1.98 -2.41 114.58 123.27 2hms h GLU 39 Ca -0.49 -0.04 0.10 0.00 0.07 0.00 0.00 59.36 59.00 2hms h GLU 39 Cb 1.20 -0.11 -0.09 0.00 0.50 0.00 0.00 28.75 30.25 2hms h GLU 39 CO 0.59 0.37 -0.06 1.05 0.07 0.00 0.00 179.01 181.03 2hms h GLU 40 N 0.51 0.06 0.08 1.06 9.09 -1.99 0.70 114.58 124.09 2hms h GLU 40 Ca 0.13 -0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.54 2hms h GLU 40 Cb 0.01 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2hms h GLU 40 CO -0.02 0.04 -0.04 -0.22 0.05 0.00 0.00 179.01 178.82 2hms h LYS 41 N 0.06 -0.11 -0.67 1.06 1.63 -1.84 -1.98 116.57 114.72 2hms h LYS 41 Ca 0.25 0.01 0.09 0.00 -0.85 0.00 0.00 60.65 60.15 2hms h LYS 41 Cb 0.39 0.02 -0.07 0.00 -0.60 0.00 0.00 32.23 31.97 2hms h LYS 41 CO -0.47 0.09 0.30 0.28 -3.45 0.00 0.00 179.45 176.20 2hms h VAL 42 N -0.30 0.82 -0.32 2.00 2.07 -0.81 -2.68 116.25 117.04 2hms h VAL 42 Ca -0.01 -0.18 -0.07 0.00 0.82 0.00 0.00 66.70 67.26 2hms h VAL 42 Cb 0.25 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 2hms h VAL 42 CO 0.02 0.10 -0.07 0.78 0.02 0.00 0.00 177.57 178.41 2hms h ASN 43 N 0.52 0.61 0.06 0.57 2.35 0.42 -2.75 115.58 117.36 2hms h ASN 43 Ca 0.33 -0.36 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2hms h ASN 43 Cb 0.37 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.58 2hms h ASN 43 CO -0.28 0.83 0.00 0.00 -1.65 0.00 0.00 177.43 176.33 2hms n ALA 44 N -2.41 1.46 -0.24 -0.83 0.00 -0.75 -1.33 120.51 116.41 2hms n ALA 44 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2hms n ALA 44 Cb 0.32 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.70 2hms n ALA 44 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2hms n TYR 45 N -1.21 0.00 -0.20 0.00 4.02 -1.11 -4.75 117.16 113.90 2hms n TYR 45 Ca 0.02 -0.12 -0.03 0.00 -0.01 0.00 0.00 57.90 57.76 2hms n TYR 45 Cb 0.03 -0.01 0.08 0.00 -0.02 0.00 0.00 39.34 39.41 2hms n TYR 45 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2hms h ALA 46 N 0.00 0.78 0.00 -0.72 0.00 -0.92 -1.26 119.26 117.14 2hms h ALA 46 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2hms h ALA 46 Cb 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2hms h ALA 46 CO 0.00 -0.01 0.00 -1.13 0.00 0.00 0.00 179.25 178.11 2hms n SER 47 N -4.83 0.62 -0.77 0.00 3.41 -1.26 -2.87 113.62 107.91 2hms n SER 47 Ca 0.07 0.65 0.08 0.00 -0.26 0.00 0.00 58.87 59.40 2hms n SER 47 Cb 0.15 -0.78 0.14 0.00 -0.26 0.00 0.00 64.21 63.46 2hms n SER 47 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2hms n TYR 48 N -2.18 0.32 -4.06 7.33 4.02 -0.52 -4.99 117.16 117.09 2hms n TYR 48 Ca 0.02 -0.24 -0.13 0.00 -0.01 0.00 0.00 57.90 57.55 2hms n TYR 48 Cb 0.24 -0.01 -0.12 0.00 -0.02 0.00 0.00 39.34 39.43 2hms n TYR 48 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2hms s ALA 49 N -1.18 0.47 0.52 -0.72 0.00 -0.95 -4.47 121.76 115.43 2hms s ALA 49 Ca 0.26 -0.66 0.32 0.00 0.00 0.00 0.00 51.96 51.88 2hms s ALA 49 Cb 0.15 0.04 1.81 0.00 0.00 0.00 0.00 23.12 25.12 2hms s ALA 49 CO 0.21 -0.03 2.21 0.00 0.00 0.00 0.00 175.76 178.15 2hms h THR 50 N 4.60 0.40 -2.05 0.00 1.03 -1.67 -3.42 112.91 111.80 2hms h THR 50 Ca -0.34 -0.21 0.01 0.00 -0.01 0.00 0.00 66.41 65.86 2hms h THR 50 Cb 1.20 1.14 -0.21 0.00 -1.07 0.00 0.00 68.15 69.21 2hms h THR 50 CO 0.42 0.04 0.00 -1.00 -0.01 0.00 0.00 175.52 174.97 2hms s HIS 51 N -4.33 -1.02 -0.33 0.00 3.76 -1.16 -5.03 115.29 107.18 2hms s HIS 51 Ca -0.04 2.07 0.04 0.00 -0.15 0.00 0.00 55.06 56.98 2hms s HIS 51 Cb 0.14 0.60 0.09 0.00 1.11 0.00 0.00 32.58 34.52 2hms s HIS 51 CO 0.53 -0.51 0.03 0.00 -0.85 0.00 0.00 174.74 173.94 2hms s ALA 52 N 1.56 2.82 0.02 -1.40 0.00 -1.26 -0.39 121.76 123.11 2hms s ALA 52 Ca -0.09 -2.41 -0.00 0.00 0.00 0.00 0.00 51.96 49.45 2hms s ALA 52 Cb -0.05 -1.91 -0.04 0.00 0.00 0.00 0.00 23.12 21.12 2hms s ALA 52 CO -0.19 -1.62 0.14 0.08 0.00 0.00 0.00 175.76 174.17 2hms s VAL 53 N 0.95 5.08 -0.20 0.00 1.01 -0.09 -4.89 120.40 122.26 2hms s VAL 53 Ca 0.08 -0.38 -0.17 0.00 0.00 0.00 0.00 61.98 61.51 2hms s VAL 53 Cb -0.19 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 2hms s VAL 53 CO -0.08 0.25 0.44 -0.63 0.00 0.00 0.00 175.10 175.09 2hms s ILE 54 N -1.34 5.17 0.01 2.22 1.01 -1.26 -2.09 121.20 124.91 2hms s ILE 54 Ca 0.28 0.80 -0.28 0.00 0.00 0.00 0.00 60.65 61.45 2hms s ILE 54 Cb -0.12 -3.77 0.10 0.00 0.01 0.00 0.00 42.46 38.67 2hms s ILE 54 CO 0.20 0.23 0.83 0.00 0.00 0.00 0.00 174.94 176.20 2hms s ALA 55 N 1.40 -1.79 -0.41 9.38 0.00 0.27 -4.91 121.76 125.69 2hms s ALA 55 Ca 0.21 0.99 -0.08 0.00 0.00 0.00 0.00 51.96 53.08 2hms s ALA 55 Cb -0.15 0.36 0.08 0.00 0.00 0.00 0.00 23.12 23.41 2hms s ALA 55 CO 0.09 -0.64 0.24 1.21 0.00 0.00 0.00 175.76 176.65 2hms s ASN 56 N -2.30 5.57 0.66 0.00 2.47 -1.26 -2.72 114.94 117.35 2hms s ASN 56 Ca 0.02 -1.53 0.40 0.00 0.42 0.00 0.00 52.86 52.17 2hms s ASN 56 Cb -0.01 -1.96 2.19 0.00 -1.45 0.00 0.00 41.25 40.02 2hms s ASN 56 CO -0.07 -0.52 2.26 0.00 -3.72 0.00 0.00 177.10 175.05 2hms h ALA 57 N 8.35 1.16 0.00 1.71 0.00 -1.96 -1.48 119.26 127.04 2hms h ALA 57 Ca -0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2hms h ALA 57 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2hms h ALA 57 CO 0.74 -0.09 0.00 1.79 0.00 0.00 0.00 179.25 181.69 2hms h THR 58 N 0.00 0.00 -3.63 0.00 1.35 -1.93 -3.42 112.91 105.28 2hms h THR 58 Ca 0.01 -0.58 -0.60 0.00 -0.55 0.00 0.00 66.41 64.69 2hms h THR 58 Cb 0.16 1.58 -0.10 0.00 -1.73 0.00 0.00 68.15 68.06 2hms h THR 58 CO -0.00 0.00 0.62 -1.61 -0.25 0.00 0.00 175.52 174.28 2hms s GLU 59 N -3.58 3.61 0.54 4.72 0.41 -0.56 -4.92 118.70 118.92 2hms s GLU 59 Ca 0.02 0.28 0.26 0.00 -0.41 0.00 0.00 54.97 55.13 2hms s GLU 59 Cb 0.08 -3.90 1.54 0.00 -1.78 0.00 0.00 34.13 30.08 2hms s GLU 59 CO 0.56 -1.18 2.14 1.05 -0.49 0.00 0.00 175.26 177.34 2hms h GLU 60 N 8.97 0.00 0.02 1.61 9.09 -1.87 -1.47 114.58 130.94 2hms h GLU 60 Ca -0.24 0.00 -0.25 0.00 0.05 0.00 0.00 59.36 58.93 2hms h GLU 60 Cb 1.07 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 28.20 2hms h GLU 60 CO 1.03 0.07 -0.97 -2.95 0.05 0.00 0.00 179.01 176.24 2hms h ASN 61 N 0.00 0.82 0.29 3.06 -1.07 -1.95 -2.73 115.58 114.00 2hms h ASN 61 Ca -0.00 -0.76 -0.05 0.00 0.07 0.00 0.00 56.30 55.56 2hms h ASN 61 Cb 0.18 -0.25 -0.01 0.00 -2.07 0.00 0.00 38.32 36.17 2hms h ASN 61 CO 0.01 1.48 -0.23 -0.33 0.07 0.00 0.00 177.43 178.42 2hms h GLU 62 N 0.25 0.00 -0.15 4.14 5.08 -1.71 -1.86 114.58 120.32 2hms h GLU 62 Ca -0.13 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.08 2hms h GLU 62 Cb 1.65 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.89 2hms h GLU 62 CO 0.19 0.23 -0.54 1.25 -1.00 0.00 0.00 179.01 179.15 2hms h LEU 63 N 0.00 0.50 -0.34 1.33 5.85 -1.24 -3.04 115.31 118.37 2hms h LEU 63 Ca -0.00 -0.26 -0.19 0.00 0.84 0.00 0.00 57.88 58.26 2hms h LEU 63 Cb 0.44 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2hms h LEU 63 CO 0.03 0.94 -0.81 -0.07 -0.34 0.00 0.00 178.44 178.18 2hms h LEU 64 N 0.35 0.39 -1.36 2.25 3.38 -1.10 -3.00 115.31 116.22 2hms h LEU 64 Ca 0.01 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.70 2hms h LEU 64 Cb 1.05 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 2hms h LEU 64 CO 0.10 1.05 0.44 0.28 0.09 0.00 0.00 178.44 180.39 2hms h SER 65 N 0.20 0.74 0.45 -0.43 0.02 -1.26 0.14 113.55 113.40 2hms h SER 65 Ca -0.04 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2hms h SER 65 Cb 1.41 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2hms h SER 65 CO 0.13 0.53 0.00 0.18 -1.14 0.00 0.00 176.83 176.53 2hms n LEU 66 N -4.44 0.00 -3.73 5.07 4.32 -1.16 -4.87 117.00 112.19 2hms n LEU 66 Ca 0.07 0.26 -0.28 0.00 -0.02 0.00 0.00 56.01 56.05 2hms n LEU 66 Cb 0.06 -0.26 0.04 0.00 -1.62 0.00 0.00 43.42 41.64 2hms n LEU 66 CO 0.36 -0.04 0.13 0.61 -1.22 0.00 0.00 177.39 177.22 2hms n GLY 67 N 0.88 -0.51 0.34 -0.72 0.00 0.49 -4.81 105.19 100.86 2hms n GLY 67 Ca 0.13 0.20 0.20 0.00 0.00 0.00 0.00 46.02 46.55 2hms n GLY 67 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2hms h ILE 68 N -2.12 0.00 0.00 -0.61 -0.00 -1.74 -1.59 117.51 111.45 2hms h ILE 68 Ca -0.56 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.30 2hms h ILE 68 Cb 1.37 0.89 0.00 0.00 -0.00 0.00 0.00 36.82 39.08 2hms h ILE 68 CO 0.63 0.00 0.00 -0.09 -0.00 0.00 0.00 178.15 178.69 2hms h ARG 69 N 0.00 0.00 -0.08 2.19 2.43 -1.87 -2.58 114.38 114.46 2hms h ARG 69 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2hms h ARG 69 Cb 0.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2hms h ARG 69 CO 0.00 0.00 0.00 0.09 -1.51 0.00 0.00 179.97 178.55 2hms n ASN 70 N -2.33 0.48 -4.57 -3.80 3.02 -0.60 -4.83 115.26 102.63 2hms n ASN 70 Ca 0.02 -1.89 -0.32 0.00 -0.03 0.00 0.00 54.58 52.36 2hms n ASN 70 Cb 0.23 -0.05 -0.11 0.00 -0.61 0.00 0.00 39.78 39.23 2hms n ASN 70 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2hms s PHE 71 N -1.89 2.84 -0.04 3.10 0.40 -0.98 -4.92 117.98 116.49 2hms s PHE 71 Ca 0.11 -0.07 0.13 0.00 -0.60 0.00 0.00 56.93 56.49 2hms s PHE 71 Cb 0.06 -1.59 -0.22 0.00 0.51 0.00 0.00 43.02 41.77 2hms s PHE 71 CO 0.08 0.35 0.70 0.93 0.70 0.00 0.00 175.22 177.98 2hms h GLU 72 N 4.53 0.00 -4.42 0.44 5.08 -1.88 -3.42 114.58 114.92 2hms h GLU 72 Ca -0.48 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.30 2hms h GLU 72 Cb 1.17 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 30.05 2hms h GLU 72 CO 0.53 0.50 -0.81 0.71 -1.00 0.00 0.00 179.01 178.94 2hms s TYR 73 N -2.62 1.95 -0.11 4.33 1.51 -1.12 -1.23 117.35 120.05 2hms s TYR 73 Ca -0.04 -1.16 0.03 0.00 -1.01 0.00 0.00 57.07 54.90 2hms s TYR 73 Cb 0.08 -1.45 0.00 0.00 -0.11 0.00 0.00 41.96 40.48 2hms s TYR 73 CO 0.82 -0.64 -0.22 0.08 -1.11 0.00 0.00 175.55 174.48 2hms s VAL 74 N 1.56 1.98 -0.22 0.71 1.01 -0.36 -1.45 120.40 123.62 2hms s VAL 74 Ca 0.03 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 61.00 2hms s VAL 74 Cb -0.14 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 2hms s VAL 74 CO -0.09 0.54 -0.01 -0.63 0.00 0.00 0.00 175.10 174.91 2hms s ILE 75 N 0.53 3.66 -0.31 2.22 1.09 -0.12 -0.96 121.20 127.31 2hms s ILE 75 Ca -0.15 -0.40 -0.18 0.00 -1.10 0.00 0.00 60.65 58.82 2hms s ILE 75 Cb -0.17 -2.68 -0.01 0.00 -1.06 0.00 0.00 42.46 38.54 2hms s ILE 75 CO 0.05 0.40 0.54 -0.69 -0.10 0.00 0.00 174.94 175.14 2hms s VAL 76 N 1.45 5.02 -0.18 2.92 1.01 0.18 -0.38 120.40 130.41 2hms s VAL 76 Ca 0.05 0.64 0.16 0.00 0.00 0.00 0.00 61.98 62.83 2hms s VAL 76 Cb -0.14 -3.92 0.45 0.00 0.00 0.00 0.00 36.38 32.76 2hms s VAL 76 CO -0.01 -0.09 1.18 0.00 0.00 0.00 0.00 175.10 176.18 2hms n ALA 77 N 5.70 3.43 -1.45 5.51 0.00 0.17 -1.64 120.51 132.23 2hms n ALA 77 Ca -0.04 -3.06 -0.33 0.00 0.00 0.00 0.00 53.44 50.01 2hms n ALA 77 Cb 0.49 -0.55 0.06 0.00 0.00 0.00 0.00 19.45 19.46 2hms n ALA 77 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2hms s ILE 78 N -2.81 2.94 0.00 0.00 1.01 -1.23 -4.61 121.20 116.50 2hms s ILE 78 Ca 0.38 0.44 0.00 0.00 0.00 0.00 0.00 60.65 61.47 2hms s ILE 78 Cb 0.37 -2.97 0.00 0.00 0.01 0.00 0.00 42.46 39.88 2hms s ILE 78 CO -0.07 -0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.22 2hms n GLY 79 N -0.23 0.52 0.16 6.18 0.00 -1.26 -4.91 105.19 105.65 2hms n GLY 79 Ca 0.11 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.14 2hms n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hms n ALA 80 N -3.00 0.02 -1.83 4.61 0.00 -1.26 -3.79 120.51 115.27 2hms n ALA 80 Ca 0.00 0.45 -0.21 0.00 0.00 0.00 0.00 53.44 53.68 2hms n ALA 80 Cb 0.00 -0.24 -0.07 0.00 0.00 0.00 0.00 19.45 19.15 2hms n ALA 80 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2hms s ASN 81 N -5.13 4.43 0.26 0.00 3.84 -1.26 -4.79 114.94 112.28 2hms s ASN 81 Ca -0.06 -0.67 -0.03 0.00 0.21 0.00 0.00 52.86 52.31 2hms s ASN 81 Cb 0.10 -2.57 0.38 0.00 -0.55 0.00 0.00 41.25 38.62 2hms s ASN 81 CO 0.32 -3.52 1.89 0.40 -2.79 0.00 0.00 177.10 173.40 2hms h ILE 82 N 7.11 1.11 -0.57 -5.21 2.04 -1.95 -2.00 117.51 118.05 2hms h ILE 82 Ca 0.07 -0.41 -0.06 0.00 1.00 0.00 0.00 64.86 65.46 2hms h ILE 82 Cb 0.99 -0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 2hms h ILE 82 CO 1.11 0.22 0.13 1.56 0.00 0.00 0.00 178.15 181.17 2hms h GLN 83 N 1.21 0.91 -0.80 2.37 7.50 -1.93 -2.14 115.11 122.23 2hms h GLN 83 Ca 0.42 -0.23 0.15 0.00 0.50 0.00 0.00 58.65 59.49 2hms h GLN 83 Cb 0.12 -0.12 -0.09 0.00 0.05 0.00 0.00 27.48 27.44 2hms h GLN 83 CO -0.16 0.86 0.37 0.00 -1.50 0.00 0.00 178.83 178.40 2hms h ALA 84 N 1.02 1.18 0.45 3.87 0.00 -1.77 0.48 119.26 124.48 2hms h ALA 84 Ca 0.18 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 2hms h ALA 84 Cb 0.36 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2hms h ALA 84 CO 0.00 -0.15 -0.21 1.03 0.00 0.00 0.00 179.25 179.92 2hms h SER 85 N 0.53 -0.51 0.04 0.00 0.87 -0.92 -0.57 113.55 113.00 2hms h SER 85 Ca 0.44 -0.06 -0.09 0.00 -1.23 0.00 0.00 61.79 60.86 2hms h SER 85 Cb 0.65 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.73 2hms h SER 85 CO -0.38 -0.25 -0.27 0.71 -0.53 0.00 0.00 176.83 176.11 2hms h THR 86 N -0.75 1.26 -0.24 2.23 1.35 -0.93 -1.29 112.91 114.53 2hms h THR 86 Ca -0.06 -1.24 -0.02 0.00 -0.55 0.00 0.00 66.41 64.54 2hms h THR 86 Cb 0.53 1.42 -0.01 0.00 -1.73 0.00 0.00 68.15 68.36 2hms h THR 86 CO 0.10 0.38 0.08 0.25 -0.25 0.00 0.00 175.52 176.08 2hms h LEU 87 N 0.32 0.36 -0.04 3.87 5.85 -0.02 -0.51 115.31 125.14 2hms h LEU 87 Ca 0.05 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.57 2hms h LEU 87 Cb 0.65 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2hms h LEU 87 CO 0.05 0.47 -0.02 0.74 -0.34 0.00 0.00 178.44 179.33 2hms h THR 88 N 0.23 0.92 0.00 1.05 2.02 -0.76 -1.75 112.91 114.62 2hms h THR 88 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.26 2hms h THR 88 Cb 0.24 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 2hms h THR 88 CO -0.00 0.00 0.00 0.71 0.37 0.00 0.00 175.52 176.60 2hms h THR 89 N -0.02 0.00 0.02 3.16 1.35 -1.08 -1.76 112.91 114.58 2hms h THR 89 Ca 0.03 -0.29 -0.19 0.00 -0.55 0.00 0.00 66.41 65.42 2hms h THR 89 Cb 0.06 1.15 0.02 0.00 -1.73 0.00 0.00 68.15 67.65 2hms h THR 89 CO -0.06 0.00 -0.74 0.25 -0.25 0.00 0.00 175.52 174.72 2hms h LEU 90 N 0.00 0.61 0.31 3.87 5.85 -0.45 -3.11 115.31 122.38 2hms h LEU 90 Ca 0.00 -0.78 -0.01 0.00 0.84 0.00 0.00 57.88 57.92 2hms h LEU 90 Cb 0.32 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 2hms h LEU 90 CO 0.00 1.32 -0.17 -0.07 -0.34 0.00 0.00 178.44 179.18 2hms h LEU 91 N -0.03 -0.40 0.00 2.25 3.38 -0.54 -2.54 115.31 117.42 2hms h LEU 91 Ca -0.10 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2hms h LEU 91 Cb 1.45 0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.32 2hms h LEU 91 CO 0.14 -0.27 0.00 0.00 0.09 0.00 0.00 178.44 178.40 2hms n LEU 92 N -5.29 0.00 0.03 1.67 -0.00 -0.74 -2.05 117.00 110.62 2hms n LEU 92 Ca -0.10 0.00 0.11 0.00 -0.00 0.00 0.00 56.01 56.02 2hms n LEU 92 Cb 0.20 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.56 2hms n LEU 92 CO 0.35 0.00 -0.27 1.17 -0.00 0.00 0.00 177.39 178.63 2hms n LYS 93 N -0.83 0.46 -0.19 1.47 3.00 -0.97 -3.01 118.16 118.08 2hms n LYS 93 Ca 0.14 -0.05 0.11 0.00 -0.00 0.00 0.00 58.31 58.50 2hms n LYS 93 Cb 0.06 -1.60 0.27 0.00 0.00 0.00 0.00 35.03 33.76 2hms n LYS 93 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2hms n GLU 94 N -2.17 2.24 -0.14 1.64 0.28 -0.87 -3.23 120.64 118.39 2hms n GLU 94 Ca -0.00 -1.89 0.07 0.00 -0.16 0.00 0.00 57.16 55.18 2hms n GLU 94 Cb 0.50 -1.46 0.15 0.00 1.43 0.00 0.00 31.44 32.06 2hms n GLU 94 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2hms n LEU 95 N 1.08 2.84 -1.73 -1.84 4.32 -1.21 -4.98 117.00 115.48 2hms n LEU 95 Ca 0.18 -1.61 -0.19 0.00 -0.02 0.00 0.00 56.01 54.38 2hms n LEU 95 Cb 0.49 -0.19 -0.05 0.00 -1.62 0.00 0.00 43.42 42.06 2hms n LEU 95 CO 0.14 0.65 -0.20 0.47 -1.22 0.00 0.00 177.39 177.23 2hms n ASP 96 N 0.84 -5.29 -4.67 -1.43 9.92 -1.20 -4.91 116.55 109.81 2hms n ASP 96 Ca 0.13 0.25 -0.43 0.00 -0.53 0.00 0.00 54.79 54.20 2hms n ASP 96 Cb 0.44 -4.39 -0.03 0.00 -0.64 0.00 0.00 41.12 36.49 2hms n ASP 96 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2hms n ILE 97 N -3.16 0.67 -0.26 0.53 5.41 -1.16 -4.88 119.36 116.51 2hms n ILE 97 Ca -0.20 -0.12 0.07 0.00 1.00 0.00 0.00 62.75 63.50 2hms n ILE 97 Cb 0.63 -2.19 0.19 0.00 -0.71 0.00 0.00 39.64 37.56 2hms n ILE 97 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 2hms h PRO 98 N 9.97 0.18 -3.58 0.38 0.11 -1.81 -3.40 132.00 133.85 2hms h PRO 98 Ca -0.49 -0.01 -0.40 0.00 0.11 0.00 0.00 66.00 65.21 2hms h PRO 98 Cb 1.24 -0.04 -0.38 0.00 0.11 0.00 0.00 31.00 31.94 2hms h PRO 98 CO 0.94 0.12 -0.75 -0.80 -0.21 0.00 0.00 178.00 177.30 2hms s ASN 99 N -5.19 1.25 -0.17 -2.05 -0.87 -0.37 -4.98 114.94 102.57 2hms s ASN 99 Ca -0.13 -0.02 0.01 0.00 -1.57 0.00 0.00 52.86 51.15 2hms s ASN 99 Cb 0.23 -0.31 0.02 0.00 -0.02 0.00 0.00 41.25 41.17 2hms s ASN 99 CO 0.76 -0.20 -0.16 0.27 -2.57 0.00 0.00 177.10 175.20 2hms s ILE 100 N 1.88 1.77 -0.13 0.60 -4.36 -1.26 -1.23 121.20 118.47 2hms s ILE 100 Ca 0.03 -0.80 -0.02 0.00 -0.26 0.00 0.00 60.65 59.59 2hms s ILE 100 Cb -0.12 -1.65 -0.02 0.00 1.25 0.00 0.00 42.46 41.91 2hms s ILE 100 CO -0.04 0.45 -0.07 0.26 0.24 0.00 0.00 174.94 175.79 2hms s TRP 101 N 1.40 2.96 0.01 1.37 0.52 -0.13 -1.32 118.94 123.74 2hms s TRP 101 Ca 0.04 -0.33 0.05 0.00 0.02 0.00 0.00 56.10 55.88 2hms s TRP 101 Cb -0.13 -1.89 -0.02 0.00 -1.15 0.00 0.00 33.47 30.28 2hms s TRP 101 CO -0.11 -0.02 -0.15 0.08 0.02 0.00 0.00 176.95 176.77 2hms s VAL 102 N 0.17 1.21 -0.04 4.03 1.01 -0.35 0.48 120.40 126.91 2hms s VAL 102 Ca -0.03 -0.80 -0.27 0.00 0.00 0.00 0.00 61.98 60.88 2hms s VAL 102 Cb -0.14 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 2hms s VAL 102 CO 0.03 0.23 0.84 -0.75 0.00 0.00 0.00 175.10 175.45 2hms s LYS 103 N -0.66 4.49 -0.19 2.72 2.20 -0.65 0.04 119.74 127.69 2hms s LYS 103 Ca 0.05 1.15 -0.11 0.00 -0.36 0.00 0.00 55.97 56.69 2hms s LYS 103 Cb -0.07 -3.46 -0.05 0.00 -1.51 0.00 0.00 37.83 32.75 2hms s LYS 103 CO 0.00 -0.00 0.18 0.00 -0.36 0.00 0.00 175.35 175.17 2hms s ALA 104 N 0.95 3.66 0.09 3.13 0.00 0.17 -4.87 121.76 124.88 2hms s ALA 104 Ca 0.45 -0.62 -0.15 0.00 0.00 0.00 0.00 51.96 51.63 2hms s ALA 104 Cb -0.19 -2.23 -0.12 0.00 0.00 0.00 0.00 23.12 20.58 2hms s ALA 104 CO 0.23 0.14 1.36 0.37 0.00 0.00 0.00 175.76 177.85 2hms h GLN 105 N 6.67 0.68 0.00 0.00 5.75 -1.92 -3.43 115.11 122.86 2hms h GLN 105 Ca -0.41 -0.42 0.00 0.00 -0.15 0.00 0.00 58.65 57.67 2hms h GLN 105 Cb 1.15 0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.75 2hms h GLN 105 CO 0.76 1.04 0.00 0.27 -2.65 0.00 0.00 178.83 178.25 2hms n ASN 106 N -4.21 0.00 -0.04 -0.69 0.23 -1.26 -5.04 115.26 104.25 2hms n ASN 106 Ca -0.05 -0.02 -0.13 0.00 -0.53 0.00 0.00 54.58 53.85 2hms n ASN 106 Cb 0.54 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.16 2hms n ASN 106 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2hms h TYR 107 N 0.02 0.28 -0.09 -2.53 3.20 -1.99 -1.67 116.97 114.18 2hms h TYR 107 Ca 0.00 -0.08 -0.10 0.00 3.14 0.00 0.00 58.73 61.69 2hms h TYR 107 Cb 0.00 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 2hms h TYR 107 CO 0.00 0.66 -0.39 1.88 -1.64 0.00 0.00 178.16 178.67 2hms h TYR 108 N -0.18 0.23 -0.57 -3.82 0.05 -2.00 -2.43 116.97 108.25 2hms h TYR 108 Ca 0.01 -0.06 -0.06 0.00 0.05 0.00 0.00 58.73 58.67 2hms h TYR 108 Cb 0.61 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 38.27 2hms h TYR 108 CO 0.09 0.56 0.11 1.25 -1.05 0.00 0.00 178.16 179.12 2hms h HIS 109 N 0.17 0.98 -0.16 4.88 2.76 -1.96 -1.98 115.15 119.86 2hms h HIS 109 Ca 0.02 -0.13 0.01 0.00 -2.20 0.00 0.00 60.37 58.07 2hms h HIS 109 Cb 0.76 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.44 2hms h HIS 109 CO 0.01 0.86 0.07 1.25 -1.30 0.00 0.00 177.93 178.82 2hms h HIS 110 N 0.83 0.13 -0.52 5.26 -0.00 -0.90 -0.92 115.15 119.04 2hms h HIS 110 Ca 0.17 0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 60.49 2hms h HIS 110 Cb 0.39 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 27.74 2hms h HIS 110 CO 0.03 0.07 0.06 0.87 -0.00 0.00 0.00 177.93 178.96 2hms h LYS 111 N 0.16 0.82 -0.30 5.26 1.57 -1.30 -1.10 116.57 121.68 2hms h LYS 111 Ca 0.06 -0.20 -0.15 0.00 -1.87 0.00 0.00 60.65 58.50 2hms h LYS 111 Cb 0.02 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 2hms h LYS 111 CO -0.05 0.79 -0.40 -0.24 -0.57 0.00 0.00 179.45 178.98 2hms h VAL 112 N 0.78 1.29 -0.82 0.50 3.04 -1.17 -2.41 116.25 117.47 2hms h VAL 112 Ca 0.16 -1.58 0.02 0.00 -1.01 0.00 0.00 66.70 64.29 2hms h VAL 112 Cb 0.38 1.58 -0.04 0.00 -2.01 0.00 0.00 31.29 31.20 2hms h VAL 112 CO 0.01 0.51 0.54 -0.07 -1.01 0.00 0.00 177.57 177.55 2hms h LEU 113 N 0.57 0.91 -0.17 3.16 3.38 -0.89 0.19 115.31 122.46 2hms h LEU 113 Ca 0.04 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.00 2hms h LEU 113 Cb 0.99 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 2hms h LEU 113 CO 0.09 0.65 0.06 -0.08 0.09 0.00 0.00 178.44 179.25 2hms h GLU 114 N 1.07 0.13 -0.01 1.13 4.81 -1.04 -1.75 114.58 118.92 2hms h GLU 114 Ca 0.31 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.37 2hms h GLU 114 Cb -0.06 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 2hms h GLU 114 CO -0.08 0.09 -0.74 0.87 -0.73 0.00 0.00 179.01 178.42 2hms h LYS 115 N 0.14 0.05 0.00 1.92 1.57 -0.88 -3.04 116.57 116.34 2hms h LYS 115 Ca 0.07 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2hms h LYS 115 Cb 0.05 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 2hms h LYS 115 CO -0.08 0.77 -0.05 0.82 -0.57 0.00 0.00 179.45 180.34 2hms h ILE 116 N 0.03 0.45 0.00 1.86 1.08 -0.35 -3.46 117.51 117.12 2hms h ILE 116 Ca -0.01 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 64.22 2hms h ILE 116 Cb 1.30 1.16 0.00 0.00 -3.07 0.00 0.00 36.82 36.22 2hms h ILE 116 CO 0.10 0.05 0.00 0.61 -0.69 0.00 0.00 178.15 178.22 2hms n GLY 117 N -0.97 1.40 3.77 5.37 0.00 -1.01 -4.95 105.19 108.80 2hms n GLY 117 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 2hms n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hms s ALA 118 N -2.00 3.38 0.05 4.61 0.00 -0.69 -4.90 121.76 122.21 2hms s ALA 118 Ca 0.00 1.40 0.10 0.00 0.00 0.00 0.00 51.96 53.46 2hms s ALA 118 Cb 0.00 -3.55 -0.21 0.00 0.00 0.00 0.00 23.12 19.36 2hms s ALA 118 CO 0.00 -0.96 1.02 -0.44 0.00 0.00 0.00 175.76 175.37 2hms h ASP 119 N 2.79 0.00 -3.46 0.00 3.32 -1.55 -3.46 116.42 114.06 2hms h ASP 119 Ca -0.50 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.41 2hms h ASP 119 Cb 1.25 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.53 2hms h ASP 119 CO 0.63 0.99 -0.33 -0.60 -1.72 0.00 0.00 179.24 178.21 2hms s ARG 120 N -2.67 0.37 -0.14 3.56 3.52 -1.09 -4.99 118.95 117.50 2hms s ARG 120 Ca -0.01 0.64 -0.00 0.00 -0.13 0.00 0.00 55.73 56.23 2hms s ARG 120 Cb 0.09 0.04 -0.01 0.00 -1.56 0.00 0.00 34.95 33.51 2hms s ARG 120 CO 0.82 -0.12 -0.13 0.42 -0.81 0.00 0.00 175.30 175.48 2hms s ILE 121 N 0.96 2.98 -0.09 4.11 1.01 -1.26 -1.21 121.20 127.70 2hms s ILE 121 Ca -0.06 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 59.92 2hms s ILE 121 Cb -0.07 -2.26 -0.02 0.00 0.01 0.00 0.00 42.46 40.12 2hms s ILE 121 CO -0.07 0.52 -0.10 -0.63 0.00 0.00 0.00 174.94 174.65 2hms s ILE 122 N 0.52 3.41 -0.70 2.92 1.09 0.11 -4.93 121.20 123.61 2hms s ILE 122 Ca -0.09 -0.57 0.05 0.00 -1.10 0.00 0.00 60.65 58.94 2hms s ILE 122 Cb -0.16 -2.40 0.17 0.00 -1.06 0.00 0.00 42.46 39.01 2hms s ILE 122 CO 0.04 0.56 0.49 -1.00 -0.10 0.00 0.00 174.94 174.94 2hms s HIS 123 N -0.35 3.57 0.10 3.97 3.76 -1.26 0.41 115.29 125.49 2hms s HIS 123 Ca 0.04 -3.33 -0.20 0.00 -0.15 0.00 0.00 55.06 51.43 2hms s HIS 123 Cb -0.12 -2.73 -0.04 0.00 1.11 0.00 0.00 32.58 30.79 2hms s HIS 123 CO 0.02 -0.56 1.02 -2.30 -0.85 0.00 0.00 174.74 172.07 2hms n PRO 124 N 2.03 -0.28 0.43 8.40 -0.02 -1.26 0.43 135.00 144.73 2hms n PRO 124 Ca 0.19 1.00 -0.19 0.00 -2.02 0.00 0.00 63.50 62.49 2hms n PRO 124 Cb 0.35 -1.47 -0.09 0.00 -0.02 0.00 0.00 33.50 32.27 2hms n PRO 124 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2hms h GLU 125 N 0.00 -1.04 -0.06 -0.52 4.57 -1.96 -1.16 114.58 114.41 2hms h GLU 125 Ca 0.10 0.07 0.02 0.00 -1.18 0.00 0.00 59.36 58.37 2hms h GLU 125 Cb 0.26 0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 2hms h GLU 125 CO -0.60 -0.69 -0.07 0.87 -1.18 0.00 0.00 179.01 177.34 2hms h LYS 126 N -1.14 -0.10 -0.45 1.92 1.79 -1.86 0.17 116.57 116.90 2hms h LYS 126 Ca -0.11 0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.40 2hms h LYS 126 Cb 0.84 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 31.47 2hms h LYS 126 CO 0.18 -0.07 0.22 -0.44 -1.08 0.00 0.00 179.45 178.27 2hms h ASP 127 N -0.10 0.32 -0.03 0.86 3.32 -0.04 0.47 116.42 121.21 2hms h ASP 127 Ca 0.05 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 2hms h ASP 127 Cb 0.17 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 2hms h ASP 127 CO -0.12 0.23 -0.16 -0.03 -1.72 0.00 0.00 179.24 177.44 2hms h MET 128 N 0.44 0.36 -0.41 3.56 4.05 -0.99 -2.68 114.93 119.26 2hms h MET 128 Ca 0.20 -0.10 0.07 0.00 -0.28 0.00 0.00 59.70 59.58 2hms h MET 128 Cb 0.11 -0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 30.81 2hms h MET 128 CO -0.14 0.52 0.07 0.78 0.23 0.00 0.00 176.91 178.36 2hms h GLY 129 N 0.89 0.47 2.00 1.39 0.00 0.15 -0.19 103.07 107.78 2hms h GLY 129 Ca 0.06 -0.01 -0.12 0.00 0.00 0.00 0.00 47.33 47.26 2hms h GLY 129 CO 0.03 -0.05 -0.57 -0.39 0.00 0.00 0.00 176.54 175.55 2hms h VAL 130 N 0.19 1.32 -0.39 4.60 -1.51 -0.97 -1.90 116.25 117.59 2hms h VAL 130 Ca 0.20 -2.02 -0.05 0.00 -1.23 0.00 0.00 66.70 63.60 2hms h VAL 130 Cb 0.26 2.12 -0.02 0.00 -2.13 0.00 0.00 31.29 31.52 2hms h VAL 130 CO -0.28 0.56 0.06 0.11 -1.23 0.00 0.00 177.57 176.79 2hms h LYS 131 N 0.00 0.65 -0.32 5.19 1.57 -1.09 0.45 116.57 123.02 2hms h LYS 131 Ca -0.01 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 2hms h LYS 131 Cb 1.07 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 2hms h LYS 131 CO 0.07 0.71 0.13 0.82 -0.57 0.00 0.00 179.45 180.61 2hms h ILE 132 N 0.50 1.19 -0.22 1.86 5.03 -0.96 -0.65 117.51 124.26 2hms h ILE 132 Ca 0.12 -0.57 0.03 0.00 -0.12 0.00 0.00 64.86 64.32 2hms h ILE 132 Cb 0.38 0.96 -0.01 0.00 -3.03 0.00 0.00 36.82 35.12 2hms h ILE 132 CO 0.01 0.20 0.15 0.00 -0.68 0.00 0.00 178.15 177.83 2hms h ALA 133 N 0.97 2.00 -0.24 1.87 0.00 -1.14 0.42 119.26 123.15 2hms h ALA 133 Ca 0.11 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.83 2hms h ALA 133 Cb 0.19 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2hms h ALA 133 CO -0.01 -0.04 -0.56 0.37 0.00 0.00 0.00 179.25 179.02 2hms h GLN 134 N 0.16 0.72 -0.39 0.00 5.75 -0.00 0.15 115.11 121.51 2hms h GLN 134 Ca 0.09 -0.46 -0.01 0.00 -0.15 0.00 0.00 58.65 58.11 2hms h GLN 134 Cb 0.17 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.76 2hms h GLN 134 CO -0.01 1.09 0.19 0.77 -2.65 0.00 0.00 178.83 178.21 2hms h SER 135 N 0.55 0.51 0.13 -0.69 0.02 0.43 0.15 113.55 114.65 2hms h SER 135 Ca 0.01 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 2hms h SER 135 Cb 1.14 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.55 2hms h SER 135 CO 0.12 0.49 -0.06 -0.07 -1.14 0.00 0.00 176.83 176.17 2hms h LEU 136 N 0.49 -0.15 -0.56 5.07 3.38 -0.87 -2.88 115.31 119.79 2hms h LEU 136 Ca 0.13 -0.09 0.11 0.00 0.09 0.00 0.00 57.88 58.12 2hms h LEU 136 Cb 0.12 0.04 -0.09 0.00 0.09 0.00 0.00 40.66 40.82 2hms h LEU 136 CO -0.02 -0.00 0.06 -1.28 0.09 0.00 0.00 178.44 177.29 2hms h SER 137 N -0.29 -0.12 -0.86 -0.43 0.87 -0.50 -0.12 113.55 112.11 2hms h SER 137 Ca -0.02 0.12 0.18 0.00 -1.23 0.00 0.00 61.79 60.84 2hms h SER 137 Cb 0.23 0.19 -0.06 0.00 -0.44 0.00 0.00 62.40 62.32 2hms h SER 137 CO 0.03 -0.04 0.57 0.44 -0.53 0.00 0.00 176.83 177.30 2hms h ASP 138 N 0.18 0.46 0.06 6.23 5.19 -0.77 0.34 116.42 128.10 2hms h ASP 138 Ca 0.29 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.74 2hms h ASP 138 Cb 0.44 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.90 2hms h ASP 138 CO -0.42 0.21 0.00 -0.62 -3.12 0.00 0.00 179.24 175.29 2hms n GLU 139 N -4.52 0.11 0.00 3.56 4.71 -0.06 -1.65 120.64 122.80 2hms n GLU 139 Ca 0.18 0.14 0.00 0.00 -0.01 0.00 0.00 57.16 57.47 2hms n GLU 139 Cb 0.60 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.53 2hms n GLU 139 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2hms n ASN 140 N -1.17 0.20 -0.03 1.62 4.13 0.99 -4.87 115.26 116.13 2hms n ASN 140 Ca 0.03 0.00 -0.15 0.00 1.68 0.00 0.00 54.58 56.14 2hms n ASN 140 Cb 0.03 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.23 2hms n ASN 140 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 2hms h VAL 141 N 0.00 1.29 -4.35 2.41 2.07 -1.00 -3.45 116.25 113.22 2hms h VAL 141 Ca 0.00 -1.90 -0.51 0.00 0.82 0.00 0.00 66.70 65.11 2hms h VAL 141 Cb 0.69 1.87 0.08 0.00 -1.52 0.00 0.00 31.29 32.41 2hms h VAL 141 CO 0.00 0.60 0.39 -0.76 0.02 0.00 0.00 177.57 177.82 2hms s LEU 142 N -8.44 3.16 -0.90 2.57 1.43 -0.66 -4.96 118.68 110.88 2hms s LEU 142 Ca -0.10 1.54 -0.23 0.00 -1.03 0.00 0.00 54.13 54.31 2hms s LEU 142 Cb 0.10 -4.47 0.07 0.00 0.03 0.00 0.00 46.19 41.91 2hms s LEU 142 CO 0.89 -1.25 1.28 0.20 0.23 0.00 0.00 176.35 177.70 2hms s ASN 143 N -3.94 6.42 0.00 2.29 0.01 -1.26 -4.86 114.94 113.60 2hms s ASN 143 Ca 0.57 -1.32 0.00 0.00 -0.71 0.00 0.00 52.86 51.40 2hms s ASN 143 Cb -0.13 -2.51 0.00 0.00 0.41 0.00 0.00 41.25 39.02 2hms s ASN 143 CO 0.55 -1.47 0.00 -1.22 -1.51 0.00 0.00 177.10 173.45