#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a6o n VAL 5 N 0.00 0.00 -3.82 0.00 3.14 -1.26 -3.93 118.33 112.46 2a6o n VAL 5 Ca 0.00 0.00 -0.36 0.00 -2.96 0.00 0.00 64.34 61.02 2a6o n VAL 5 Cb 0.00 0.00 -0.12 0.00 -1.06 0.00 0.00 33.84 32.66 2a6o n VAL 5 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 2a6o s LEU 6 N -4.47 4.65 0.62 6.55 1.98 -1.26 -4.43 118.68 122.31 2a6o s LEU 6 Ca 0.00 -1.64 0.07 0.00 -2.89 0.00 0.00 54.13 49.67 2a6o s LEU 6 Cb 0.00 -1.79 0.10 0.00 0.66 0.00 0.00 46.19 45.15 2a6o s LEU 6 CO 0.00 -0.41 0.85 -0.31 -1.89 0.00 0.00 176.35 174.59 2a6o s TYR 7 N 1.22 1.45 -0.00 5.38 1.51 0.11 -3.25 117.35 123.77 2a6o s TYR 7 Ca 0.02 -0.60 0.01 0.00 -1.01 0.00 0.00 57.07 55.49 2a6o s TYR 7 Cb -0.21 -2.44 -0.00 0.00 -0.11 0.00 0.00 41.96 39.19 2a6o s TYR 7 CO -0.02 -1.32 -0.04 0.21 -1.11 0.00 0.00 175.55 173.27 2a6o s LYS 8 N -4.81 0.29 1.11 -0.62 2.20 0.02 -0.69 119.74 117.25 2a6o s LYS 8 Ca 0.63 -0.13 -0.16 0.00 -0.36 0.00 0.00 55.97 55.96 2a6o s LYS 8 Cb -0.06 -0.29 0.24 0.00 -1.51 0.00 0.00 37.83 36.22 2a6o s LYS 8 CO 0.41 0.08 1.10 0.45 -0.36 0.00 0.00 175.35 177.02 2a6o s SER 9 N -0.07 1.67 0.53 1.43 0.15 0.11 -4.61 113.70 112.91 2a6o s SER 9 Ca 0.01 0.91 0.35 0.00 0.70 0.00 0.00 55.95 57.92 2a6o s SER 9 Cb -0.02 -1.38 1.68 0.00 -1.71 0.00 0.00 66.02 64.60 2a6o s SER 9 CO -0.00 -3.69 2.05 0.78 1.20 0.00 0.00 173.24 173.58 2a6o h ASN 10 N -2.28 0.00 0.00 5.45 2.35 -1.96 -3.41 115.58 115.73 2a6o h ASN 10 Ca -0.50 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.25 2a6o h ASN 10 Cb 1.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.69 2a6o h ASN 10 CO 0.46 0.00 0.00 1.41 -1.65 0.00 0.00 177.43 177.65 2a6o n HIS 11 N -2.87 0.00 -1.99 1.19 8.25 -1.26 -5.04 115.22 113.50 2a6o n HIS 11 Ca -0.01 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.26 2a6o n HIS 11 Cb 0.18 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.33 2a6o n HIS 11 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2a6o n ASN 12 N 0.00 4.41 -4.60 0.41 3.02 -1.26 -5.01 115.26 112.23 2a6o n ASN 12 Ca 0.00 -3.72 -0.38 0.00 -0.03 0.00 0.00 54.58 50.45 2a6o n ASN 12 Cb 0.00 -0.37 -0.11 0.00 -0.61 0.00 0.00 39.78 38.70 2a6o n ASN 12 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2a6o s VAL 13 N -4.38 5.30 -0.32 2.41 1.01 -1.26 -4.91 120.40 118.25 2a6o s VAL 13 Ca 0.49 0.22 -0.16 0.00 0.00 0.00 0.00 61.98 62.53 2a6o s VAL 13 Cb 0.40 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 2a6o s VAL 13 CO 0.02 0.25 0.40 -0.69 0.00 0.00 0.00 175.10 175.08 2a6o s VAL 14 N 1.73 5.13 0.16 2.92 1.01 -1.26 0.10 120.40 130.19 2a6o s VAL 14 Ca 0.08 0.30 -0.09 0.00 0.00 0.00 0.00 61.98 62.27 2a6o s VAL 14 Cb -0.16 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 2a6o s VAL 14 CO 0.10 -0.03 0.29 -0.72 0.00 0.00 0.00 175.10 174.74 2a6o s TYR 15 N 2.13 0.33 -0.29 5.22 -0.85 0.13 -4.99 117.35 119.04 2a6o s TYR 15 Ca 0.15 -0.70 0.02 0.00 -0.52 0.00 0.00 57.07 56.01 2a6o s TYR 15 Cb -0.16 -0.03 0.16 0.00 0.38 0.00 0.00 41.96 42.31 2a6o s TYR 15 CO 0.11 -0.71 0.43 0.45 -1.52 0.00 0.00 175.55 174.32 2a6o s SER 16 N -2.95 0.15 -0.33 -0.18 0.15 -1.26 0.10 113.70 109.37 2a6o s SER 16 Ca 0.15 -0.29 0.03 0.00 0.70 0.00 0.00 55.95 56.54 2a6o s SER 16 Cb 0.03 1.21 0.10 0.00 -1.71 0.00 0.00 66.02 65.66 2a6o s SER 16 CO -0.02 -0.35 0.06 0.00 1.20 0.00 0.00 173.24 174.14 2a6o s LYS 18 N 1.06 3.28 0.00 0.00 1.02 -1.26 -2.27 119.74 121.57 2a6o s LYS 18 Ca 0.11 -0.34 0.03 0.00 0.02 0.00 0.00 55.97 55.79 2a6o s LYS 18 Cb -0.19 -2.96 -0.01 0.00 -0.52 0.00 0.00 37.83 34.16 2a6o s LYS 18 CO -0.12 0.63 -0.09 0.71 -0.92 0.00 0.00 175.35 175.56 2a6o s TYR 19 N -0.66 0.82 -0.15 3.18 1.51 0.20 -1.75 117.35 120.49 2a6o s TYR 19 Ca 0.11 -0.20 -0.15 0.00 -1.01 0.00 0.00 57.07 55.82 2a6o s TYR 19 Cb -0.12 -0.51 -0.04 0.00 -0.11 0.00 0.00 41.96 41.17 2a6o s TYR 19 CO 0.02 -0.01 0.34 -1.01 -1.11 0.00 0.00 175.55 173.78 2a6o s HIS 20 N -0.39 3.47 -0.05 2.71 3.76 -0.13 -0.69 115.29 123.97 2a6o s HIS 20 Ca 0.02 0.66 0.02 0.00 -0.15 0.00 0.00 55.06 55.61 2a6o s HIS 20 Cb -0.04 -2.40 0.01 0.00 1.11 0.00 0.00 32.58 31.26 2a6o s HIS 20 CO -0.00 0.20 -0.09 0.42 -0.85 0.00 0.00 174.74 174.42 2a6o s ILE 21 N 0.56 0.85 -0.03 0.60 1.01 0.11 -2.05 121.20 122.25 2a6o s ILE 21 Ca 0.19 -0.34 -0.02 0.00 0.00 0.00 0.00 60.65 60.48 2a6o s ILE 21 Cb -0.14 -0.79 0.02 0.00 0.01 0.00 0.00 42.46 41.56 2a6o s ILE 21 CO 0.05 0.28 0.07 -0.69 0.00 0.00 0.00 174.94 174.66 2a6o s VAL 22 N 0.59 -0.02 0.05 2.92 1.01 -0.47 -0.27 120.40 124.21 2a6o s VAL 22 Ca -0.10 0.07 -0.08 0.00 0.00 0.00 0.00 61.98 61.87 2a6o s VAL 22 Cb -0.13 -0.12 -0.00 0.00 0.00 0.00 0.00 36.38 36.12 2a6o s VAL 22 CO 0.02 0.03 0.15 -1.66 0.00 0.00 0.00 175.10 173.64 2a6o s TRP 23 N 0.40 0.13 0.21 5.22 -2.14 -1.22 0.97 118.94 122.52 2a6o s TRP 23 Ca -0.03 -0.43 0.11 0.00 2.66 0.00 0.00 56.10 58.41 2a6o s TRP 23 Cb -0.04 -0.08 -0.05 0.00 -3.10 0.00 0.00 33.47 30.20 2a6o s TRP 23 CO -0.01 -0.43 -0.22 0.00 -2.66 0.00 0.00 176.95 173.63 2a6o s PRO 25 N -2.97 0.99 0.43 0.00 0.02 -1.25 -3.90 135.00 128.31 2a6o s PRO 25 Ca 0.23 1.21 -0.25 0.00 0.02 0.00 0.00 61.00 62.21 2a6o s PRO 25 Cb -0.06 -1.75 -0.10 0.00 0.02 0.00 0.00 34.50 32.61 2a6o s PRO 25 CO 0.11 -2.54 1.16 1.17 -0.33 0.00 0.00 177.00 176.56 2a6o n LYS 26 N -4.14 1.65 -1.09 5.54 3.00 0.41 -0.69 118.16 122.84 2a6o n LYS 26 Ca 0.09 0.59 -0.05 0.00 -0.00 0.00 0.00 58.31 58.94 2a6o n LYS 26 Cb 0.53 -2.24 -0.02 0.00 0.00 0.00 0.00 35.03 33.31 2a6o n LYS 26 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2a6o n TYR 27 N -0.38 -0.01 -2.61 5.64 0.53 -1.26 -1.70 117.16 117.35 2a6o n TYR 27 Ca 0.08 0.00 -0.20 0.00 -1.02 0.00 0.00 57.90 56.77 2a6o n TYR 27 Cb 0.40 -2.25 0.00 0.00 -1.03 0.00 0.00 39.34 36.46 2a6o n TYR 27 CO 0.00 0.00 0.00 -2.13 -1.02 0.00 0.00 176.86 173.71 2a6o n ARG 28 N 0.18 -2.66 -1.94 -0.72 0.63 0.14 -4.87 116.66 107.42 2a6o n ARG 28 Ca -0.05 0.87 -0.42 0.00 -0.92 0.00 0.00 57.85 57.33 2a6o n ARG 28 Cb 0.51 -5.57 -0.03 0.00 0.45 0.00 0.00 32.46 27.82 2a6o n ARG 28 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2a6o s ARG 29 N -5.26 4.22 -1.33 -0.14 6.06 -0.69 -4.79 118.95 117.02 2a6o s ARG 29 Ca 0.10 2.36 -0.16 0.00 -2.50 0.00 0.00 55.73 55.53 2a6o s ARG 29 Cb -0.04 -3.14 0.00 0.00 0.06 0.00 0.00 34.95 31.82 2a6o s ARG 29 CO 0.12 -0.59 2.17 1.63 -2.50 0.00 0.00 175.30 176.13 2a6o n LYS 30 N 3.71 2.60 0.00 5.12 5.02 -1.26 -4.47 118.16 128.87 2a6o n LYS 30 Ca 0.13 -2.46 0.06 0.00 -2.02 0.00 0.00 58.31 54.01 2a6o n LYS 30 Cb 0.39 -3.22 -0.07 0.00 -0.02 0.00 0.00 35.03 32.11 2a6o n LYS 30 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2a6o n VAL 31 N 5.29 0.00 -1.82 -0.18 0.24 -1.00 -4.76 118.33 116.10 2a6o n VAL 31 Ca 0.52 -0.21 -0.42 0.00 -2.04 0.00 0.00 64.34 62.18 2a6o n VAL 31 Cb 0.39 1.01 -0.00 0.00 -1.47 0.00 0.00 33.84 33.77 2a6o n VAL 31 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2a6o n LEU 32 N -1.22 6.62 -4.02 1.34 4.77 0.20 -4.56 117.00 120.14 2a6o n LEU 32 Ca 0.03 -4.10 -0.10 0.00 -0.03 0.00 0.00 56.01 51.81 2a6o n LEU 32 Cb 0.20 -1.66 -0.07 0.00 -2.33 0.00 0.00 43.42 39.56 2a6o n LEU 32 CO 0.25 0.99 0.01 0.68 -1.33 0.00 0.00 177.39 177.98 2a6o s VAL 33 N 3.34 0.03 0.00 4.08 -7.23 -1.26 -2.78 120.40 116.58 2a6o s VAL 33 Ca 0.48 -1.50 0.00 0.00 -1.81 0.00 0.00 61.98 59.15 2a6o s VAL 33 Cb 0.13 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 34.99 2a6o s VAL 33 CO -0.07 -0.14 0.00 0.61 -0.31 0.00 0.00 175.10 175.19 2a6o n GLY 34 N -0.28 1.97 0.33 2.32 0.00 -1.26 -2.48 105.19 105.79 2a6o n GLY 34 Ca -0.04 -0.27 -0.06 0.00 0.00 0.00 0.00 46.02 45.66 2a6o n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a6o h ALA 35 N -0.33 -0.05 -0.86 4.61 0.00 -2.00 -1.85 119.26 118.78 2a6o h ALA 35 Ca 0.00 0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.18 2a6o h ALA 35 Cb 0.00 0.72 -0.08 0.00 0.00 0.00 0.00 17.79 18.42 2a6o h ALA 35 CO 0.00 -0.67 0.48 0.28 0.00 0.00 0.00 179.25 179.34 2a6o h VAL 36 N -0.18 0.82 -0.24 0.00 2.07 -1.81 -0.99 116.25 115.92 2a6o h VAL 36 Ca 0.21 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 2a6o h VAL 36 Cb 0.53 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 2a6o h VAL 36 CO -0.62 0.13 0.10 -0.08 0.02 0.00 0.00 177.57 177.13 2a6o h GLU 37 N 0.73 0.36 0.25 1.57 4.81 -1.03 0.14 114.58 121.41 2a6o h GLU 37 Ca 0.44 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.60 2a6o h GLU 37 Cb 0.52 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 2a6o h GLU 37 CO -0.30 0.39 -0.13 0.52 -0.73 0.00 0.00 179.01 178.75 2a6o h MET 38 N 0.25 -0.34 -0.35 1.92 2.86 -0.92 -0.99 114.93 117.36 2a6o h MET 38 Ca 0.08 0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.71 2a6o h MET 38 Cb 0.16 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 2a6o h MET 38 CO -0.01 -0.23 0.08 0.00 1.06 0.00 0.00 176.91 177.81 2a6o h ARG 39 N -0.35 0.50 0.05 1.72 2.47 -1.16 -1.11 114.38 116.51 2a6o h ARG 39 Ca -0.03 -0.08 -0.00 0.00 -1.26 0.00 0.00 59.98 58.61 2a6o h ARG 39 Cb 0.28 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.51 2a6o h ARG 39 CO 0.04 0.47 -0.02 1.25 0.56 0.00 0.00 179.97 182.27 2a6o h LEU 40 N 0.50 -0.06 -0.83 3.04 5.85 -0.21 -0.55 115.31 123.05 2a6o h LEU 40 Ca 0.12 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 2a6o h LEU 40 Cb 0.20 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 2a6o h LEU 40 CO -0.00 0.05 0.44 0.11 -0.34 0.00 0.00 178.44 178.70 2a6o h LYS 41 N -0.16 1.16 -0.11 1.25 1.57 -0.79 -1.45 116.57 118.03 2a6o h LYS 41 Ca -0.01 -0.14 0.02 0.00 -1.87 0.00 0.00 60.65 58.65 2a6o h LYS 41 Cb 0.14 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 2a6o h LYS 41 CO 0.01 0.86 0.01 0.93 -0.57 0.00 0.00 179.45 180.69 2a6o h GLU 42 N 1.15 0.04 -0.47 3.15 5.08 -0.98 -0.67 114.58 121.89 2a6o h GLU 42 Ca 0.29 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.68 2a6o h GLU 42 Cb 0.04 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 2a6o h GLU 42 CO -0.05 0.03 0.26 0.82 -1.00 0.00 0.00 179.01 179.07 2a6o h ILE 43 N 0.05 1.01 -0.10 3.13 2.04 -0.78 -1.29 117.51 121.58 2a6o h ILE 43 Ca 0.05 -0.18 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 2a6o h ILE 43 Cb 0.05 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 2a6o h ILE 43 CO -0.08 0.09 -0.12 0.40 0.00 0.00 0.00 178.15 178.44 2a6o h ILE 44 N 0.52 1.15 -0.59 -0.67 1.08 -1.00 -1.47 117.51 116.53 2a6o h ILE 44 Ca 0.19 -0.65 -0.11 0.00 -0.39 0.00 0.00 64.86 63.90 2a6o h ILE 44 Cb 0.06 1.22 -0.02 0.00 -3.07 0.00 0.00 36.82 35.00 2a6o h ILE 44 CO -0.11 0.20 -0.05 1.56 -0.69 0.00 0.00 178.15 179.06 2a6o h GLN 45 N 0.14 1.07 -0.38 2.37 1.08 -0.00 -1.30 115.11 118.09 2a6o h GLN 45 Ca 0.03 -0.36 -0.12 0.00 -1.45 0.00 0.00 58.65 56.74 2a6o h GLN 45 Cb 0.31 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 2a6o h GLN 45 CO 0.02 1.07 -0.23 0.93 -0.95 0.00 0.00 178.83 179.66 2a6o h GLU 46 N 0.96 0.83 -0.43 1.46 5.08 -0.74 -2.60 114.58 119.15 2a6o h GLU 46 Ca 0.16 -0.39 -0.09 0.00 -1.00 0.00 0.00 59.36 58.05 2a6o h GLU 46 Cb 0.62 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 2a6o h GLU 46 CO 0.04 1.02 -0.08 0.28 -1.00 0.00 0.00 179.01 179.27 2a6o h VAL 47 N 0.64 1.25 -0.40 3.13 2.07 -1.16 -1.12 116.25 120.66 2a6o h VAL 47 Ca 0.08 -1.11 -0.03 0.00 0.82 0.00 0.00 66.70 66.45 2a6o h VAL 47 Cb 0.80 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 2a6o h VAL 47 CO 0.07 0.38 0.13 0.00 0.02 0.00 0.00 177.57 178.16 2a6o h ALA 48 N 1.22 0.52 -0.41 1.67 0.00 -1.15 -0.22 119.26 120.89 2a6o h ALA 48 Ca 0.12 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 2a6o h ALA 48 Cb 0.55 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2a6o h ALA 48 CO 0.03 0.16 -0.30 -0.22 0.00 0.00 0.00 179.25 178.93 2a6o h LYS 49 N 0.49 0.89 -0.53 0.00 3.64 -1.35 1.42 116.57 121.13 2a6o h LYS 49 Ca 0.13 -0.41 -0.08 0.00 -1.27 0.00 0.00 60.65 59.01 2a6o h LYS 49 Cb 0.25 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 2a6o h LYS 49 CO -0.00 1.06 0.01 1.49 -2.27 0.00 0.00 179.45 179.74 2a6o h GLU 50 N 0.75 0.89 -0.60 1.90 4.81 -1.03 -2.73 114.58 118.58 2a6o h GLU 50 Ca 0.08 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 2a6o h GLU 50 Cb 0.86 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.14 2a6o h GLU 50 CO 0.08 0.88 0.00 1.28 -0.73 0.00 0.00 179.01 180.52 2a6o n LEU 51 N -4.20 3.44 -2.26 1.64 4.32 -0.11 -4.92 117.00 114.91 2a6o n LEU 51 Ca 0.03 -1.73 -0.18 0.00 -0.02 0.00 0.00 56.01 54.11 2a6o n LEU 51 Cb 0.31 -0.46 -0.02 0.00 -1.62 0.00 0.00 43.42 41.63 2a6o n LEU 51 CO 0.42 0.65 -0.22 0.54 -1.22 0.00 0.00 177.39 177.56 2a6o n ARG 52 N 0.85 -1.81 -3.40 3.23 1.74 -0.06 -4.95 116.66 112.26 2a6o n ARG 52 Ca 0.19 0.89 -0.38 0.00 -0.77 0.00 0.00 57.85 57.77 2a6o n ARG 52 Cb 0.63 -5.47 -0.06 0.00 -1.02 0.00 0.00 32.46 26.53 2a6o n ARG 52 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2a6o s VAL 53 N -2.81 5.09 -0.36 1.55 1.01 0.47 -4.72 120.40 120.63 2a6o s VAL 53 Ca 0.00 0.90 -0.20 0.00 0.00 0.00 0.00 61.98 62.68 2a6o s VAL 53 Cb 0.00 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.62 2a6o s VAL 53 CO 0.00 0.45 0.62 -0.70 0.00 0.00 0.00 175.10 175.48 2a6o s GLU 54 N -0.23 3.64 -0.63 2.72 2.56 -0.37 -4.18 118.70 122.20 2a6o s GLU 54 Ca 0.25 -0.01 -0.22 0.00 0.00 0.00 0.00 54.97 54.99 2a6o s GLU 54 Cb -0.16 -3.82 0.07 0.00 2.00 0.00 0.00 34.13 32.22 2a6o s GLU 54 CO 0.12 -0.75 0.90 0.42 -0.56 0.00 0.00 175.26 175.39 2a6o s ILE 55 N 2.68 4.43 0.06 -3.70 1.01 -1.26 -0.58 121.20 123.84 2a6o s ILE 55 Ca 0.24 -0.43 -0.18 0.00 0.00 0.00 0.00 60.65 60.27 2a6o s ILE 55 Cb -0.15 -4.63 -0.13 0.00 0.01 0.00 0.00 42.46 37.57 2a6o s ILE 55 CO 0.15 -1.35 1.36 0.40 0.00 0.00 0.00 174.94 175.49 2a6o h ILE 56 N 5.96 1.33 -3.13 2.92 2.04 -0.79 -3.46 117.51 122.38 2a6o h ILE 56 Ca -0.29 -1.43 -0.13 0.00 1.00 0.00 0.00 64.86 64.02 2a6o h ILE 56 Cb 1.07 1.81 -0.21 0.00 -0.74 0.00 0.00 36.82 38.76 2a6o h ILE 56 CO 1.15 0.43 -0.33 -1.61 0.00 0.00 0.00 178.15 177.80 2a6o s GLU 57 N -4.24 0.60 -0.20 2.37 2.02 -0.86 -4.99 118.70 113.40 2a6o s GLU 57 Ca -0.13 -0.17 -0.18 0.00 0.02 0.00 0.00 54.97 54.51 2a6o s GLU 57 Cb 0.06 0.26 0.05 0.00 0.10 0.00 0.00 34.13 34.61 2a6o s GLU 57 CO 0.79 -0.15 0.53 1.41 0.02 0.00 0.00 175.26 177.85 2a6o s MET 58 N -1.18 0.60 -0.22 1.61 1.75 -1.26 0.54 119.30 121.15 2a6o s MET 58 Ca -0.12 0.76 -0.27 0.00 -1.25 0.00 0.00 55.69 54.80 2a6o s MET 58 Cb -0.05 0.27 0.10 0.00 2.84 0.00 0.00 34.83 37.98 2a6o s MET 58 CO 0.03 -0.08 0.85 1.14 -0.65 0.00 0.00 175.02 176.31 2a6o s GLN 59 N 0.40 0.74 0.48 4.11 -2.07 -0.13 -5.00 119.66 118.19 2a6o s GLN 59 Ca -0.01 0.61 0.06 0.00 -1.82 0.00 0.00 55.36 54.20 2a6o s GLN 59 Cb -0.04 0.36 0.00 0.00 -1.09 0.00 0.00 33.01 32.24 2a6o s GLN 59 CO -0.01 -0.14 0.34 0.95 -1.32 0.00 0.00 175.29 175.11 2a6o s THR 60 N -0.18 2.06 -0.45 3.63 -4.23 -1.26 0.55 115.64 115.76 2a6o s THR 60 Ca -0.01 -1.51 0.03 0.00 -1.18 0.00 0.00 61.69 59.02 2a6o s THR 60 Cb -0.03 -2.57 0.24 0.00 1.34 0.00 0.00 72.50 71.48 2a6o s THR 60 CO 0.00 0.00 0.97 -0.67 -0.54 0.00 0.00 174.62 174.38 2a6o n ASP 61 N -1.58 -2.51 0.00 3.99 2.03 -0.48 -4.92 116.55 113.08 2a6o n ASP 61 Ca -0.00 -2.77 0.00 0.00 0.52 0.00 0.00 54.79 52.53 2a6o n ASP 61 Cb 0.64 1.50 0.00 0.00 -0.72 0.00 0.00 41.12 42.54 2a6o n ASP 61 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2a6o n LYS 62 N 1.83 0.00 -0.55 -0.67 5.02 -1.12 -3.84 118.16 118.82 2a6o n LYS 62 Ca 0.08 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.42 2a6o n LYS 62 Cb 0.64 0.00 0.24 0.00 -0.02 0.00 0.00 35.03 35.89 2a6o n LYS 62 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2a6o n ASP 63 N 1.38 3.46 -3.63 4.39 3.85 -1.26 -0.63 116.55 124.11 2a6o n ASP 63 Ca 0.00 -3.24 -0.04 0.00 -0.71 0.00 0.00 54.79 50.80 2a6o n ASP 63 Cb 0.00 -0.57 -0.04 0.00 -1.35 0.00 0.00 41.12 39.16 2a6o n ASP 63 CO 0.00 0.00 0.00 -1.38 -1.01 0.00 0.00 177.20 174.81 2a6o s HIS 64 N -2.96 -0.09 -0.07 2.11 -3.43 -1.25 -3.87 115.29 105.72 2a6o s HIS 64 Ca 0.43 0.14 0.02 0.00 -0.80 0.00 0.00 55.06 54.85 2a6o s HIS 64 Cb 0.36 0.49 -0.03 0.00 -1.43 0.00 0.00 32.58 31.98 2a6o s HIS 64 CO 0.06 -0.10 -0.11 -1.50 -2.00 0.00 0.00 174.74 171.09 2a6o s ILE 65 N -1.35 3.31 -0.15 -5.38 2.07 -1.05 -1.38 121.20 117.27 2a6o s ILE 65 Ca 0.08 -0.62 0.02 0.00 -1.41 0.00 0.00 60.65 58.72 2a6o s ILE 65 Cb -0.01 -2.34 0.01 0.00 0.13 0.00 0.00 42.46 40.25 2a6o s ILE 65 CO -0.05 0.58 -0.20 -2.28 -1.91 0.00 0.00 174.94 171.07 2a6o s HIS 66 N -0.54 2.72 -0.02 3.50 5.65 0.19 -3.42 115.29 123.37 2a6o s HIS 66 Ca 0.08 -1.38 0.07 0.00 0.25 0.00 0.00 55.06 54.07 2a6o s HIS 66 Cb -0.12 -1.86 -0.02 0.00 -1.18 0.00 0.00 32.58 29.41 2a6o s HIS 66 CO 0.02 -0.65 -0.22 0.42 -0.65 0.00 0.00 174.74 173.66 2a6o s ILE 67 N 0.95 1.76 -0.35 0.89 1.01 0.62 -0.95 121.20 125.13 2a6o s ILE 67 Ca -0.03 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.70 2a6o s ILE 67 Cb -0.15 -1.47 0.10 0.00 0.01 0.00 0.00 42.46 40.95 2a6o s ILE 67 CO -0.05 0.50 0.08 -0.22 0.00 0.00 0.00 174.94 175.25 2a6o s LEU 68 N -0.43 4.85 0.22 2.97 2.96 0.19 0.06 118.68 129.50 2a6o s LEU 68 Ca 0.06 -2.15 0.10 0.00 -0.22 0.00 0.00 54.13 51.92 2a6o s LEU 68 Cb -0.09 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 2a6o s LEU 68 CO -0.00 -0.41 -0.11 0.00 -1.32 0.00 0.00 176.35 174.52 2a6o s ALA 69 N 0.93 2.92 -0.18 5.97 0.00 0.13 -0.02 121.76 131.51 2a6o s ALA 69 Ca 0.11 -1.62 0.01 0.00 0.00 0.00 0.00 51.96 50.46 2a6o s ALA 69 Cb -0.20 -0.61 0.02 0.00 0.00 0.00 0.00 23.12 22.34 2a6o s ALA 69 CO -0.07 0.37 -0.19 0.34 0.00 0.00 0.00 175.76 176.21 2a6o s ASP 70 N -3.16 3.11 -0.02 0.00 2.15 0.25 0.60 116.67 119.60 2a6o s ASP 70 Ca 0.27 -0.65 0.05 0.00 0.43 0.00 0.00 52.55 52.65 2a6o s ASP 70 Cb -0.07 -1.44 -0.01 0.00 -0.30 0.00 0.00 42.92 41.10 2a6o s ASP 70 CO 0.16 -0.02 -0.18 -0.63 -0.17 0.00 0.00 175.17 174.33 2a6o s ILE 71 N 1.31 1.45 -0.07 4.11 1.01 -0.96 -1.23 121.20 126.82 2a6o s ILE 71 Ca 0.04 -0.78 -0.32 0.00 0.00 0.00 0.00 60.65 59.60 2a6o s ILE 71 Cb -0.13 -1.21 -0.10 0.00 0.01 0.00 0.00 42.46 41.03 2a6o s ILE 71 CO -0.12 0.41 1.96 -0.67 0.00 0.00 0.00 174.94 176.52 2a6o n ASP 72 N 2.70 3.64 -0.12 3.58 -0.08 -1.26 -4.59 116.55 120.41 2a6o n ASP 72 Ca -0.15 0.86 0.27 0.00 -1.51 0.00 0.00 54.79 54.26 2a6o n ASP 72 Cb 0.54 -1.44 0.71 0.00 2.34 0.00 0.00 41.12 43.27 2a6o n ASP 72 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2a6o h PRO 73 N 10.34 0.00 -0.00 -0.67 0.13 -1.98 0.53 132.00 140.35 2a6o h PRO 73 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2a6o h PRO 73 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2a6o h PRO 73 CO 0.95 0.00 -0.05 0.43 -0.23 0.00 0.00 178.00 179.10 2a6o n SER 74 N -3.95 0.21 -0.06 1.44 7.64 -1.26 -3.92 113.62 113.72 2a6o n SER 74 Ca 0.17 -0.39 -0.22 0.00 1.01 0.00 0.00 58.87 59.44 2a6o n SER 74 Cb 0.97 -0.17 -0.13 0.00 -1.01 0.00 0.00 64.21 63.87 2a6o n SER 74 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2a6o n PHE 75 N -1.12 0.88 -0.04 1.43 7.35 0.18 -5.10 117.46 121.04 2a6o n PHE 75 Ca 0.15 0.25 0.00 0.00 -0.76 0.00 0.00 57.45 57.09 2a6o n PHE 75 Cb 0.25 -1.11 0.00 0.00 0.35 0.00 0.00 39.48 38.97 2a6o n PHE 75 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2a6o n GLY 76 N 1.80 0.74 0.30 7.13 0.00 -1.21 -4.72 105.19 109.23 2a6o n GLY 76 Ca -0.37 -1.04 0.06 0.00 0.00 0.00 0.00 46.02 44.67 2a6o n GLY 76 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2a6o h VAL 77 N 0.00 0.23 0.00 1.61 2.07 -1.91 -0.47 116.25 117.78 2a6o h VAL 77 Ca 0.00 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2a6o h VAL 77 Cb 0.00 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 2a6o h VAL 77 CO 0.00 0.01 0.00 0.24 0.02 0.00 0.00 177.57 177.84 2a6o h MET 78 N 0.05 0.00 0.00 1.57 2.86 -1.99 -1.75 114.93 115.67 2a6o h MET 78 Ca 0.44 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.91 2a6o h MET 78 Cb 0.76 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.40 2a6o h MET 78 CO -0.77 0.00 -0.81 0.87 1.06 0.00 0.00 176.91 177.25 2a6o h LYS 79 N 0.00 0.00 0.09 1.72 1.57 -1.36 0.14 116.57 118.73 2a6o h LYS 79 Ca 0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 2a6o h LYS 79 Cb 0.14 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.47 2a6o h LYS 79 CO 0.00 0.81 -1.02 0.35 -0.57 0.00 0.00 179.45 179.02 2a6o h PHE 80 N 0.00 0.85 -0.35 -1.35 3.57 -1.40 -2.99 116.94 115.28 2a6o h PHE 80 Ca -0.01 -0.53 -0.08 0.00 3.53 0.00 0.00 57.97 60.88 2a6o h PHE 80 Cb 1.56 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 40.22 2a6o h PHE 80 CO 0.00 1.38 -0.10 0.82 -2.23 0.00 0.00 178.31 178.18 2a6o h ILE 81 N 0.08 1.28 -0.16 1.41 2.04 -1.44 0.12 117.51 120.84 2a6o h ILE 81 Ca -0.15 -1.17 0.04 0.00 1.00 0.00 0.00 64.86 64.57 2a6o h ILE 81 Cb 1.73 1.32 -0.04 0.00 -0.74 0.00 0.00 36.82 39.08 2a6o h ILE 81 CO 0.20 0.38 -0.12 0.50 0.00 0.00 0.00 178.15 179.11 2a6o h LYS 82 N 0.47 -0.12 -0.34 2.37 3.11 -0.81 0.23 116.57 121.49 2a6o h LYS 82 Ca 0.09 0.01 -0.12 0.00 -2.81 0.00 0.00 60.65 57.82 2a6o h LYS 82 Cb 0.61 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.86 2a6o h LYS 82 CO 0.04 -0.08 -0.24 1.15 -2.81 0.00 0.00 179.45 177.51 2a6o h THR 83 N -0.12 1.29 0.58 1.00 2.02 -1.47 0.39 112.91 116.60 2a6o h THR 83 Ca 0.10 -1.39 -0.03 0.00 0.77 0.00 0.00 66.41 65.86 2a6o h THR 83 Cb 0.27 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 2a6o h THR 83 CO -0.24 0.46 -0.29 0.00 0.37 0.00 0.00 175.52 175.82 2a6o h ALA 84 N 0.76 -0.80 -0.19 6.16 0.00 -0.38 0.12 119.26 124.94 2a6o h ALA 84 Ca 0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2a6o h ALA 84 Cb 0.81 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2a6o h ALA 84 CO 0.07 -0.95 0.04 0.87 0.00 0.00 0.00 179.25 179.28 2a6o h LYS 85 N -0.80 0.30 0.03 0.00 1.57 -0.59 -2.19 116.57 114.89 2a6o h LYS 85 Ca -0.08 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 58.65 2a6o h LYS 85 Cb 0.62 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.85 2a6o h LYS 85 CO 0.12 0.44 -0.24 0.78 -0.57 0.00 0.00 179.45 179.99 2a6o h GLY 86 N 0.11 -0.37 0.55 3.86 0.00 -0.12 -1.79 103.07 105.32 2a6o h GLY 86 Ca 0.06 0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.67 2a6o h GLY 86 CO 0.00 -0.20 -0.01 -0.09 0.00 0.00 0.00 176.54 176.24 2a6o h ARG 87 N -0.39 0.02 -0.92 4.80 2.43 -0.81 -2.71 114.38 116.81 2a6o h ARG 87 Ca 0.05 -0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.35 2a6o h ARG 87 Cb 0.45 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 29.91 2a6o h ARG 87 CO -0.19 0.48 0.54 0.66 -1.51 0.00 0.00 179.97 179.95 2a6o h SER 88 N -0.44 0.73 -0.18 -3.80 4.64 -1.40 0.19 113.55 113.29 2a6o h SER 88 Ca 0.00 0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2a6o h SER 88 Cb 0.48 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 2a6o h SER 88 CO 0.00 0.35 0.10 -1.28 -0.87 0.00 0.00 176.83 175.13 2a6o h SER 89 N 0.80 0.22 -0.19 4.97 0.87 -1.31 0.29 113.55 119.20 2a6o h SER 89 Ca 0.48 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.98 2a6o h SER 89 Cb 0.60 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 2a6o h SER 89 CO -0.31 0.22 0.10 -0.09 -0.53 0.00 0.00 176.83 176.21 2a6o h ARG 90 N 0.20 0.27 0.51 2.24 1.12 -0.87 -1.67 114.38 116.18 2a6o h ARG 90 Ca 0.06 -0.03 -0.03 0.00 -1.11 0.00 0.00 59.98 58.87 2a6o h ARG 90 Cb 0.04 -0.05 0.01 0.00 -0.01 0.00 0.00 29.97 29.96 2a6o h ARG 90 CO -0.01 0.27 -0.25 0.82 -3.11 0.00 0.00 179.97 177.69 2a6o h ILE 91 N 0.19 0.21 -0.69 1.20 2.04 -0.91 -2.55 117.51 117.00 2a6o h ILE 91 Ca 0.07 -0.49 0.14 0.00 1.00 0.00 0.00 64.86 65.58 2a6o h ILE 91 Cb 0.09 0.32 -0.10 0.00 -0.74 0.00 0.00 36.82 36.39 2a6o h ILE 91 CO -0.01 0.04 0.19 -0.07 0.00 0.00 0.00 178.15 178.30 2a6o h LEU 92 N -1.09 0.09 -1.24 1.44 3.38 -0.49 0.65 115.31 118.04 2a6o h LEU 92 Ca -0.07 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2a6o h LEU 92 Cb 0.59 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2a6o h LEU 92 CO 0.12 0.02 0.00 0.03 0.09 0.00 0.00 178.44 178.70 2a6o h ARG 93 N 0.32 0.00 0.08 1.13 3.08 -1.37 0.17 114.38 117.79 2a6o h ARG 93 Ca 0.38 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 60.13 2a6o h ARG 93 Cb 0.59 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 2a6o h ARG 93 CO -0.44 0.00 -1.54 0.37 -1.07 0.00 0.00 179.97 177.29 2a6o h GLN 94 N 0.00 0.17 0.00 0.04 4.15 0.54 -3.36 115.11 116.64 2a6o h GLN 94 Ca 0.00 -0.28 -0.16 0.00 0.77 0.00 0.00 58.65 58.98 2a6o h GLN 94 Cb 0.40 0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.17 2a6o h GLN 94 CO 0.00 0.97 -1.12 0.93 -1.93 0.00 0.00 178.83 177.68 2a6o h GLU 95 N 0.05 0.00 -3.99 1.69 5.08 0.20 -3.44 114.58 114.17 2a6o h GLU 95 Ca -0.24 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.59 2a6o h GLU 95 Cb 1.99 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 30.85 2a6o h GLU 95 CO 0.13 0.41 -0.78 -0.06 -1.00 0.00 0.00 179.01 177.71 2a6o s PHE 96 N -2.90 1.46 0.28 4.33 0.40 0.54 -5.03 117.98 117.05 2a6o s PHE 96 Ca -0.01 -0.94 0.13 0.00 -0.60 0.00 0.00 56.93 55.52 2a6o s PHE 96 Cb 0.08 -1.20 0.56 0.00 0.51 0.00 0.00 43.02 42.97 2a6o s PHE 96 CO 0.79 -0.58 1.71 -0.91 0.70 0.00 0.00 175.22 176.93 2a6o h ASN 97 N 8.16 0.00 0.22 1.36 4.21 -1.84 -2.75 115.58 124.95 2a6o h ASN 97 Ca -0.22 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.29 2a6o h ASN 97 Cb 1.11 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.31 2a6o h ASN 97 CO 0.37 0.48 0.00 1.12 -1.29 0.00 0.00 177.43 178.12 2a6o h HIS 98 N 0.00 0.00 0.00 1.19 2.07 -1.95 0.33 115.15 116.78 2a6o h HIS 98 Ca -0.00 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.42 2a6o h HIS 98 Cb 0.91 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.88 2a6o h HIS 98 CO 0.00 0.00 -0.97 -0.07 -3.07 0.00 0.00 177.93 173.82 2a6o h LEU 99 N 0.00 0.00 0.11 6.12 3.38 -1.82 -3.12 115.31 119.98 2a6o h LEU 99 Ca 0.00 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.60 2a6o h LEU 99 Cb 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2a6o h LEU 99 CO 0.00 0.38 -2.04 1.17 0.09 0.00 0.00 178.44 178.03 2a6o n LYS 100 N -2.94 0.75 0.07 1.13 4.81 0.86 -3.72 118.16 119.12 2a6o n LYS 100 Ca -0.03 0.25 -0.13 0.00 -0.87 0.00 0.00 58.31 57.53 2a6o n LYS 100 Cb 0.72 -1.69 -0.13 0.00 0.02 0.00 0.00 35.03 33.95 2a6o n LYS 100 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 2a6o h THR 101 N 0.06 1.41 0.00 3.15 1.35 -0.90 -3.36 112.91 114.62 2a6o h THR 101 Ca -0.44 -3.07 0.00 0.00 -0.55 0.00 0.00 66.41 62.35 2a6o h THR 101 Cb 2.02 2.81 0.00 0.00 -1.73 0.00 0.00 68.15 71.25 2a6o h THR 101 CO 0.07 0.86 -0.66 0.29 -0.25 0.00 0.00 175.52 175.83 2a6o n LYS 102 N -3.40 0.21 -4.39 4.72 5.02 -1.18 -4.90 118.16 114.24 2a6o n LYS 102 Ca -0.09 0.05 -0.19 0.00 -2.02 0.00 0.00 58.31 56.06 2a6o n LYS 102 Cb 1.01 -1.62 -0.14 0.00 -0.02 0.00 0.00 35.03 34.25 2a6o n LYS 102 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2a6o s LEU 103 N -3.85 2.07 0.41 -0.35 1.43 -1.24 -5.03 118.68 112.12 2a6o s LEU 103 Ca 0.07 -0.28 0.19 0.00 -1.03 0.00 0.00 54.13 53.09 2a6o s LEU 103 Cb 0.15 -0.52 0.86 0.00 0.03 0.00 0.00 46.19 46.70 2a6o s LEU 103 CO 0.73 0.08 1.83 1.55 0.23 0.00 0.00 176.35 180.77 2a6o h PRO 104 N 5.55 0.00 -3.69 1.29 0.13 -1.86 -3.42 132.00 129.99 2a6o h PRO 104 Ca -0.33 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.73 2a6o h PRO 104 Cb 1.18 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.21 2a6o h PRO 104 CO 0.47 0.32 -0.14 0.95 -0.23 0.00 0.00 178.00 179.37 2a6o s THR 105 N -3.86 0.00 -0.12 1.56 -4.23 -1.26 -5.08 115.64 102.65 2a6o s THR 105 Ca -0.01 -1.43 -0.15 0.00 -1.18 0.00 0.00 61.69 58.92 2a6o s THR 105 Cb 0.12 -2.20 -0.26 0.00 1.34 0.00 0.00 72.50 71.50 2a6o s THR 105 CO 0.67 -0.01 0.48 0.25 -0.54 0.00 0.00 174.62 175.48 2a6o h LEU 106 N 2.28 0.34 0.00 4.79 6.46 -1.88 -3.42 115.31 123.87 2a6o h LEU 106 Ca -0.27 -0.83 -0.14 0.00 -0.12 0.00 0.00 57.88 56.52 2a6o h LEU 106 Cb 1.25 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 41.06 2a6o h LEU 106 CO 0.36 1.64 -0.06 0.79 -0.62 0.00 0.00 178.44 180.55 2a6o n TRP 107 N -3.91 -1.44 -4.57 1.25 5.03 -1.26 -0.45 117.44 112.08 2a6o n TRP 107 Ca -0.27 -0.57 -0.29 0.00 3.03 0.00 0.00 57.50 59.39 2a6o n TRP 107 Cb 0.90 -0.11 -0.05 0.00 -1.03 0.00 0.00 31.31 31.01 2a6o n TRP 107 CO 0.00 0.00 0.00 0.25 -0.03 0.00 0.00 177.69 177.91 2a6o n THR 108 N -0.88 0.00 0.20 -0.99 -2.24 -1.25 -4.28 114.28 104.84 2a6o n THR 108 Ca -0.00 -2.19 0.05 0.00 -2.27 0.00 0.00 64.05 59.64 2a6o n THR 108 Cb 0.16 0.37 0.22 0.00 -2.10 0.00 0.00 70.33 68.97 2a6o n THR 108 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2a6o n ASN 109 N -1.37 3.16 -4.71 3.42 2.04 -1.26 -4.89 115.26 111.64 2a6o n ASN 109 Ca -0.17 -2.31 -0.23 0.00 -0.44 0.00 0.00 54.58 51.44 2a6o n ASN 109 Cb 0.59 -0.47 -0.06 0.00 -2.53 0.00 0.00 39.78 37.31 2a6o n ASN 109 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 2a6o s SER 110 N -0.70 4.73 -0.10 0.53 0.15 -1.26 -5.13 113.70 111.92 2a6o s SER 110 Ca 0.31 -0.67 -0.31 0.00 0.70 0.00 0.00 55.95 55.97 2a6o s SER 110 Cb 0.20 -0.84 0.12 0.00 -1.71 0.00 0.00 66.02 63.80 2a6o s SER 110 CO 0.14 -0.17 1.04 0.00 1.20 0.00 0.00 173.24 175.45 2a6o s PHE 112 N -2.56 2.64 -0.04 0.00 5.36 0.27 -4.98 117.98 118.67 2a6o s PHE 112 Ca 0.06 -0.53 0.00 0.00 -0.96 0.00 0.00 56.93 55.50 2a6o s PHE 112 Cb -0.01 -1.69 0.03 0.00 -0.34 0.00 0.00 43.02 41.01 2a6o s PHE 112 CO -0.06 -0.09 -0.01 0.42 -1.46 0.00 0.00 175.22 174.02 2a6o s ILE 113 N -0.16 0.30 -0.01 3.12 1.01 -1.26 -1.36 121.20 122.83 2a6o s ILE 113 Ca -0.02 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.70 2a6o s ILE 113 Cb -0.14 -0.40 0.02 0.00 0.01 0.00 0.00 42.46 41.95 2a6o s ILE 113 CO 0.03 0.20 0.01 -0.94 0.00 0.00 0.00 174.94 174.24 2a6o s SER 114 N 1.29 0.17 0.38 3.58 1.04 -0.87 -4.98 113.70 114.31 2a6o s SER 114 Ca -0.06 0.00 -0.24 0.00 0.48 0.00 0.00 55.95 56.13 2a6o s SER 114 Cb -0.13 -0.08 -0.09 0.00 0.10 0.00 0.00 66.02 65.81 2a6o s SER 114 CO -0.02 -0.07 1.03 0.42 0.98 0.00 0.00 173.24 175.58 2a6o s THR 115 N 0.64 3.83 0.02 2.02 -4.23 -1.26 -0.95 115.64 115.71 2a6o s THR 115 Ca -0.06 1.42 0.02 0.00 -1.18 0.00 0.00 61.69 61.89 2a6o s THR 115 Cb -0.08 -3.74 -0.02 0.00 1.34 0.00 0.00 72.50 70.00 2a6o s THR 115 CO -0.02 0.03 -0.07 0.54 -0.54 0.00 0.00 174.62 174.56 2a6o s VAL 116 N -1.66 0.50 0.00 2.29 0.11 -0.72 -4.90 120.40 116.02 2a6o s VAL 116 Ca 0.56 -0.74 0.00 0.00 -2.93 0.00 0.00 61.98 58.87 2a6o s VAL 116 Cb -0.21 -0.51 0.00 0.00 -1.53 0.00 0.00 36.38 34.13 2a6o s VAL 116 CO 0.27 -0.18 0.00 0.61 -3.33 0.00 0.00 175.10 172.47 2a6o n GLY 117 N 2.06 4.50 1.69 6.54 0.00 -1.26 -4.21 105.19 114.51 2a6o n GLY 117 Ca -0.19 -1.27 -0.09 0.00 0.00 0.00 0.00 46.02 44.48 2a6o n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a6o n GLY 118 N -1.92 1.54 3.74 -0.02 0.00 -1.26 -5.05 105.19 102.23 2a6o n GLY 118 Ca 0.00 -2.11 -0.41 0.00 0.00 0.00 0.00 46.02 43.50 2a6o n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a6o n ALA 119 N -2.79 1.80 0.04 4.61 0.00 -1.26 -4.95 120.51 117.95 2a6o n ALA 119 Ca -0.06 0.29 -0.19 0.00 0.00 0.00 0.00 53.44 53.48 2a6o n ALA 119 Cb 0.26 -2.34 -0.09 0.00 0.00 0.00 0.00 19.45 17.28 2a6o n ALA 119 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2a6o h PRO 120 N 2.44 0.66 0.00 0.00 0.13 -2.00 -3.47 132.00 129.77 2a6o h PRO 120 Ca -0.49 -0.69 0.00 0.00 -0.87 0.00 0.00 66.00 63.95 2a6o h PRO 120 Cb 1.27 0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.59 2a6o h PRO 120 CO 0.62 1.28 0.00 1.28 -0.23 0.00 0.00 178.00 180.95 2a6o n LEU 121 N -3.84 0.00 0.09 1.56 4.77 -1.26 -0.27 117.00 118.04 2a6o n LEU 121 Ca -0.10 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.87 2a6o n LEU 121 Cb 0.86 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 42.21 2a6o n LEU 121 CO 0.55 0.00 0.72 -1.13 -1.33 0.00 0.00 177.39 176.19 2a6o h ASN 122 N 0.00 0.28 -0.11 -1.43 -0.00 -2.00 -2.77 115.58 109.55 2a6o h ASN 122 Ca 0.00 -0.10 -0.06 0.00 -0.00 0.00 0.00 56.30 56.14 2a6o h ASN 122 Cb 0.00 -0.08 -0.02 0.00 -0.00 0.00 0.00 38.32 38.23 2a6o h ASN 122 CO 0.00 0.59 -0.11 0.58 -0.00 0.00 0.00 177.43 178.49 2a6o h VAL 123 N 0.24 1.22 -0.15 2.57 2.07 -1.02 -1.79 116.25 119.38 2a6o h VAL 123 Ca 0.03 -0.95 -0.18 0.00 0.82 0.00 0.00 66.70 66.43 2a6o h VAL 123 Cb 0.69 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 2a6o h VAL 123 CO 0.05 0.31 -0.63 0.58 0.02 0.00 0.00 177.57 177.90 2a6o h VAL 124 N 0.41 1.33 -0.68 2.57 2.07 -1.61 -1.98 116.25 118.36 2a6o h VAL 124 Ca 0.08 -1.92 -0.08 0.00 0.82 0.00 0.00 66.70 65.60 2a6o h VAL 124 Cb 0.45 1.89 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 2a6o h VAL 124 CO 0.03 0.59 0.11 0.50 0.02 0.00 0.00 177.57 178.82 2a6o h LYS 125 N 0.41 1.11 -0.15 1.57 3.64 -1.19 -1.63 116.57 120.33 2a6o h LYS 125 Ca -0.01 -0.29 -0.15 0.00 -1.27 0.00 0.00 60.65 58.92 2a6o h LYS 125 Cb 1.20 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 2a6o h LYS 125 CO 0.12 1.01 -0.55 1.96 -2.27 0.00 0.00 179.45 179.72 2a6o h GLN 126 N 1.04 0.44 0.10 1.90 4.20 -1.30 -1.14 115.11 120.35 2a6o h GLN 126 Ca 0.21 -0.28 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 2a6o h GLN 126 Cb 0.44 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.25 2a6o h GLN 126 CO 0.01 0.87 -0.05 -0.92 -0.67 0.00 0.00 178.83 178.08 2a6o h TYR 127 N 0.34 -0.12 0.01 2.96 3.20 -0.99 -2.54 116.97 119.82 2a6o h TYR 127 Ca 0.01 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 2a6o h TYR 127 Cb 1.07 0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.38 2a6o h TYR 127 CO 0.04 -0.04 -0.00 0.82 -1.64 0.00 0.00 178.16 177.33 2a6o h ILE 128 N -0.17 1.14 -0.69 1.81 2.04 -1.26 -3.08 117.51 117.30 2a6o h ILE 128 Ca -0.01 -0.44 0.19 0.00 1.00 0.00 0.00 64.86 65.60 2a6o h ILE 128 Cb 0.14 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 2a6o h ILE 128 CO 0.02 0.11 0.49 -0.08 0.00 0.00 0.00 178.15 178.70 2a6o h GLU 129 N -0.20 0.05 -0.35 2.37 4.57 -1.17 -1.28 114.58 118.57 2a6o h GLU 129 Ca -0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2a6o h GLU 129 Cb 0.19 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 2a6o h GLU 129 CO 0.00 0.03 0.00 0.09 -1.18 0.00 0.00 179.01 177.95 2a6o n ASN 130 N -4.35 2.65 -4.78 1.04 3.02 -0.96 -4.89 115.26 106.99 2a6o n ASN 130 Ca 0.14 -1.90 -0.37 0.00 -0.03 0.00 0.00 54.58 52.42 2a6o n ASN 130 Cb 0.73 -0.23 -0.05 0.00 -0.61 0.00 0.00 39.78 39.62 2a6o n ASN 130 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2a6o s GLN 131 N -1.55 4.44 0.41 3.52 -1.52 -0.49 -4.18 119.66 120.30 2a6o s GLN 131 Ca 0.35 1.47 -0.25 0.00 -1.95 0.00 0.00 55.36 54.98 2a6o s GLN 131 Cb 0.20 -2.76 -0.08 0.00 -0.22 0.00 0.00 33.01 30.14 2a6o s GLN 131 CO 0.28 0.11 1.17 -0.65 -0.25 0.00 0.00 175.29 175.95 2a6o s GLN 132 N -2.12 3.99 0.00 2.91 -0.21 -1.26 -4.93 119.66 118.03 2a6o s GLN 132 Ca 0.52 1.83 0.12 0.00 0.02 0.00 0.00 55.36 57.85 2a6o s GLN 132 Cb -0.22 -2.61 0.33 0.00 1.00 0.00 0.00 33.01 31.51 2a6o s GLN 132 CO 0.28 -0.37 1.26 0.27 -2.12 0.00 0.00 175.29 174.60 2a6o n ASN 133 N -0.06 2.98 -3.78 5.90 2.04 -1.26 -5.02 115.26 116.06 2a6o n ASN 133 Ca 0.05 -1.97 0.04 0.00 -0.44 0.00 0.00 54.58 52.27 2a6o n ASN 133 Cb 0.47 -0.24 0.00 0.00 -2.53 0.00 0.00 39.78 37.48 2a6o n ASN 133 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 2a6o s SER 134 N -1.00 -0.00 0.00 0.53 1.04 -1.26 -5.02 113.70 107.99 2a6o s SER 134 Ca 0.25 -0.02 0.27 0.00 0.48 0.00 0.00 55.95 56.94 2a6o s SER 134 Cb 0.13 0.02 1.05 0.00 0.10 0.00 0.00 66.02 67.32 2a6o s SER 134 CO 0.18 -0.03 1.74 0.59 0.98 0.00 0.00 173.24 176.70 2a6o n ASN 135 N -0.74 1.45 -4.59 7.02 3.02 -1.26 -4.65 115.26 115.52 2a6o n ASN 135 Ca -0.02 -1.50 -0.39 0.00 -0.03 0.00 0.00 54.58 52.63 2a6o n ASN 135 Cb 0.61 -0.01 0.03 0.00 -0.61 0.00 0.00 39.78 39.80 2a6o n ASN 135 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2a6o n ARG 136 N 0.14 1.02 -0.28 3.52 1.74 -1.26 -4.72 116.66 116.82 2a6o n ARG 136 Ca 0.19 0.38 0.08 0.00 -0.77 0.00 0.00 57.85 57.73 2a6o n ARG 136 Cb 0.34 -2.03 0.23 0.00 -1.02 0.00 0.00 32.46 29.98 2a6o n ARG 136 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2a6o h PRO 137 N 0.89 0.40 -0.69 5.56 0.11 -1.99 -1.29 132.00 134.98 2a6o h PRO 137 Ca -0.46 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.67 2a6o h PRO 137 Cb 1.36 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.34 2a6o h PRO 137 CO 0.53 0.26 0.46 0.87 -0.21 0.00 0.00 178.00 179.91 2a6o h LYS 138 N 0.41 0.76 -0.24 1.05 1.57 -1.97 -0.73 116.57 117.42 2a6o h LYS 138 Ca 0.47 -0.05 -0.20 0.00 -1.87 0.00 0.00 60.65 59.00 2a6o h LYS 138 Cb 0.80 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.94 2a6o h LYS 138 CO -0.47 0.50 -0.63 1.96 -0.57 0.00 0.00 179.45 180.24 2a6o h GLN 139 N 0.79 0.86 0.00 3.15 1.08 -1.54 -1.22 115.11 118.22 2a6o h GLN 139 Ca 0.28 -0.60 -0.04 0.00 -1.45 0.00 0.00 58.65 56.85 2a6o h GLN 139 Cb 0.14 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 2a6o h GLN 139 CO -0.09 1.22 -0.19 0.87 -0.95 0.00 0.00 178.83 179.70 2a6o h LYS 140 N 0.63 0.00 0.06 1.46 1.57 -0.97 -1.30 116.57 118.02 2a6o h LYS 140 Ca -0.01 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 2a6o h LYS 140 Cb 1.25 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.57 2a6o h LYS 140 CO 0.14 0.19 -0.45 0.93 -0.57 0.00 0.00 179.45 179.69 2a6o h GLU 141 N 0.00 0.20 -0.65 3.15 5.08 -1.01 -1.43 114.58 119.93 2a6o h GLU 141 Ca -0.00 -0.29 0.10 0.00 -1.00 0.00 0.00 59.36 58.16 2a6o h GLU 141 Cb 0.43 0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.71 2a6o h GLU 141 CO 0.02 1.10 0.26 -0.22 -1.00 0.00 0.00 179.01 179.17 2a6o h LYS 142 N -0.56 0.44 0.13 2.33 3.64 -0.97 0.21 116.57 121.79 2a6o h LYS 142 Ca -0.07 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 2a6o h LYS 142 Cb 1.30 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 2a6o h LYS 142 CO 0.09 0.29 -0.06 2.35 -2.27 0.00 0.00 179.45 179.84 2a6o h TRP 143 N 0.45 -0.16 -0.55 1.91 2.91 -1.32 -2.15 115.95 117.04 2a6o h TRP 143 Ca 0.33 -0.00 0.07 0.00 1.13 0.00 0.00 58.89 60.42 2a6o h TRP 143 Cb 0.40 0.05 -0.06 0.00 -0.51 0.00 0.00 29.16 29.05 2a6o h TRP 143 CO -0.16 0.29 0.22 -0.22 -1.03 0.00 0.00 178.44 177.54 2a6o h LYS 144 N -0.71 0.40 -0.33 2.65 3.64 -1.07 -1.31 116.57 119.84 2a6o h LYS 144 Ca -0.02 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.40 2a6o h LYS 144 Cb 0.52 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.20 2a6o h LYS 144 CO 0.03 0.26 0.00 1.03 -2.27 0.00 0.00 179.45 178.50 2a6o h SER 145 N 0.41 -0.13 0.57 4.20 0.87 -0.62 -0.27 113.55 118.58 2a6o h SER 145 Ca 0.27 0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.88 2a6o h SER 145 Cb 0.28 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 2a6o h SER 145 CO -0.25 -0.03 -0.41 0.22 -0.53 0.00 0.00 176.83 175.82 2a6o h TYR 146 N 0.10 -1.11 -0.09 2.24 3.20 -0.65 -2.55 116.97 118.12 2a6o h TYR 146 Ca 0.16 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 2a6o h TYR 146 Cb 0.22 0.41 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 2a6o h TYR 146 CO -0.23 -0.60 -0.26 -0.39 -1.64 0.00 0.00 178.16 175.03 2a6o h VAL 147 N -0.95 1.23 0.00 1.81 -1.51 -1.16 -2.19 116.25 113.48 2a6o h VAL 147 Ca -0.07 -1.07 -0.05 0.00 -1.23 0.00 0.00 66.70 64.28 2a6o h VAL 147 Cb 0.79 1.46 -0.01 0.00 -2.13 0.00 0.00 31.29 31.40 2a6o h VAL 147 CO 0.03 0.32 -0.26 0.44 -1.23 0.00 0.00 177.57 176.87 2a6o h ASP 148 N 0.14 0.00 -0.58 4.19 3.45 -0.98 -2.60 116.42 120.04 2a6o h ASP 148 Ca 0.02 0.00 -0.39 0.00 0.43 0.00 0.00 57.03 57.10 2a6o h ASP 148 Cb 0.55 0.00 -0.17 0.00 -0.56 0.00 0.00 39.33 39.15 2a6o h ASP 148 CO 0.04 0.26 0.50 -3.20 -1.57 0.00 0.00 179.24 175.27 2a6o n ASN 149 N -3.71 6.40 -4.18 6.45 5.15 -0.82 -4.87 115.26 119.68 2a6o n ASN 149 Ca -0.01 -3.18 -0.18 0.00 -0.60 0.00 0.00 54.58 50.61 2a6o n ASN 149 Cb 0.37 -1.01 -0.12 0.00 -0.53 0.00 0.00 39.78 38.49 2a6o n ASN 149 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2a6o s LEU 150 N -2.19 2.31 0.61 1.20 1.02 -0.98 -5.03 118.68 115.62 2a6o s LEU 150 Ca 0.37 -0.67 -0.16 0.00 0.02 0.00 0.00 54.13 53.70 2a6o s LEU 150 Cb 0.29 -0.49 -0.03 0.00 0.02 0.00 0.00 46.19 45.99 2a6o s LEU 150 CO 0.00 -0.11 1.08 -1.10 0.02 0.00 0.00 176.35 176.24 2a6o s GLN 151 N -2.00 3.14 0.35 1.70 -1.52 -1.20 -4.83 119.66 115.30 2a6o s GLN 151 Ca 0.00 1.30 0.07 0.00 -1.95 0.00 0.00 55.36 54.79 2a6o s GLN 151 Cb -0.08 -2.00 -0.03 0.00 -0.22 0.00 0.00 33.01 30.68 2a6o s GLN 151 CO 0.02 -0.96 0.26 0.95 -0.25 0.00 0.00 175.29 175.30 2a6o s THR 152 N -2.35 0.10 -0.39 -0.19 -4.23 -1.26 -0.80 115.64 106.51 2a6o s THR 152 Ca 0.66 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.18 2a6o s THR 152 Cb -0.18 -2.46 0.14 0.00 1.34 0.00 0.00 72.50 71.34 2a6o s THR 152 CO 0.37 0.00 0.23 -0.54 -0.54 0.00 0.00 174.62 174.14 2a6o s LYS 153 N -3.47 0.90 0.00 3.99 1.02 -1.26 -4.92 119.74 115.99 2a6o s LYS 153 Ca 0.37 -1.66 0.00 0.00 0.02 0.00 0.00 55.97 54.70 2a6o s LYS 153 Cb 0.02 -1.77 0.00 0.00 -0.52 0.00 0.00 37.83 35.56 2a6o s LYS 153 CO 0.26 -1.19 0.00 0.00 -0.92 0.00 0.00 175.35 173.49 2a6o n ALA 154 N 3.78 0.00 -0.07 5.17 0.00 -1.26 -5.03 120.51 123.10 2a6o n ALA 154 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2a6o n ALA 154 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 2a6o n ALA 154 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78