#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1flt n GLU 13 N 0.00 0.03 -4.08 -0.41 1.02 -1.26 -5.11 120.64 110.83 1flt n GLU 13 Ca 0.00 -0.31 -0.14 0.00 -0.02 0.00 0.00 57.16 56.69 1flt n GLU 13 Cb 0.00 -0.51 -0.11 0.00 -0.02 0.00 0.00 31.44 30.79 1flt n GLU 13 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1flt s VAL 14 N -0.01 0.64 -0.23 2.62 1.01 -1.26 -5.11 120.40 118.06 1flt s VAL 14 Ca 0.00 -1.14 -0.27 0.00 0.00 0.00 0.00 61.98 60.57 1flt s VAL 14 Cb 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.67 1flt s VAL 14 CO 0.00 -0.37 0.94 -0.69 0.00 0.00 0.00 175.10 174.98 1flt s VAL 15 N -1.41 4.76 0.40 2.92 1.01 -1.26 -5.00 120.40 121.82 1flt s VAL 15 Ca -0.08 1.81 -0.26 0.00 0.00 0.00 0.00 61.98 63.44 1flt s VAL 15 Cb -0.10 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 31.98 1flt s VAL 15 CO 0.01 -0.11 1.31 -1.59 0.00 0.00 0.00 175.10 174.72 1flt s LYS 16 N 2.93 4.02 0.23 2.72 -2.85 -1.26 -4.79 119.74 120.74 1flt s LYS 16 Ca 0.40 2.19 -0.15 0.00 -1.00 0.00 0.00 55.97 57.40 1flt s LYS 16 Cb -0.15 -2.80 0.27 0.00 -2.06 0.00 0.00 37.83 33.08 1flt s LYS 16 CO 0.07 -0.46 1.57 0.35 0.10 0.00 0.00 175.35 176.98 1flt h PHE 17 N 2.78 -0.83 -0.73 1.78 3.57 -2.00 0.94 116.94 122.44 1flt h PHE 17 Ca -0.50 0.09 0.07 0.00 3.53 0.00 0.00 57.97 61.16 1flt h PHE 17 Cb 1.24 0.50 -0.05 0.00 2.79 0.00 0.00 35.95 40.43 1flt h PHE 17 CO 0.53 -0.39 0.48 0.52 -2.23 0.00 0.00 178.31 177.22 1flt h MET 18 N -0.04 0.73 -0.25 1.11 2.86 -2.00 -0.87 114.93 116.48 1flt h MET 18 Ca 0.35 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.86 1flt h MET 18 Cb 0.61 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.10 1flt h MET 18 CO -0.90 0.49 -0.21 -0.44 1.06 0.00 0.00 176.91 176.91 1flt h ASP 19 N 0.76 0.61 -0.59 1.22 3.32 -1.21 -1.42 116.42 119.10 1flt h ASP 19 Ca 0.32 -0.46 0.01 0.00 0.02 0.00 0.00 57.03 56.92 1flt h ASP 19 Cb 0.27 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 1flt h ASP 19 CO -0.11 0.94 0.38 0.58 -1.72 0.00 0.00 179.24 179.31 1flt h VAL 20 N 0.28 1.12 0.09 -1.35 2.07 -0.64 -1.72 116.25 116.11 1flt h VAL 20 Ca 0.04 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1flt h VAL 20 Cb 0.75 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1flt h VAL 20 CO 0.05 0.14 -0.05 0.22 0.02 0.00 0.00 177.57 177.96 1flt h TYR 21 N 0.77 -0.12 -0.37 1.57 5.03 -1.18 -2.32 116.97 120.36 1flt h TYR 21 Ca 0.22 -0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.49 1flt h TYR 21 Cb -0.05 0.04 -0.02 0.00 1.55 0.00 0.00 36.73 38.25 1flt h TYR 21 CO -0.04 0.17 0.05 1.96 -1.32 0.00 0.00 178.16 178.98 1flt h GLN 22 N -0.41 0.55 0.00 1.82 4.20 -1.23 -1.95 115.11 118.10 1flt h GLN 22 Ca -0.01 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1flt h GLN 22 Cb 0.34 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1flt h GLN 22 CO 0.02 0.54 -0.05 0.00 -0.67 0.00 0.00 178.83 178.68 1flt h ARG 23 N 0.54 0.00 0.00 1.46 3.08 -1.31 -3.35 114.38 114.80 1flt h ARG 23 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1flt h ARG 23 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1flt h ARG 23 CO 0.00 0.00 -1.51 -1.13 -1.07 0.00 0.00 179.97 176.26 1flt n SER 24 N -2.55 1.49 -4.77 7.04 3.41 -0.88 -5.02 113.62 112.34 1flt n SER 24 Ca 0.05 -0.13 -0.41 0.00 -0.26 0.00 0.00 58.87 58.12 1flt n SER 24 Cb 0.47 1.57 -0.01 0.00 -0.26 0.00 0.00 64.21 65.97 1flt n SER 24 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1flt s TYR 25 N -2.91 2.79 -0.21 7.33 5.04 -0.75 -1.30 117.35 127.34 1flt s TYR 25 Ca -0.04 1.17 -0.19 0.00 -2.44 0.00 0.00 57.07 55.57 1flt s TYR 25 Cb 0.10 -3.91 -0.08 0.00 0.35 0.00 0.00 41.96 38.42 1flt s TYR 25 CO 0.61 -2.71 0.74 0.00 -1.34 0.00 0.00 175.55 172.85 1flt s HIS 27 N 1.68 -0.21 0.07 0.00 -3.43 -0.21 -4.88 115.29 108.31 1flt s HIS 27 Ca 0.46 0.03 -0.31 0.00 -0.80 0.00 0.00 55.06 54.43 1flt s HIS 27 Cb -0.62 0.58 -0.06 0.00 -1.43 0.00 0.00 32.58 31.04 1flt s HIS 27 CO 0.31 -0.59 1.28 -2.14 -2.00 0.00 0.00 174.74 171.60 1flt s PRO 28 N -3.05 4.38 0.03 -0.38 0.02 -1.26 -0.93 135.00 133.81 1flt s PRO 28 Ca 0.09 1.89 0.01 0.00 0.02 0.00 0.00 61.00 63.01 1flt s PRO 28 Cb -0.01 -3.33 -0.02 0.00 0.02 0.00 0.00 34.50 31.16 1flt s PRO 28 CO -0.04 -0.35 -0.05 -1.50 -0.33 0.00 0.00 177.00 174.73 1flt s ILE 29 N 1.19 0.32 0.07 2.83 2.07 -0.28 -4.86 121.20 122.54 1flt s ILE 29 Ca 0.61 -1.06 -0.31 0.00 -1.41 0.00 0.00 60.65 58.48 1flt s ILE 29 Cb -0.32 -0.52 -0.09 0.00 0.13 0.00 0.00 42.46 41.66 1flt s ILE 29 CO 0.29 -0.49 1.81 -0.70 -1.91 0.00 0.00 174.94 173.94 1flt s GLU 30 N -1.71 4.16 -0.05 3.50 2.12 -1.26 -1.50 118.70 123.96 1flt s GLU 30 Ca -0.11 2.50 0.03 0.00 0.36 0.00 0.00 54.97 57.75 1flt s GLU 30 Cb -0.09 -3.78 0.00 0.00 0.26 0.00 0.00 34.13 30.53 1flt s GLU 30 CO -0.01 -0.85 -0.15 0.99 -0.54 0.00 0.00 175.26 174.71 1flt s THR 31 N 3.29 1.27 -0.40 -1.70 2.01 0.38 -4.93 115.64 115.56 1flt s THR 31 Ca 0.80 -0.61 -0.23 0.00 0.31 0.00 0.00 61.69 61.97 1flt s THR 31 Cb -0.42 -1.11 0.01 0.00 0.01 0.00 0.00 72.50 70.99 1flt s THR 31 CO 0.36 0.37 0.75 -0.76 -0.69 0.00 0.00 174.62 174.66 1flt s LEU 32 N 0.22 4.22 -0.13 4.42 1.43 -1.26 -0.68 118.68 126.91 1flt s LEU 32 Ca -0.07 0.11 -0.01 0.00 -1.03 0.00 0.00 54.13 53.13 1flt s LEU 32 Cb -0.12 -2.94 -0.02 0.00 0.03 0.00 0.00 46.19 43.13 1flt s LEU 32 CO 0.02 -0.78 -0.08 -0.69 0.23 0.00 0.00 176.35 175.06 1flt s VAL 33 N 3.09 3.54 0.21 -1.59 1.01 -0.11 -4.90 120.40 121.65 1flt s VAL 33 Ca 0.29 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.47 1flt s VAL 33 Cb -0.13 -2.50 -0.09 0.00 0.00 0.00 0.00 36.38 33.65 1flt s VAL 33 CO 0.19 0.53 1.39 -0.62 0.00 0.00 0.00 175.10 176.59 1flt s ASP 34 N 0.08 6.76 0.35 3.32 2.15 -1.26 -1.36 116.67 126.71 1flt s ASP 34 Ca -0.03 2.53 0.07 0.00 0.43 0.00 0.00 52.55 55.55 1flt s ASP 34 Cb -0.14 -2.61 0.67 0.00 -0.30 0.00 0.00 42.92 40.54 1flt s ASP 34 CO 0.03 -0.64 1.88 0.40 -0.17 0.00 0.00 175.17 176.67 1flt h ILE 35 N 3.71 1.20 0.00 4.11 2.04 -1.65 -2.51 117.51 124.40 1flt h ILE 35 Ca -0.45 -0.84 -0.02 0.00 1.00 0.00 0.00 64.86 64.56 1flt h ILE 35 Cb 1.21 1.12 -0.00 0.00 -0.74 0.00 0.00 36.82 38.41 1flt h ILE 35 CO 0.79 0.27 -0.08 -0.26 0.00 0.00 0.00 178.15 178.87 1flt h PHE 36 N 0.36 0.00 -0.07 1.37 0.04 -1.83 0.99 116.94 117.81 1flt h PHE 36 Ca 0.07 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.73 1flt h PHE 36 Cb 0.39 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 1flt h PHE 36 CO 0.01 0.08 -0.49 0.37 -0.60 0.00 0.00 178.31 177.68 1flt h GLN 37 N 0.00 0.17 0.00 1.51 4.15 -1.84 -1.87 115.11 117.23 1flt h GLN 37 Ca -0.00 -0.09 -0.23 0.00 0.77 0.00 0.00 58.65 59.10 1flt h GLN 37 Cb 0.16 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.82 1flt h GLN 37 CO 0.01 0.62 -1.44 0.93 -1.93 0.00 0.00 178.83 177.02 1flt h GLU 38 N 0.13 0.00 -2.12 1.69 4.39 -1.28 -3.40 114.58 113.99 1flt h GLU 38 Ca 0.01 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.14 1flt h GLU 38 Cb 0.92 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 29.16 1flt h GLU 38 CO 0.07 0.49 -0.85 0.66 -1.16 0.00 0.00 179.01 178.21 1flt n TYR 39 N -3.04 1.99 0.21 4.33 4.02 0.24 -4.95 117.16 119.96 1flt n TYR 39 Ca -0.11 -3.90 0.09 0.00 -0.01 0.00 0.00 57.90 53.97 1flt n TYR 39 Cb 0.95 -0.46 0.44 0.00 -0.02 0.00 0.00 39.34 40.24 1flt n TYR 39 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1flt n PRO 40 N 0.69 0.12 -0.20 -0.72 -0.04 -0.71 -2.07 135.00 132.07 1flt n PRO 40 Ca 0.27 0.53 0.12 0.00 -0.04 0.00 0.00 63.50 64.38 1flt n PRO 40 Cb 0.48 -1.82 0.25 0.00 -0.04 0.00 0.00 33.50 32.37 1flt n PRO 40 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1flt n ASP 41 N -2.06 3.25 -1.63 3.54 5.75 -1.26 -4.35 116.55 119.80 1flt n ASP 41 Ca 0.00 -1.96 -0.15 0.00 -0.01 0.00 0.00 54.79 52.66 1flt n ASP 41 Cb 0.08 -0.26 0.07 0.00 -1.03 0.00 0.00 41.12 39.99 1flt n ASP 41 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1flt n GLU 42 N 1.34 3.03 0.00 0.11 1.02 -0.88 -4.78 120.64 120.49 1flt n GLU 42 Ca 0.19 -3.92 0.08 0.00 -0.02 0.00 0.00 57.16 53.50 1flt n GLU 42 Cb 0.57 -2.09 0.45 0.00 -0.02 0.00 0.00 31.44 30.35 1flt n GLU 42 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1flt n ILE 43 N -0.82 0.30 0.25 -3.67 2.08 -1.26 -2.39 119.36 113.85 1flt n ILE 43 Ca 0.37 0.08 0.14 0.00 0.56 0.00 0.00 62.75 63.89 1flt n ILE 43 Cb 0.89 -0.81 0.54 0.00 -0.75 0.00 0.00 39.64 39.51 1flt n ILE 43 CO 0.00 0.00 0.00 1.05 0.56 0.00 0.00 176.55 178.16 1flt h GLU 44 N 0.00 0.00 -6.32 0.38 9.09 -1.96 -3.45 114.58 112.32 1flt h GLU 44 Ca 0.00 0.00 -0.49 0.00 0.05 0.00 0.00 59.36 58.92 1flt h GLU 44 Cb 0.09 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.18 1flt h GLU 44 CO 0.00 0.10 -0.31 0.71 0.05 0.00 0.00 179.01 179.55 1flt s TYR 45 N -3.61 3.48 -0.19 2.06 2.02 -1.01 -4.74 117.35 115.36 1flt s TYR 45 Ca 0.01 0.24 -0.04 0.00 -0.37 0.00 0.00 57.07 56.91 1flt s TYR 45 Cb 0.09 -1.78 -0.02 0.00 -0.40 0.00 0.00 41.96 39.85 1flt s TYR 45 CO 0.59 0.31 -0.03 0.42 -1.57 0.00 0.00 175.55 175.27 1flt s ILE 46 N -2.06 3.68 -0.03 2.71 -1.09 0.44 -4.94 121.20 119.91 1flt s ILE 46 Ca 0.38 -0.41 -0.04 0.00 -2.23 0.00 0.00 60.65 58.35 1flt s ILE 46 Cb -0.10 -2.65 -0.04 0.00 -1.58 0.00 0.00 42.46 38.09 1flt s ILE 46 CO 0.31 0.45 0.19 -0.36 -1.23 0.00 0.00 174.94 174.30 1flt s PHE 47 N 0.96 3.56 -0.08 3.97 0.08 -1.26 -1.04 117.98 124.18 1flt s PHE 47 Ca 0.00 0.43 -0.01 0.00 0.12 0.00 0.00 56.93 57.48 1flt s PHE 47 Cb -0.15 -1.88 0.03 0.00 -0.57 0.00 0.00 43.02 40.45 1flt s PHE 47 CO 0.01 0.66 -0.04 0.15 -0.10 0.00 0.00 175.22 175.90 1flt s LYS 48 N -1.74 0.99 0.88 0.44 1.02 -0.66 -2.69 119.74 117.98 1flt s LYS 48 Ca 0.25 -0.06 -0.11 0.00 0.02 0.00 0.00 55.97 56.06 1flt s LYS 48 Cb -0.13 -1.17 0.12 0.00 -0.52 0.00 0.00 37.83 36.13 1flt s LYS 48 CO 0.16 -0.24 1.09 -1.25 -0.92 0.00 0.00 175.35 174.18 1flt s PRO 49 N 1.67 1.41 0.00 -1.68 0.04 -1.26 -0.99 135.00 134.19 1flt s PRO 49 Ca 0.02 0.81 0.28 0.00 0.04 0.00 0.00 61.00 62.15 1flt s PRO 49 Cb -0.13 -1.83 1.02 0.00 0.04 0.00 0.00 34.50 33.60 1flt s PRO 49 CO -0.05 -2.14 1.75 -1.13 0.04 0.00 0.00 177.00 175.48 1flt n SER 50 N -3.81 0.32 -4.08 6.66 3.41 -1.09 -4.87 113.62 110.16 1flt n SER 50 Ca 0.07 -0.11 -0.08 0.00 -0.26 0.00 0.00 58.87 58.48 1flt n SER 50 Cb 0.55 -0.12 -0.10 0.00 -0.26 0.00 0.00 64.21 64.28 1flt n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1flt s VAL 52 N -3.16 1.12 -0.27 0.00 -7.23 -0.46 -4.91 120.40 105.49 1flt s VAL 52 Ca 0.02 -1.40 -0.25 0.00 -1.81 0.00 0.00 61.98 58.54 1flt s VAL 52 Cb 0.02 -1.16 -0.00 0.00 0.56 0.00 0.00 36.38 35.80 1flt s VAL 52 CO -0.06 -0.29 0.84 -2.16 -0.31 0.00 0.00 175.10 173.12 1flt s PRO 53 N -1.97 4.12 0.04 4.82 0.04 -1.26 -0.94 135.00 139.85 1flt s PRO 53 Ca 0.00 0.87 0.04 0.00 0.04 0.00 0.00 61.00 61.95 1flt s PRO 53 Cb -0.09 -3.68 -0.02 0.00 0.04 0.00 0.00 34.50 30.76 1flt s PRO 53 CO 0.02 -0.60 -0.12 -0.51 0.04 0.00 0.00 177.00 175.84 1flt s LEU 54 N 2.95 2.20 -0.12 -3.56 1.43 0.15 -4.92 118.68 116.81 1flt s LEU 54 Ca 0.35 -0.47 -0.30 0.00 -1.03 0.00 0.00 54.13 52.68 1flt s LEU 54 Cb -0.15 -0.45 -0.01 0.00 0.03 0.00 0.00 46.19 45.61 1flt s LEU 54 CO 0.09 -0.04 1.11 -0.04 0.23 0.00 0.00 176.35 177.70 1flt s MET 55 N -1.26 4.35 0.02 1.70 -1.94 -1.26 -0.47 119.30 120.44 1flt s MET 55 Ca -0.02 1.51 -0.01 0.00 -1.71 0.00 0.00 55.69 55.46 1flt s MET 55 Cb -0.08 -3.59 -0.02 0.00 2.01 0.00 0.00 34.83 33.15 1flt s MET 55 CO 0.01 -0.46 -0.00 1.03 -0.01 0.00 0.00 175.02 175.58 1flt s ARG 56 N 2.48 0.32 0.21 2.03 1.81 -0.56 -0.89 118.95 124.35 1flt s ARG 56 Ca 0.51 -0.56 -0.32 0.00 -1.72 0.00 0.00 55.73 53.64 1flt s ARG 56 Cb -0.20 0.12 -0.12 0.00 -0.45 0.00 0.00 34.95 34.30 1flt s ARG 56 CO 0.17 -0.06 1.72 0.00 -0.68 0.00 0.00 175.30 176.45 1flt s GLY 58 N 1.15 0.67 0.00 0.00 0.00 -0.11 -4.89 107.32 104.16 1flt s GLY 58 Ca 0.74 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 44.47 1flt s GLY 58 CO 0.33 -0.72 0.00 0.61 0.00 0.00 0.00 173.10 173.32 1flt n GLY 59 N -0.38 -1.22 3.40 0.20 0.00 -1.26 -1.05 105.19 104.87 1flt n GLY 59 Ca -0.01 -2.11 -0.21 0.00 0.00 0.00 0.00 46.02 43.69 1flt n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1flt n ASN 62 N -0.68 -1.78 -3.25 0.00 3.02 -1.26 -4.95 115.26 106.35 1flt n ASN 62 Ca 0.04 -0.84 0.04 0.00 -0.03 0.00 0.00 54.58 53.78 1flt n ASN 62 Cb 0.21 -3.88 -0.03 0.00 -0.61 0.00 0.00 39.78 35.47 1flt n ASN 62 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1flt s ASP 63 N -4.15 -0.40 0.66 6.41 -1.08 -1.26 -5.05 116.67 111.80 1flt s ASP 63 Ca 0.14 0.43 0.43 0.00 -0.52 0.00 0.00 52.55 53.03 1flt s ASP 63 Cb -0.07 1.41 2.38 0.00 -1.46 0.00 0.00 42.92 45.17 1flt s ASP 63 CO 0.83 -0.08 2.36 -0.33 0.52 0.00 0.00 175.17 178.47 1flt h GLU 64 N 7.59 0.00 -0.24 4.34 4.39 -2.04 -0.88 114.58 127.74 1flt h GLU 64 Ca -0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.56 1flt h GLU 64 Cb 1.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1flt h GLU 64 CO 0.01 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.27 1flt n GLY 65 N -1.10 0.42 3.38 -3.84 0.00 -1.26 -4.91 105.19 97.89 1flt n GLY 65 Ca -0.03 -0.40 -0.22 0.00 0.00 0.00 0.00 46.02 45.37 1flt n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1flt s LEU 66 N -1.34 2.53 0.02 0.99 1.43 -0.34 -1.30 118.68 120.66 1flt s LEU 66 Ca 0.29 -0.97 -0.02 0.00 -1.03 0.00 0.00 54.13 52.40 1flt s LEU 66 Cb 0.15 -0.88 -0.02 0.00 0.03 0.00 0.00 46.19 45.48 1flt s LEU 66 CO 0.22 -0.05 0.01 -1.83 0.23 0.00 0.00 176.35 174.93 1flt s GLU 67 N -3.31 0.35 -0.30 1.70 -1.05 -0.10 -4.80 118.70 111.19 1flt s GLU 67 Ca 0.23 -0.56 -0.23 0.00 -0.15 0.00 0.00 54.97 54.26 1flt s GLU 67 Cb -0.04 0.13 -0.00 0.00 -0.44 0.00 0.00 34.13 33.78 1flt s GLU 67 CO 0.09 -0.06 0.76 0.00 0.95 0.00 0.00 175.26 177.00 1flt s VAL 69 N 2.87 1.01 0.28 0.00 -7.23 -0.19 -4.89 120.40 112.26 1flt s VAL 69 Ca 0.31 -1.64 -0.29 0.00 -1.81 0.00 0.00 61.98 58.55 1flt s VAL 69 Cb -0.14 -1.38 -0.10 0.00 0.56 0.00 0.00 36.38 35.32 1flt s VAL 69 CO 0.12 -0.52 1.11 -2.16 -0.31 0.00 0.00 175.10 173.33 1flt s PRO 70 N -2.74 4.63 -0.00 4.82 0.04 -1.26 -0.93 135.00 139.56 1flt s PRO 70 Ca 0.06 1.82 0.03 0.00 0.04 0.00 0.00 61.00 62.94 1flt s PRO 70 Cb -0.03 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 1flt s PRO 70 CO 0.01 0.20 0.09 0.25 0.04 0.00 0.00 177.00 177.59 1flt n THR 71 N 1.16 0.00 -3.74 1.26 -2.24 0.38 -4.89 114.28 106.22 1flt n THR 71 Ca -0.01 -0.26 -0.13 0.00 -2.27 0.00 0.00 64.05 61.38 1flt n THR 71 Cb 0.45 0.73 -0.14 0.00 -2.10 0.00 0.00 70.33 69.27 1flt n THR 71 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1flt s GLU 72 N -1.71 0.15 0.17 -0.78 2.12 -1.18 -4.97 118.70 112.50 1flt s GLU 72 Ca 0.00 0.44 0.01 0.00 0.36 0.00 0.00 54.97 55.78 1flt s GLU 72 Cb 0.02 -0.14 -0.05 0.00 0.26 0.00 0.00 34.13 34.22 1flt s GLU 72 CO 0.12 -0.16 0.02 -1.21 -0.54 0.00 0.00 175.26 173.49 1flt s GLU 73 N 1.17 1.11 0.39 4.30 2.02 -1.26 0.26 118.70 126.69 1flt s GLU 73 Ca -0.09 -1.54 -0.13 0.00 0.02 0.00 0.00 54.97 53.23 1flt s GLU 73 Cb -0.11 -0.19 0.05 0.00 0.10 0.00 0.00 34.13 33.98 1flt s GLU 73 CO -0.07 -0.16 0.76 -1.54 0.02 0.00 0.00 175.26 174.27 1flt s SER 74 N -3.17 0.18 0.15 -0.19 1.04 -0.64 -4.89 113.70 106.18 1flt s SER 74 Ca 0.25 -1.26 0.10 0.00 0.48 0.00 0.00 55.95 55.52 1flt s SER 74 Cb 0.06 0.84 -0.04 0.00 0.10 0.00 0.00 66.02 66.99 1flt s SER 74 CO 0.04 -1.68 -0.18 0.20 0.98 0.00 0.00 173.24 172.61 1flt s ASN 75 N -3.11 3.85 0.00 7.02 0.01 -1.26 -0.10 114.94 121.35 1flt s ASN 75 Ca 0.18 -0.64 0.03 0.00 -0.71 0.00 0.00 52.86 51.72 1flt s ASN 75 Cb -0.04 -0.51 -0.01 0.00 0.41 0.00 0.00 41.25 41.10 1flt s ASN 75 CO 0.13 0.15 -0.10 -0.51 -1.51 0.00 0.00 177.10 175.26 1flt s ILE 76 N -1.41 0.75 -0.06 0.60 2.07 -0.52 -4.92 121.20 117.71 1flt s ILE 76 Ca 0.20 -0.53 0.03 0.00 -1.41 0.00 0.00 60.65 58.94 1flt s ILE 76 Cb -0.09 -0.66 -0.03 0.00 0.13 0.00 0.00 42.46 41.81 1flt s ILE 76 CO 0.11 0.12 -0.13 -0.89 -1.91 0.00 0.00 174.94 172.25 1flt s THR 77 N -0.40 3.18 0.02 4.00 2.01 -1.26 -1.06 115.64 122.13 1flt s THR 77 Ca 0.02 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.35 1flt s THR 77 Cb -0.05 -2.26 -0.02 0.00 0.01 0.00 0.00 72.50 70.18 1flt s THR 77 CO -0.00 0.59 -0.03 -0.04 -0.69 0.00 0.00 174.62 174.44 1flt s MET 78 N -0.65 0.32 -0.25 4.92 1.00 -0.76 -4.95 119.30 118.93 1flt s MET 78 Ca 0.10 -0.59 -0.28 0.00 0.00 0.00 0.00 55.69 54.91 1flt s MET 78 Cb -0.11 0.05 0.01 0.00 0.00 0.00 0.00 34.83 34.78 1flt s MET 78 CO 0.01 -0.03 0.99 -0.65 0.00 0.00 0.00 175.02 175.34 1flt s GLN 79 N -1.39 4.21 -0.02 2.03 -0.21 -1.26 -1.23 119.66 121.77 1flt s GLN 79 Ca -0.14 1.20 0.07 0.00 0.02 0.00 0.00 55.36 56.51 1flt s GLN 79 Cb -0.09 -3.66 -0.02 0.00 1.00 0.00 0.00 33.01 30.24 1flt s GLN 79 CO -0.01 -0.65 -0.25 0.42 -2.12 0.00 0.00 175.29 172.69 1flt s ILE 80 N 3.18 1.99 -0.18 1.08 -1.09 -0.48 -4.88 121.20 120.81 1flt s ILE 80 Ca 0.42 -1.07 -0.24 0.00 -2.23 0.00 0.00 60.65 57.52 1flt s ILE 80 Cb -0.15 -1.65 -0.02 0.00 -1.58 0.00 0.00 42.46 39.06 1flt s ILE 80 CO 0.08 0.56 0.80 -0.32 -1.23 0.00 0.00 174.94 174.83 1flt s MET 81 N -0.52 4.28 -0.27 2.79 -2.45 -0.16 -0.43 119.30 122.53 1flt s MET 81 Ca 0.08 0.95 -0.05 0.00 -1.25 0.00 0.00 55.69 55.41 1flt s MET 81 Cb -0.10 -3.58 0.01 0.00 1.25 0.00 0.00 34.83 32.41 1flt s MET 81 CO -0.00 -0.32 0.03 1.03 1.05 0.00 0.00 175.02 176.81 1flt s ARG 82 N 2.13 3.05 -0.18 4.11 0.52 0.65 -1.65 118.95 127.59 1flt s ARG 82 Ca 0.36 -0.87 -0.04 0.00 -0.52 0.00 0.00 55.73 54.67 1flt s ARG 82 Cb -0.16 -3.23 -0.02 0.00 0.52 0.00 0.00 34.95 32.05 1flt s ARG 82 CO 0.12 -0.41 -0.04 0.42 0.02 0.00 0.00 175.30 175.41 1flt s ILE 83 N 1.45 3.69 -0.14 1.52 1.01 -0.20 -2.66 121.20 125.86 1flt s ILE 83 Ca 0.02 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.27 1flt s ILE 83 Cb -0.17 -2.63 0.01 0.00 0.01 0.00 0.00 42.46 39.68 1flt s ILE 83 CO 0.00 0.47 -0.18 -0.75 0.00 0.00 0.00 174.94 174.47 1flt s LYS 84 N 0.74 2.65 -0.14 2.79 2.20 -1.25 -0.42 119.74 126.31 1flt s LYS 84 Ca -0.02 -0.71 -0.40 0.00 -0.36 0.00 0.00 55.97 54.48 1flt s LYS 84 Cb -0.15 -2.23 -0.18 0.00 -1.51 0.00 0.00 37.83 33.76 1flt s LYS 84 CO 0.02 -0.09 1.42 -2.30 -0.36 0.00 0.00 175.35 174.04 1flt n PRO 85 N 4.31 0.62 -3.87 4.03 -0.02 -1.26 -1.68 135.00 137.14 1flt n PRO 85 Ca -0.19 0.23 -0.30 0.00 -2.02 0.00 0.00 63.50 61.21 1flt n PRO 85 Cb 0.51 -1.81 0.02 0.00 -0.02 0.00 0.00 33.50 32.19 1flt n PRO 85 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1flt n HIS 86 N 3.25 -2.16 -4.29 6.00 8.25 -1.26 -4.95 115.22 120.06 1flt n HIS 86 Ca 0.23 0.83 -0.15 0.00 -0.26 0.00 0.00 57.72 58.37 1flt n HIS 86 Cb 0.10 -3.73 -0.10 0.00 1.12 0.00 0.00 29.99 27.38 1flt n HIS 86 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1flt s GLN 87 N -6.57 1.25 0.00 -0.41 0.74 -0.67 -5.14 119.66 108.85 1flt s GLN 87 Ca 0.64 -1.63 0.00 0.00 0.05 0.00 0.00 55.36 54.43 1flt s GLN 87 Cb -0.33 -0.42 0.00 0.00 1.10 0.00 0.00 33.01 33.37 1flt s GLN 87 CO 0.79 -0.14 0.00 0.41 -0.55 0.00 0.00 175.29 175.80 1flt n GLY 88 N -0.35 -2.24 3.41 2.59 0.00 -1.26 -4.63 105.19 102.71 1flt n GLY 88 Ca -0.05 -0.88 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 1flt n GLY 88 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1flt s GLN 89 N 0.00 0.65 0.06 1.61 0.00 -1.26 -3.77 119.66 116.95 1flt s GLN 89 Ca 0.00 0.61 -0.00 0.00 -0.00 0.00 0.00 55.36 55.97 1flt s GLN 89 Cb 0.00 0.31 -0.04 0.00 0.00 0.00 0.00 33.01 33.28 1flt s GLN 89 CO 0.00 -0.10 -0.04 -3.38 0.00 0.00 0.00 175.29 171.77 1flt s HIS 90 N 0.02 0.63 -0.01 9.60 -3.43 -1.09 -4.95 115.29 116.06 1flt s HIS 90 Ca -0.02 -1.01 -0.23 0.00 -0.80 0.00 0.00 55.06 53.00 1flt s HIS 90 Cb -0.03 -0.42 -0.05 0.00 -1.43 0.00 0.00 32.58 30.64 1flt s HIS 90 CO 0.02 -0.30 0.68 0.42 -2.00 0.00 0.00 174.74 173.55 1flt s ILE 91 N -3.76 4.89 -0.06 -5.38 -1.09 -1.26 -0.25 121.20 114.29 1flt s ILE 91 Ca 0.08 1.43 0.01 0.00 -2.23 0.00 0.00 60.65 59.94 1flt s ILE 91 Cb 0.07 -4.02 0.02 0.00 -1.58 0.00 0.00 42.46 36.94 1flt s ILE 91 CO -0.08 0.35 -0.07 -0.83 -1.23 0.00 0.00 174.94 173.08 1flt s GLY 92 N 0.15 0.61 0.11 6.18 0.00 0.42 -4.95 107.32 109.85 1flt s GLY 92 Ca 0.35 -0.23 -0.30 0.00 0.00 0.00 0.00 44.72 44.54 1flt s GLY 92 CO 0.19 0.38 1.14 -0.54 0.00 0.00 0.00 173.10 174.27 1flt s GLU 93 N 0.93 4.52 0.00 2.90 2.02 -1.26 -1.38 118.70 126.42 1flt s GLU 93 Ca -0.10 1.72 0.04 0.00 0.02 0.00 0.00 54.97 56.65 1flt s GLU 93 Cb -0.15 -3.32 -0.01 0.00 0.10 0.00 0.00 34.13 30.75 1flt s GLU 93 CO 0.01 -0.09 -0.14 -1.64 0.02 0.00 0.00 175.26 173.42 1flt s MET 94 N 0.37 1.08 0.05 1.61 -1.94 -0.37 -4.94 119.30 115.15 1flt s MET 94 Ca 0.54 -0.57 0.00 0.00 -1.71 0.00 0.00 55.69 53.95 1flt s MET 94 Cb -0.29 -1.06 -0.04 0.00 2.01 0.00 0.00 34.83 35.45 1flt s MET 94 CO 0.32 0.28 0.17 -1.54 -0.01 0.00 0.00 175.02 174.24 1flt s SER 95 N -0.55 6.13 0.05 3.03 1.04 -1.26 -1.84 113.70 120.30 1flt s SER 95 Ca 0.04 0.21 0.02 0.00 0.48 0.00 0.00 55.95 56.71 1flt s SER 95 Cb -0.06 -1.84 -0.03 0.00 0.10 0.00 0.00 66.02 64.20 1flt s SER 95 CO -0.00 0.20 -0.07 -0.36 0.98 0.00 0.00 173.24 173.99 1flt s PHE 96 N -1.42 0.64 -0.00 5.02 0.08 -0.22 -4.97 117.98 117.10 1flt s PHE 96 Ca 0.31 -0.56 -0.25 0.00 0.12 0.00 0.00 56.93 56.55 1flt s PHE 96 Cb -0.13 -0.39 -0.04 0.00 -0.57 0.00 0.00 43.02 41.89 1flt s PHE 96 CO 0.24 -0.11 0.77 -1.17 -0.10 0.00 0.00 175.22 174.85 1flt s LEU 97 N -1.75 4.39 -0.02 -0.37 2.96 -1.26 -1.44 118.68 121.18 1flt s LEU 97 Ca -0.08 1.38 0.06 0.00 -0.22 0.00 0.00 54.13 55.27 1flt s LEU 97 Cb -0.08 -3.23 -0.02 0.00 0.50 0.00 0.00 46.19 43.36 1flt s LEU 97 CO -0.01 -0.07 -0.20 -1.10 -1.32 0.00 0.00 176.35 173.65 1flt s GLN 98 N 0.42 2.26 -0.13 1.98 -0.21 0.86 -4.84 119.66 120.00 1flt s GLN 98 Ca 0.40 -0.85 -0.16 0.00 0.02 0.00 0.00 55.36 54.78 1flt s GLN 98 Cb -0.20 -2.20 -0.05 0.00 1.00 0.00 0.00 33.01 31.57 1flt s GLN 98 CO 0.22 0.58 0.37 -1.01 -2.12 0.00 0.00 175.29 173.34 1flt s HIS 99 N -0.72 3.50 -0.03 0.91 3.76 -0.07 -1.62 115.29 121.03 1flt s HIS 99 Ca 0.11 0.74 0.16 0.00 -0.15 0.00 0.00 55.06 55.93 1flt s HIS 99 Cb -0.10 -2.42 -0.25 0.00 1.11 0.00 0.00 32.58 30.92 1flt s HIS 99 CO 0.01 0.25 0.34 0.09 -0.85 0.00 0.00 174.74 174.58 1flt n ASN 100 N 3.46 1.28 -3.71 1.40 3.02 0.14 -4.58 115.26 116.27 1flt n ASN 100 Ca -0.10 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.31 1flt n ASN 100 Cb 0.52 1.70 -0.09 0.00 -0.61 0.00 0.00 39.78 41.30 1flt n ASN 100 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1flt s LYS 101 N -3.10 0.63 0.21 3.52 2.20 -1.12 -4.92 119.74 117.16 1flt s LYS 101 Ca -0.06 0.41 0.06 0.00 -0.36 0.00 0.00 55.97 56.01 1flt s LYS 101 Cb 0.10 0.30 -0.05 0.00 -1.51 0.00 0.00 37.83 36.67 1flt s LYS 101 CO 0.67 -0.12 -0.08 0.00 -0.36 0.00 0.00 175.35 175.47 1flt s GLU 103 N -3.75 0.87 -0.28 0.00 2.12 -0.10 -4.85 118.70 112.71 1flt s GLU 103 Ca 0.24 -0.18 -0.21 0.00 0.36 0.00 0.00 54.97 55.18 1flt s GLU 103 Cb 0.03 0.39 -0.01 0.00 0.26 0.00 0.00 34.13 34.80 1flt s GLU 103 CO 0.07 -0.28 0.64 0.00 -0.54 0.00 0.00 175.26 175.15 1flt s ARG 105 N 2.60 1.10 0.44 0.00 0.52 -0.45 -4.89 118.95 118.27 1flt s ARG 105 Ca 0.26 -1.32 -0.25 0.00 -0.52 0.00 0.00 55.73 53.90 1flt s ARG 105 Cb -0.15 -0.96 -0.08 0.00 0.52 0.00 0.00 34.95 34.28 1flt s ARG 105 CO 0.10 0.18 1.41 -2.14 0.02 0.00 0.00 175.30 174.88 1flt s PRO 106 N -2.90 3.72 0.49 3.54 0.02 -1.26 -0.93 135.00 137.69 1flt s PRO 106 Ca 0.12 2.39 -0.20 0.00 0.02 0.00 0.00 61.00 63.33 1flt s PRO 106 Cb -0.04 -2.67 -0.08 0.00 0.02 0.00 0.00 34.50 31.73 1flt s PRO 106 CO 0.04 -0.78 1.04 0.15 -0.33 0.00 0.00 177.00 177.12 1flt s LYS 107 N -2.42 3.77 0.31 5.54 1.02 -0.42 -4.79 119.74 122.76 1flt s LYS 107 Ca 0.60 1.35 0.07 0.00 0.02 0.00 0.00 55.97 58.02 1flt s LYS 107 Cb -0.43 -2.09 -0.06 0.00 -0.52 0.00 0.00 37.83 34.73 1flt s LYS 107 CO 0.56 -0.45 -0.06 0.15 -0.92 0.00 0.00 175.35 174.62 1flt s LYS 108 N -3.29 1.68 0.00 1.68 1.02 -1.26 -5.01 119.74 114.56 1flt s LYS 108 Ca 0.67 -1.87 0.00 0.00 0.02 0.00 0.00 55.97 54.79 1flt s LYS 108 Cb -0.16 -1.36 0.00 0.00 -0.52 0.00 0.00 37.83 35.79 1flt s LYS 108 CO 0.21 0.05 0.00 -3.47 -0.92 0.00 0.00 175.35 171.22