#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qty s VAL 14 N 0.00 5.35 -0.22 6.31 1.01 -1.26 -5.06 120.40 126.53 1qty s VAL 14 Ca 0.00 0.14 -0.24 0.00 0.00 0.00 0.00 61.98 61.88 1qty s VAL 14 Cb 0.00 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 1qty s VAL 14 CO 0.00 0.40 0.78 -0.69 0.00 0.00 0.00 175.10 175.60 1qty s VAL 15 N -1.26 4.89 0.41 2.92 1.01 -1.26 -5.01 120.40 122.10 1qty s VAL 15 Ca 0.25 1.49 -0.27 0.00 0.00 0.00 0.00 61.98 63.45 1qty s VAL 15 Cb -0.13 -4.08 -0.09 0.00 0.00 0.00 0.00 36.38 32.08 1qty s VAL 15 CO 0.15 -0.02 1.41 -0.54 0.00 0.00 0.00 175.10 176.10 1qty s LYS 16 N 2.52 3.94 0.26 2.72 1.02 -1.26 -4.74 119.74 124.20 1qty s LYS 16 Ca 0.34 2.41 -0.09 0.00 0.02 0.00 0.00 55.97 58.64 1qty s LYS 16 Cb -0.16 -2.82 0.40 0.00 -0.52 0.00 0.00 37.83 34.73 1qty s LYS 16 CO 0.09 -0.60 1.58 0.35 -0.92 0.00 0.00 175.35 175.85 1qty h PHE 17 N 2.72 -0.43 -0.27 3.18 3.57 -1.99 -0.16 116.94 123.55 1qty h PHE 17 Ca -0.50 0.08 0.06 0.00 3.53 0.00 0.00 57.97 61.14 1qty h PHE 17 Cb 1.25 0.33 -0.07 0.00 2.79 0.00 0.00 35.95 40.25 1qty h PHE 17 CO 0.52 -0.37 -0.19 0.52 -2.23 0.00 0.00 178.31 176.56 1qty h MET 18 N 0.00 -0.16 0.53 1.11 2.86 -1.99 0.20 114.93 117.49 1qty h MET 18 Ca 0.42 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 58.06 1qty h MET 18 Cb 0.66 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 1qty h MET 18 CO -0.89 -0.11 -0.34 -0.44 1.06 0.00 0.00 176.91 176.19 1qty h ASP 19 N -0.17 -0.86 -0.83 1.22 3.32 -1.43 -0.31 116.42 117.36 1qty h ASP 19 Ca 0.15 0.05 0.19 0.00 0.02 0.00 0.00 57.03 57.44 1qty h ASP 19 Cb 0.39 0.26 -0.11 0.00 0.22 0.00 0.00 39.33 40.09 1qty h ASP 19 CO -0.37 -0.53 0.33 0.58 -1.72 0.00 0.00 179.24 177.52 1qty h VAL 20 N -0.83 0.53 -0.07 -1.35 2.07 -0.89 0.55 116.25 116.25 1qty h VAL 20 Ca -0.06 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1qty h VAL 20 Cb 0.68 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1qty h VAL 20 CO 0.06 0.07 0.00 0.22 0.02 0.00 0.00 177.57 177.94 1qty h TYR 21 N 0.39 0.14 -0.39 1.57 5.03 -0.14 -1.26 116.97 122.32 1qty h TYR 21 Ca 0.49 -0.02 -0.10 0.00 2.58 0.00 0.00 58.73 61.67 1qty h TYR 21 Cb 0.86 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 39.10 1qty h TYR 21 CO -0.17 0.39 -0.17 1.96 -1.32 0.00 0.00 178.16 178.85 1qty h GLN 22 N -0.15 0.80 -0.09 1.82 4.20 -0.67 -2.10 115.11 118.92 1qty h GLN 22 Ca 0.02 -0.34 -0.08 0.00 0.06 0.00 0.00 58.65 58.31 1qty h GLN 22 Cb 0.33 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1qty h GLN 22 CO 0.00 0.97 -0.30 0.00 -0.67 0.00 0.00 178.83 178.83 1qty h ARG 23 N 0.61 0.16 0.00 1.46 3.08 -0.92 -3.14 114.38 115.63 1qty h ARG 23 Ca 0.09 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.02 1qty h ARG 23 Cb 0.71 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 1qty h ARG 23 CO 0.05 0.45 -0.91 0.66 -1.07 0.00 0.00 179.97 179.16 1qty h SER 24 N 0.15 0.00 -3.41 7.04 4.64 -1.19 -3.48 113.55 117.29 1qty h SER 24 Ca 0.02 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.80 1qty h SER 24 Cb 0.61 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.79 1qty h SER 24 CO 0.04 0.24 0.79 0.00 -0.87 0.00 0.00 176.83 177.03 1qty n TYR 25 N -2.88 2.77 -0.96 4.77 9.36 -0.80 -2.16 117.16 127.27 1qty n TYR 25 Ca -0.02 0.36 -0.41 0.00 3.32 0.00 0.00 57.90 61.14 1qty n TYR 25 Cb 0.66 -2.55 -0.07 0.00 -0.63 0.00 0.00 39.34 36.75 1qty n TYR 25 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1qty s HIS 27 N 3.09 -0.33 -0.08 0.00 -3.43 -0.28 -4.81 115.29 109.45 1qty s HIS 27 Ca 0.74 0.11 -0.30 0.00 -0.80 0.00 0.00 55.06 54.82 1qty s HIS 27 Cb -0.98 0.58 -0.04 0.00 -1.43 0.00 0.00 32.58 30.71 1qty s HIS 27 CO 0.48 -0.75 1.44 -2.14 -2.00 0.00 0.00 174.74 171.76 1qty s PRO 28 N -3.39 4.23 0.06 -0.38 0.02 -1.26 -1.71 135.00 132.57 1qty s PRO 28 Ca 0.06 1.93 0.08 0.00 0.02 0.00 0.00 61.00 63.09 1qty s PRO 28 Cb -0.02 -3.78 -0.03 0.00 0.02 0.00 0.00 34.50 30.69 1qty s PRO 28 CO -0.06 -0.71 -0.21 -1.50 -0.33 0.00 0.00 177.00 174.18 1qty s ILE 29 N 3.35 1.72 0.05 2.83 2.07 0.13 -4.83 121.20 126.52 1qty s ILE 29 Ca 0.64 -1.32 -0.31 0.00 -1.41 0.00 0.00 60.65 58.26 1qty s ILE 29 Cb -0.29 -1.51 -0.08 0.00 0.13 0.00 0.00 42.46 40.71 1qty s ILE 29 CO 0.23 0.14 1.66 -0.70 -1.91 0.00 0.00 174.94 174.37 1qty s GLU 30 N -1.40 4.19 0.04 3.50 2.12 -1.26 -1.01 118.70 124.89 1qty s GLU 30 Ca 0.08 2.32 0.09 0.00 0.36 0.00 0.00 54.97 57.82 1qty s GLU 30 Cb -0.09 -3.66 -0.03 0.00 0.26 0.00 0.00 34.13 30.61 1qty s GLU 30 CO 0.03 -0.75 -0.26 0.99 -0.54 0.00 0.00 175.26 174.73 1qty s THR 31 N 2.86 2.07 -0.49 -1.70 2.01 0.19 -4.91 115.64 115.67 1qty s THR 31 Ca 0.74 -1.35 -0.15 0.00 0.31 0.00 0.00 61.69 61.24 1qty s THR 31 Cb -0.39 -1.77 0.09 0.00 0.01 0.00 0.00 72.50 70.44 1qty s THR 31 CO 0.32 0.35 0.43 -0.76 -0.69 0.00 0.00 174.62 174.27 1qty s LEU 32 N -1.20 5.81 -0.10 4.42 1.43 -1.26 0.54 118.68 128.32 1qty s LEU 32 Ca 0.11 -1.49 -0.15 0.00 -1.03 0.00 0.00 54.13 51.57 1qty s LEU 32 Cb -0.10 -2.19 -0.05 0.00 0.03 0.00 0.00 46.19 43.89 1qty s LEU 32 CO 0.02 -0.72 0.36 -0.69 0.23 0.00 0.00 176.35 175.55 1qty s VAL 33 N 1.62 5.20 -0.07 -1.59 1.01 0.16 -4.82 120.40 121.92 1qty s VAL 33 Ca 0.04 0.71 -0.30 0.00 0.00 0.00 0.00 61.98 62.43 1qty s VAL 33 Cb -0.26 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 1qty s VAL 33 CO 0.05 0.45 1.22 -0.62 0.00 0.00 0.00 175.10 176.20 1qty s ASP 34 N -0.12 7.03 0.56 3.32 3.68 -1.26 0.45 116.67 130.33 1qty s ASP 34 Ca 0.21 1.81 0.26 0.00 2.13 0.00 0.00 52.55 56.96 1qty s ASP 34 Cb -0.15 -2.56 1.49 0.00 -1.45 0.00 0.00 42.92 40.26 1qty s ASP 34 CO 0.08 -0.61 2.03 0.40 0.13 0.00 0.00 175.17 177.21 1qty h ILE 35 N 5.08 0.61 -0.53 4.11 2.04 -0.16 -1.67 117.51 126.98 1qty h ILE 35 Ca -0.33 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.44 1qty h ILE 35 Cb 1.15 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 1qty h ILE 35 CO 0.89 0.00 -0.02 0.15 0.00 0.00 0.00 178.15 179.18 1qty h PHE 36 N 0.00 1.03 -0.72 1.37 3.04 -1.83 -0.15 116.94 119.68 1qty h PHE 36 Ca 0.16 -0.18 0.00 0.00 3.98 0.00 0.00 57.97 61.93 1qty h PHE 36 Cb 0.75 -0.27 -0.04 0.00 2.56 0.00 0.00 35.95 38.96 1qty h PHE 36 CO 0.00 0.95 0.46 1.96 -2.02 0.00 0.00 178.31 179.67 1qty h GLN 37 N 0.81 0.96 -0.50 1.11 4.20 -1.69 0.37 115.11 120.38 1qty h GLN 37 Ca 0.15 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.71 1qty h GLN 37 Cb 0.55 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 1qty h GLN 37 CO 0.03 0.65 -0.01 0.93 -0.67 0.00 0.00 178.83 179.76 1qty h GLU 38 N 0.98 0.89 -2.39 1.46 4.39 -1.46 -3.33 114.58 115.13 1qty h GLU 38 Ca 0.26 -0.29 -0.60 0.00 0.34 0.00 0.00 59.36 59.08 1qty h GLU 38 Cb -0.09 -0.08 -0.41 0.00 -0.10 0.00 0.00 28.75 28.07 1qty h GLU 38 CO -0.05 0.92 -0.67 0.66 -1.16 0.00 0.00 179.01 178.71 1qty n TYR 39 N -4.31 2.81 0.90 4.33 4.01 -0.09 -4.91 117.16 119.90 1qty n TYR 39 Ca 0.01 -4.08 0.00 0.00 -0.16 0.00 0.00 57.90 53.67 1qty n TYR 39 Cb 0.32 -0.51 0.00 0.00 -0.31 0.00 0.00 39.34 38.85 1qty n TYR 39 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1qty n PRO 40 N 1.28 0.90 -0.06 -0.72 -0.04 0.09 -3.12 135.00 133.34 1qty n PRO 40 Ca 0.26 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.65 1qty n PRO 40 Cb 0.41 -1.26 -0.09 0.00 -0.04 0.00 0.00 33.50 32.53 1qty n PRO 40 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1qty n ASP 41 N 0.29 2.33 -3.58 3.54 9.92 -1.26 -4.68 116.55 123.10 1qty n ASP 41 Ca 0.00 -0.03 -0.41 0.00 -0.53 0.00 0.00 54.79 53.83 1qty n ASP 41 Cb 0.33 0.44 0.00 0.00 -0.64 0.00 0.00 41.12 41.26 1qty n ASP 41 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1qty n GLU 42 N -2.61 4.63 0.00 -1.24 1.02 -1.18 -4.63 120.64 116.62 1qty n GLU 42 Ca -0.22 -3.75 0.15 0.00 -0.02 0.00 0.00 57.16 53.33 1qty n GLU 42 Cb 0.85 -2.63 0.90 0.00 -0.02 0.00 0.00 31.44 30.54 1qty n GLU 42 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1qty n ILE 43 N 1.58 0.00 1.22 -3.67 2.08 -1.26 -2.61 119.36 116.70 1qty n ILE 43 Ca 0.55 0.00 0.13 0.00 0.56 0.00 0.00 62.75 63.99 1qty n ILE 43 Cb 0.27 -0.52 0.34 0.00 -0.75 0.00 0.00 39.64 38.98 1qty n ILE 43 CO 0.00 0.00 0.00 -1.84 0.56 0.00 0.00 176.55 175.27 1qty n GLU 44 N -1.03 0.91 -4.24 0.38 0.00 -1.26 -4.89 120.64 110.51 1qty n GLU 44 Ca 0.22 -0.57 -0.24 0.00 0.00 0.00 0.00 57.16 56.58 1qty n GLU 44 Cb 0.12 -1.49 -0.07 0.00 0.00 0.00 0.00 31.44 30.00 1qty n GLU 44 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1qty s TYR 45 N -2.49 2.81 -0.17 -1.84 4.12 -1.07 -4.25 117.35 114.47 1qty s TYR 45 Ca 0.24 -0.18 0.01 0.00 0.02 0.00 0.00 57.07 57.16 1qty s TYR 45 Cb 0.19 -1.28 0.03 0.00 -1.52 0.00 0.00 41.96 39.38 1qty s TYR 45 CO 0.52 0.57 -0.14 0.42 0.02 0.00 0.00 175.55 176.94 1qty s ILE 46 N -2.12 1.67 0.33 2.71 -1.09 -0.49 -4.93 121.20 117.28 1qty s ILE 46 Ca 0.30 -0.78 -0.02 0.00 -2.23 0.00 0.00 60.65 57.92 1qty s ILE 46 Cb -0.07 -1.60 -0.04 0.00 -1.58 0.00 0.00 42.46 39.16 1qty s ILE 46 CO 0.20 0.40 0.56 -0.36 -1.23 0.00 0.00 174.94 174.51 1qty s PHE 47 N 1.43 3.50 -0.22 3.97 0.08 -1.26 -0.15 117.98 125.33 1qty s PHE 47 Ca 0.03 0.50 -0.04 0.00 0.12 0.00 0.00 56.93 57.54 1qty s PHE 47 Cb -0.14 -2.01 0.11 0.00 -0.57 0.00 0.00 43.02 40.42 1qty s PHE 47 CO -0.10 0.12 0.34 0.15 -0.10 0.00 0.00 175.22 175.63 1qty s LYS 48 N -4.00 0.29 0.88 0.44 1.02 0.48 -3.53 119.74 115.32 1qty s LYS 48 Ca 0.42 0.55 -0.12 0.00 0.02 0.00 0.00 55.97 56.84 1qty s LYS 48 Cb -0.10 -0.48 0.12 0.00 -0.52 0.00 0.00 37.83 36.85 1qty s LYS 48 CO 0.34 -0.55 1.13 -1.25 -0.92 0.00 0.00 175.35 174.10 1qty s PRO 49 N 2.49 1.38 0.31 -1.68 0.04 -1.26 -1.32 135.00 134.97 1qty s PRO 49 Ca 0.08 0.34 0.17 0.00 0.04 0.00 0.00 61.00 61.63 1qty s PRO 49 Cb -0.15 -1.86 0.27 0.00 0.04 0.00 0.00 34.50 32.80 1qty s PRO 49 CO -0.14 -2.04 1.54 0.66 0.04 0.00 0.00 177.00 177.06 1qty h SER 50 N -1.38 0.00 -3.87 6.66 4.64 -1.96 -3.46 113.55 114.17 1qty h SER 50 Ca -0.50 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.41 1qty h SER 50 Cb 1.32 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.24 1qty h SER 50 CO 0.62 0.45 -0.75 0.00 -0.87 0.00 0.00 176.83 176.28 1qty s VAL 52 N -2.42 1.16 -0.41 0.00 -7.23 0.17 -4.86 120.40 106.81 1qty s VAL 52 Ca 0.13 -2.05 -0.23 0.00 -1.81 0.00 0.00 61.98 58.01 1qty s VAL 52 Cb -0.03 -1.84 0.02 0.00 0.56 0.00 0.00 36.38 35.09 1qty s VAL 52 CO 0.03 -0.75 0.78 -2.16 -0.31 0.00 0.00 175.10 172.69 1qty s PRO 53 N -3.73 3.56 0.04 4.82 0.04 -1.26 0.40 135.00 138.87 1qty s PRO 53 Ca 0.16 0.07 0.05 0.00 0.04 0.00 0.00 61.00 61.33 1qty s PRO 53 Cb 0.02 -3.88 -0.02 0.00 0.04 0.00 0.00 34.50 30.66 1qty s PRO 53 CO 0.00 -0.99 -0.15 -0.51 0.04 0.00 0.00 177.00 175.39 1qty s LEU 54 N 3.18 2.18 -0.13 -3.56 1.43 0.19 -4.92 118.68 117.04 1qty s LEU 54 Ca 0.30 -0.49 -0.29 0.00 -1.03 0.00 0.00 54.13 52.62 1qty s LEU 54 Cb -0.13 -0.67 -0.02 0.00 0.03 0.00 0.00 46.19 45.41 1qty s LEU 54 CO 0.20 0.05 1.19 -0.04 0.23 0.00 0.00 176.35 177.97 1qty s MET 55 N -1.22 4.29 0.04 1.70 -1.94 -1.26 0.56 119.30 121.47 1qty s MET 55 Ca 0.02 1.60 0.01 0.00 -1.71 0.00 0.00 55.69 55.61 1qty s MET 55 Cb -0.08 -3.66 -0.03 0.00 2.01 0.00 0.00 34.83 33.07 1qty s MET 55 CO 0.02 -0.58 -0.05 1.03 -0.01 0.00 0.00 175.02 175.42 1qty s ARG 56 N 2.91 0.48 0.32 2.03 1.81 -0.18 0.17 118.95 126.49 1qty s ARG 56 Ca 0.53 -0.80 -0.29 0.00 -1.72 0.00 0.00 55.73 53.45 1qty s ARG 56 Cb -0.21 -0.08 -0.10 0.00 -0.45 0.00 0.00 34.95 34.11 1qty s ARG 56 CO 0.16 -0.01 1.37 0.00 -0.68 0.00 0.00 175.30 176.13 1qty s GLY 58 N -0.22 -0.02 0.00 0.00 0.00 -0.70 -4.82 107.32 101.56 1qty s GLY 58 Ca 0.52 -0.35 0.00 0.00 0.00 0.00 0.00 44.72 44.90 1qty s GLY 58 CO 0.52 -0.17 0.00 0.61 0.00 0.00 0.00 173.10 174.06 1qty n GLY 59 N -0.44 0.76 3.82 0.20 0.00 -1.26 -1.13 105.19 107.14 1qty n GLY 59 Ca -0.05 -2.15 -0.23 0.00 0.00 0.00 0.00 46.02 43.59 1qty n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qty n ASN 62 N -1.64 -5.29 -3.17 0.00 3.02 -1.26 -4.95 115.26 101.97 1qty n ASN 62 Ca 0.01 0.10 0.03 0.00 -0.03 0.00 0.00 54.58 54.69 1qty n ASN 62 Cb 0.32 -4.36 -0.01 0.00 -0.61 0.00 0.00 39.78 35.11 1qty n ASN 62 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1qty s ASP 63 N -2.33 -1.31 0.63 6.41 -1.08 -1.26 -5.03 116.67 112.69 1qty s ASP 63 Ca 0.00 0.52 0.14 0.00 -0.52 0.00 0.00 52.55 52.68 1qty s ASP 63 Cb 0.00 2.01 0.48 0.00 -1.46 0.00 0.00 42.92 43.95 1qty s ASP 63 CO 0.00 -0.28 1.16 -0.33 0.52 0.00 0.00 175.17 176.24 1qty h GLU 64 N 8.02 0.00 0.00 4.34 4.39 -2.02 0.97 114.58 130.28 1qty h GLU 64 Ca -0.14 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.54 1qty h GLU 64 Cb 1.17 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1qty h GLU 64 CO 0.22 0.00 -0.46 0.78 -1.16 0.00 0.00 179.01 178.39 1qty h GLY 65 N 0.00 0.00 -4.23 -3.84 0.00 -1.96 -3.46 103.07 89.59 1qty h GLY 65 Ca 0.25 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 47.02 1qty h GLY 65 CO -0.00 0.00 -0.47 1.08 0.00 0.00 0.00 176.54 177.15 1qty s LEU 66 N -5.95 4.34 0.01 3.11 1.43 0.34 -0.47 118.68 121.48 1qty s LEU 66 Ca 0.04 0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.35 1qty s LEU 66 Cb 0.07 -2.94 -0.01 0.00 0.03 0.00 0.00 46.19 43.35 1qty s LEU 66 CO 0.72 0.07 -0.03 -1.83 0.23 0.00 0.00 176.35 175.52 1qty s GLU 67 N -3.08 0.24 -0.42 1.70 -1.05 0.33 -4.76 118.70 111.66 1qty s GLU 67 Ca 0.35 -0.27 -0.27 0.00 -0.15 0.00 0.00 54.97 54.63 1qty s GLU 67 Cb -0.11 -0.12 0.02 0.00 -0.44 0.00 0.00 34.13 33.48 1qty s GLU 67 CO 0.28 0.03 1.00 0.00 0.95 0.00 0.00 175.26 177.52 1qty s VAL 69 N 3.84 1.35 0.10 0.00 -7.23 -0.17 -4.84 120.40 113.45 1qty s VAL 69 Ca 0.41 -2.11 -0.30 0.00 -1.81 0.00 0.00 61.98 58.17 1qty s VAL 69 Cb -0.10 -1.91 -0.06 0.00 0.56 0.00 0.00 36.38 34.87 1qty s VAL 69 CO 0.24 -0.70 1.07 -2.16 -0.31 0.00 0.00 175.10 173.24 1qty s PRO 70 N -3.72 4.58 0.00 4.82 0.04 -1.26 0.42 135.00 139.88 1qty s PRO 70 Ca 0.19 1.61 0.07 0.00 0.04 0.00 0.00 61.00 62.91 1qty s PRO 70 Cb 0.02 -3.35 0.09 0.00 0.04 0.00 0.00 34.50 31.29 1qty s PRO 70 CO 0.03 0.01 0.82 0.25 0.04 0.00 0.00 177.00 178.15 1qty n THR 71 N 3.10 0.21 -3.65 1.26 -2.24 0.26 -4.90 114.28 108.33 1qty n THR 71 Ca 0.05 -0.60 -0.09 0.00 -2.27 0.00 0.00 64.05 61.13 1qty n THR 71 Cb 0.48 1.02 -0.08 0.00 -2.10 0.00 0.00 70.33 69.65 1qty n THR 71 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1qty s GLU 72 N -0.69 0.68 0.42 -0.78 2.12 -1.21 -4.92 118.70 114.32 1qty s GLU 72 Ca 0.10 1.10 0.04 0.00 0.36 0.00 0.00 54.97 56.56 1qty s GLU 72 Cb 0.06 0.17 -0.02 0.00 0.26 0.00 0.00 34.13 34.60 1qty s GLU 72 CO 0.09 -0.14 0.13 -1.21 -0.54 0.00 0.00 175.26 173.60 1qty s GLU 73 N 1.31 1.97 -0.01 4.30 2.02 -1.26 -0.86 118.70 126.17 1qty s GLU 73 Ca -0.08 -2.21 -0.30 0.00 0.02 0.00 0.00 54.97 52.40 1qty s GLU 73 Cb -0.05 -0.64 0.11 0.00 0.10 0.00 0.00 34.13 33.65 1qty s GLU 73 CO -0.14 -0.50 1.19 -1.54 0.02 0.00 0.00 175.26 174.29 1qty s SER 74 N -3.63 -0.11 0.24 -0.19 1.04 -1.05 -4.80 113.70 105.19 1qty s SER 74 Ca 0.22 -0.16 0.10 0.00 0.48 0.00 0.00 55.95 56.59 1qty s SER 74 Cb 0.02 0.23 -0.04 0.00 0.10 0.00 0.00 66.02 66.33 1qty s SER 74 CO 0.14 -0.42 -0.09 0.20 0.98 0.00 0.00 173.24 174.04 1qty s ASN 75 N -2.82 4.16 -0.00 7.02 0.01 -1.26 -1.31 114.94 120.74 1qty s ASN 75 Ca 0.13 -0.72 0.01 0.00 -0.71 0.00 0.00 52.86 51.56 1qty s ASN 75 Cb 0.02 -0.64 -0.00 0.00 0.41 0.00 0.00 41.25 41.04 1qty s ASN 75 CO -0.03 0.05 -0.03 -0.51 -1.51 0.00 0.00 177.10 175.07 1qty s ILE 76 N -2.11 0.26 -0.14 0.60 2.07 -0.29 -4.93 121.20 116.66 1qty s ILE 76 Ca 0.28 -0.13 -0.00 0.00 -1.41 0.00 0.00 60.65 59.38 1qty s ILE 76 Cb -0.07 -0.23 -0.01 0.00 0.13 0.00 0.00 42.46 42.28 1qty s ILE 76 CO 0.17 0.08 -0.13 -0.89 -1.91 0.00 0.00 174.94 172.26 1qty s THR 77 N -0.03 3.04 0.20 4.00 2.01 -1.26 0.50 115.64 124.09 1qty s THR 77 Ca 0.01 -0.66 0.07 0.00 0.31 0.00 0.00 61.69 61.42 1qty s THR 77 Cb -0.02 -2.28 -0.05 0.00 0.01 0.00 0.00 72.50 70.16 1qty s THR 77 CO -0.00 0.52 -0.14 -0.04 -0.69 0.00 0.00 174.62 174.26 1qty s MET 78 N 0.48 1.30 -0.61 4.92 1.00 0.19 -4.91 119.30 121.66 1qty s MET 78 Ca -0.09 -1.56 -0.26 0.00 0.00 0.00 0.00 55.69 53.77 1qty s MET 78 Cb -0.16 -1.09 0.04 0.00 0.00 0.00 0.00 34.83 33.62 1qty s MET 78 CO 0.04 0.18 1.12 -0.65 0.00 0.00 0.00 175.02 175.71 1qty s GLN 79 N -3.60 3.35 -0.03 2.03 -0.21 -1.26 0.30 119.66 120.24 1qty s GLN 79 Ca 0.21 -0.12 0.02 0.00 0.02 0.00 0.00 55.36 55.50 1qty s GLN 79 Cb -0.01 -4.08 -0.03 0.00 1.00 0.00 0.00 33.01 29.89 1qty s GLN 79 CO 0.06 -1.74 -0.06 0.42 -2.12 0.00 0.00 175.29 171.85 1qty s ILE 80 N 4.75 3.70 -0.23 1.08 -1.09 0.21 -4.90 121.20 124.71 1qty s ILE 80 Ca 0.35 -0.63 -0.14 0.00 -2.23 0.00 0.00 60.65 58.01 1qty s ILE 80 Cb -0.10 -2.56 -0.04 0.00 -1.58 0.00 0.00 42.46 38.17 1qty s ILE 80 CO 0.20 0.49 0.31 -0.32 -1.23 0.00 0.00 174.94 174.38 1qty s MET 81 N -1.14 4.11 -0.15 2.79 -2.45 -0.44 0.96 119.30 122.98 1qty s MET 81 Ca 0.15 -0.00 -0.02 0.00 -1.25 0.00 0.00 55.69 54.56 1qty s MET 81 Cb -0.11 -3.56 -0.02 0.00 1.25 0.00 0.00 34.83 32.39 1qty s MET 81 CO 0.05 -0.05 -0.07 1.03 1.05 0.00 0.00 175.02 177.03 1qty s ARG 82 N 1.35 3.54 -0.21 4.11 0.52 0.93 -0.38 118.95 128.81 1qty s ARG 82 Ca 0.14 -0.59 -0.04 0.00 -0.52 0.00 0.00 55.73 54.72 1qty s ARG 82 Cb -0.14 -2.83 -0.02 0.00 0.52 0.00 0.00 34.95 32.48 1qty s ARG 82 CO 0.07 0.18 -0.02 0.42 0.02 0.00 0.00 175.30 175.97 1qty s ILE 83 N 0.48 3.64 -0.12 1.52 1.01 0.79 -0.97 121.20 127.55 1qty s ILE 83 Ca -0.05 -0.41 -0.20 0.00 0.00 0.00 0.00 60.65 59.99 1qty s ILE 83 Cb -0.15 -2.65 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 1qty s ILE 83 CO 0.03 0.42 0.55 -0.75 0.00 0.00 0.00 174.94 175.19 1qty s LYS 84 N 1.26 4.33 -0.44 2.79 2.47 -0.86 -1.39 119.74 127.90 1qty s LYS 84 Ca 0.03 0.56 -0.42 0.00 -1.56 0.00 0.00 55.97 54.58 1qty s LYS 84 Cb -0.14 -3.47 -0.17 0.00 -1.46 0.00 0.00 37.83 32.59 1qty s LYS 84 CO -0.00 0.06 2.05 -0.35 0.16 0.00 0.00 175.35 177.27 1qty n PRO 85 N 3.96 0.41 0.00 4.03 -0.04 -1.26 -2.10 135.00 140.00 1qty n PRO 85 Ca -0.05 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1qty n PRO 85 Cb 0.51 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 1qty n PRO 85 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1qty n HIS 86 N 7.48 0.00 -3.60 0.54 8.25 -1.26 -4.88 115.22 121.75 1qty n HIS 86 Ca 0.45 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.59 1qty n HIS 86 Cb 0.05 -0.13 -0.07 0.00 1.12 0.00 0.00 29.99 30.95 1qty n HIS 86 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1qty n GLN 87 N -0.98 2.59 -1.09 -0.41 10.64 -0.89 -5.06 117.38 122.19 1qty n GLN 87 Ca 0.00 -4.54 0.15 0.00 -1.83 0.00 0.00 57.00 50.78 1qty n GLN 87 Cb 0.00 -2.36 -0.04 0.00 -0.86 0.00 0.00 30.24 26.99 1qty n GLN 87 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1qty n GLY 88 N 1.79 -1.86 3.46 2.61 0.00 -1.26 -4.58 105.19 105.35 1qty n GLY 88 Ca 0.24 -1.20 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 1qty n GLY 88 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qty s GLN 89 N -1.81 0.56 0.31 1.61 1.11 -1.26 -2.03 119.66 118.15 1qty s GLN 89 Ca 0.00 1.01 0.10 0.00 0.01 0.00 0.00 55.36 56.48 1qty s GLN 89 Cb 0.00 0.07 -0.06 0.00 -1.01 0.00 0.00 33.01 32.01 1qty s GLN 89 CO 0.00 -0.15 -0.12 -3.38 0.01 0.00 0.00 175.29 171.65 1qty s HIS 90 N 1.49 2.29 -0.57 0.91 -3.43 -0.14 -4.94 115.29 110.89 1qty s HIS 90 Ca -0.09 -0.48 -0.22 0.00 -0.80 0.00 0.00 55.06 53.47 1qty s HIS 90 Cb -0.07 -1.21 0.06 0.00 -1.43 0.00 0.00 32.58 29.93 1qty s HIS 90 CO -0.16 0.58 0.83 0.42 -2.00 0.00 0.00 174.74 174.40 1qty s ILE 91 N -2.65 4.56 0.09 -5.38 -1.09 -1.26 -0.05 121.20 115.43 1qty s ILE 91 Ca 0.31 -0.28 -0.02 0.00 -2.23 0.00 0.00 60.65 58.43 1qty s ILE 91 Cb 0.00 -4.51 -0.05 0.00 -1.58 0.00 0.00 42.46 36.33 1qty s ILE 91 CO 0.15 -1.12 0.29 -0.83 -1.23 0.00 0.00 174.94 172.19 1qty s GLY 92 N 3.13 2.21 -0.32 6.18 0.00 0.27 -4.88 107.32 113.91 1qty s GLY 92 Ca 0.21 -0.70 -0.17 0.00 0.00 0.00 0.00 44.72 44.06 1qty s GLY 92 CO 0.13 -0.65 0.44 -0.54 0.00 0.00 0.00 173.10 172.48 1qty s GLU 93 N -2.54 3.72 0.01 2.90 2.02 -1.26 0.66 118.70 124.21 1qty s GLU 93 Ca 0.37 -0.15 0.03 0.00 0.02 0.00 0.00 54.97 55.24 1qty s GLU 93 Cb -0.13 -3.76 -0.03 0.00 0.10 0.00 0.00 34.13 30.31 1qty s GLU 93 CO 0.26 -0.51 -0.06 -1.64 0.02 0.00 0.00 175.26 173.33 1qty s MET 94 N 2.21 2.55 -0.15 1.61 -1.94 0.15 -4.90 119.30 118.83 1qty s MET 94 Ca 0.16 -0.73 -0.06 0.00 -1.71 0.00 0.00 55.69 53.35 1qty s MET 94 Cb -0.16 -2.51 -0.04 0.00 2.01 0.00 0.00 34.83 34.13 1qty s MET 94 CO 0.12 0.60 0.06 0.45 -0.01 0.00 0.00 175.02 176.23 1qty s SER 95 N -1.49 5.65 0.13 3.03 0.15 -1.26 0.57 113.70 120.47 1qty s SER 95 Ca 0.18 0.15 0.06 0.00 0.70 0.00 0.00 55.95 57.04 1qty s SER 95 Cb -0.11 -1.87 -0.04 0.00 -1.71 0.00 0.00 66.02 62.29 1qty s SER 95 CO 0.08 0.26 -0.14 -0.36 1.20 0.00 0.00 173.24 174.28 1qty s PHE 96 N -0.12 1.44 0.00 3.44 0.08 0.18 -4.94 117.98 118.06 1qty s PHE 96 Ca 0.07 -0.55 -0.25 0.00 0.12 0.00 0.00 56.93 56.32 1qty s PHE 96 Cb -0.12 -0.75 -0.05 0.00 -0.57 0.00 0.00 43.02 41.53 1qty s PHE 96 CO 0.01 0.16 0.77 -1.17 -0.10 0.00 0.00 175.22 174.89 1qty s LEU 97 N -2.49 4.40 0.09 -0.37 2.96 -1.26 -1.14 118.68 120.87 1qty s LEU 97 Ca 0.10 1.39 0.08 0.00 -0.22 0.00 0.00 54.13 55.48 1qty s LEU 97 Cb -0.05 -3.22 -0.03 0.00 0.50 0.00 0.00 46.19 43.39 1qty s LEU 97 CO 0.03 -0.06 -0.22 -1.10 -1.32 0.00 0.00 176.35 173.69 1qty s GLN 98 N 0.34 1.20 -0.32 1.98 -0.21 -0.43 -4.78 119.66 117.45 1qty s GLN 98 Ca 0.40 -1.14 -0.10 0.00 0.02 0.00 0.00 55.36 54.54 1qty s GLN 98 Cb -0.20 -1.46 0.00 0.00 1.00 0.00 0.00 33.01 32.35 1qty s GLN 98 CO 0.22 0.35 0.16 -1.01 -2.12 0.00 0.00 175.29 172.88 1qty s HIS 99 N -1.09 3.19 0.04 0.91 3.76 0.13 -2.54 115.29 119.69 1qty s HIS 99 Ca 0.07 -0.67 0.07 0.00 -0.15 0.00 0.00 55.06 54.39 1qty s HIS 99 Cb -0.10 -2.36 -0.23 0.00 1.11 0.00 0.00 32.58 31.00 1qty s HIS 99 CO 0.04 -0.50 0.99 -0.91 -0.85 0.00 0.00 174.74 173.51 1qty h ASN 100 N 8.36 0.06 -3.52 1.40 4.21 -1.31 -3.40 115.58 121.38 1qty h ASN 100 Ca -0.31 -0.09 -0.23 0.00 1.21 0.00 0.00 56.30 56.89 1qty h ASN 100 Cb 1.14 -0.02 -0.30 0.00 -1.12 0.00 0.00 38.32 38.01 1qty h ASN 100 CO 0.62 1.07 -0.58 -0.54 -1.29 0.00 0.00 177.43 176.72 1qty s LYS 101 N -2.65 0.12 0.22 0.81 1.02 -1.15 -4.87 119.74 113.24 1qty s LYS 101 Ca -0.03 0.33 0.10 0.00 0.02 0.00 0.00 55.97 56.40 1qty s LYS 101 Cb 0.09 -0.11 -0.04 0.00 -0.52 0.00 0.00 37.83 37.25 1qty s LYS 101 CO 0.83 -0.13 -0.13 0.00 -0.92 0.00 0.00 175.35 175.00 1qty s GLU 103 N -3.09 0.58 -0.14 0.00 2.12 0.17 -4.82 118.70 113.51 1qty s GLU 103 Ca 0.26 0.40 -0.28 0.00 0.36 0.00 0.00 54.97 55.71 1qty s GLU 103 Cb -0.07 0.28 -0.01 0.00 0.26 0.00 0.00 34.13 34.59 1qty s GLU 103 CO 0.15 -0.11 0.97 0.00 -0.54 0.00 0.00 175.26 175.73 1qty s ARG 105 N 2.26 1.28 0.09 0.00 1.81 0.55 -4.88 118.95 120.07 1qty s ARG 105 Ca 0.45 -1.67 -0.31 0.00 -1.72 0.00 0.00 55.73 52.48 1qty s ARG 105 Cb -0.17 -0.20 -0.07 0.00 -0.45 0.00 0.00 34.95 34.06 1qty s ARG 105 CO 0.14 -0.25 1.27 -2.14 -0.68 0.00 0.00 175.30 173.64 1qty s PRO 106 N -4.01 4.40 0.00 3.54 0.02 -1.26 0.12 135.00 137.81 1qty s PRO 106 Ca 0.33 1.89 0.05 0.00 0.02 0.00 0.00 61.00 63.29 1qty s PRO 106 Cb 0.07 -3.30 0.29 0.00 0.02 0.00 0.00 34.50 31.58 1qty s PRO 106 CO 0.10 -0.31 0.76 1.63 -0.33 0.00 0.00 177.00 178.86