#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0a n GLY 0 N 0.00 3.13 0.00 -0.02 0.00 -1.26 -4.84 105.19 102.20 2k0a n GLY 0 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2k0a n GLY 0 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k0a n SER 1 N 9.86 1.63 -3.63 1.61 2.88 -1.26 -5.19 113.62 119.52 2k0a n SER 1 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 2k0a n SER 1 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 2k0a n SER 1 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2k0a s SER 2 N 1.83 -0.27 -0.43 -3.46 0.01 -1.26 -5.09 113.70 105.04 2k0a s SER 2 Ca 0.00 -0.22 -0.27 0.00 1.31 0.00 0.00 55.95 56.77 2k0a s SER 2 Cb 0.00 0.47 -0.05 0.00 0.21 0.00 0.00 66.02 66.66 2k0a s SER 2 CO 0.00 -0.82 2.14 0.00 0.41 0.00 0.00 173.24 174.98 2k0a s ARG 3 N -3.50 2.66 0.00 12.44 1.70 -1.26 -3.43 118.95 127.56 2k0a s ARG 3 Ca 0.01 1.39 0.00 0.00 -0.47 0.00 0.00 55.73 56.65 2k0a s ARG 3 Cb 0.01 -4.43 0.00 0.00 -0.57 0.00 0.00 34.95 29.96 2k0a s ARG 3 CO -0.10 -2.65 0.00 0.72 -1.08 0.00 0.00 175.30 172.19 2k0a n HIS 4 N 13.30 -0.03 -0.89 5.89 8.25 -1.26 -5.12 115.22 135.35 2k0a n HIS 4 Ca 0.29 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.44 2k0a n HIS 4 Cb 0.51 0.01 0.14 0.00 1.12 0.00 0.00 29.99 31.77 2k0a n HIS 4 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2k0a s GLN 5 N -1.08 1.37 0.00 -0.41 2.00 -1.22 -5.05 119.66 115.27 2k0a s GLN 5 Ca 0.00 1.38 0.00 0.00 -2.00 0.00 0.00 55.36 54.74 2k0a s GLN 5 Cb 0.00 -1.78 0.00 0.00 0.80 0.00 0.00 33.01 32.03 2k0a s GLN 5 CO 0.00 -2.33 0.00 1.19 -0.50 0.00 0.00 175.29 173.65 2k0a n PHE 6 N -4.01 0.00 -2.47 1.67 3.72 -1.26 -4.98 117.46 110.13 2k0a n PHE 6 Ca 0.10 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.43 2k0a n PHE 6 Cb 0.53 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.11 2k0a n PHE 6 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2k0a n ASP 7 N 0.00 2.64 -3.10 4.37 8.00 -1.26 -4.87 116.55 122.33 2k0a n ASP 7 Ca 0.00 -2.70 -0.35 0.00 0.71 0.00 0.00 54.79 52.45 2k0a n ASP 7 Cb 0.00 -0.42 -0.02 0.00 -0.02 0.00 0.00 41.12 40.66 2k0a n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k0a n LEU 8 N -0.57 7.40 -4.57 0.64 -0.00 -1.26 -4.83 117.00 113.80 2k0a n LEU 8 Ca 0.20 -4.61 -0.40 0.00 -0.00 0.00 0.00 56.01 51.20 2k0a n LEU 8 Cb 0.88 -1.29 -0.01 0.00 -0.00 0.00 0.00 43.42 43.00 2k0a n LEU 8 CO 0.16 1.93 1.89 -0.38 -0.00 0.00 0.00 177.39 180.99 2k0a n ILE 9 N 1.21 3.55 -3.78 1.47 -0.00 -1.26 -4.90 119.36 115.65 2k0a n ILE 9 Ca 0.56 -3.69 -0.22 0.00 -0.00 0.00 0.00 62.75 59.40 2k0a n ILE 9 Cb 0.36 -2.32 -0.05 0.00 -0.00 0.00 0.00 39.64 37.64 2k0a n ILE 9 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2k0a s MET 10 N 4.67 2.43 0.12 0.38 0.23 -1.26 -2.74 119.30 123.12 2k0a s MET 10 Ca 0.57 -1.64 -0.25 0.00 -1.03 0.00 0.00 55.69 53.34 2k0a s MET 10 Cb 0.03 -2.24 -0.05 0.00 -1.53 0.00 0.00 34.83 31.05 2k0a s MET 10 CO 0.09 -0.15 1.64 0.00 -2.03 0.00 0.00 175.02 174.57 2k0a n LEU 12 N -5.37 -0.99 0.00 0.00 4.32 0.20 -4.93 117.00 110.23 2k0a n LEU 12 Ca -0.05 -1.27 0.00 0.00 -0.02 0.00 0.00 56.01 54.67 2k0a n LEU 12 Cb 0.28 -1.61 0.00 0.00 -1.62 0.00 0.00 43.42 40.47 2k0a n LEU 12 CO 0.22 0.45 0.00 0.29 -1.22 0.00 0.00 177.39 177.12 2k0a n LYS 13 N -4.55 3.57 -3.64 3.23 5.02 -1.26 -4.76 118.16 115.77 2k0a n LYS 13 Ca -0.30 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.62 2k0a n LYS 13 Cb 0.68 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.59 2k0a n LYS 13 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2k0a s GLN 14 N 2.35 4.00 0.20 1.97 2.00 -1.26 -4.07 119.66 124.85 2k0a s GLN 14 Ca 0.00 -0.30 -0.33 0.00 -2.00 0.00 0.00 55.36 52.73 2k0a s GLN 14 Cb 0.00 -3.58 -0.14 0.00 0.80 0.00 0.00 33.01 30.09 2k0a s GLN 14 CO 0.00 -0.06 1.44 -2.30 -0.50 0.00 0.00 175.29 173.87 2k0a n PRO 15 N 4.66 1.93 -0.03 1.67 -0.02 -1.26 -0.48 135.00 141.47 2k0a n PRO 15 Ca -0.15 0.69 -0.01 0.00 -2.02 0.00 0.00 63.50 62.02 2k0a n PRO 15 Cb 0.52 -2.37 -0.00 0.00 -0.02 0.00 0.00 33.50 31.63 2k0a n PRO 15 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2k0a h GLY 16 N 4.70 0.00 0.00 -1.23 0.00 -0.17 -3.40 103.07 102.98 2k0a h GLY 16 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2k0a h GLY 16 CO 0.79 0.00 0.00 1.55 0.00 0.00 0.00 176.54 178.88 2k0a n VAL 17 N -3.78 0.00 -2.34 4.60 3.14 -1.26 -4.89 118.33 113.81 2k0a n VAL 17 Ca -0.01 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.00 2k0a n VAL 17 Cb 0.03 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.79 2k0a n VAL 17 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2k0a s GLN 18 N -1.42 3.94 0.23 1.45 -2.07 -1.26 -4.88 119.66 115.64 2k0a s GLN 18 Ca 0.00 1.73 -0.30 0.00 -1.82 0.00 0.00 55.36 54.97 2k0a s GLN 18 Cb 0.00 -2.51 -0.09 0.00 -1.09 0.00 0.00 33.01 29.32 2k0a s GLN 18 CO 0.00 -0.39 0.97 0.99 -1.32 0.00 0.00 175.29 175.54 2k0a s THR 19 N -1.54 4.03 0.06 3.63 2.01 -1.26 -1.82 115.64 120.76 2k0a s THR 19 Ca 0.60 1.98 -0.31 0.00 0.31 0.00 0.00 61.69 64.28 2k0a s THR 19 Cb -0.28 -4.26 -0.06 0.00 0.01 0.00 0.00 72.50 67.91 2k0a s THR 19 CO 0.34 0.44 1.26 -0.83 -0.69 0.00 0.00 174.62 175.15 2k0a s GLY 20 N -0.93 2.24 -0.07 4.40 0.00 0.16 -4.75 107.32 108.37 2k0a s GLY 20 Ca 0.43 0.91 -0.05 0.00 0.00 0.00 0.00 44.72 46.01 2k0a s GLY 20 CO 0.33 2.16 0.16 1.08 0.00 0.00 0.00 173.10 176.83 2k0a s LEU 21 N 1.23 4.37 -0.12 0.66 1.43 -1.26 -0.20 118.68 124.78 2k0a s LEU 21 Ca 0.60 0.41 -0.03 0.00 -1.03 0.00 0.00 54.13 54.08 2k0a s LEU 21 Cb -0.31 -2.31 -0.03 0.00 0.03 0.00 0.00 46.19 43.57 2k0a s LEU 21 CO 0.29 0.34 -0.01 -0.76 0.23 0.00 0.00 176.35 176.44 2k0a s LEU 22 N -1.44 3.46 0.53 1.79 1.43 0.28 -2.09 118.68 122.65 2k0a s LEU 22 Ca 0.20 0.03 -0.19 0.00 -1.03 0.00 0.00 54.13 53.14 2k0a s LEU 22 Cb -0.12 -1.82 -0.06 0.00 0.03 0.00 0.00 46.19 44.22 2k0a s LEU 22 CO 0.11 0.27 1.08 0.00 0.23 0.00 0.00 176.35 178.04 2k0a h GLU 24 N 1.16 0.04 0.00 0.00 5.08 -1.96 0.31 114.58 119.22 2k0a h GLU 24 Ca -0.49 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.84 2k0a h GLU 24 Cb 1.24 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 2k0a h GLU 24 CO 0.58 0.03 -0.12 0.87 -1.00 0.00 0.00 179.01 179.37 2k0a h LYS 25 N 0.04 0.00 -0.02 2.33 1.57 -1.97 -2.75 116.57 115.78 2k0a h LYS 25 Ca 0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 2k0a h LYS 25 Cb 1.81 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.12 2k0a h LYS 25 CO -0.03 0.12 0.00 0.00 -0.57 0.00 0.00 179.45 178.97 2k0a n ASP 27 N 0.24 3.01 0.00 0.00 2.03 0.70 -2.45 116.55 120.08 2k0a n ASP 27 Ca 0.03 1.16 0.00 0.00 0.52 0.00 0.00 54.79 56.50 2k0a n ASP 27 Cb 0.14 -1.48 0.00 0.00 -0.72 0.00 0.00 41.12 39.05 2k0a n ASP 27 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k0a n GLY 28 N 1.72 2.93 3.70 0.27 0.00 -1.26 -5.02 105.19 107.53 2k0a n GLY 28 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2k0a n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k0a s LYS 29 N -0.10 4.39 -0.16 1.61 1.02 -1.03 -4.50 119.74 120.98 2k0a s LYS 29 Ca 0.00 1.76 -0.29 0.00 0.02 0.00 0.00 55.97 57.46 2k0a s LYS 29 Cb 0.00 -3.43 -0.04 0.00 -0.52 0.00 0.00 37.83 33.84 2k0a s LYS 29 CO 0.00 -0.35 1.77 0.00 -0.92 0.00 0.00 175.35 175.85 2k0a h PRO 31 N 11.24 0.00 -0.56 0.00 0.13 -1.91 0.71 132.00 141.61 2k0a h PRO 31 Ca -0.38 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.70 2k0a h PRO 31 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2k0a h PRO 31 CO 0.98 0.00 0.14 0.82 -0.23 0.00 0.00 178.00 179.72 2k0a h ILE 32 N 0.00 1.24 0.00 -3.56 1.08 -1.93 -3.38 117.51 110.97 2k0a h ILE 32 Ca 0.19 -0.87 0.00 0.00 -0.39 0.00 0.00 64.86 63.80 2k0a h ILE 32 Cb 0.83 0.74 0.00 0.00 -3.07 0.00 0.00 36.82 35.31 2k0a h ILE 32 CO -0.00 0.32 -0.10 0.00 -0.69 0.00 0.00 178.15 177.67 2k0a n ASP 34 N -0.62 -4.78 -3.70 0.00 8.00 0.24 -5.00 116.55 110.69 2k0a n ASP 34 Ca 0.00 -0.50 -0.14 0.00 0.71 0.00 0.00 54.79 54.86 2k0a n ASP 34 Cb 0.00 -3.89 -0.09 0.00 -0.02 0.00 0.00 41.12 37.12 2k0a n ASP 34 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2k0a s SER 35 N -3.40 -0.51 -0.31 -2.24 0.15 -1.25 -4.87 113.70 101.27 2k0a s SER 35 Ca 0.27 0.92 0.01 0.00 0.70 0.00 0.00 55.95 57.85 2k0a s SER 35 Cb -0.04 0.94 0.32 0.00 -1.71 0.00 0.00 66.02 65.54 2k0a s SER 35 CO 0.53 -0.22 1.76 -1.22 1.20 0.00 0.00 173.24 175.29 2k0a n TYR 36 N 2.58 1.79 -2.36 3.44 4.02 -1.26 -2.27 117.16 123.10 2k0a n TYR 36 Ca -0.14 -1.69 -0.43 0.00 -0.01 0.00 0.00 57.90 55.63 2k0a n TYR 36 Cb 0.56 -0.84 0.00 0.00 -0.02 0.00 0.00 39.34 39.05 2k0a n TYR 36 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 176.86 177.40 2k0a n VAL 37 N -0.16 3.86 -2.71 -0.72 3.14 -1.26 -4.65 118.33 115.83 2k0a n VAL 37 Ca 0.35 -3.88 -0.01 0.00 -2.96 0.00 0.00 64.34 57.84 2k0a n VAL 37 Cb 0.89 -2.44 -0.01 0.00 -1.06 0.00 0.00 33.84 31.23 2k0a n VAL 37 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2k0a n ARG 38 N 7.12 -3.66 -1.88 1.45 1.74 -1.26 -2.19 116.66 117.98 2k0a n ARG 38 Ca 0.48 2.89 -0.39 0.00 -0.77 0.00 0.00 57.85 60.06 2k0a n ARG 38 Cb 0.43 -5.32 0.02 0.00 -1.02 0.00 0.00 32.46 26.58 2k0a n ARG 38 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2k0a s PRO 39 N -1.49 3.42 0.02 5.56 0.04 -1.26 0.14 135.00 141.44 2k0a s PRO 39 Ca -0.04 2.20 0.00 0.00 0.04 0.00 0.00 61.00 63.20 2k0a s PRO 39 Cb 0.00 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 32.13 2k0a s PRO 39 CO 0.78 -0.95 0.00 1.17 0.04 0.00 0.00 177.00 178.04 2k0a n LYS 40 N -0.66 0.00 -4.39 4.56 4.81 0.67 -4.75 118.16 118.40 2k0a n LYS 40 Ca 0.08 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.33 2k0a n LYS 40 Cb 0.45 -0.19 -0.15 0.00 0.02 0.00 0.00 35.03 35.16 2k0a n LYS 40 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 2k0a s ARG 41 N -2.00 0.79 0.26 1.64 3.52 -1.11 -4.94 118.95 117.12 2k0a s ARG 41 Ca 0.00 -0.40 -0.30 0.00 -0.13 0.00 0.00 55.73 54.91 2k0a s ARG 41 Cb 0.00 -0.76 -0.10 0.00 -1.56 0.00 0.00 34.95 32.53 2k0a s ARG 41 CO 0.00 0.21 1.39 0.15 -0.81 0.00 0.00 175.30 176.23 2k0a s LYS 42 N -0.35 4.31 0.00 5.12 1.02 -1.26 0.62 119.74 129.20 2k0a s LYS 42 Ca 0.03 2.24 -0.24 0.00 0.02 0.00 0.00 55.97 58.03 2k0a s LYS 42 Cb -0.04 -3.11 -0.05 0.00 -0.52 0.00 0.00 37.83 34.11 2k0a s LYS 42 CO -0.00 -0.34 0.72 0.08 -0.92 0.00 0.00 175.35 174.89 2k0a s VAL 43 N -0.26 4.87 -0.17 3.17 1.01 0.23 -4.81 120.40 124.43 2k0a s VAL 43 Ca 0.56 1.52 -0.04 0.00 0.00 0.00 0.00 61.98 64.03 2k0a s VAL 43 Cb -0.41 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 31.88 2k0a s VAL 43 CO 0.45 0.33 -0.03 -0.13 0.00 0.00 0.00 175.10 175.72 2k0a s ARG 44 N 0.23 3.63 0.57 2.72 0.52 -1.26 0.40 118.95 125.75 2k0a s ARG 44 Ca 0.37 -0.53 -0.15 0.00 -0.52 0.00 0.00 55.73 54.90 2k0a s ARG 44 Cb -0.19 -2.95 -0.05 0.00 0.52 0.00 0.00 34.95 32.28 2k0a s ARG 44 CO 0.21 0.16 1.03 0.14 0.02 0.00 0.00 175.30 176.85 2k0a s VAL 45 N 0.59 4.20 0.93 3.52 -7.23 -0.75 -3.98 120.40 117.67 2k0a s VAL 45 Ca -0.02 0.99 -0.11 0.00 -1.81 0.00 0.00 61.98 61.03 2k0a s VAL 45 Cb -0.14 -3.56 0.15 0.00 0.56 0.00 0.00 36.38 33.38 2k0a s VAL 45 CO 0.02 -0.66 1.09 0.00 -0.31 0.00 0.00 175.10 175.25 2k0a h GLU 47 N -1.74 -0.08 -0.57 0.00 4.81 -0.99 -2.46 114.58 113.56 2k0a h GLU 47 Ca -0.49 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 58.81 2k0a h GLU 47 Cb 1.28 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.62 2k0a h GLU 47 CO 0.51 -0.05 0.25 -0.91 -0.73 0.00 0.00 179.01 178.08 2k0a h ASN 48 N -0.08 0.32 0.86 1.04 2.35 -1.92 -1.81 115.58 116.34 2k0a h ASN 48 Ca 0.10 0.05 -0.05 0.00 -0.55 0.00 0.00 56.30 55.86 2k0a h ASN 48 Cb 0.24 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 2k0a h ASN 48 CO -0.24 0.21 -0.22 0.00 -1.65 0.00 0.00 177.43 175.53 2k0a h SER 50 N 0.00 0.77 0.24 0.00 4.64 -0.87 -3.36 113.55 114.97 2k0a h SER 50 Ca -0.00 -0.75 -0.21 0.00 -0.47 0.00 0.00 61.79 60.36 2k0a h SER 50 Cb 0.71 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 62.52 2k0a h SER 50 CO 0.03 1.57 -1.96 2.22 -0.87 0.00 0.00 176.83 177.82 2k0a n PHE 51 N -3.72 0.34 -1.23 4.77 1.16 -1.02 -4.60 117.46 113.16 2k0a n PHE 51 Ca -0.13 0.11 -0.22 0.00 -1.87 0.00 0.00 57.45 55.34 2k0a n PHE 51 Cb 1.02 -0.90 -0.11 0.00 -1.61 0.00 0.00 39.48 37.88 2k0a n PHE 51 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2k0a n GLY 52 N 1.50 3.67 0.94 4.97 0.00 0.13 -4.96 105.19 111.44 2k0a n GLY 52 Ca -0.18 -1.46 0.12 0.00 0.00 0.00 0.00 46.02 44.51 2k0a n GLY 52 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2k0a n LYS 53 N 2.36 -1.85 -3.49 1.61 2.85 -1.26 -4.77 118.16 113.61 2k0a n LYS 53 Ca 0.53 1.25 -0.22 0.00 -1.05 0.00 0.00 58.31 58.81 2k0a n LYS 53 Cb 0.66 -2.28 -0.03 0.00 -0.65 0.00 0.00 35.03 32.74 2k0a n LYS 53 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2k0a n GLN 54 N -2.94 -2.24 -0.10 -1.58 10.64 -1.26 -4.80 117.38 115.09 2k0a n GLN 54 Ca 0.00 0.19 -0.11 0.00 -1.83 0.00 0.00 57.00 55.25 2k0a n GLN 54 Cb 0.61 -4.78 0.03 0.00 -0.86 0.00 0.00 30.24 25.24 2k0a n GLN 54 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2k0a h ALA 55 N 0.94 0.71 0.00 2.61 0.00 -1.85 -2.70 119.26 118.97 2k0a h ALA 55 Ca -0.34 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.15 2k0a h ALA 55 Cb 1.23 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2k0a h ALA 55 CO 0.48 0.66 0.00 -0.22 0.00 0.00 0.00 179.25 180.18 2k0a h LYS 56 N 0.72 0.00 -6.85 0.00 1.63 -1.89 -3.45 116.57 106.74 2k0a h LYS 56 Ca 0.08 0.00 -0.53 0.00 -0.85 0.00 0.00 60.65 59.34 2k0a h LYS 56 Cb 0.88 0.00 0.09 0.00 -0.60 0.00 0.00 32.23 32.59 2k0a h LYS 56 CO 0.08 0.00 0.83 -0.80 -3.45 0.00 0.00 179.45 176.11 2k0a s ASN 57 N -4.38 6.40 0.06 4.20 0.02 -1.02 0.16 114.94 120.37 2k0a s ASN 57 Ca 0.01 2.95 -0.34 0.00 -1.02 0.00 0.00 52.86 54.46 2k0a s ASN 57 Cb 0.09 -2.64 -0.13 0.00 0.02 0.00 0.00 41.25 38.58 2k0a s ASN 57 CO 0.35 -0.87 1.70 0.00 0.02 0.00 0.00 177.10 178.30 2k0a h ILE 59 N 4.38 1.26 -0.21 0.00 3.07 -1.73 0.19 117.51 124.46 2k0a h ILE 59 Ca -0.46 -1.20 -0.18 0.00 1.55 0.00 0.00 64.86 64.56 2k0a h ILE 59 Cb 1.26 1.31 -0.00 0.00 -0.27 0.00 0.00 36.82 39.12 2k0a h ILE 59 CO 0.91 0.38 -0.58 0.40 -1.05 0.00 0.00 178.15 178.21 2k0a h ILE 60 N 0.42 1.31 -0.01 0.16 2.04 -1.84 -1.56 117.51 118.03 2k0a h ILE 60 Ca 0.07 -1.82 0.00 0.00 1.00 0.00 0.00 64.86 64.10 2k0a h ILE 60 Cb 0.62 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.48 2k0a h ILE 60 CO 0.04 0.57 -0.01 0.00 0.00 0.00 0.00 178.15 178.76 2k0a n ASN 62 N 0.39 -3.21 0.15 0.00 2.04 0.65 -3.23 115.26 112.05 2k0a n ASN 62 Ca 0.04 -1.09 0.00 0.00 -0.44 0.00 0.00 54.58 53.09 2k0a n ASN 62 Cb 0.19 -1.31 0.00 0.00 -2.53 0.00 0.00 39.78 36.13 2k0a n ASN 62 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2k0a n LEU 63 N -4.38 -2.76 -4.77 -4.53 -0.00 -1.24 -4.92 117.00 94.39 2k0a n LEU 63 Ca -0.10 0.75 -0.40 0.00 -0.00 0.00 0.00 56.01 56.26 2k0a n LEU 63 Cb 0.47 2.73 0.01 0.00 -0.00 0.00 0.00 43.42 46.63 2k0a n LEU 63 CO 0.62 0.19 1.06 0.20 -0.00 0.00 0.00 177.39 179.47 2k0a s ASN 64 N -2.00 5.96 0.10 1.45 0.01 -1.26 -4.63 114.94 114.58 2k0a s ASN 64 Ca 0.00 2.90 -0.30 0.00 -0.71 0.00 0.00 52.86 54.75 2k0a s ASN 64 Cb 0.00 -2.65 -0.06 0.00 0.41 0.00 0.00 41.25 38.95 2k0a s ASN 64 CO 0.00 -1.12 1.13 -0.69 -1.51 0.00 0.00 177.10 174.91 2k0a s VAL 65 N -1.20 4.07 0.41 1.60 1.01 -1.26 0.11 120.40 125.14 2k0a s VAL 65 Ca 0.60 1.60 -0.22 0.00 0.00 0.00 0.00 61.98 63.96 2k0a s VAL 65 Cb -0.43 -4.03 -0.10 0.00 0.00 0.00 0.00 36.38 31.82 2k0a s VAL 65 CO 0.56 0.19 0.96 -0.83 0.00 0.00 0.00 175.10 175.98 2k0a s GLY 66 N 0.56 2.53 -0.02 4.51 0.00 0.12 -4.25 107.32 110.77 2k0a s GLY 66 Ca 0.54 0.47 -0.00 0.00 0.00 0.00 0.00 44.72 45.73 2k0a s GLY 66 CO 0.31 0.81 -0.02 3.33 0.00 0.00 0.00 173.10 177.53 2k0a n VAL 67 N -0.34 0.12 -4.74 1.40 0.24 0.72 -4.74 118.33 110.99 2k0a n VAL 67 Ca 0.06 -0.04 -0.33 0.00 -2.04 0.00 0.00 64.34 61.99 2k0a n VAL 67 Cb 0.53 -0.75 -0.14 0.00 -1.47 0.00 0.00 33.84 32.01 2k0a n VAL 67 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2k0a s ASN 68 N -4.38 4.15 0.33 -1.34 0.01 -0.64 -4.84 114.94 108.23 2k0a s ASN 68 Ca -0.03 -0.27 -0.29 0.00 -0.71 0.00 0.00 52.86 51.57 2k0a s ASN 68 Cb 0.01 -1.50 -0.12 0.00 0.41 0.00 0.00 41.25 40.05 2k0a s ASN 68 CO 0.05 0.20 1.46 0.47 -1.51 0.00 0.00 177.10 177.77 2k0a n ASP 69 N 3.28 3.45 -4.77 -1.22 9.92 -1.26 0.10 116.55 126.06 2k0a n ASP 69 Ca -0.18 1.19 -0.38 0.00 -0.53 0.00 0.00 54.79 54.90 2k0a n ASP 69 Cb 0.53 -1.56 -0.02 0.00 -0.64 0.00 0.00 41.12 39.42 2k0a n ASP 69 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k0a s ALA 70 N -0.71 3.13 -0.06 2.24 0.00 0.72 -4.75 121.76 122.32 2k0a s ALA 70 Ca 0.58 0.92 0.04 0.00 0.00 0.00 0.00 51.96 53.50 2k0a s ALA 70 Cb -0.52 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.24 2k0a s ALA 70 CO 0.58 -0.49 -0.17 -0.06 0.00 0.00 0.00 175.76 175.62 2k0a s PHE 71 N -1.46 1.76 0.09 0.00 0.40 -1.26 -0.60 117.98 116.91 2k0a s PHE 71 Ca 0.58 -0.58 -0.31 0.00 -0.60 0.00 0.00 56.93 56.01 2k0a s PHE 71 Cb -0.29 -1.21 -0.08 0.00 0.51 0.00 0.00 43.02 41.94 2k0a s PHE 71 CO 0.36 -0.23 1.59 0.71 0.70 0.00 0.00 175.22 178.35 2k0a s TYR 72 N 0.26 2.68 0.81 0.36 2.02 0.20 -4.31 117.35 119.38 2k0a s TYR 72 Ca -0.09 0.49 -0.12 0.00 -0.37 0.00 0.00 57.07 56.98 2k0a s TYR 72 Cb -0.14 -3.91 0.08 0.00 -0.40 0.00 0.00 41.96 37.59 2k0a s TYR 72 CO 0.04 -3.53 1.10 0.00 -1.57 0.00 0.00 175.55 171.59 2k0a h TRP 74 N -1.15 -1.59 -0.73 0.00 -0.00 0.20 -1.96 115.95 110.72 2k0a h TRP 74 Ca -0.47 0.07 0.04 0.00 -0.00 0.00 0.00 58.89 58.52 2k0a h TRP 74 Cb 1.27 0.72 -0.05 0.00 -0.00 0.00 0.00 29.16 31.11 2k0a h TRP 74 CO 0.45 -0.52 0.45 0.93 -0.00 0.00 0.00 178.44 179.74 2k0a h GLU 75 N -0.52 0.83 -0.16 2.65 5.08 -1.86 0.12 114.58 120.73 2k0a h GLU 75 Ca 0.05 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 2k0a h GLU 75 Cb 0.65 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2k0a h GLU 75 CO -0.48 0.55 -0.23 0.00 -1.00 0.00 0.00 179.01 177.85 2k0a h ARG 78 N 0.59 0.52 -0.31 0.00 9.65 0.19 -2.86 114.38 122.15 2k0a h ARG 78 Ca 0.07 -0.18 -0.04 0.00 -1.10 0.00 0.00 59.98 58.73 2k0a h ARG 78 Cb 0.83 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.36 2k0a h ARG 78 CO 0.07 0.70 0.04 -0.07 2.80 0.00 0.00 179.97 183.51 2k0a h LEU 79 N 0.29 0.42 -0.05 3.80 3.38 -0.11 -3.47 115.31 119.58 2k0a h LEU 79 Ca 0.08 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2k0a h LEU 79 Cb 0.49 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2k0a h LEU 79 CO 0.02 0.46 0.00 0.61 0.09 0.00 0.00 178.44 179.62 2k0a n GLY 80 N -1.03 1.31 1.85 0.83 0.00 0.15 -4.97 105.19 103.32 2k0a n GLY 80 Ca 0.01 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 2k0a n GLY 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k0a n LYS 81 N -0.90 2.61 0.14 1.61 5.02 -0.25 -3.86 118.16 122.53 2k0a n LYS 81 Ca 0.00 -2.38 0.13 0.00 -2.02 0.00 0.00 58.31 54.04 2k0a n LYS 81 Cb 0.20 -1.98 0.38 0.00 -0.02 0.00 0.00 35.03 33.61 2k0a n LYS 81 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 2k0a h ASP 82 N 1.50 0.00 0.33 4.39 2.03 -1.89 -2.31 116.42 120.47 2k0a h ASP 82 Ca 0.35 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.65 2k0a h ASP 82 Cb 2.22 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.72 2k0a h ASP 82 CO 0.72 0.00 0.00 2.29 -1.03 0.00 0.00 179.24 181.22 2k0a n LYS 83 N -2.45 0.44 -2.44 4.15 -0.00 -1.25 -4.14 118.16 112.46 2k0a n LYS 83 Ca 0.05 0.05 -0.43 0.00 -0.00 0.00 0.00 58.31 57.98 2k0a n LYS 83 Cb 0.42 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 33.95 2k0a n LYS 83 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2k0a n ASP 84 N -1.22 4.77 0.00 -5.58 8.00 -0.87 -4.88 116.55 116.77 2k0a n ASP 84 Ca 0.13 -2.92 0.00 0.00 0.71 0.00 0.00 54.79 52.71 2k0a n ASP 84 Cb 0.16 -1.69 0.00 0.00 -0.02 0.00 0.00 41.12 39.57 2k0a n ASP 84 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k0a n GLY 85 N 4.79 -2.40 3.59 0.44 0.00 -1.26 -4.56 105.19 105.79 2k0a n GLY 85 Ca 0.47 0.06 -0.43 0.00 0.00 0.00 0.00 46.02 46.12 2k0a n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k0a n PRO 87 N 8.12 2.04 -2.41 0.00 -0.04 -1.26 0.58 135.00 142.04 2k0a n PRO 87 Ca 0.12 -2.16 -0.43 0.00 -0.04 0.00 0.00 63.50 61.00 2k0a n PRO 87 Cb 0.49 -1.85 -0.02 0.00 -0.04 0.00 0.00 33.50 32.08 2k0a n PRO 87 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2k0a s ARG 88 N -2.47 3.88 -1.04 0.54 0.52 -1.25 -4.33 118.95 114.81 2k0a s ARG 88 Ca 0.42 1.22 -0.23 0.00 -0.52 0.00 0.00 55.73 56.63 2k0a s ARG 88 Cb 0.34 -3.90 0.00 0.00 0.52 0.00 0.00 34.95 31.92 2k0a s ARG 88 CO 0.02 -1.17 1.71 0.42 0.02 0.00 0.00 175.30 176.30 2k0a s ILE 89 N 4.49 3.75 0.12 1.52 -1.09 -0.59 -1.05 121.20 128.36 2k0a s ILE 89 Ca 0.57 -0.80 -0.15 0.00 -2.23 0.00 0.00 60.65 58.04 2k0a s ILE 89 Cb -0.16 -4.67 -0.03 0.00 -1.58 0.00 0.00 42.46 36.01 2k0a s ILE 89 CO 0.24 -1.51 1.54 -0.07 -1.23 0.00 0.00 174.94 173.91 2k0a h LEU 90 N 15.02 0.70 -9.50 2.97 3.38 -1.86 -3.27 115.31 122.75 2k0a h LEU 90 Ca 0.20 -0.34 -0.53 0.00 0.09 0.00 0.00 57.88 57.30 2k0a h LEU 90 Cb 0.98 -0.19 0.02 0.00 0.09 0.00 0.00 40.66 41.56 2k0a h LEU 90 CO 1.34 0.87 0.78 0.54 0.09 0.00 0.00 178.44 182.05 2k0a s ASN 91 N -6.26 6.81 0.00 -0.43 2.20 -1.11 -3.34 114.94 112.82 2k0a s ASN 91 Ca -0.13 2.29 0.00 0.00 -0.94 0.00 0.00 52.86 54.08 2k0a s ASN 91 Cb 0.10 -2.58 0.00 0.00 -2.00 0.00 0.00 41.25 36.77 2k0a s ASN 91 CO 0.80 -0.69 0.00 0.18 -2.94 0.00 0.00 177.10 174.45 2k0a n LEU 92 N 4.45 0.00 0.00 3.54 7.99 -1.26 -4.86 117.00 126.85 2k0a n LEU 92 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.12 2k0a n LEU 92 Cb 0.42 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.73 2k0a n LEU 92 CO 0.59 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 177.08 2k0a n GLY 93 N 0.00 2.65 1.13 -0.72 0.00 -1.21 -1.31 105.19 105.73 2k0a n GLY 93 Ca 0.00 -0.27 0.08 0.00 0.00 0.00 0.00 46.02 45.83 2k0a n GLY 93 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k0a n SER 94 N 6.87 4.28 -2.28 1.61 2.88 -1.20 -4.67 113.62 121.11 2k0a n SER 94 Ca 0.00 -2.89 -0.19 0.00 -1.33 0.00 0.00 58.87 54.46 2k0a n SER 94 Cb 0.00 -0.55 -0.12 0.00 -0.75 0.00 0.00 64.21 62.78 2k0a n SER 94 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2k0a n ASN 95 N -0.08 5.92 0.00 -3.46 3.02 -0.43 -4.71 115.26 115.51 2k0a n ASN 95 Ca 0.22 -2.72 0.00 0.00 -0.03 0.00 0.00 54.58 52.05 2k0a n ASN 95 Cb 0.92 -1.37 0.00 0.00 -0.61 0.00 0.00 39.78 38.72 2k0a n ASN 95 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2k0a n ARG 96 N 2.07 0.00 -1.76 3.52 -4.01 -1.26 -5.00 116.66 110.22 2k0a n ARG 96 Ca 0.48 0.00 -0.41 0.00 -1.04 0.00 0.00 57.85 56.88 2k0a n ARG 96 Cb 0.75 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 30.17 2k0a n ARG 96 CO 0.00 0.00 0.00 1.47 -3.04 0.00 0.00 177.63 176.06 2k0a n LEU 97 N 0.00 4.62 -0.79 2.89 -0.00 -1.26 -4.91 117.00 117.55 2k0a n LEU 97 Ca 0.00 1.21 0.06 0.00 -0.00 0.00 0.00 56.01 57.27 2k0a n LEU 97 Cb 0.00 -1.59 0.14 0.00 -0.00 0.00 0.00 43.42 41.97 2k0a n LEU 97 CO 0.00 -0.01 0.29 -0.90 -0.00 0.00 0.00 177.39 176.77 2k0a n ASP 98 N 0.40 1.51 -3.78 1.45 5.75 -1.26 -4.98 116.55 115.64 2k0a n ASP 98 Ca 0.02 -3.25 -0.13 0.00 -0.01 0.00 0.00 54.79 51.42 2k0a n ASP 98 Cb 0.39 -0.45 -0.11 0.00 -1.03 0.00 0.00 41.12 39.93 2k0a n ASP 98 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2k0a s ARG 99 N -2.22 0.42 -0.36 0.11 1.81 -1.26 -5.06 118.95 112.39 2k0a s ARG 99 Ca 0.35 0.23 -0.28 0.00 -1.72 0.00 0.00 55.73 54.30 2k0a s ARG 99 Cb 0.35 0.19 0.02 0.00 -0.45 0.00 0.00 34.95 35.07 2k0a s ARG 99 CO -0.09 -0.07 1.05 -1.58 -0.68 0.00 0.00 175.30 173.93 2k0a s HIS 100 N -0.25 3.07 0.07 -0.53 5.65 -1.26 -4.78 115.29 117.26 2k0a s HIS 100 Ca -0.04 1.01 -0.31 0.00 0.25 0.00 0.00 55.06 55.98 2k0a s HIS 100 Cb -0.03 -3.82 -0.08 0.00 -1.18 0.00 0.00 32.58 27.47 2k0a s HIS 100 CO 0.01 -0.87 1.55 -0.59 -0.65 0.00 0.00 174.74 174.19 2k0a s PHE 101 N 3.76 2.72 0.06 3.88 -0.12 -1.26 -4.53 117.98 122.49 2k0a s PHE 101 Ca 0.44 0.56 0.00 0.00 -0.05 0.00 0.00 56.93 57.89 2k0a s PHE 101 Cb -0.11 -3.85 0.00 0.00 -0.63 0.00 0.00 43.02 38.43 2k0a s PHE 101 CO 0.19 -3.27 0.00 -1.91 -0.05 0.00 0.00 175.22 170.18 2k0a n GLU 102 N 5.11 0.00 0.22 1.99 0.00 -1.26 -5.00 120.64 121.70 2k0a n GLU 102 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 57.16 57.20 2k0a n GLU 102 Cb 0.41 0.00 -0.05 0.00 0.00 0.00 0.00 31.44 31.80 2k0a n GLU 102 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 2k0a h LYS 103 N 0.00 -0.59 -0.97 5.31 1.63 -2.00 -3.48 116.57 116.47 2k0a h LYS 103 Ca 0.00 0.04 0.21 0.00 -0.85 0.00 0.00 60.65 60.05 2k0a h LYS 103 Cb 0.00 0.13 -0.32 0.00 -0.60 0.00 0.00 32.23 31.45 2k0a h LYS 103 CO 0.00 -0.35 0.68 0.21 -3.45 0.00 0.00 179.45 176.55 2k0a s LYS 104 N -3.79 0.07 0.29 1.90 2.20 -1.26 -5.15 119.74 114.00 2k0a s LYS 104 Ca -0.10 0.14 0.00 0.00 -0.36 0.00 0.00 55.97 55.64 2k0a s LYS 104 Cb 0.01 0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.36 2k0a s LYS 104 CO 0.33 -0.02 0.00 1.63 -0.36 0.00 0.00 175.35 176.94 2k0a n LYS 105 N 3.37 -2.28 -1.04 4.03 5.02 -1.26 -4.64 118.16 121.36 2k0a n LYS 105 Ca -0.16 1.73 -0.17 0.00 -2.02 0.00 0.00 58.31 57.69 2k0a n LYS 105 Cb 0.56 -2.02 -0.03 0.00 -0.02 0.00 0.00 35.03 33.52 2k0a n LYS 105 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2k0a n LYS 106 N -1.37 1.91 0.00 1.97 5.02 -1.26 -4.57 118.16 119.86 2k0a n LYS 106 Ca 0.00 -1.51 0.00 0.00 -2.02 0.00 0.00 58.31 54.78 2k0a n LYS 106 Cb 0.09 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 33.35 2k0a n LYS 106 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21