#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khs n THR 2 N 0.00 0.00 0.00 0.00 -1.04 -1.26 -5.07 114.28 106.91 2khs n THR 2 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2khs n THR 2 Cb 0.00 -0.06 0.00 0.00 -1.82 0.00 0.00 70.33 68.45 2khs n THR 2 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2khs n SER 3 N -3.01 0.00 -2.87 8.00 3.41 -1.26 -5.00 113.62 112.89 2khs n SER 3 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 2khs n SER 3 Cb 0.00 0.15 0.03 0.00 -0.26 0.00 0.00 64.21 64.12 2khs n SER 3 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2khs n THR 4 N -1.62 -0.16 -3.43 6.66 -1.04 -1.26 -5.06 114.28 108.37 2khs n THR 4 Ca 0.00 -2.24 -0.25 0.00 -2.04 0.00 0.00 64.05 59.51 2khs n THR 4 Cb 0.00 0.66 -0.11 0.00 -1.82 0.00 0.00 70.33 69.06 2khs n THR 4 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2khs s LYS 5 N -0.00 0.57 0.76 -2.82 1.02 -1.26 -5.13 119.74 112.88 2khs s LYS 5 Ca 0.31 -1.18 -0.08 0.00 0.02 0.00 0.00 55.97 55.05 2khs s LYS 5 Cb 0.24 -1.12 0.10 0.00 -0.52 0.00 0.00 37.83 36.53 2khs s LYS 5 CO -0.17 -1.20 1.08 0.15 -0.92 0.00 0.00 175.35 174.29 2khs s LYS 6 N 1.19 1.76 0.51 1.68 1.02 -1.26 -4.57 119.74 120.08 2khs s LYS 6 Ca 0.18 -0.43 -0.01 0.00 0.02 0.00 0.00 55.97 55.72 2khs s LYS 6 Cb -0.21 -2.12 0.01 0.00 -0.52 0.00 0.00 37.83 34.99 2khs s LYS 6 CO -0.01 -1.54 0.76 -0.51 -0.92 0.00 0.00 175.35 173.13 2khs s LEU 7 N -5.37 3.43 -0.35 3.17 2.01 -1.26 -5.04 118.68 115.27 2khs s LEU 7 Ca 0.64 0.30 -0.17 0.00 0.01 0.00 0.00 54.13 54.91 2khs s LEU 7 Cb -0.08 -3.16 -0.00 0.00 0.01 0.00 0.00 46.19 42.96 2khs s LEU 7 CO 0.46 -0.93 0.45 -2.28 1.01 0.00 0.00 176.35 175.07 2khs s HIS 8 N -2.73 3.19 0.16 0.29 2.46 -1.26 -4.95 115.29 112.45 2khs s HIS 8 Ca 0.52 0.05 0.07 0.00 0.47 0.00 0.00 55.06 56.18 2khs s HIS 8 Cb -0.10 -2.84 -0.04 0.00 -0.13 0.00 0.00 32.58 29.47 2khs s HIS 8 CO 0.40 -0.52 -0.03 -1.59 -2.47 0.00 0.00 174.74 170.53 2khs s LYS 9 N 2.24 2.33 0.10 2.88 -2.85 -1.26 -3.43 119.74 119.74 2khs s LYS 9 Ca 0.16 -1.10 -0.00 0.00 -1.00 0.00 0.00 55.97 54.03 2khs s LYS 9 Cb -0.16 -2.34 -0.04 0.00 -2.06 0.00 0.00 37.83 33.23 2khs s LYS 9 CO 0.13 0.47 -0.01 -1.21 0.10 0.00 0.00 175.35 174.83 2khs s GLU 10 N -2.77 0.81 0.61 1.78 2.02 -0.99 -4.92 118.70 115.23 2khs s GLU 10 Ca 0.26 -1.34 -0.15 0.00 0.02 0.00 0.00 54.97 53.76 2khs s GLU 10 Cb -0.10 0.09 -0.03 0.00 0.10 0.00 0.00 34.13 34.20 2khs s GLU 10 CO 0.17 -0.14 1.06 -2.14 0.02 0.00 0.00 175.26 174.23 2khs s PRO 11 N -3.94 3.25 0.16 0.39 0.02 -1.26 -0.53 135.00 133.09 2khs s PRO 11 Ca 0.15 1.15 -0.00 0.00 0.02 0.00 0.00 61.00 62.31 2khs s PRO 11 Cb 0.07 -2.03 -0.04 0.00 0.02 0.00 0.00 34.50 32.52 2khs s PRO 11 CO -0.04 -0.86 0.07 0.00 -0.33 0.00 0.00 177.00 175.84 2khs s ALA 12 N -2.58 1.07 -0.10 -1.55 0.00 0.20 -4.23 121.76 114.58 2khs s ALA 12 Ca 0.62 -1.57 -0.04 0.00 0.00 0.00 0.00 51.96 50.97 2khs s ALA 12 Cb -0.15 0.96 -0.04 0.00 0.00 0.00 0.00 23.12 23.89 2khs s ALA 12 CO 0.40 -0.49 0.05 0.99 0.00 0.00 0.00 175.76 176.72 2khs s THR 13 N -4.00 4.76 -0.03 0.00 2.01 0.12 -4.43 115.64 114.08 2khs s THR 13 Ca 0.29 -0.07 -0.21 0.00 0.31 0.00 0.00 61.69 62.00 2khs s THR 13 Cb 0.07 -3.03 -0.05 0.00 0.01 0.00 0.00 72.50 69.50 2khs s THR 13 CO 0.05 0.61 0.60 -0.22 -0.69 0.00 0.00 174.62 174.98 2khs s LEU 14 N -0.91 4.38 -0.16 4.42 2.96 -1.26 0.32 118.68 128.43 2khs s LEU 14 Ca 0.14 1.13 -0.12 0.00 -0.22 0.00 0.00 54.13 55.06 2khs s LEU 14 Cb -0.12 -2.93 -0.05 0.00 0.50 0.00 0.00 46.19 43.59 2khs s LEU 14 CO 0.03 0.05 -0.20 -0.38 -1.32 0.00 0.00 176.35 174.53 2khs n ILE 15 N 3.02 1.44 -3.59 6.68 5.41 0.19 -4.89 119.36 127.62 2khs n ILE 15 Ca -0.06 0.17 -0.04 0.00 1.00 0.00 0.00 62.75 63.83 2khs n ILE 15 Cb 0.51 -2.35 -0.02 0.00 -0.71 0.00 0.00 39.64 37.07 2khs n ILE 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 2khs s LYS 16 N -2.40 0.38 0.12 0.38 -2.85 -1.08 -5.03 119.74 109.25 2khs s LYS 16 Ca -0.19 -0.15 -0.02 0.00 -1.00 0.00 0.00 55.97 54.61 2khs s LYS 16 Cb 0.03 0.16 -0.05 0.00 -2.06 0.00 0.00 37.83 35.92 2khs s LYS 16 CO 0.29 -0.17 0.31 0.00 0.10 0.00 0.00 175.35 175.89 2khs s ALA 17 N -2.49 3.89 -0.03 0.59 0.00 -1.26 -0.27 121.76 122.19 2khs s ALA 17 Ca 0.10 -0.75 -0.06 0.00 0.00 0.00 0.00 51.96 51.25 2khs s ALA 17 Cb -0.00 -1.97 -0.03 0.00 0.00 0.00 0.00 23.12 21.12 2khs s ALA 17 CO -0.05 0.68 -0.13 -0.89 0.00 0.00 0.00 175.76 175.37 2khs n ILE 18 N -0.03 1.06 -3.06 0.00 2.08 -0.17 -4.88 119.36 114.37 2khs n ILE 18 Ca -0.04 0.16 0.00 0.00 0.56 0.00 0.00 62.75 63.43 2khs n ILE 18 Cb 0.52 -1.78 0.00 0.00 -0.75 0.00 0.00 39.64 37.63 2khs n ILE 18 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 2khs n ASP 19 N -3.70 0.47 0.06 4.38 -0.08 0.23 -4.99 116.55 112.92 2khs n ASP 19 Ca -0.10 -0.06 -0.18 0.00 -1.51 0.00 0.00 54.79 52.94 2khs n ASP 19 Cb 0.34 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.71 2khs n ASP 19 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 2khs h GLY 20 N 0.00 0.62 0.00 0.27 0.00 -1.83 -3.33 103.07 98.79 2khs h GLY 20 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 47.33 46.19 2khs h GLY 20 CO 0.00 1.01 -0.91 2.09 0.00 0.00 0.00 176.54 178.72 2khs n ASP 21 N -3.78 0.89 -4.35 0.19 5.68 -1.26 -4.80 116.55 109.12 2khs n ASP 21 Ca -0.10 -0.64 -0.39 0.00 -0.50 0.00 0.00 54.79 53.16 2khs n ASP 21 Cb 0.89 1.16 -0.12 0.00 -1.14 0.00 0.00 41.12 41.91 2khs n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2khs s THR 22 N -2.52 4.27 0.03 2.12 2.01 -1.25 -1.51 115.64 118.79 2khs s THR 22 Ca 0.03 -0.83 0.02 0.00 0.31 0.00 0.00 61.69 61.22 2khs s THR 22 Cb 0.11 -3.32 -0.02 0.00 0.01 0.00 0.00 72.50 69.27 2khs s THR 22 CO 0.60 -0.11 -0.06 0.68 -0.69 0.00 0.00 174.62 175.03 2khs s VAL 23 N 1.52 0.41 -0.28 3.82 -7.23 -0.48 -0.60 120.40 117.55 2khs s VAL 23 Ca 0.02 -0.82 -0.10 0.00 -1.81 0.00 0.00 61.98 59.27 2khs s VAL 23 Cb -0.19 -0.46 -0.03 0.00 0.56 0.00 0.00 36.38 36.26 2khs s VAL 23 CO 0.05 -0.28 0.15 -0.54 -0.31 0.00 0.00 175.10 174.16 2khs s LYS 24 N -1.18 3.65 0.16 4.82 1.02 0.63 0.77 119.74 129.60 2khs s LYS 24 Ca -0.08 -0.51 0.07 0.00 0.02 0.00 0.00 55.97 55.47 2khs s LYS 24 Cb -0.08 -3.54 -0.04 0.00 -0.52 0.00 0.00 37.83 33.65 2khs s LYS 24 CO 0.00 -0.27 -0.15 -0.51 -0.92 0.00 0.00 175.35 173.50 2khs s LEU 25 N 1.67 2.46 -0.38 3.17 1.02 -0.45 -0.64 118.68 125.53 2khs s LEU 25 Ca 0.06 -0.88 0.02 0.00 0.02 0.00 0.00 54.13 53.35 2khs s LEU 25 Cb -0.16 -0.66 0.11 0.00 0.02 0.00 0.00 46.19 45.50 2khs s LEU 25 CO 0.07 -0.12 0.12 -0.32 0.02 0.00 0.00 176.35 176.12 2khs s MET 26 N -2.99 1.69 -0.39 1.70 1.75 0.15 -0.31 119.30 120.90 2khs s MET 26 Ca 0.15 -1.94 -0.15 0.00 -1.25 0.00 0.00 55.69 52.49 2khs s MET 26 Cb -0.04 -3.33 0.01 0.00 2.84 0.00 0.00 34.83 34.31 2khs s MET 26 CO 0.05 -0.99 0.34 1.52 -0.65 0.00 0.00 175.02 175.28 2khs s TYR 27 N 0.84 3.21 -1.46 4.11 1.13 0.63 0.12 117.35 125.93 2khs s TYR 27 Ca 0.11 -0.38 -0.08 0.00 -1.41 0.00 0.00 57.07 55.31 2khs s TYR 27 Cb -0.21 -2.67 0.03 0.00 -1.10 0.00 0.00 41.96 38.01 2khs s TYR 27 CO -0.06 -0.56 0.88 1.63 -2.51 0.00 0.00 175.55 174.93 2khs n LYS 28 N 5.31 -6.04 -0.46 -3.49 5.02 -1.26 -1.40 118.16 115.83 2khs n LYS 28 Ca -0.10 0.79 0.00 0.00 -2.02 0.00 0.00 58.31 56.99 2khs n LYS 28 Cb 0.48 -5.73 0.00 0.00 -0.02 0.00 0.00 35.03 29.76 2khs n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2khs n GLY 29 N -1.71 0.76 3.18 0.72 0.00 -1.26 -5.04 105.19 101.84 2khs n GLY 29 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 2khs n GLY 29 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2khs s GLN 30 N -0.54 2.33 -0.09 1.61 0.74 -0.50 -5.07 119.66 118.15 2khs s GLN 30 Ca 0.00 -1.45 -0.30 0.00 0.05 0.00 0.00 55.36 53.66 2khs s GLN 30 Cb 0.00 -3.42 -0.02 0.00 1.10 0.00 0.00 33.01 30.67 2khs s GLN 30 CO 0.00 -0.81 1.12 -2.14 -0.55 0.00 0.00 175.29 172.91 2khs s PRO 31 N 1.26 4.37 0.05 1.67 0.02 -1.26 -0.27 135.00 140.84 2khs s PRO 31 Ca 0.01 1.55 -0.08 0.00 0.02 0.00 0.00 61.00 62.50 2khs s PRO 31 Cb -0.21 -3.56 -0.00 0.00 0.02 0.00 0.00 34.50 30.74 2khs s PRO 31 CO -0.01 -0.42 0.15 -1.64 -0.33 0.00 0.00 177.00 174.76 2khs s MET 32 N 2.23 0.70 -0.30 5.54 -1.94 0.58 -4.97 119.30 121.14 2khs s MET 32 Ca 0.52 -0.79 -0.21 0.00 -1.71 0.00 0.00 55.69 53.51 2khs s MET 32 Cb -0.22 0.28 -0.01 0.00 2.01 0.00 0.00 34.83 36.90 2khs s MET 32 CO 0.19 -0.20 0.66 0.99 -0.01 0.00 0.00 175.02 176.66 2khs s THR 33 N -3.01 4.91 0.06 2.05 2.01 -1.26 -1.34 115.64 119.06 2khs s THR 33 Ca -0.02 0.94 -0.07 0.00 0.31 0.00 0.00 61.69 62.85 2khs s THR 33 Cb 0.01 -4.03 -0.05 0.00 0.01 0.00 0.00 72.50 68.44 2khs s THR 33 CO -0.06 -0.15 0.33 -0.36 -0.69 0.00 0.00 174.62 173.69 2khs s PHE 34 N 2.67 3.57 -0.16 4.92 0.40 0.23 -0.47 117.98 129.13 2khs s PHE 34 Ca 0.27 0.65 -0.01 0.00 -0.60 0.00 0.00 56.93 57.24 2khs s PHE 34 Cb -0.15 -2.05 -0.00 0.00 0.51 0.00 0.00 43.02 41.32 2khs s PHE 34 CO 0.12 0.55 -0.13 0.50 0.70 0.00 0.00 175.22 176.96 2khs s ARG 35 N -1.95 3.28 -0.14 0.44 6.06 1.00 -1.38 118.95 126.24 2khs s ARG 35 Ca 0.32 -0.71 -0.29 0.00 -2.50 0.00 0.00 55.73 52.54 2khs s ARG 35 Cb -0.13 -2.70 -0.03 0.00 0.06 0.00 0.00 34.95 32.15 2khs s ARG 35 CO 0.18 0.01 1.43 -0.51 -2.50 0.00 0.00 175.30 173.91 2khs s LEU 36 N 0.86 4.18 0.37 -0.88 1.43 -0.57 -2.62 118.68 121.45 2khs s LEU 36 Ca -0.04 1.84 -0.28 0.00 -1.03 0.00 0.00 54.13 54.62 2khs s LEU 36 Cb -0.15 -3.54 -0.11 0.00 0.03 0.00 0.00 46.19 42.42 2khs s LEU 36 CO -0.00 -0.88 1.50 -0.76 0.23 0.00 0.00 176.35 176.43 2khs s LEU 37 N 3.90 4.32 0.00 1.79 1.43 -0.17 -2.04 118.68 127.91 2khs s LEU 37 Ca 0.63 3.05 0.00 0.00 -1.03 0.00 0.00 54.13 56.77 2khs s LEU 37 Cb -0.26 -3.67 0.00 0.00 0.03 0.00 0.00 46.19 42.30 2khs s LEU 37 CO 0.21 -0.88 0.00 0.18 0.23 0.00 0.00 176.35 176.09 2khs n LEU 38 N 0.60 0.29 -4.38 1.79 4.77 -1.25 -4.76 117.00 114.06 2khs n LEU 38 Ca 0.02 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.67 2khs n LEU 38 Cb 0.39 -0.44 -0.14 0.00 -2.33 0.00 0.00 43.42 40.90 2khs n LEU 38 CO 0.64 -0.14 -0.47 -0.69 -1.33 0.00 0.00 177.39 175.39 2khs s VAL 39 N -3.07 2.87 -0.20 4.08 1.01 -0.87 -0.92 120.40 123.30 2khs s VAL 39 Ca 0.00 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.18 2khs s VAL 39 Cb 0.00 -2.15 0.08 0.00 0.00 0.00 0.00 36.38 34.31 2khs s VAL 39 CO 0.00 0.55 0.15 -0.62 0.00 0.00 0.00 175.10 175.19 2khs s ASP 40 N -0.06 2.08 0.00 3.32 2.15 0.34 -4.57 116.67 119.93 2khs s ASP 40 Ca -0.04 -0.55 0.09 0.00 0.43 0.00 0.00 52.55 52.48 2khs s ASP 40 Cb -0.14 0.02 0.14 0.00 -0.30 0.00 0.00 42.92 42.64 2khs s ASP 40 CO 0.04 -0.35 0.96 1.07 -0.17 0.00 0.00 175.17 176.72 2khs n THR 41 N 5.29 0.43 -0.51 1.71 5.66 -1.26 0.21 114.28 125.81 2khs n THR 41 Ca -0.06 -0.71 0.08 0.00 -3.05 0.00 0.00 64.05 60.31 2khs n THR 41 Cb 0.48 0.89 0.26 0.00 -1.55 0.00 0.00 70.33 70.41 2khs n THR 41 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 2khs n PRO 42 N 0.42 3.15 -4.20 1.09 -0.04 -1.26 -4.67 135.00 129.48 2khs n PRO 42 Ca 0.07 -2.54 -0.29 0.00 -0.04 0.00 0.00 63.50 60.70 2khs n PRO 42 Cb 0.29 -1.62 -0.17 0.00 -0.04 0.00 0.00 33.50 31.97 2khs n PRO 42 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2khs s GLU 43 N -1.65 2.18 -0.28 0.54 -6.30 -1.26 -4.54 118.70 107.39 2khs s GLU 43 Ca 0.39 -0.53 -0.21 0.00 -2.50 0.00 0.00 54.97 52.12 2khs s GLU 43 Cb 0.25 -1.95 0.08 0.00 0.00 0.00 0.00 34.13 32.51 2khs s GLU 43 CO 0.19 -0.16 0.75 0.99 0.02 0.00 0.00 175.26 177.05 2khs s THR 44 N 1.28 0.00 -0.06 -1.70 2.01 -1.26 -4.81 115.64 111.10 2khs s THR 44 Ca -0.00 0.00 -0.06 0.00 0.31 0.00 0.00 61.69 61.94 2khs s THR 44 Cb -0.14 -1.00 -0.28 0.00 0.01 0.00 0.00 72.50 71.09 2khs s THR 44 CO -0.06 0.00 0.62 0.50 -0.69 0.00 0.00 174.62 174.98 2khs h LYS 45 N 5.86 0.29 0.82 4.92 3.11 -1.98 -3.36 116.57 126.23 2khs h LYS 45 Ca -0.29 -0.49 -0.04 0.00 -2.81 0.00 0.00 60.65 57.02 2khs h LYS 45 Cb 1.19 0.18 0.01 0.00 -1.00 0.00 0.00 32.23 32.61 2khs h LYS 45 CO 0.11 1.17 -0.39 1.25 -2.81 0.00 0.00 179.45 178.77 2khs h HIS 46 N 0.08 -1.02 -3.71 1.91 2.76 -1.98 -3.42 115.15 109.76 2khs h HIS 46 Ca -0.34 -0.02 -0.52 0.00 -2.20 0.00 0.00 60.37 57.29 2khs h HIS 46 Cb 2.05 0.34 0.04 0.00 1.55 0.00 0.00 27.41 31.39 2khs h HIS 46 CO 0.08 -0.64 0.59 -2.14 -1.30 0.00 0.00 177.93 174.52 2khs s PRO 47 N -5.24 4.45 0.56 5.26 0.02 -1.26 -4.92 135.00 133.87 2khs s PRO 47 Ca -0.16 2.05 0.31 0.00 0.02 0.00 0.00 61.00 63.22 2khs s PRO 47 Cb 0.02 -3.14 1.65 0.00 0.02 0.00 0.00 34.50 33.04 2khs s PRO 47 CO 0.48 -0.09 2.13 0.87 -0.33 0.00 0.00 177.00 180.06 2khs h LYS 48 N 4.09 0.00 -0.33 5.54 1.57 -1.90 -1.01 116.57 124.53 2khs h LYS 48 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2khs h LYS 48 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2khs h LYS 48 CO 0.69 0.07 0.00 1.63 -0.57 0.00 0.00 179.45 181.27 2khs n LYS 49 N -3.50 2.36 0.00 3.15 4.76 -1.26 -5.03 118.16 118.64 2khs n LYS 49 Ca -0.02 -2.04 0.00 0.00 -2.87 0.00 0.00 58.31 53.38 2khs n LYS 49 Cb 0.20 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.90 2khs n LYS 49 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2khs n GLY 50 N 1.43 1.34 3.26 0.72 0.00 -0.39 -4.46 105.19 107.10 2khs n GLY 50 Ca 0.19 -0.68 -0.44 0.00 0.00 0.00 0.00 46.02 45.09 2khs n GLY 50 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2khs n VAL 51 N 0.00 4.57 0.05 1.61 0.31 -1.26 -4.20 118.33 119.41 2khs n VAL 51 Ca 0.00 -5.13 -0.07 0.00 -0.01 0.00 0.00 64.34 59.12 2khs n VAL 51 Cb 0.00 -2.44 -0.05 0.00 -0.91 0.00 0.00 33.84 30.45 2khs n VAL 51 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2khs h GLU 52 N 6.48 -0.23 -0.23 5.55 4.81 -1.90 -2.97 114.58 126.10 2khs h GLU 52 Ca 0.26 0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.38 2khs h GLU 52 Cb 0.80 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 2khs h GLU 52 CO 1.23 0.06 -0.39 0.87 -0.73 0.00 0.00 179.01 180.05 2khs h LYS 53 N -1.00 0.54 -0.09 1.92 1.57 -1.98 -3.26 116.57 114.27 2khs h LYS 53 Ca -0.02 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2khs h LYS 53 Cb 0.39 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2khs h LYS 53 CO 0.04 0.84 0.00 0.66 -0.57 0.00 0.00 179.45 180.42 2khs n TYR 54 N -4.04 0.12 0.28 -1.35 4.01 -1.26 -4.70 117.16 110.22 2khs n TYR 54 Ca -0.01 -0.48 -0.15 0.00 -0.16 0.00 0.00 57.90 57.09 2khs n TYR 54 Cb 0.50 -0.04 -0.08 0.00 -0.31 0.00 0.00 39.34 39.41 2khs n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2khs h GLY 55 N 0.55 -0.73 0.31 2.72 0.00 -1.56 -2.06 103.07 102.30 2khs h GLY 55 Ca 0.00 0.27 0.19 0.00 0.00 0.00 0.00 47.33 47.79 2khs h GLY 55 CO 0.00 -0.27 0.60 -2.55 0.00 0.00 0.00 176.54 174.32 2khs h PRO 56 N -0.89 0.54 0.05 4.80 0.11 -1.84 -0.13 132.00 134.64 2khs h PRO 56 Ca -0.07 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 2khs h PRO 56 Cb 0.61 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.60 2khs h PRO 56 CO 0.12 0.35 -0.02 1.49 -0.21 0.00 0.00 178.00 179.73 2khs h GLU 57 N 0.55 -0.07 0.08 1.05 4.57 -1.83 -1.31 114.58 117.62 2khs h GLU 57 Ca 0.49 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.67 2khs h GLU 57 Cb 1.01 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.62 2khs h GLU 57 CO -0.23 0.03 -0.04 0.00 -1.18 0.00 0.00 179.01 177.59 2khs h ALA 58 N 0.80 -0.11 -0.89 2.92 0.00 -0.56 -1.08 119.26 120.34 2khs h ALA 58 Ca -0.01 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.80 2khs h ALA 58 Cb 0.12 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 2khs h ALA 58 CO 0.01 -0.46 0.59 0.77 0.00 0.00 0.00 179.25 180.16 2khs h SER 59 N -0.30 1.02 -0.07 0.00 0.02 -1.08 -1.93 113.55 111.20 2khs h SER 59 Ca -0.01 -0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 60.78 2khs h SER 59 Cb 0.26 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2khs h SER 59 CO 0.02 0.73 -0.39 0.00 -1.14 0.00 0.00 176.83 176.05 2khs h ALA 60 N 1.45 0.84 0.00 3.77 0.00 -1.09 -2.07 119.26 122.16 2khs h ALA 60 Ca 0.33 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2khs h ALA 60 Cb -0.13 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2khs h ALA 60 CO -0.07 0.64 -0.00 0.35 0.00 0.00 0.00 179.25 180.17 2khs h PHE 61 N 0.49 -0.00 -0.15 0.00 3.57 -0.45 0.82 116.94 121.22 2khs h PHE 61 Ca 0.04 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.57 2khs h PHE 61 Cb 0.90 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.62 2khs h PHE 61 CO 0.04 0.09 -0.01 1.15 -2.23 0.00 0.00 178.31 177.35 2khs h THR 62 N -0.10 0.88 -0.02 4.41 2.02 -1.37 -1.13 112.91 117.59 2khs h THR 62 Ca -0.00 -0.01 0.03 0.00 0.77 0.00 0.00 66.41 67.20 2khs h THR 62 Cb 0.10 0.84 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 2khs h THR 62 CO 0.00 0.01 -0.20 0.11 0.37 0.00 0.00 175.52 175.81 2khs h LYS 63 N 0.03 -0.30 -0.99 6.66 1.57 -1.05 0.16 116.57 122.66 2khs h LYS 63 Ca 0.07 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.90 2khs h LYS 63 Cb 0.09 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.42 2khs h LYS 63 CO -0.13 -0.20 0.65 0.87 -0.57 0.00 0.00 179.45 180.08 2khs h LYS 64 N -0.31 1.26 0.04 3.15 1.57 -0.68 -0.38 116.57 121.22 2khs h LYS 64 Ca 0.06 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2khs h LYS 64 Cb 0.39 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2khs h LYS 64 CO -0.20 0.83 -0.02 0.52 -0.57 0.00 0.00 179.45 180.01 2khs h MET 65 N 1.29 -0.05 0.00 3.15 2.86 -0.73 -2.99 114.93 118.47 2khs h MET 65 Ca 0.38 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.87 2khs h MET 65 Cb -0.07 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 2khs h MET 65 CO -0.11 0.53 -0.76 -0.39 1.06 0.00 0.00 176.91 177.25 2khs h VAL 66 N -0.67 1.44 0.07 -2.22 -1.51 -0.62 -2.01 116.25 110.73 2khs h VAL 66 Ca -0.01 -2.70 -0.25 0.00 -1.23 0.00 0.00 66.70 62.52 2khs h VAL 66 Cb 0.60 2.50 0.00 0.00 -2.13 0.00 0.00 31.29 32.26 2khs h VAL 66 CO 0.01 0.74 -1.09 -0.33 -1.23 0.00 0.00 177.57 175.67 2khs h GLU 67 N 0.00 0.35 0.00 5.19 5.08 -1.20 -3.09 114.58 120.91 2khs h GLU 67 Ca -0.01 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2khs h GLU 67 Cb 1.44 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.84 2khs h GLU 67 CO 0.10 1.17 0.00 -1.71 -1.00 0.00 0.00 179.01 177.56 2khs n ASN 68 N -3.65 0.79 -4.74 1.42 5.15 -1.13 -4.86 115.26 108.25 2khs n ASN 68 Ca -0.08 0.58 -0.42 0.00 -0.60 0.00 0.00 54.58 54.07 2khs n ASN 68 Cb 0.93 -0.79 -0.02 0.00 -0.53 0.00 0.00 39.78 39.37 2khs n ASN 68 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2khs n ALA 69 N -1.78 2.59 -0.04 5.20 0.00 -0.76 -4.94 120.51 120.79 2khs n ALA 69 Ca 0.05 0.38 -0.00 0.00 0.00 0.00 0.00 53.44 53.87 2khs n ALA 69 Cb 0.41 -2.48 -0.00 0.00 0.00 0.00 0.00 19.45 17.39 2khs n ALA 69 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2khs h LYS 70 N 5.27 0.00 -4.91 0.00 1.57 -1.89 -3.44 116.57 113.17 2khs h LYS 70 Ca -0.46 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 57.66 2khs h LYS 70 Cb 1.22 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.30 2khs h LYS 70 CO 0.83 0.00 -0.62 0.15 -0.57 0.00 0.00 179.45 179.24 2khs s LYS 71 N -1.40 3.54 -0.30 3.15 1.02 -1.26 -4.93 119.74 119.57 2khs s LYS 71 Ca -0.00 -0.56 -0.12 0.00 0.02 0.00 0.00 55.97 55.31 2khs s LYS 71 Cb 0.00 -3.35 -0.04 0.00 -0.52 0.00 0.00 37.83 33.92 2khs s LYS 71 CO 0.00 -0.25 0.22 0.42 -0.92 0.00 0.00 175.35 174.83 2khs s ILE 72 N 1.60 5.29 -0.11 2.17 1.01 -1.26 0.74 121.20 130.63 2khs s ILE 72 Ca 0.06 0.10 -0.01 0.00 0.00 0.00 0.00 60.65 60.80 2khs s ILE 72 Cb -0.16 -3.60 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 2khs s ILE 72 CO 0.04 0.17 -0.08 -1.61 0.00 0.00 0.00 174.94 173.45 2khs s GLU 73 N 1.78 3.24 -0.24 2.79 0.41 -0.23 -0.62 118.70 125.82 2khs s GLU 73 Ca 0.07 -0.59 -0.05 0.00 -0.41 0.00 0.00 54.97 54.00 2khs s GLU 73 Cb -0.16 -2.70 -0.00 0.00 -1.78 0.00 0.00 34.13 29.48 2khs s GLU 73 CO 0.11 0.39 -0.01 0.14 -0.49 0.00 0.00 175.26 175.40 2khs s VAL 74 N -0.07 3.54 -0.23 2.63 -7.23 0.31 -0.67 120.40 118.68 2khs s VAL 74 Ca -0.00 -0.55 -0.06 0.00 -1.81 0.00 0.00 61.98 59.56 2khs s VAL 74 Cb -0.13 -2.68 -0.02 0.00 0.56 0.00 0.00 36.38 34.10 2khs s VAL 74 CO 0.03 0.32 0.03 -0.70 -0.31 0.00 0.00 175.10 174.48 2khs s GLU 75 N 1.48 3.60 -0.19 4.82 2.12 0.56 -2.34 118.70 128.75 2khs s GLU 75 Ca 0.05 -0.51 -0.11 0.00 0.36 0.00 0.00 54.97 54.75 2khs s GLU 75 Cb -0.15 -3.21 -0.05 0.00 0.26 0.00 0.00 34.13 30.98 2khs s GLU 75 CO -0.02 -0.14 0.19 -0.06 -0.54 0.00 0.00 175.26 174.70 2khs s PHE 76 N 1.43 3.42 0.27 5.30 0.08 -1.22 -0.05 117.98 127.21 2khs s PHE 76 Ca 0.05 0.42 0.01 0.00 0.12 0.00 0.00 56.93 57.53 2khs s PHE 76 Cb -0.15 -2.23 0.05 0.00 -0.57 0.00 0.00 43.02 40.12 2khs s PHE 76 CO 0.02 0.26 0.37 -0.40 -0.10 0.00 0.00 175.22 175.37 2khs n ASP 77 N 3.59 0.63 0.00 1.36 5.68 -1.26 -4.24 116.55 122.32 2khs n ASP 77 Ca -0.14 -1.50 0.11 0.00 -0.50 0.00 0.00 54.79 52.76 2khs n ASP 77 Cb 0.52 -0.23 0.54 0.00 -1.14 0.00 0.00 41.12 40.81 2khs n ASP 77 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2khs n LYS 78 N -1.66 0.16 0.00 0.11 4.76 -1.26 -4.00 118.16 116.27 2khs n LYS 78 Ca 0.07 0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 2khs n LYS 78 Cb 0.24 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.93 2khs n LYS 78 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2khs n GLY 79 N 0.81 -0.39 3.13 0.72 0.00 -1.26 -5.01 105.19 103.19 2khs n GLY 79 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 2khs n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2khs s GLN 80 N -0.92 0.54 -0.22 1.61 -1.52 -1.26 -5.03 119.66 112.85 2khs s GLN 80 Ca 0.00 -0.40 0.03 0.00 -1.95 0.00 0.00 55.36 53.04 2khs s GLN 80 Cb 0.00 0.22 -0.16 0.00 -0.22 0.00 0.00 33.01 32.86 2khs s GLN 80 CO 0.00 -0.13 -0.18 -2.13 -0.25 0.00 0.00 175.29 172.60 2khs n ARG 81 N 1.32 0.62 -3.85 2.91 0.63 -1.26 -4.13 116.66 112.91 2khs n ARG 81 Ca -0.22 0.12 -0.12 0.00 -0.92 0.00 0.00 57.85 56.71 2khs n ARG 81 Cb 0.56 -1.46 -0.12 0.00 0.45 0.00 0.00 32.46 31.89 2khs n ARG 81 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2khs s THR 82 N -2.46 0.02 0.29 5.15 -4.23 -1.26 -2.05 115.64 111.11 2khs s THR 82 Ca -0.29 -0.20 -0.28 0.00 -1.18 0.00 0.00 61.69 59.74 2khs s THR 82 Cb 0.08 -0.24 -0.09 0.00 1.34 0.00 0.00 72.50 73.58 2khs s THR 82 CO 0.55 -0.11 1.02 -0.62 -0.54 0.00 0.00 174.62 174.92 2khs s ASP 83 N -0.32 7.32 0.37 3.99 -1.08 0.19 -4.92 116.67 122.22 2khs s ASP 83 Ca -0.04 2.09 0.13 0.00 -0.52 0.00 0.00 52.55 54.21 2khs s ASP 83 Cb -0.03 -2.61 0.96 0.00 -1.46 0.00 0.00 42.92 39.78 2khs s ASP 83 CO 0.00 -0.09 1.81 0.50 0.52 0.00 0.00 175.17 177.91 2khs h LYS 84 N 3.64 0.52 -0.37 4.34 3.64 -2.01 -1.30 116.57 125.03 2khs h LYS 84 Ca -0.46 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 2khs h LYS 84 Cb 1.21 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 2khs h LYS 84 CO 0.66 0.35 0.00 0.98 -2.27 0.00 0.00 179.45 179.17 2khs n TYR 85 N -4.62 0.49 -0.61 1.91 9.36 -1.26 -4.85 117.16 117.59 2khs n TYR 85 Ca 0.22 -0.24 0.00 0.00 3.32 0.00 0.00 57.90 61.20 2khs n TYR 85 Cb 0.68 -0.01 0.00 0.00 -0.63 0.00 0.00 39.34 39.38 2khs n TYR 85 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2khs n GLY 86 N 1.02 0.91 3.17 2.98 0.00 -0.50 -5.10 105.19 107.68 2khs n GLY 86 Ca 0.12 -0.16 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 2khs n GLY 86 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2khs s ARG 87 N -1.12 1.56 0.27 1.61 3.52 -1.20 -4.51 118.95 119.09 2khs s ARG 87 Ca 0.00 -0.65 -0.24 0.00 -0.13 0.00 0.00 55.73 54.71 2khs s ARG 87 Cb 0.00 -1.47 -0.09 0.00 -1.56 0.00 0.00 34.95 31.83 2khs s ARG 87 CO 0.00 0.36 0.86 0.20 -0.81 0.00 0.00 175.30 175.91 2khs s GLY 88 N -0.32 2.78 -0.24 8.12 0.00 0.38 0.55 107.32 118.59 2khs s GLY 88 Ca 0.04 0.40 0.00 0.00 0.00 0.00 0.00 44.72 45.17 2khs s GLY 88 CO 0.00 0.84 -0.02 1.08 0.00 0.00 0.00 173.10 175.00 2khs s LEU 89 N -1.88 2.45 0.22 0.66 1.43 -0.87 -0.00 118.68 120.69 2khs s LEU 89 Ca 0.46 -1.22 -0.18 0.00 -1.03 0.00 0.00 54.13 52.15 2khs s LEU 89 Cb -0.19 -1.08 0.03 0.00 0.03 0.00 0.00 46.19 44.97 2khs s LEU 89 CO 0.24 -0.27 0.57 0.00 0.23 0.00 0.00 176.35 177.12 2khs s ALA 90 N 1.46 -0.98 0.07 4.21 0.00 -1.08 -4.57 121.76 120.88 2khs s ALA 90 Ca -0.03 -0.26 -0.15 0.00 0.00 0.00 0.00 51.96 51.53 2khs s ALA 90 Cb -0.18 0.88 -0.06 0.00 0.00 0.00 0.00 23.12 23.75 2khs s ALA 90 CO -0.08 -0.86 0.49 0.71 0.00 0.00 0.00 175.76 176.01 2khs s TYR 91 N -3.89 3.68 -0.09 0.00 2.02 0.93 -1.00 117.35 119.01 2khs s TYR 91 Ca 0.10 1.04 0.01 0.00 -0.37 0.00 0.00 57.07 57.86 2khs s TYR 91 Cb -0.02 -2.34 -0.02 0.00 -0.40 0.00 0.00 41.96 39.18 2khs s TYR 91 CO 0.00 0.55 -0.12 -1.50 -1.57 0.00 0.00 175.55 172.90 2khs s ILE 92 N -1.26 3.20 -0.05 2.71 2.07 -1.26 -0.32 121.20 126.29 2khs s ILE 92 Ca 0.31 -0.64 0.05 0.00 -1.41 0.00 0.00 60.65 58.95 2khs s ILE 92 Cb -0.16 -2.30 -0.02 0.00 0.13 0.00 0.00 42.46 40.10 2khs s ILE 92 CO 0.17 0.56 -0.19 -0.31 -1.91 0.00 0.00 174.94 173.27 2khs s TYR 93 N -0.28 2.57 -0.45 3.50 1.51 0.15 -1.89 117.35 122.46 2khs s TYR 93 Ca 0.02 -0.32 -0.07 0.00 -1.01 0.00 0.00 57.07 55.69 2khs s TYR 93 Cb -0.13 -1.60 0.12 0.00 -0.11 0.00 0.00 41.96 40.24 2khs s TYR 93 CO 0.03 0.06 0.29 0.00 -1.11 0.00 0.00 175.55 174.82 2khs s ALA 94 N -0.58 3.31 -1.22 3.71 0.00 0.23 -1.07 121.76 126.14 2khs s ALA 94 Ca 0.08 -2.53 -0.21 0.00 0.00 0.00 0.00 51.96 49.31 2khs s ALA 94 Cb -0.11 -2.68 0.01 0.00 0.00 0.00 0.00 23.12 20.34 2khs s ALA 94 CO 0.01 -1.86 0.66 -3.47 0.00 0.00 0.00 175.76 171.10 2khs n ASP 95 N 4.80 -3.87 0.00 0.00 2.03 0.23 -1.37 116.55 118.37 2khs n ASP 95 Ca -0.06 -1.11 0.00 0.00 0.52 0.00 0.00 54.79 54.14 2khs n ASP 95 Cb 0.41 -2.73 0.00 0.00 -0.72 0.00 0.00 41.12 38.08 2khs n ASP 95 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2khs n GLY 96 N -1.90 3.01 3.62 0.27 0.00 -1.26 -4.97 105.19 103.96 2khs n GLY 96 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 2khs n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2khs s LYS 97 N -0.25 4.05 -0.61 1.61 1.02 -0.47 -5.00 119.74 120.08 2khs s LYS 97 Ca 0.00 0.43 -0.25 0.00 0.02 0.00 0.00 55.97 56.16 2khs s LYS 97 Cb 0.00 -3.67 0.04 0.00 -0.52 0.00 0.00 37.83 33.68 2khs s LYS 97 CO 0.00 -0.43 1.07 1.41 -0.92 0.00 0.00 175.35 176.48 2khs s MET 98 N 2.47 3.30 0.40 1.68 -2.45 -1.26 0.78 119.30 124.22 2khs s MET 98 Ca 0.25 -0.25 0.15 0.00 -1.25 0.00 0.00 55.69 54.59 2khs s MET 98 Cb -0.15 -4.10 0.83 0.00 1.25 0.00 0.00 34.83 32.65 2khs s MET 98 CO 0.09 -1.72 1.87 0.28 1.05 0.00 0.00 175.02 176.59 2khs h VAL 99 N 6.04 1.15 -0.17 10.11 2.07 -1.73 -3.00 116.25 130.72 2khs h VAL 99 Ca -0.27 -1.13 0.05 0.00 0.82 0.00 0.00 66.70 66.17 2khs h VAL 99 Cb 1.06 1.62 -0.05 0.00 -1.52 0.00 0.00 31.29 32.40 2khs h VAL 99 CO 1.17 0.32 -0.18 -1.13 0.02 0.00 0.00 177.57 177.76 2khs h ASN 100 N 0.00 -0.56 0.84 0.57 -0.73 -1.84 -0.53 115.58 113.33 2khs h ASN 100 Ca -0.00 0.10 -0.18 0.00 1.87 0.00 0.00 56.30 58.09 2khs h ASN 100 Cb 0.60 0.27 -0.02 0.00 0.27 0.00 0.00 38.32 39.43 2khs h ASN 100 CO 0.04 -0.22 -0.88 1.05 -0.37 0.00 0.00 177.43 177.06 2khs h GLU 101 N -0.20 0.02 -0.94 6.67 4.11 -1.87 -3.09 114.58 119.28 2khs h GLU 101 Ca 0.11 -0.02 0.08 0.00 0.07 0.00 0.00 59.36 59.59 2khs h GLU 101 Cb 0.37 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.56 2khs h GLU 101 CO -0.29 0.88 0.61 0.00 0.07 0.00 0.00 179.01 180.27 2khs h ALA 102 N 1.11 1.51 -0.32 1.06 0.00 -1.20 0.67 119.26 122.09 2khs h ALA 102 Ca -0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2khs h ALA 102 Cb 1.54 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 2khs h ALA 102 CO 0.12 0.33 0.19 -0.07 0.00 0.00 0.00 179.25 179.82 2khs h LEU 103 N 1.04 0.38 -0.53 0.00 3.38 -1.05 -1.70 115.31 116.82 2khs h LEU 103 Ca 0.42 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 58.18 2khs h LEU 103 Cb 0.26 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2khs h LEU 103 CO -0.17 0.32 -0.45 0.58 0.09 0.00 0.00 178.44 178.81 2khs h VAL 104 N 0.41 1.30 -0.86 1.22 2.07 -1.03 0.08 116.25 119.44 2khs h VAL 104 Ca 0.11 -1.64 0.04 0.00 0.82 0.00 0.00 66.70 66.04 2khs h VAL 104 Cb 0.01 1.57 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 2khs h VAL 104 CO -0.02 0.52 0.55 0.03 0.02 0.00 0.00 177.57 178.67 2khs h ARG 105 N 0.55 1.02 -0.00 1.57 2.47 0.53 -1.17 114.38 119.35 2khs h ARG 105 Ca 0.04 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 2khs h ARG 105 Cb 0.99 -0.23 0.00 0.00 -1.65 0.00 0.00 29.97 29.08 2khs h ARG 105 CO 0.09 0.67 -0.08 1.04 0.56 0.00 0.00 179.97 182.25 2khs n GLN 106 N -4.57 0.66 -2.60 0.04 1.13 -0.66 -4.90 117.38 106.47 2khs n GLN 106 Ca 0.11 -0.18 -0.13 0.00 -1.94 0.00 0.00 57.00 54.86 2khs n GLN 106 Cb 0.12 -1.50 0.02 0.00 0.11 0.00 0.00 30.24 28.98 2khs n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2khs n GLY 107 N 1.27 -0.08 0.20 1.08 0.00 -0.44 -4.87 105.19 102.34 2khs n GLY 107 Ca 0.15 -0.26 0.13 0.00 0.00 0.00 0.00 46.02 46.04 2khs n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2khs n LEU 108 N -2.38 0.97 -3.86 0.99 4.77 -0.00 -4.88 117.00 112.60 2khs n LEU 108 Ca -0.09 -0.24 -0.09 0.00 -0.03 0.00 0.00 56.01 55.55 2khs n LEU 108 Cb 0.58 -0.14 -0.05 0.00 -2.33 0.00 0.00 43.42 41.48 2khs n LEU 108 CO 0.26 0.19 0.15 0.00 -1.33 0.00 0.00 177.39 176.66 2khs s ALA 109 N -2.62 -0.49 0.11 -1.18 0.00 -1.18 -4.72 121.76 111.68 2khs s ALA 109 Ca 0.21 -0.56 0.03 0.00 0.00 0.00 0.00 51.96 51.63 2khs s ALA 109 Cb 0.19 0.88 -0.04 0.00 0.00 0.00 0.00 23.12 24.15 2khs s ALA 109 CO 0.57 -0.75 0.15 0.21 0.00 0.00 0.00 175.76 175.93 2khs s LYS 110 N -3.93 3.06 0.01 0.00 2.20 0.13 -4.66 119.74 116.55 2khs s LYS 110 Ca 0.14 -0.68 -0.30 0.00 -0.36 0.00 0.00 55.97 54.76 2khs s LYS 110 Cb 0.01 -2.79 -0.04 0.00 -1.51 0.00 0.00 37.83 33.50 2khs s LYS 110 CO -0.00 0.54 1.09 0.54 -0.36 0.00 0.00 175.35 177.16 2khs s VAL 111 N -1.56 4.48 -0.25 4.02 0.11 -1.26 -0.51 120.40 125.43 2khs s VAL 111 Ca 0.31 1.78 -0.19 0.00 -2.93 0.00 0.00 61.98 60.96 2khs s VAL 111 Cb -0.12 -4.14 -0.02 0.00 -1.53 0.00 0.00 36.38 30.57 2khs s VAL 111 CO 0.24 0.11 0.55 0.00 -3.33 0.00 0.00 175.10 172.67 2khs s ALA 112 N 1.27 3.59 0.20 1.54 0.00 -0.10 -4.82 121.76 123.45 2khs s ALA 112 Ca 0.55 -0.54 -0.14 0.00 0.00 0.00 0.00 51.96 51.83 2khs s ALA 112 Cb -0.24 -2.93 -0.07 0.00 0.00 0.00 0.00 23.12 19.87 2khs s ALA 112 CO 0.27 -0.74 0.60 1.52 0.00 0.00 0.00 175.76 177.40 2khs s TYR 113 N 2.33 3.54 0.32 0.00 1.13 -1.26 -3.76 117.35 119.64 2khs s TYR 113 Ca 0.23 1.08 -0.09 0.00 -1.41 0.00 0.00 57.07 56.88 2khs s TYR 113 Cb -0.16 -2.40 -0.07 0.00 -1.10 0.00 0.00 41.96 38.24 2khs s TYR 113 CO 0.09 0.33 0.65 0.08 -2.51 0.00 0.00 175.55 174.19 2khs s VAL 114 N -1.63 4.87 -0.22 -3.49 1.01 -1.26 -5.01 120.40 114.68 2khs s VAL 114 Ca 0.43 0.47 -0.16 0.00 0.00 0.00 0.00 61.98 62.72 2khs s VAL 114 Cb -0.14 -3.69 -0.10 0.00 0.00 0.00 0.00 36.38 32.46 2khs s VAL 114 CO 0.20 -0.30 -0.23 -1.22 0.00 0.00 0.00 175.10 173.54 2khs n TYR 115 N -0.77 0.30 -0.69 5.22 4.02 -1.26 -5.12 117.16 118.86 2khs n TYR 115 Ca 0.01 0.13 0.00 0.00 -0.01 0.00 0.00 57.90 58.03 2khs n TYR 115 Cb 0.53 -0.84 0.00 0.00 -0.02 0.00 0.00 39.34 39.02 2khs n TYR 115 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2khs n LYS 116 N -4.39 -1.47 -0.09 -0.72 4.76 -1.26 -4.35 118.16 110.64 2khs n LYS 116 Ca -0.32 1.21 0.26 0.00 -2.87 0.00 0.00 58.31 56.58 2khs n LYS 116 Cb 0.66 -1.14 0.60 0.00 -1.84 0.00 0.00 35.03 33.30 2khs n LYS 116 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 2khs h PRO 117 N 0.98 0.00 -0.11 1.97 0.13 -2.00 -1.31 132.00 131.66 2khs h PRO 117 Ca 0.00 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.93 2khs h PRO 117 Cb 0.00 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 30.74 2khs h PRO 117 CO 0.00 0.00 -1.06 -1.71 -0.23 0.00 0.00 178.00 175.00 2khs n ASN 118 N -3.48 1.15 0.48 1.44 4.05 -1.26 -4.57 115.26 113.06 2khs n ASN 118 Ca 0.17 -2.01 -0.19 0.00 0.45 0.00 0.00 54.58 53.00 2khs n ASN 118 Cb 1.13 -0.35 -0.09 0.00 1.23 0.00 0.00 39.78 41.70 2khs n ASN 118 CO 0.00 0.00 0.00 -1.13 -3.05 0.00 0.00 177.26 173.08 2khs h ASN 119 N 1.42 -1.05 0.00 1.20 -0.73 -1.43 -3.37 115.58 111.63 2khs h ASN 119 Ca -0.21 0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.00 2khs h ASN 119 Cb 1.73 0.27 0.00 0.00 0.27 0.00 0.00 38.32 40.59 2khs h ASN 119 CO 0.12 -0.72 -0.47 1.07 -0.37 0.00 0.00 177.43 177.05 2khs n THR 120 N -5.47 0.00 0.32 -3.57 5.66 -1.26 -5.14 114.28 104.82 2khs n THR 120 Ca -0.15 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 60.89 2khs n THR 120 Cb 0.49 0.50 0.03 0.00 -1.55 0.00 0.00 70.33 69.80 2khs n THR 120 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59