#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khs s THR 2 N 0.00 0.00 -0.28 0.00 -1.32 -1.26 -5.13 115.64 107.66 2khs s THR 2 Ca 0.00 -0.02 -0.11 0.00 -1.21 0.00 0.00 61.69 60.36 2khs s THR 2 Cb 0.00 -0.94 -0.05 0.00 -1.51 0.00 0.00 72.50 70.00 2khs s THR 2 CO 0.00 -0.01 0.18 -0.55 -2.21 0.00 0.00 174.62 172.03 2khs s SER 3 N -0.14 5.90 -0.01 8.08 0.15 -1.26 -5.06 113.70 121.36 2khs s SER 3 Ca -0.04 -0.05 -0.21 0.00 0.70 0.00 0.00 55.95 56.35 2khs s SER 3 Cb -0.03 -2.09 -0.05 0.00 -1.71 0.00 0.00 66.02 62.13 2khs s SER 3 CO 0.04 -0.06 0.61 0.42 1.20 0.00 0.00 173.24 175.45 2khs s THR 4 N 1.74 4.92 0.00 6.45 -4.23 -1.26 -4.73 115.64 118.52 2khs s THR 4 Ca 0.07 1.27 0.00 0.00 -1.18 0.00 0.00 61.69 61.85 2khs s THR 4 Cb -0.16 -3.94 0.00 0.00 1.34 0.00 0.00 72.50 69.74 2khs s THR 4 CO 0.10 0.40 0.00 0.29 -0.54 0.00 0.00 174.62 174.87 2khs n LYS 5 N 2.82 0.00 0.00 3.99 5.02 -1.26 -4.73 118.16 123.99 2khs n LYS 5 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 2khs n LYS 5 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 2khs n LYS 5 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2khs n LYS 6 N 0.00 -1.86 -3.64 1.97 4.81 -1.26 -5.10 118.16 113.08 2khs n LYS 6 Ca 0.00 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.05 2khs n LYS 6 Cb 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 34.97 2khs n LYS 6 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 2khs s LEU 7 N 0.00 5.56 0.37 3.14 0.05 -1.26 -5.03 118.68 121.50 2khs s LEU 7 Ca 0.00 -2.64 0.06 0.00 0.05 0.00 0.00 54.13 51.60 2khs s LEU 7 Cb 0.00 -1.93 -0.07 0.00 -2.05 0.00 0.00 46.19 42.13 2khs s LEU 7 CO 0.00 -0.46 0.03 -1.00 -0.55 0.00 0.00 176.35 174.37 2khs s HIS 8 N 0.26 2.26 0.44 3.48 3.76 -1.26 -4.72 115.29 119.50 2khs s HIS 8 Ca 0.15 -0.80 -0.25 0.00 -0.15 0.00 0.00 55.06 54.01 2khs s HIS 8 Cb -0.19 -1.54 -0.08 0.00 1.11 0.00 0.00 32.58 31.88 2khs s HIS 8 CO -0.04 0.25 1.29 0.15 -0.85 0.00 0.00 174.74 175.54 2khs s LYS 9 N -3.79 3.77 0.18 1.40 1.02 -1.26 -4.66 119.74 116.40 2khs s LYS 9 Ca 0.36 2.11 0.07 0.00 0.02 0.00 0.00 55.97 58.54 2khs s LYS 9 Cb 0.09 -2.60 -0.04 0.00 -0.52 0.00 0.00 37.83 34.76 2khs s LYS 9 CO 0.17 -0.64 -0.15 -1.21 -0.92 0.00 0.00 175.35 172.59 2khs s GLU 10 N -2.45 1.26 0.44 1.68 2.02 -0.29 -4.93 118.70 116.43 2khs s GLU 10 Ca 0.61 -1.49 -0.23 0.00 0.02 0.00 0.00 54.97 53.88 2khs s GLU 10 Cb -0.37 -1.11 -0.09 0.00 0.10 0.00 0.00 34.13 32.66 2khs s GLU 10 CO 0.46 0.20 1.06 -2.14 0.02 0.00 0.00 175.26 174.87 2khs s PRO 11 N -3.31 3.99 0.05 0.39 0.02 -1.26 -0.94 135.00 133.93 2khs s PRO 11 Ca 0.19 1.50 0.00 0.00 0.02 0.00 0.00 61.00 62.71 2khs s PRO 11 Cb -0.02 -2.38 -0.03 0.00 0.02 0.00 0.00 34.50 32.09 2khs s PRO 11 CO 0.06 -0.30 -0.04 0.00 -0.33 0.00 0.00 177.00 176.39 2khs s ALA 12 N -1.74 0.45 -0.24 -1.55 0.00 0.16 -3.94 121.76 114.90 2khs s ALA 12 Ca 0.62 -0.97 -0.09 0.00 0.00 0.00 0.00 51.96 51.52 2khs s ALA 12 Cb -0.21 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 2khs s ALA 12 CO 0.26 -0.24 0.11 0.99 0.00 0.00 0.00 175.76 176.88 2khs s THR 13 N -2.76 4.82 0.01 0.00 2.01 0.26 -3.82 115.64 116.16 2khs s THR 13 Ca -0.02 -0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.67 2khs s THR 13 Cb -0.01 -3.24 -0.06 0.00 0.01 0.00 0.00 72.50 69.20 2khs s THR 13 CO -0.05 0.35 1.47 -0.22 -0.69 0.00 0.00 174.62 175.47 2khs s LEU 14 N 1.28 4.32 -0.18 4.42 2.96 -1.26 0.30 118.68 130.52 2khs s LEU 14 Ca 0.06 2.19 -0.19 0.00 -0.22 0.00 0.00 54.13 55.97 2khs s LEU 14 Cb -0.14 -3.56 -0.16 0.00 0.50 0.00 0.00 46.19 42.82 2khs s LEU 14 CO 0.05 -0.77 0.20 0.40 -1.32 0.00 0.00 176.35 174.92 2khs h ILE 15 N 4.94 0.82 -1.51 6.68 1.08 -1.15 -3.47 117.51 124.90 2khs h ILE 15 Ca -0.39 -1.93 0.26 0.00 -0.39 0.00 0.00 64.86 62.42 2khs h ILE 15 Cb 1.18 1.86 -0.17 0.00 -3.07 0.00 0.00 36.82 36.62 2khs h ILE 15 CO 0.91 0.28 0.80 -1.59 -0.69 0.00 0.00 178.15 177.86 2khs s LYS 16 N -2.28 0.35 0.03 2.37 -2.85 -0.80 -5.03 119.74 111.53 2khs s LYS 16 Ca -0.24 -0.15 0.00 0.00 -1.00 0.00 0.00 55.97 54.59 2khs s LYS 16 Cb 0.04 0.15 -0.04 0.00 -2.06 0.00 0.00 37.83 35.92 2khs s LYS 16 CO 0.51 -0.16 0.11 0.00 0.10 0.00 0.00 175.35 175.91 2khs s ALA 17 N -2.46 3.68 -0.10 0.59 0.00 -1.26 -0.09 121.76 122.12 2khs s ALA 17 Ca 0.10 -0.90 -0.11 0.00 0.00 0.00 0.00 51.96 51.06 2khs s ALA 17 Cb 0.00 -1.61 -0.05 0.00 0.00 0.00 0.00 23.12 21.47 2khs s ALA 17 CO -0.05 0.74 -0.22 -0.89 0.00 0.00 0.00 175.76 175.34 2khs n ILE 18 N 0.81 1.32 -4.21 0.00 -0.00 -1.01 -4.90 119.36 111.37 2khs n ILE 18 Ca -0.10 0.14 -0.15 0.00 -0.00 0.00 0.00 62.75 62.65 2khs n ILE 18 Cb 0.52 -2.01 -0.09 0.00 -0.00 0.00 0.00 39.64 38.06 2khs n ILE 18 CO 0.00 0.00 0.00 -1.81 -0.00 0.00 0.00 176.55 174.74 2khs s ASP 19 N -6.07 0.70 -1.53 4.38 1.01 0.07 -4.92 116.67 110.30 2khs s ASP 19 Ca -0.20 -1.50 -0.09 0.00 0.71 0.00 0.00 52.55 51.47 2khs s ASP 19 Cb 0.04 0.46 -0.02 0.00 1.01 0.00 0.00 42.92 44.41 2khs s ASP 19 CO 0.28 -0.95 2.76 0.61 0.21 0.00 0.00 175.17 178.08 2khs n GLY 20 N -0.41 4.53 0.56 0.21 0.00 -1.26 -3.17 105.19 105.64 2khs n GLY 20 Ca 0.04 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.39 2khs n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2khs n ASP 21 N 3.20 -0.81 -4.22 1.61 2.03 -1.26 -4.42 116.55 112.68 2khs n ASP 21 Ca 0.73 0.43 -0.32 0.00 0.52 0.00 0.00 54.79 56.14 2khs n ASP 21 Cb 0.24 1.04 -0.16 0.00 -0.72 0.00 0.00 41.12 41.52 2khs n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2khs s THR 22 N -2.00 2.22 0.21 5.18 2.01 -1.19 -0.73 115.64 121.34 2khs s THR 22 Ca 0.00 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.07 2khs s THR 22 Cb 0.00 -1.88 -0.05 0.00 0.01 0.00 0.00 72.50 70.58 2khs s THR 22 CO 0.00 0.55 0.06 0.68 -0.69 0.00 0.00 174.62 175.22 2khs s VAL 23 N 0.56 0.52 -0.19 3.82 -7.23 0.76 -0.75 120.40 117.88 2khs s VAL 23 Ca -0.13 -1.99 0.01 0.00 -1.81 0.00 0.00 61.98 58.07 2khs s VAL 23 Cb -0.17 -2.39 0.03 0.00 0.56 0.00 0.00 36.38 34.41 2khs s VAL 23 CO 0.04 -0.21 -0.17 -0.75 -0.31 0.00 0.00 175.10 173.70 2khs s LYS 24 N -4.00 2.67 0.18 4.82 2.20 0.86 0.26 119.74 126.74 2khs s LYS 24 Ca 0.32 -0.87 0.07 0.00 -0.36 0.00 0.00 55.97 55.12 2khs s LYS 24 Cb 0.07 -2.54 -0.05 0.00 -1.51 0.00 0.00 37.83 33.81 2khs s LYS 24 CO 0.09 -0.29 -0.13 -0.51 -0.36 0.00 0.00 175.35 174.14 2khs s LEU 25 N 1.30 2.54 -0.25 5.43 1.02 -0.35 -0.56 118.68 127.80 2khs s LEU 25 Ca 0.02 -1.00 0.03 0.00 0.02 0.00 0.00 54.13 53.20 2khs s LEU 25 Cb -0.14 -0.59 0.06 0.00 0.02 0.00 0.00 46.19 45.53 2khs s LEU 25 CO -0.11 -0.20 -0.12 -0.32 0.02 0.00 0.00 176.35 175.62 2khs s MET 26 N -3.58 2.33 -0.28 1.70 1.75 0.15 0.02 119.30 121.39 2khs s MET 26 Ca 0.20 -1.29 -0.06 0.00 -1.25 0.00 0.00 55.69 53.30 2khs s MET 26 Cb -0.00 -2.86 0.01 0.00 2.84 0.00 0.00 34.83 34.82 2khs s MET 26 CO 0.05 -0.53 0.05 1.52 -0.65 0.00 0.00 175.02 175.46 2khs s TYR 27 N 1.13 3.13 -1.56 4.11 1.13 0.77 0.90 117.35 126.96 2khs s TYR 27 Ca -0.07 -1.11 0.00 0.00 -1.41 0.00 0.00 57.07 54.48 2khs s TYR 27 Cb -0.19 -2.21 0.00 0.00 -1.10 0.00 0.00 41.96 38.46 2khs s TYR 27 CO -0.06 -0.61 0.00 1.63 -2.51 0.00 0.00 175.55 174.00 2khs n LYS 28 N 4.82 -1.38 -0.26 -3.49 5.02 -1.25 -0.63 118.16 120.99 2khs n LYS 28 Ca -0.15 0.89 0.00 0.00 -2.02 0.00 0.00 58.31 57.03 2khs n LYS 28 Cb 0.48 -5.34 0.00 0.00 -0.02 0.00 0.00 35.03 30.15 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 -0.99 0.70 3.34 0.72 0.00 -1.26 -5.05 105.19 102.65 2khs n GLY 29 Ca -0.20 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.36 2khs n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2khs s GLN 30 N -0.74 2.99 -0.36 1.61 1.11 0.20 -5.04 119.66 119.42 2khs s GLN 30 Ca 0.00 -1.55 -0.29 0.00 0.01 0.00 0.00 55.36 53.53 2khs s GLN 30 Cb 0.00 -4.24 0.01 0.00 -1.01 0.00 0.00 33.01 27.78 2khs s GLN 30 CO 0.00 -1.23 1.20 -2.14 0.01 0.00 0.00 175.29 173.14 2khs s PRO 31 N 1.67 3.88 0.07 2.91 0.02 -1.26 -0.16 135.00 142.13 2khs s PRO 31 Ca 0.04 0.99 0.02 0.00 0.02 0.00 0.00 61.00 62.06 2khs s PRO 31 Cb -0.28 -3.86 -0.03 0.00 0.02 0.00 0.00 34.50 30.35 2khs s PRO 31 CO 0.05 -1.17 -0.07 -1.64 -0.33 0.00 0.00 177.00 173.84 2khs s MET 32 N 4.16 0.69 -0.39 5.54 -1.94 0.10 -4.97 119.30 122.50 2khs s MET 32 Ca 0.51 -1.10 -0.18 0.00 -1.71 0.00 0.00 55.69 53.22 2khs s MET 32 Cb -0.13 -0.20 0.01 0.00 2.01 0.00 0.00 34.83 36.52 2khs s MET 32 CO 0.24 0.00 0.48 0.99 -0.01 0.00 0.00 175.02 176.72 2khs s THR 33 N -2.76 5.03 0.05 2.05 2.01 -1.26 -1.21 115.64 119.54 2khs s THR 33 Ca 0.03 -0.01 -0.08 0.00 0.31 0.00 0.00 61.69 61.94 2khs s THR 33 Cb -0.01 -4.02 -0.05 0.00 0.01 0.00 0.00 72.50 68.44 2khs s THR 33 CO -0.03 -0.35 0.34 -0.36 -0.69 0.00 0.00 174.62 173.53 2khs s PHE 34 N 2.32 3.58 -0.18 4.92 0.40 0.14 0.35 117.98 129.50 2khs s PHE 34 Ca 0.16 0.67 0.01 0.00 -0.60 0.00 0.00 56.93 57.17 2khs s PHE 34 Cb -0.16 -2.07 0.03 0.00 0.51 0.00 0.00 43.02 41.33 2khs s PHE 34 CO 0.14 0.56 -0.14 0.50 0.70 0.00 0.00 175.22 176.98 2khs s ARG 35 N -1.87 2.38 -0.07 0.44 3.00 0.11 -0.17 118.95 122.78 2khs s ARG 35 Ca 0.31 -0.76 -0.29 0.00 -1.00 0.00 0.00 55.73 53.98 2khs s ARG 35 Cb -0.14 -2.36 -0.07 0.00 0.00 0.00 0.00 34.95 32.38 2khs s ARG 35 CO 0.17 -0.31 2.05 -0.51 0.00 0.00 0.00 175.30 176.70 2khs s LEU 36 N 1.39 4.05 0.32 -0.88 1.02 0.10 -3.26 118.68 121.40 2khs s LEU 36 Ca 0.02 2.34 -0.29 0.00 0.02 0.00 0.00 54.13 56.22 2khs s LEU 36 Cb -0.14 -3.52 -0.10 0.00 0.02 0.00 0.00 46.19 42.45 2khs s LEU 36 CO -0.10 -1.40 1.21 -0.76 0.02 0.00 0.00 176.35 175.32 2khs s LEU 37 N 5.92 4.46 -0.00 1.79 1.43 0.14 -2.28 118.68 130.14 2khs s LEU 37 Ca 0.92 2.49 0.00 0.00 -1.03 0.00 0.00 54.13 56.51 2khs s LEU 37 Cb -0.38 -3.67 0.00 0.00 0.03 0.00 0.00 46.19 42.17 2khs s LEU 37 CO 0.39 -0.39 0.00 0.18 0.23 0.00 0.00 176.35 176.76 2khs n LEU 38 N 0.89 0.17 -4.16 1.79 4.77 -1.26 -4.73 117.00 114.47 2khs n LEU 38 Ca -0.00 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.72 2khs n LEU 38 Cb 0.43 -0.85 -0.16 0.00 -2.33 0.00 0.00 43.42 40.52 2khs n LEU 38 CO 0.56 -0.17 -0.51 -0.69 -1.33 0.00 0.00 177.39 175.26 2khs s VAL 39 N -1.83 1.43 -0.25 4.08 1.01 -0.96 -2.74 120.40 121.14 2khs s VAL 39 Ca 0.00 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 2khs s VAL 39 Cb 0.00 -1.21 0.12 0.00 0.00 0.00 0.00 36.38 35.30 2khs s VAL 39 CO 0.00 0.41 0.30 -0.62 0.00 0.00 0.00 175.10 175.19 2khs s ASP 40 N -0.25 1.03 -0.26 3.32 2.15 0.16 -4.19 116.67 118.63 2khs s ASP 40 Ca 0.03 -0.24 0.14 0.00 0.43 0.00 0.00 52.55 52.91 2khs s ASP 40 Cb -0.09 0.70 0.47 0.00 -0.30 0.00 0.00 42.92 43.70 2khs s ASP 40 CO 0.00 -0.34 1.17 0.41 -0.17 0.00 0.00 175.17 176.24 2khs n THR 41 N 5.33 1.95 -2.78 1.71 -1.04 -1.26 -2.45 114.28 115.74 2khs n THR 41 Ca -0.04 -3.53 -0.44 0.00 -2.04 0.00 0.00 64.05 58.01 2khs n THR 41 Cb 0.49 -0.14 0.00 0.00 -1.82 0.00 0.00 70.33 68.86 2khs n THR 41 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2khs n PRO 42 N -0.64 3.45 -4.37 -2.82 -0.05 -1.26 -4.89 135.00 124.42 2khs n PRO 42 Ca 0.28 -3.77 -0.24 0.00 -0.05 0.00 0.00 63.50 59.71 2khs n PRO 42 Cb 0.90 -3.00 -0.17 0.00 -0.05 0.00 0.00 33.50 31.18 2khs n PRO 42 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 175.50 174.24 2khs s GLU 43 N 1.17 1.51 -0.21 0.54 2.02 -1.26 -5.09 118.70 117.37 2khs s GLU 43 Ca 0.42 -0.32 -0.29 0.00 0.02 0.00 0.00 54.97 54.80 2khs s GLU 43 Cb 0.01 -1.34 -0.04 0.00 0.10 0.00 0.00 34.13 32.86 2khs s GLU 43 CO 0.00 -0.05 1.87 0.99 0.02 0.00 0.00 175.26 178.10 2khs s THR 44 N 0.92 3.36 0.10 3.63 2.01 -1.26 -4.85 115.64 119.55 2khs s THR 44 Ca -0.10 0.39 -0.16 0.00 0.31 0.00 0.00 61.69 62.13 2khs s THR 44 Cb -0.15 -3.41 -0.06 0.00 0.01 0.00 0.00 72.50 68.90 2khs s THR 44 CO 0.01 -0.21 1.52 0.11 -0.69 0.00 0.00 174.62 175.36 2khs h LYS 45 N 12.44 0.59 0.00 4.92 1.57 -1.98 -3.48 116.57 130.62 2khs h LYS 45 Ca -0.38 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.19 2khs h LYS 45 Cb 1.19 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.46 2khs h LYS 45 CO 0.99 0.75 0.00 0.72 -0.57 0.00 0.00 179.45 181.34 2khs n HIS 46 N -4.50 0.00 -1.97 -1.35 8.25 -1.26 -4.93 115.22 109.46 2khs n HIS 46 Ca -0.02 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.15 2khs n HIS 46 Cb 0.30 0.00 0.13 0.00 1.12 0.00 0.00 29.99 31.54 2khs n HIS 46 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2khs s PRO 47 N 0.00 1.40 -0.02 -0.41 0.04 -1.26 -5.02 135.00 129.73 2khs s PRO 47 Ca 0.00 -0.21 0.00 0.00 0.04 0.00 0.00 61.00 60.84 2khs s PRO 47 Cb 0.00 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.58 2khs s PRO 47 CO 0.00 -1.91 -0.01 1.63 0.04 0.00 0.00 177.00 176.75 2khs n LYS 48 N -3.45 0.97 0.00 4.56 5.02 -1.26 -4.73 118.16 119.27 2khs n LYS 48 Ca 0.11 0.01 0.14 0.00 -2.02 0.00 0.00 58.31 56.55 2khs n LYS 48 Cb 0.60 -1.04 0.60 0.00 -0.02 0.00 0.00 35.03 35.18 2khs n LYS 48 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2khs n LYS 49 N -2.43 0.49 -3.18 1.97 4.76 -1.26 -4.46 118.16 114.06 2khs n LYS 49 Ca -0.03 -0.15 -0.13 0.00 -2.87 0.00 0.00 58.31 55.14 2khs n LYS 49 Cb 0.54 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 32.18 2khs n LYS 49 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2khs s GLY 50 N -2.61 -0.28 -0.21 0.72 0.00 -1.26 -5.10 107.32 98.59 2khs s GLY 50 Ca 0.25 -0.98 0.01 0.00 0.00 0.00 0.00 44.72 44.00 2khs s GLY 50 CO 0.50 3.00 -0.09 0.14 0.00 0.00 0.00 173.10 176.65 2khs s VAL 51 N 1.02 1.59 0.49 1.40 1.01 -1.26 -4.75 120.40 119.90 2khs s VAL 51 Ca 0.24 -1.06 0.16 0.00 0.00 0.00 0.00 61.98 61.32 2khs s VAL 51 Cb -0.05 -1.72 0.24 0.00 0.00 0.00 0.00 36.38 34.84 2khs s VAL 51 CO -0.07 0.09 2.09 -0.33 0.00 0.00 0.00 175.10 176.87 2khs h GLU 52 N 7.97 0.00 0.00 2.72 3.07 -1.98 -1.40 114.58 124.96 2khs h GLU 52 Ca -0.24 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.62 2khs h GLU 52 Cb 1.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.00 2khs h GLU 52 CO 0.45 0.07 -0.40 0.36 -1.40 0.00 0.00 179.01 178.10 2khs n LYS 53 N -4.45 0.16 -2.24 2.33 2.85 -1.26 -4.96 118.16 110.59 2khs n LYS 53 Ca -0.03 0.07 -0.11 0.00 -1.05 0.00 0.00 58.31 57.19 2khs n LYS 53 Cb 0.15 -1.62 -0.00 0.00 -0.65 0.00 0.00 35.03 32.90 2khs n LYS 53 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2khs n TYR 54 N -1.86 -0.57 -0.20 5.58 4.01 -0.53 -4.95 117.16 118.64 2khs n TYR 54 Ca 0.05 0.02 -0.02 0.00 -0.16 0.00 0.00 57.90 57.79 2khs n TYR 54 Cb 0.39 -2.60 0.05 0.00 -0.31 0.00 0.00 39.34 36.87 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 -0.06 0.31 2.00 2.72 0.00 -1.93 -0.14 103.07 105.98 2khs h GLY 55 Ca -0.26 0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 2khs h GLY 55 CO 0.31 -0.23 -0.14 -2.55 0.00 0.00 0.00 176.54 173.93 2khs h PRO 56 N -0.05 0.00 0.00 4.80 0.11 -1.92 -2.58 132.00 132.35 2khs h PRO 56 Ca 0.28 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.22 2khs h PRO 56 Cb 0.48 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.56 2khs h PRO 56 CO -0.63 0.14 -0.82 0.93 -0.21 0.00 0.00 178.00 177.41 2khs h GLU 57 N 0.00 0.00 -0.17 1.05 4.39 -1.47 -1.68 114.58 116.70 2khs h GLU 57 Ca -0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2khs h GLU 57 Cb 0.35 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 2khs h GLU 57 CO 0.02 0.81 0.08 0.00 -1.16 0.00 0.00 179.01 178.77 2khs h ALA 58 N 1.18 0.22 -0.38 3.43 0.00 -0.79 -0.78 119.26 122.15 2khs h ALA 58 Ca -0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2khs h ALA 58 Cb 1.63 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 2khs h ALA 58 CO 0.11 -0.23 0.09 0.77 0.00 0.00 0.00 179.25 179.98 2khs h SER 59 N 0.15 0.51 -0.23 0.00 0.02 -1.46 -0.46 113.55 112.09 2khs h SER 59 Ca 0.06 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 2khs h SER 59 Cb 0.11 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 2khs h SER 59 CO -0.01 0.52 0.06 0.00 -1.14 0.00 0.00 176.83 176.26 2khs h ALA 60 N 1.56 0.30 -0.80 3.77 0.00 -0.82 -0.23 119.26 123.04 2khs h ALA 60 Ca 0.13 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2khs h ALA 60 Cb 0.22 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2khs h ALA 60 CO -0.00 -0.06 0.49 0.35 0.00 0.00 0.00 179.25 180.02 2khs h PHE 61 N 0.19 1.05 -0.21 0.00 3.57 -0.76 -1.33 116.94 119.45 2khs h PHE 61 Ca 0.07 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.59 2khs h PHE 61 Cb 0.27 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 2khs h PHE 61 CO 0.01 0.70 0.07 1.15 -2.23 0.00 0.00 178.31 178.01 2khs h THR 62 N 1.10 0.95 -0.03 4.41 2.02 -0.80 -0.46 112.91 120.11 2khs h THR 62 Ca 0.29 -0.06 0.03 0.00 0.77 0.00 0.00 66.41 67.43 2khs h THR 62 Cb -0.05 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 2khs h THR 62 CO -0.05 0.03 -0.13 0.11 0.37 0.00 0.00 175.52 175.85 2khs h LYS 63 N 0.17 -0.20 -0.99 6.66 1.57 -0.54 0.06 116.57 123.31 2khs h LYS 63 Ca 0.09 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.92 2khs h LYS 63 Cb 0.06 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.35 2khs h LYS 63 CO -0.09 -0.13 0.65 0.87 -0.57 0.00 0.00 179.45 180.18 2khs h LYS 64 N -0.21 1.22 -0.09 3.15 1.57 -1.00 0.23 116.57 121.45 2khs h LYS 64 Ca 0.06 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 2khs h LYS 64 Cb 0.28 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 2khs h LYS 64 CO -0.15 0.80 -0.09 1.98 -0.57 0.00 0.00 179.45 181.42 2khs h MET 65 N 1.25 0.21 0.06 3.15 4.05 -0.58 -2.79 114.93 120.28 2khs h MET 65 Ca 0.39 -0.11 -0.24 0.00 -0.28 0.00 0.00 59.70 59.46 2khs h MET 65 Cb -0.00 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.80 2khs h MET 65 CO -0.12 0.65 -1.06 -0.39 0.23 0.00 0.00 176.91 176.21 2khs h VAL 66 N -0.21 1.47 0.00 -5.77 -1.51 -0.65 -2.73 116.25 106.85 2khs h VAL 66 Ca 0.01 -2.78 0.00 0.00 -1.23 0.00 0.00 66.70 62.70 2khs h VAL 66 Cb 0.61 2.67 0.00 0.00 -2.13 0.00 0.00 31.29 32.44 2khs h VAL 66 CO 0.02 0.82 0.00 -0.33 -1.23 0.00 0.00 177.57 176.85 2khs h GLU 67 N 0.13 0.00 0.00 5.19 5.08 -0.66 -2.56 114.58 121.76 2khs h GLU 67 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2khs h GLU 67 Cb 1.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.99 2khs h GLU 67 CO 0.17 0.00 -0.50 -1.71 -1.00 0.00 0.00 179.01 175.98 2khs n ASN 68 N -3.01 0.50 -4.73 1.42 5.15 -1.05 -4.92 115.26 108.62 2khs n ASN 68 Ca 0.03 -0.24 -0.41 0.00 -0.60 0.00 0.00 54.58 53.35 2khs n ASN 68 Cb 0.44 0.25 -0.04 0.00 -0.53 0.00 0.00 39.78 39.90 2khs n ASN 68 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2khs s ALA 69 N -3.00 3.26 0.19 5.20 0.00 -0.97 -4.93 121.76 121.51 2khs s ALA 69 Ca 0.11 0.63 0.01 0.00 0.00 0.00 0.00 51.96 52.71 2khs s ALA 69 Cb 0.17 -3.31 0.10 0.00 0.00 0.00 0.00 23.12 20.08 2khs s ALA 69 CO 0.70 -0.12 1.46 1.57 0.00 0.00 0.00 175.76 179.37 2khs h LYS 70 N 5.80 0.34 -4.11 0.00 2.10 -1.91 -3.42 116.57 115.36 2khs h LYS 70 Ca -0.43 -0.27 -0.48 0.00 -2.00 0.00 0.00 60.65 57.47 2khs h LYS 70 Cb 1.21 0.05 -0.36 0.00 -0.90 0.00 0.00 32.23 32.24 2khs h LYS 70 CO 0.73 0.91 -0.79 0.15 -2.00 0.00 0.00 179.45 178.45 2khs s LYS 71 N -3.61 1.21 -0.26 0.07 1.02 -1.26 -5.00 119.74 111.91 2khs s LYS 71 Ca -0.05 -0.17 -0.10 0.00 0.02 0.00 0.00 55.97 55.68 2khs s LYS 71 Cb 0.11 -1.29 -0.04 0.00 -0.52 0.00 0.00 37.83 36.09 2khs s LYS 71 CO 0.83 -0.20 0.15 0.42 -0.92 0.00 0.00 175.35 175.62 2khs s ILE 72 N 1.48 5.05 0.06 2.17 1.09 -1.25 -0.06 121.20 129.74 2khs s ILE 72 Ca -0.01 0.08 0.09 0.00 -1.10 0.00 0.00 60.65 59.71 2khs s ILE 72 Cb -0.13 -3.38 -0.03 0.00 -1.06 0.00 0.00 42.46 37.86 2khs s ILE 72 CO -0.04 0.30 -0.25 -1.61 -0.10 0.00 0.00 174.94 173.24 2khs s GLU 73 N 1.51 1.80 -0.07 2.79 2.02 0.76 0.39 118.70 127.90 2khs s GLU 73 Ca 0.07 -1.12 0.05 0.00 0.02 0.00 0.00 54.97 53.99 2khs s GLU 73 Cb -0.15 -2.02 -0.01 0.00 0.10 0.00 0.00 34.13 32.06 2khs s GLU 73 CO 0.07 0.51 -0.23 0.14 0.02 0.00 0.00 175.26 175.77 2khs s VAL 74 N -0.88 1.96 -0.02 2.63 -7.23 -0.12 -0.39 120.40 116.34 2khs s VAL 74 Ca 0.13 -0.99 0.01 0.00 -1.81 0.00 0.00 61.98 59.32 2khs s VAL 74 Cb -0.10 -1.67 0.01 0.00 0.56 0.00 0.00 36.38 35.18 2khs s VAL 74 CO 0.04 0.54 -0.04 -0.70 -0.31 0.00 0.00 175.10 174.63 2khs s GLU 75 N 0.05 0.56 0.11 4.82 2.12 -0.77 -1.13 118.70 124.45 2khs s GLU 75 Ca -0.09 -0.11 -0.06 0.00 0.36 0.00 0.00 54.97 55.06 2khs s GLU 75 Cb -0.15 -0.59 -0.06 0.00 0.26 0.00 0.00 34.13 33.60 2khs s GLU 75 CO 0.05 0.00 0.37 -0.06 -0.54 0.00 0.00 175.26 175.09 2khs s PHE 76 N 0.45 3.51 0.58 5.30 0.08 -1.26 0.43 117.98 127.07 2khs s PHE 76 Ca -0.05 0.63 -0.06 0.00 0.12 0.00 0.00 56.93 57.56 2khs s PHE 76 Cb -0.09 -2.05 -0.00 0.00 -0.57 0.00 0.00 43.02 40.31 2khs s PHE 76 CO -0.00 0.47 0.90 0.34 -0.10 0.00 0.00 175.22 176.83 2khs s ASP 77 N -2.16 5.73 0.00 1.36 2.15 -1.26 -4.78 116.67 117.71 2khs s ASP 77 Ca 0.37 0.81 0.20 0.00 0.43 0.00 0.00 52.55 54.36 2khs s ASP 77 Cb -0.13 -1.85 0.99 0.00 -0.30 0.00 0.00 42.92 41.63 2khs s ASP 77 CO 0.22 -0.99 1.62 2.29 -0.17 0.00 0.00 175.17 178.14 2khs n LYS 78 N -2.56 0.26 0.00 4.34 2.85 -1.26 -4.33 118.16 117.46 2khs n LYS 78 Ca 0.04 0.10 0.00 0.00 -1.05 0.00 0.00 58.31 57.40 2khs n LYS 78 Cb 0.57 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.45 2khs n LYS 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2khs n GLY 79 N 0.40 0.28 3.78 2.58 0.00 -1.26 -5.02 105.19 105.95 2khs n GLY 79 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 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 0.76 4.11 -0.07 1.61 1.11 -1.26 -4.93 119.66 120.99 2khs s GLN 80 Ca 0.00 0.35 0.08 0.00 0.01 0.00 0.00 55.36 55.80 2khs s GLN 80 Cb 0.00 -3.33 -0.11 0.00 -1.01 0.00 0.00 33.01 28.56 2khs s GLN 80 CO 0.00 0.44 0.07 0.54 0.01 0.00 0.00 175.29 176.35 2khs n ARG 81 N 2.74 2.06 -3.81 2.91 1.74 -1.26 -4.15 116.66 116.90 2khs n ARG 81 Ca -0.11 -0.02 -0.14 0.00 -0.77 0.00 0.00 57.85 56.80 2khs n ARG 81 Cb 0.52 -1.22 -0.15 0.00 -1.02 0.00 0.00 32.46 30.59 2khs n ARG 81 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2khs s THR 82 N -2.31 -0.04 0.03 0.55 -4.23 -1.26 -1.45 115.64 106.94 2khs s THR 82 Ca -0.04 0.13 -0.05 0.00 -1.18 0.00 0.00 61.69 60.55 2khs s THR 82 Cb 0.03 -0.06 -0.05 0.00 1.34 0.00 0.00 72.50 73.76 2khs s THR 82 CO 0.35 0.05 0.27 -0.62 -0.54 0.00 0.00 174.62 174.13 2khs s ASP 83 N 0.66 6.46 0.18 3.99 2.15 0.23 -4.91 116.67 125.44 2khs s ASP 83 Ca -0.05 0.50 0.19 0.00 0.43 0.00 0.00 52.55 53.62 2khs s ASP 83 Cb -0.08 -2.06 0.85 0.00 -0.30 0.00 0.00 42.92 41.33 2khs s ASP 83 CO -0.02 0.21 1.60 2.29 -0.17 0.00 0.00 175.17 179.08 2khs n LYS 84 N 0.81 0.13 0.00 4.34 2.85 -1.26 -1.38 118.16 123.65 2khs n LYS 84 Ca -0.09 0.41 0.14 0.00 -1.05 0.00 0.00 58.31 57.73 2khs n LYS 84 Cb 0.52 -1.77 0.60 0.00 -0.65 0.00 0.00 35.03 33.73 2khs n LYS 84 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33 2khs n TYR 85 N -2.01 0.00 -0.89 5.58 9.36 -1.26 -4.91 117.16 123.03 2khs n TYR 85 Ca 0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.24 2khs n TYR 85 Cb 0.17 -0.03 0.00 0.00 -0.63 0.00 0.00 39.34 38.86 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 1.17 0.68 3.10 2.98 0.00 -0.48 -5.10 105.19 107.54 2khs n GLY 86 Ca 0.19 -0.39 -0.19 0.00 0.00 0.00 0.00 46.02 45.62 2khs n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2khs s ARG 87 N -2.00 0.88 -0.23 1.61 0.52 -1.17 -4.56 118.95 113.99 2khs s ARG 87 Ca 0.00 -0.62 -0.20 0.00 -0.52 0.00 0.00 55.73 54.40 2khs s ARG 87 Cb 0.00 -0.86 -0.02 0.00 0.52 0.00 0.00 34.95 34.59 2khs s ARG 87 CO 0.00 0.22 0.59 0.20 0.02 0.00 0.00 175.30 176.33 2khs s GLY 88 N -0.84 1.92 -0.43 -3.53 0.00 0.16 -0.60 107.32 103.99 2khs s GLY 88 Ca 0.02 -0.41 -0.14 0.00 0.00 0.00 0.00 44.72 44.18 2khs s GLY 88 CO 0.01 1.32 0.32 1.08 0.00 0.00 0.00 173.10 175.83 2khs s LEU 89 N 2.19 5.28 0.22 0.66 1.43 -0.53 -0.71 118.68 127.23 2khs s LEU 89 Ca 0.26 -1.16 -0.15 0.00 -1.03 0.00 0.00 54.13 52.04 2khs s LEU 89 Cb -0.16 -2.13 0.01 0.00 0.03 0.00 0.00 46.19 43.94 2khs s LEU 89 CO 0.09 -0.54 0.51 0.00 0.23 0.00 0.00 176.35 176.64 2khs s ALA 90 N 1.62 -0.62 0.15 4.21 0.00 -1.20 -4.31 121.76 121.61 2khs s ALA 90 Ca 0.04 -0.54 -0.20 0.00 0.00 0.00 0.00 51.96 51.26 2khs s ALA 90 Cb -0.22 0.93 -0.07 0.00 0.00 0.00 0.00 23.12 23.76 2khs s ALA 90 CO 0.07 -0.84 0.65 0.71 0.00 0.00 0.00 175.76 176.36 2khs s TYR 91 N -3.94 3.74 -0.21 0.00 2.02 0.17 -0.68 117.35 118.44 2khs s TYR 91 Ca 0.15 1.34 -0.05 0.00 -0.37 0.00 0.00 57.07 58.14 2khs s TYR 91 Cb -0.01 -2.57 -0.02 0.00 -0.40 0.00 0.00 41.96 38.96 2khs s TYR 91 CO 0.03 0.47 0.01 0.42 -1.57 0.00 0.00 175.55 174.91 2khs s ILE 92 N -1.31 3.98 0.12 2.71 -1.09 -1.26 -1.85 121.20 122.50 2khs s ILE 92 Ca 0.36 -0.30 0.09 0.00 -2.23 0.00 0.00 60.65 58.57 2khs s ILE 92 Cb -0.18 -2.81 -0.04 0.00 -1.58 0.00 0.00 42.46 37.84 2khs s ILE 92 CO 0.21 0.41 -0.16 -0.31 -1.23 0.00 0.00 174.94 173.86 2khs s TYR 93 N 1.16 2.58 -0.34 3.97 1.51 0.47 -1.28 117.35 125.43 2khs s TYR 93 Ca 0.03 -0.24 0.04 0.00 -1.01 0.00 0.00 57.07 55.89 2khs s TYR 93 Cb -0.14 -1.35 0.10 0.00 -0.11 0.00 0.00 41.96 40.45 2khs s TYR 93 CO 0.02 0.41 0.05 0.00 -1.11 0.00 0.00 175.55 174.92 2khs s ALA 94 N -1.22 2.84 -1.25 3.71 0.00 0.21 -0.17 121.76 125.88 2khs s ALA 94 Ca 0.19 -2.50 -0.24 0.00 0.00 0.00 0.00 51.96 49.41 2khs s ALA 94 Cb -0.10 -1.95 0.02 0.00 0.00 0.00 0.00 23.12 21.08 2khs s ALA 94 CO 0.11 -1.69 0.62 -0.40 0.00 0.00 0.00 175.76 174.40 2khs n ASP 95 N 4.27 -3.58 0.00 0.00 5.75 0.91 -1.21 116.55 122.69 2khs n ASP 95 Ca 0.04 -1.18 0.00 0.00 -0.01 0.00 0.00 54.79 53.63 2khs n ASP 95 Cb 0.42 -2.32 0.00 0.00 -1.03 0.00 0.00 41.12 38.19 2khs n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2khs n GLY 96 N -2.01 3.14 3.66 6.12 0.00 -1.26 -5.00 105.19 109.83 2khs n GLY 96 Ca -0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.41 4.16 -0.31 1.61 1.02 -0.35 -5.02 119.74 120.44 2khs s LYS 97 Ca 0.00 0.29 -0.29 0.00 0.02 0.00 0.00 55.97 55.99 2khs s LYS 97 Cb 0.00 -3.57 0.01 0.00 -0.52 0.00 0.00 37.83 33.75 2khs s LYS 97 CO 0.00 -0.14 1.13 0.00 -0.92 0.00 0.00 175.35 175.42 2khs s MET 98 N 1.61 4.05 0.39 1.68 0.23 -1.26 0.66 119.30 126.66 2khs s MET 98 Ca 0.21 1.14 0.11 0.00 -1.03 0.00 0.00 55.69 56.11 2khs s MET 98 Cb -0.15 -3.76 0.78 0.00 -1.53 0.00 0.00 34.83 30.16 2khs s MET 98 CO 0.09 -0.93 1.89 0.28 -2.03 0.00 0.00 175.02 174.32 2khs h VAL 99 N 5.76 1.20 -0.08 5.16 2.07 -1.52 -2.33 116.25 126.50 2khs h VAL 99 Ca -0.22 -0.91 -0.06 0.00 0.82 0.00 0.00 66.70 66.34 2khs h VAL 99 Cb 1.07 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 2khs h VAL 99 CO 1.03 0.27 -0.21 -0.55 0.02 0.00 0.00 177.57 178.13 2khs h ASN 100 N 0.14 0.12 0.12 0.57 -1.07 -1.90 -1.05 115.58 112.51 2khs h ASN 100 Ca 0.03 -0.03 -0.01 0.00 0.07 0.00 0.00 56.30 56.36 2khs h ASN 100 Cb 0.46 -0.03 0.00 0.00 -2.07 0.00 0.00 38.32 36.67 2khs h ASN 100 CO 0.03 0.35 -0.06 -0.08 0.07 0.00 0.00 177.43 177.74 2khs h GLU 101 N 0.12 -0.16 -0.52 4.14 4.57 -1.78 -2.67 114.58 118.28 2khs h GLU 101 Ca 0.02 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.25 2khs h GLU 101 Cb 0.45 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.03 2khs h GLU 101 CO 0.03 0.06 0.27 0.00 -1.18 0.00 0.00 179.01 178.19 2khs h ALA 102 N 0.50 0.66 -0.80 2.92 0.00 -1.33 0.64 119.26 121.86 2khs h ALA 102 Ca -0.02 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2khs h ALA 102 Cb 0.29 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2khs h ALA 102 CO 0.03 -0.06 0.43 -0.07 0.00 0.00 0.00 179.25 179.58 2khs h LEU 103 N 0.53 1.00 -0.23 0.00 3.38 -1.23 -1.14 115.31 117.63 2khs h LEU 103 Ca 0.23 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 2khs h LEU 103 Cb 0.12 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 2khs h LEU 103 CO -0.15 0.82 -0.33 0.58 0.09 0.00 0.00 178.44 179.45 2khs h VAL 104 N 1.11 1.32 0.00 1.22 2.07 -1.04 0.18 116.25 121.12 2khs h VAL 104 Ca 0.28 -1.53 -0.05 0.00 0.82 0.00 0.00 66.70 66.22 2khs h VAL 104 Cb 0.04 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 2khs h VAL 104 CO -0.04 0.48 -0.24 0.03 0.02 0.00 0.00 177.57 177.81 2khs h ARG 105 N 0.32 0.00 -0.01 1.57 3.08 -0.64 -1.65 114.38 117.04 2khs h ARG 105 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2khs h ARG 105 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.96 2khs h ARG 105 CO 0.08 0.24 -0.29 1.04 -1.07 0.00 0.00 179.97 179.97 2khs n GLN 106 N -3.76 1.10 -3.14 0.04 1.13 -0.45 -4.95 117.38 107.34 2khs n GLN 106 Ca -0.01 -0.76 -0.14 0.00 -1.94 0.00 0.00 57.00 54.14 2khs n GLN 106 Cb 0.35 -1.48 0.06 0.00 0.11 0.00 0.00 30.24 29.27 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 1.35 -0.09 0.44 1.08 0.00 -0.62 -4.92 105.19 102.44 2khs n GLY 107 Ca 0.12 -0.06 0.04 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.40 2.47 -3.86 0.99 4.77 0.59 -5.00 117.00 113.56 2khs n LEU 108 Ca -0.08 -1.78 -0.07 0.00 -0.03 0.00 0.00 56.01 54.04 2khs n LEU 108 Cb 0.57 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 2khs n LEU 108 CO 0.43 0.60 0.46 0.00 -1.33 0.00 0.00 177.39 177.55 2khs s ALA 109 N -0.93 -1.09 0.29 -1.18 0.00 -1.16 -4.75 121.76 112.93 2khs s ALA 109 Ca 0.15 -0.40 0.11 0.00 0.00 0.00 0.00 51.96 51.82 2khs s ALA 109 Cb 0.08 0.85 -0.05 0.00 0.00 0.00 0.00 23.12 24.00 2khs s ALA 109 CO 0.11 -1.02 -0.16 0.15 0.00 0.00 0.00 175.76 174.84 2khs s LYS 110 N -3.74 1.67 0.48 0.00 1.02 -1.03 -4.67 119.74 113.48 2khs s LYS 110 Ca 0.12 -1.79 -0.20 0.00 0.02 0.00 0.00 55.97 54.12 2khs s LYS 110 Cb -0.06 -1.66 -0.09 0.00 -0.52 0.00 0.00 37.83 35.51 2khs s LYS 110 CO 0.08 0.25 1.01 0.54 -0.92 0.00 0.00 175.35 176.31 2khs s VAL 111 N -2.61 4.00 -0.12 3.17 0.11 -1.26 0.36 120.40 124.05 2khs s VAL 111 Ca 0.30 1.20 -0.23 0.00 -2.93 0.00 0.00 61.98 60.31 2khs s VAL 111 Cb -0.02 -3.50 -0.03 0.00 -1.53 0.00 0.00 36.38 31.30 2khs s VAL 111 CO 0.14 -0.32 0.71 0.00 -3.33 0.00 0.00 175.10 172.30 2khs s ALA 112 N -2.12 3.43 -0.43 1.54 0.00 -1.11 -4.38 121.76 118.69 2khs s ALA 112 Ca 0.65 -0.00 -0.28 0.00 0.00 0.00 0.00 51.96 52.33 2khs s ALA 112 Cb -0.14 -3.01 -0.01 0.00 0.00 0.00 0.00 23.12 19.96 2khs s ALA 112 CO 0.20 -0.34 1.67 -0.47 0.00 0.00 0.00 175.76 176.83 2khs s TYR 113 N 1.38 1.98 0.15 0.00 6.14 -1.26 -4.58 117.35 121.16 2khs s TYR 113 Ca 0.35 0.65 -0.02 0.00 0.64 0.00 0.00 57.07 58.69 2khs s TYR 113 Cb -0.17 -4.20 -0.05 0.00 0.42 0.00 0.00 41.96 37.97 2khs s TYR 113 CO 0.15 -2.47 0.35 0.08 0.64 0.00 0.00 175.55 174.30 2khs s VAL 114 N 6.87 5.23 0.02 3.14 1.01 -1.26 -5.08 120.40 130.32 2khs s VAL 114 Ca 0.70 -0.24 -0.25 0.00 0.00 0.00 0.00 61.98 62.19 2khs s VAL 114 Cb -0.17 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 2khs s VAL 114 CO 0.30 -0.04 0.76 -0.31 0.00 0.00 0.00 175.10 175.80 2khs s TYR 115 N -1.73 3.70 0.31 5.22 1.51 -1.26 -5.07 117.35 120.03 2khs s TYR 115 Ca 0.39 1.43 0.01 0.00 -1.01 0.00 0.00 57.07 57.88 2khs s TYR 115 Cb -0.12 -2.82 -0.03 0.00 -0.11 0.00 0.00 41.96 38.88 2khs s TYR 115 CO 0.27 0.22 0.51 0.15 -1.11 0.00 0.00 175.55 175.59 2khs s LYS 116 N 0.17 3.49 0.34 -0.62 3.01 -1.26 -5.00 119.74 119.88 2khs s LYS 116 Ca 0.39 -0.37 0.03 0.00 -1.01 0.00 0.00 55.97 55.01 2khs s LYS 116 Cb -0.20 -2.71 0.65 0.00 -1.01 0.00 0.00 37.83 34.56 2khs s LYS 116 CO 0.22 0.22 1.96 -1.00 0.51 0.00 0.00 175.35 177.26 2khs h PRO 117 N 1.01 0.84 0.00 -1.68 0.13 -1.99 -3.46 132.00 126.85 2khs h PRO 117 Ca -0.50 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 2khs h PRO 117 Cb 1.22 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2khs h PRO 117 CO 0.62 0.55 0.00 -1.71 -0.23 0.00 0.00 178.00 177.24 2khs n ASN 118 N -4.46 0.00 0.00 1.44 5.15 -1.26 -3.34 115.26 112.79 2khs n ASN 118 Ca 0.10 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.08 2khs n ASN 118 Cb 0.16 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.41 2khs n ASN 118 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2khs n ASN 119 N 2.21 0.00 -2.71 1.20 4.13 -1.26 -5.03 115.26 113.81 2khs n ASN 119 Ca 0.00 0.00 -0.05 0.00 1.68 0.00 0.00 54.58 56.21 2khs n ASN 119 Cb 0.00 0.00 0.04 0.00 -1.54 0.00 0.00 39.78 38.28 2khs n ASN 119 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 2khs n THR 120 N -0.93 0.00 -0.59 3.41 -2.24 -1.22 -5.25 114.28 107.46 2khs n THR 120 Ca 0.00 -0.83 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 2khs n THR 120 Cb 0.00 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 2khs n THR 120 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07