#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 -0.25 -0.10 0.00 2.01 -1.26 -5.12 115.64 110.92 2khs s THR 2 Ca 0.00 -0.13 -0.08 0.00 0.31 0.00 0.00 61.69 61.79 2khs s THR 2 Cb 0.00 -0.64 0.03 0.00 0.01 0.00 0.00 72.50 71.90 2khs s THR 2 CO 0.00 -0.23 0.26 -0.44 -0.69 0.00 0.00 174.62 173.52 2khs s SER 3 N 2.27 -0.28 0.00 3.53 0.01 -1.26 -5.10 113.70 112.87 2khs s SER 3 Ca 0.05 0.53 0.00 0.00 1.31 0.00 0.00 55.95 57.85 2khs s SER 3 Cb -0.16 0.52 0.00 0.00 0.21 0.00 0.00 66.02 66.59 2khs s SER 3 CO -0.11 -0.11 0.00 0.41 0.41 0.00 0.00 173.24 173.84 2khs n THR 4 N 3.18 0.00 -2.02 1.44 -1.04 -1.26 -5.04 114.28 109.53 2khs n THR 4 Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 2khs n THR 4 Cb 0.57 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 69.08 2khs n THR 4 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2khs n LYS 5 N -0.58 0.00 -3.83 -2.82 4.81 -1.26 -5.09 118.16 109.39 2khs n LYS 5 Ca 0.00 -0.77 -0.10 0.00 -0.87 0.00 0.00 58.31 56.57 2khs n LYS 5 Cb 0.00 -0.33 -0.06 0.00 0.02 0.00 0.00 35.03 34.67 2khs n LYS 5 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 2khs s LYS 6 N 0.00 1.14 0.00 1.64 -2.85 -1.26 -5.18 119.74 113.24 2khs s LYS 6 Ca 0.01 -0.98 0.00 0.00 -1.00 0.00 0.00 55.97 54.00 2khs s LYS 6 Cb 0.02 0.42 0.00 0.00 -2.06 0.00 0.00 37.83 36.21 2khs s LYS 6 CO -0.01 -0.44 0.00 1.28 0.10 0.00 0.00 175.35 176.29 2khs n LEU 7 N -0.22 0.00 -4.82 2.77 4.32 -1.26 -4.98 117.00 112.81 2khs n LEU 7 Ca -0.11 0.00 -0.38 0.00 -0.02 0.00 0.00 56.01 55.50 2khs n LEU 7 Cb 0.63 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.37 2khs n LEU 7 CO 0.21 -0.00 0.16 -2.28 -1.22 0.00 0.00 177.39 174.26 2khs s HIS 8 N 1.09 3.75 0.27 -1.77 5.65 -1.26 -4.87 115.29 118.14 2khs s HIS 8 Ca 0.00 1.08 0.11 0.00 0.25 0.00 0.00 55.06 56.50 2khs s HIS 8 Cb 0.00 -2.37 -0.05 0.00 -1.18 0.00 0.00 32.58 28.99 2khs s HIS 8 CO 0.00 0.61 -0.09 -1.59 -0.65 0.00 0.00 174.74 173.01 2khs s LYS 9 N -1.01 2.01 0.11 2.88 -2.85 -1.26 -2.45 119.74 117.17 2khs s LYS 9 Ca 0.25 -1.56 0.02 0.00 -1.00 0.00 0.00 55.97 53.69 2khs s LYS 9 Cb -0.18 -1.99 -0.04 0.00 -2.06 0.00 0.00 37.83 33.56 2khs s LYS 9 CO 0.15 0.35 -0.08 -1.21 0.10 0.00 0.00 175.35 174.67 2khs s GLU 10 N -3.55 0.89 0.22 1.78 0.41 -0.45 -4.93 118.70 113.07 2khs s GLU 10 Ca 0.30 -1.35 -0.28 0.00 -0.41 0.00 0.00 54.97 53.23 2khs s GLU 10 Cb -0.06 -0.32 -0.09 0.00 -1.78 0.00 0.00 34.13 31.89 2khs s GLU 10 CO 0.17 0.01 0.87 -2.14 -0.49 0.00 0.00 175.26 173.69 2khs s PRO 11 N -3.77 4.71 0.23 0.39 0.02 -1.26 -0.01 135.00 135.31 2khs s PRO 11 Ca 0.13 1.33 0.06 0.00 0.02 0.00 0.00 61.00 62.54 2khs s PRO 11 Cb 0.04 -3.22 -0.05 0.00 0.02 0.00 0.00 34.50 31.29 2khs s PRO 11 CO -0.03 0.52 -0.08 0.00 -0.33 0.00 0.00 177.00 177.07 2khs s ALA 12 N -1.22 2.04 -0.17 -1.55 0.00 0.15 -4.26 121.76 116.76 2khs s ALA 12 Ca 0.40 -1.75 -0.11 0.00 0.00 0.00 0.00 51.96 50.49 2khs s ALA 12 Cb -0.24 0.14 -0.05 0.00 0.00 0.00 0.00 23.12 22.97 2khs s ALA 12 CO 0.29 -0.06 0.21 0.99 0.00 0.00 0.00 175.76 177.18 2khs s THR 13 N -3.11 5.36 -0.20 0.00 2.01 0.19 -4.10 115.64 115.80 2khs s THR 13 Ca 0.26 0.37 -0.25 0.00 0.31 0.00 0.00 61.69 62.37 2khs s THR 13 Cb 0.03 -3.54 -0.01 0.00 0.01 0.00 0.00 72.50 68.99 2khs s THR 13 CO 0.08 0.44 0.85 -0.22 -0.69 0.00 0.00 174.62 175.08 2khs s LEU 14 N 0.21 4.14 -0.15 4.42 2.96 -1.26 -0.32 118.68 128.67 2khs s LEU 14 Ca 0.13 1.14 -0.12 0.00 -0.22 0.00 0.00 54.13 55.06 2khs s LEU 14 Cb -0.12 -3.24 -0.04 0.00 0.50 0.00 0.00 46.19 43.29 2khs s LEU 14 CO 0.02 -0.46 -0.22 -0.38 -1.32 0.00 0.00 176.35 173.99 2khs n ILE 15 N 4.95 1.44 -3.59 6.68 5.41 -0.38 -4.96 119.36 128.90 2khs n ILE 15 Ca 0.05 0.19 -0.15 0.00 1.00 0.00 0.00 62.75 63.84 2khs n ILE 15 Cb 0.48 -2.37 -0.07 0.00 -0.71 0.00 0.00 39.64 36.97 2khs n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2khs s LYS 16 N -2.43 0.86 -0.45 0.38 2.20 -1.09 -5.02 119.74 114.18 2khs s LYS 16 Ca -0.19 0.69 -0.18 0.00 -0.36 0.00 0.00 55.97 55.93 2khs s LYS 16 Cb 0.03 0.42 0.04 0.00 -1.51 0.00 0.00 37.83 36.80 2khs s LYS 16 CO 0.29 -0.17 0.49 0.00 -0.36 0.00 0.00 175.35 175.59 2khs s ALA 17 N -0.19 3.43 -0.14 3.13 0.00 -1.26 -0.19 121.76 126.54 2khs s ALA 17 Ca -0.03 -1.63 -0.18 0.00 0.00 0.00 0.00 51.96 50.12 2khs s ALA 17 Cb -0.03 -3.14 -0.15 0.00 0.00 0.00 0.00 23.12 19.79 2khs s ALA 17 CO 0.03 -1.72 0.40 0.82 0.00 0.00 0.00 175.76 175.29 2khs h ILE 18 N 5.77 1.00 -4.16 0.00 2.04 -1.63 -3.46 117.51 117.08 2khs h ILE 18 Ca -0.27 -1.81 -0.32 0.00 1.00 0.00 0.00 64.86 63.46 2khs h ILE 18 Cb 1.11 1.95 -0.07 0.00 -0.74 0.00 0.00 36.82 39.07 2khs h ILE 18 CO 0.85 0.34 -0.26 0.47 0.00 0.00 0.00 178.15 179.55 2khs n ASP 19 N -4.64 1.43 -2.49 1.72 8.00 0.94 -4.81 116.55 116.70 2khs n ASP 19 Ca -0.09 -2.23 -0.31 0.00 0.71 0.00 0.00 54.79 52.88 2khs n ASP 19 Cb 0.34 0.51 0.01 0.00 -0.02 0.00 0.00 41.12 41.96 2khs n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2khs n GLY 20 N 0.78 4.94 0.88 0.44 0.00 -1.26 -3.91 105.19 107.05 2khs n GLY 20 Ca -0.05 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 43.96 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 0.03 -0.52 -4.60 1.61 -0.08 -1.26 -4.83 116.55 106.89 2khs n ASP 21 Ca 0.50 0.19 -0.41 0.00 -1.51 0.00 0.00 54.79 53.56 2khs n ASP 21 Cb 0.48 0.72 -0.07 0.00 2.34 0.00 0.00 41.12 44.59 2khs n ASP 21 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2khs s THR 22 N -2.00 5.01 0.06 5.18 2.01 -1.25 -1.31 115.64 123.34 2khs s THR 22 Ca 0.00 0.83 0.04 0.00 0.31 0.00 0.00 61.69 62.87 2khs s THR 22 Cb 0.00 -3.91 -0.03 0.00 0.01 0.00 0.00 72.50 68.57 2khs s THR 22 CO 0.00 -0.03 -0.11 0.68 -0.69 0.00 0.00 174.62 174.47 2khs s VAL 23 N 2.44 0.86 -0.24 3.82 -7.23 0.01 -0.04 120.40 120.03 2khs s VAL 23 Ca 0.23 -1.29 -0.01 0.00 -1.81 0.00 0.00 61.98 59.10 2khs s VAL 23 Cb -0.15 -0.95 0.02 0.00 0.56 0.00 0.00 36.38 35.86 2khs s VAL 23 CO 0.10 -0.35 -0.09 -0.75 -0.31 0.00 0.00 175.10 173.71 2khs s LYS 24 N -1.88 2.87 0.22 4.82 2.20 0.73 0.56 119.74 129.26 2khs s LYS 24 Ca -0.04 -0.95 0.09 0.00 -0.36 0.00 0.00 55.97 54.72 2khs s LYS 24 Cb -0.09 -2.91 -0.05 0.00 -1.51 0.00 0.00 37.83 33.27 2khs s LYS 24 CO 0.01 -0.36 -0.17 -0.51 -0.36 0.00 0.00 175.35 173.96 2khs s LEU 25 N 1.32 2.55 -0.24 5.43 1.02 -0.72 -1.25 118.68 126.78 2khs s LEU 25 Ca 0.01 -0.99 0.02 0.00 0.02 0.00 0.00 54.13 53.19 2khs s LEU 25 Cb -0.16 -0.86 0.05 0.00 0.02 0.00 0.00 46.19 45.25 2khs s LEU 25 CO -0.06 -0.07 -0.12 -0.32 0.02 0.00 0.00 176.35 175.80 2khs s MET 26 N -3.44 2.30 -0.35 1.70 1.75 0.57 -0.43 119.30 121.40 2khs s MET 26 Ca 0.24 -1.21 -0.09 0.00 -1.25 0.00 0.00 55.69 53.38 2khs s MET 26 Cb -0.03 -2.79 0.03 0.00 2.84 0.00 0.00 34.83 34.88 2khs s MET 26 CO 0.10 -0.51 0.15 1.52 -0.65 0.00 0.00 175.02 175.63 2khs s TYR 27 N 1.17 3.24 -1.50 4.11 1.13 0.49 0.56 117.35 126.55 2khs s TYR 27 Ca -0.06 -1.17 -0.13 0.00 -1.41 0.00 0.00 57.07 54.30 2khs s TYR 27 Cb -0.19 -2.36 0.08 0.00 -1.10 0.00 0.00 41.96 38.39 2khs s TYR 27 CO -0.07 -0.68 0.90 1.63 -2.51 0.00 0.00 175.55 174.82 2khs n LYS 28 N 4.91 -5.26 -0.24 -3.49 5.02 -1.26 -1.09 118.16 116.75 2khs n LYS 28 Ca -0.12 0.61 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 2khs n LYS 28 Cb 0.45 -5.48 0.00 0.00 -0.02 0.00 0.00 35.03 29.98 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 -1.62 0.68 3.31 0.72 0.00 -1.26 -5.04 105.19 101.97 2khs n GLY 29 Ca 0.02 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.76 3.10 -0.58 1.61 1.11 -0.25 -5.03 119.66 118.86 2khs s GLN 30 Ca 0.00 -1.90 -0.26 0.00 0.01 0.00 0.00 55.36 53.21 2khs s GLN 30 Cb 0.00 -4.31 0.04 0.00 -1.01 0.00 0.00 33.01 27.73 2khs s GLN 30 CO 0.00 -1.31 1.07 -1.25 0.01 0.00 0.00 175.29 173.80 2khs s PRO 31 N 1.23 3.40 0.11 2.91 0.05 -1.26 -0.38 135.00 141.06 2khs s PRO 31 Ca 0.07 -0.06 0.06 0.00 0.05 0.00 0.00 61.00 61.12 2khs s PRO 31 Cb -0.25 -4.05 -0.04 0.00 0.05 0.00 0.00 34.50 30.22 2khs s PRO 31 CO -0.00 -1.61 -0.15 -1.64 0.05 0.00 0.00 177.00 173.65 2khs s MET 32 N 4.47 0.98 -0.26 4.56 -1.94 0.43 -4.97 119.30 122.57 2khs s MET 32 Ca 0.36 -1.17 -0.20 0.00 -1.71 0.00 0.00 55.69 52.97 2khs s MET 32 Cb -0.10 -0.93 -0.02 0.00 2.01 0.00 0.00 34.83 35.79 2khs s MET 32 CO 0.21 0.19 0.63 0.99 -0.01 0.00 0.00 175.02 177.03 2khs s THR 33 N -1.86 4.98 0.07 2.05 2.01 -1.26 -1.76 115.64 119.87 2khs s THR 33 Ca 0.06 1.11 0.01 0.00 0.31 0.00 0.00 61.69 63.18 2khs s THR 33 Cb -0.06 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 2khs s THR 33 CO 0.03 0.01 0.18 -0.36 -0.69 0.00 0.00 174.62 173.78 2khs s PHE 34 N 2.52 3.43 -0.09 4.92 0.40 0.19 -0.01 117.98 129.34 2khs s PHE 34 Ca 0.26 0.20 0.02 0.00 -0.60 0.00 0.00 56.93 56.81 2khs s PHE 34 Cb -0.15 -1.72 0.01 0.00 0.51 0.00 0.00 43.02 41.67 2khs s PHE 34 CO 0.09 0.57 -0.13 1.03 0.70 0.00 0.00 175.22 177.48 2khs s ARG 35 N -2.50 1.89 0.18 0.44 1.81 -1.14 -0.81 118.95 118.81 2khs s ARG 35 Ca 0.33 -0.45 -0.30 0.00 -1.72 0.00 0.00 55.73 53.59 2khs s ARG 35 Cb -0.13 -1.62 -0.09 0.00 -0.45 0.00 0.00 34.95 32.67 2khs s ARG 35 CO 0.26 -0.04 1.36 -0.51 -0.68 0.00 0.00 175.30 175.69 2khs s LEU 36 N 0.91 4.40 0.32 2.53 1.43 -0.43 -4.43 118.68 123.41 2khs s LEU 36 Ca -0.09 2.42 -0.29 0.00 -1.03 0.00 0.00 54.13 55.14 2khs s LEU 36 Cb -0.15 -3.60 -0.11 0.00 0.03 0.00 0.00 46.19 42.35 2khs s LEU 36 CO 0.00 -0.60 1.52 -0.76 0.23 0.00 0.00 176.35 176.75 2khs s LEU 37 N 0.24 4.34 -0.29 1.79 1.43 -1.19 -2.78 118.68 122.21 2khs s LEU 37 Ca 0.60 2.94 0.00 0.00 -1.03 0.00 0.00 54.13 56.64 2khs s LEU 37 Cb -0.38 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.20 2khs s LEU 37 CO 0.36 -0.86 0.00 0.18 0.23 0.00 0.00 176.35 176.27 2khs n LEU 38 N 1.54 -0.03 -4.41 1.79 4.77 -1.26 -4.89 117.00 114.50 2khs n LEU 38 Ca 0.05 0.07 -0.34 0.00 -0.03 0.00 0.00 56.01 55.76 2khs n LEU 38 Cb 0.39 -1.16 -0.13 0.00 -2.33 0.00 0.00 43.42 40.19 2khs n LEU 38 CO 0.63 -0.32 -0.38 -0.69 -1.33 0.00 0.00 177.39 175.31 2khs s VAL 39 N -1.93 3.60 -0.25 4.08 1.01 -1.12 -1.19 120.40 124.59 2khs s VAL 39 Ca 0.00 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.54 2khs s VAL 39 Cb 0.00 -2.59 0.07 0.00 0.00 0.00 0.00 36.38 33.86 2khs s VAL 39 CO 0.00 0.47 -0.04 -0.62 0.00 0.00 0.00 175.10 174.91 2khs s ASP 40 N 0.76 4.02 -0.14 3.32 2.15 0.59 -4.48 116.67 122.89 2khs s ASP 40 Ca -0.02 -1.33 -0.22 0.00 0.43 0.00 0.00 52.55 51.41 2khs s ASP 40 Cb -0.15 -1.24 -0.03 0.00 -0.30 0.00 0.00 42.92 41.21 2khs s ASP 40 CO 0.02 -0.26 0.65 0.42 -0.17 0.00 0.00 175.17 175.83 2khs s THR 41 N 1.33 5.04 -0.11 1.71 -4.23 -1.26 -1.40 115.64 116.72 2khs s THR 41 Ca -0.03 1.27 0.16 0.00 -1.18 0.00 0.00 61.69 61.91 2khs s THR 41 Cb -0.19 -3.97 0.09 0.00 1.34 0.00 0.00 72.50 69.77 2khs s THR 41 CO -0.08 0.18 1.51 1.55 -0.54 0.00 0.00 174.62 177.24 2khs h PRO 42 N 7.12 0.00 -5.38 3.99 0.13 -1.98 -3.45 132.00 132.43 2khs h PRO 42 Ca -0.36 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.36 2khs h PRO 42 Cb 1.16 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.09 2khs h PRO 42 CO 0.77 0.45 -0.77 -1.21 -0.23 0.00 0.00 178.00 177.01 2khs s GLU 43 N -3.09 0.90 0.15 0.86 2.02 -1.26 -5.07 118.70 113.22 2khs s GLU 43 Ca 0.03 -1.08 -0.07 0.00 0.02 0.00 0.00 54.97 53.88 2khs s GLU 43 Cb 0.08 -0.86 -0.01 0.00 0.10 0.00 0.00 34.13 33.44 2khs s GLU 43 CO 0.73 0.18 0.22 -0.08 0.02 0.00 0.00 175.26 176.33 2khs s THR 44 N -1.65 0.09 -1.13 3.63 -1.32 -1.26 -4.69 115.64 109.30 2khs s THR 44 Ca 0.03 -1.47 0.11 0.00 -1.21 0.00 0.00 61.69 59.15 2khs s THR 44 Cb -0.08 -1.81 0.13 0.00 -1.51 0.00 0.00 72.50 69.23 2khs s THR 44 CO 0.02 -0.39 1.34 2.29 -2.21 0.00 0.00 174.62 175.67 2khs n LYS 45 N -0.17 0.05 -1.65 7.08 -0.00 -1.26 -4.75 118.16 117.47 2khs n LYS 45 Ca -0.08 0.27 -0.43 0.00 -0.00 0.00 0.00 58.31 58.07 2khs n LYS 45 Cb 0.63 -1.50 -0.03 0.00 -0.00 0.00 0.00 35.03 34.13 2khs n LYS 45 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 2khs n HIS 46 N -1.43 2.38 -1.21 5.58 -0.00 -1.26 -4.95 115.22 114.32 2khs n HIS 46 Ca 0.04 -0.30 -0.33 0.00 0.46 0.00 0.00 57.72 57.59 2khs n HIS 46 Cb 0.12 -2.78 0.11 0.00 -0.12 0.00 0.00 29.99 27.32 2khs n HIS 46 CO 0.00 0.00 0.00 -2.14 0.46 0.00 0.00 176.34 174.66 2khs s PRO 47 N 4.86 1.84 0.00 1.57 0.02 -1.26 -3.55 135.00 138.48 2khs s PRO 47 Ca 0.92 1.64 0.00 0.00 0.02 0.00 0.00 61.00 63.58 2khs s PRO 47 Cb -0.43 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.27 2khs s PRO 47 CO 0.41 -2.03 0.00 1.63 -0.33 0.00 0.00 177.00 176.68 2khs n LYS 48 N -3.22 0.00 0.00 5.54 4.76 -1.26 -4.86 118.16 119.12 2khs n LYS 48 Ca 0.13 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.68 2khs n LYS 48 Cb 0.51 -2.31 0.12 0.00 -1.84 0.00 0.00 35.03 31.51 2khs n LYS 48 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2khs n LYS 49 N -2.19 0.48 -3.51 1.97 4.76 -1.23 -4.97 118.16 113.46 2khs n LYS 49 Ca 0.00 -0.35 -0.19 0.00 -2.87 0.00 0.00 58.31 54.90 2khs n LYS 49 Cb 0.00 -1.49 0.08 0.00 -1.84 0.00 0.00 35.03 31.78 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 1.44 -0.39 2.55 0.72 0.00 -1.26 -4.86 105.19 103.39 2khs n GLY 50 Ca 0.08 0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 2khs n GLY 50 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2khs n VAL 51 N -4.34 3.92 0.48 1.61 0.24 -1.26 -4.53 118.33 114.45 2khs n VAL 51 Ca -0.22 -2.94 0.11 0.00 -2.04 0.00 0.00 64.34 59.26 2khs n VAL 51 Cb 0.64 -2.58 0.04 0.00 -1.47 0.00 0.00 33.84 30.47 2khs n VAL 51 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2khs n GLU 52 N 4.80 0.35 -0.02 7.34 1.02 -1.26 -4.24 120.64 128.62 2khs n GLU 52 Ca 0.63 0.02 -0.01 0.00 -0.02 0.00 0.00 57.16 57.78 2khs n GLU 52 Cb 0.32 -1.64 -0.00 0.00 -0.02 0.00 0.00 31.44 30.09 2khs n GLU 52 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2khs h LYS 53 N 0.00 0.00 0.00 3.49 1.79 -2.00 -3.45 116.57 116.40 2khs h LYS 53 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2khs h LYS 53 Cb 0.78 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.43 2khs h LYS 53 CO 0.00 0.00 -0.76 0.66 -1.08 0.00 0.00 179.45 178.27 2khs n TYR 54 N -3.06 0.00 -0.02 -1.35 4.01 -1.26 -4.78 117.16 110.69 2khs n TYR 54 Ca -0.02 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.59 2khs n TYR 54 Cb 0.07 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.02 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 0.00 -0.89 1.11 2.72 0.00 -1.84 -0.80 103.07 103.37 2khs h GLY 55 Ca 0.00 0.61 0.01 0.00 0.00 0.00 0.00 47.33 47.95 2khs h GLY 55 CO 0.00 -0.20 0.59 -2.55 0.00 0.00 0.00 176.54 174.38 2khs h PRO 56 N -0.52 1.19 -0.18 4.80 0.11 -1.87 -1.51 132.00 134.02 2khs h PRO 56 Ca 0.06 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 2khs h PRO 56 Cb 0.65 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 2khs h PRO 56 CO -0.45 0.79 0.09 1.49 -0.21 0.00 0.00 178.00 179.71 2khs h GLU 57 N 1.23 0.26 -0.39 1.05 4.57 -1.77 -1.09 114.58 118.44 2khs h GLU 57 Ca 0.33 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.41 2khs h GLU 57 Cb -0.13 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.40 2khs h GLU 57 CO -0.07 0.30 0.02 0.00 -1.18 0.00 0.00 179.01 178.07 2khs h ALA 58 N 0.95 0.53 -0.28 2.92 0.00 -0.92 -1.55 119.26 120.92 2khs h ALA 58 Ca 0.06 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2khs h ALA 58 Cb 0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2khs h ALA 58 CO -0.01 0.29 0.06 0.66 0.00 0.00 0.00 179.25 180.25 2khs h SER 59 N 0.51 0.43 -0.15 0.00 4.64 -1.12 -1.98 113.55 115.88 2khs h SER 59 Ca 0.11 -0.24 -0.11 0.00 -0.47 0.00 0.00 61.79 61.08 2khs h SER 59 Cb 0.44 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 2khs h SER 59 CO 0.02 0.56 -0.26 0.00 -0.87 0.00 0.00 176.83 176.27 2khs h ALA 60 N 0.88 0.96 -0.24 5.18 0.00 -1.19 -2.10 119.26 122.76 2khs h ALA 60 Ca 0.09 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 2khs h ALA 60 Cb 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2khs h ALA 60 CO 0.00 0.60 0.13 0.35 0.00 0.00 0.00 179.25 180.34 2khs h PHE 61 N 0.54 0.33 -0.50 0.00 3.04 -1.16 -1.14 116.94 118.05 2khs h PHE 61 Ca 0.07 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.02 2khs h PHE 61 Cb 0.73 -0.11 -0.02 0.00 2.56 0.00 0.00 35.95 39.11 2khs h PHE 61 CO 0.03 0.28 0.31 1.15 -2.02 0.00 0.00 178.31 178.06 2khs h THR 62 N 0.28 1.14 -0.06 4.41 2.02 -1.15 -1.16 112.91 118.39 2khs h THR 62 Ca 0.08 -0.29 0.01 0.00 0.77 0.00 0.00 66.41 66.98 2khs h THR 62 Cb 0.06 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 2khs h THR 62 CO -0.01 0.14 0.00 0.11 0.37 0.00 0.00 175.52 176.13 2khs h LYS 63 N 0.67 0.03 -0.66 6.66 1.57 -1.13 -0.87 116.57 122.84 2khs h LYS 63 Ca 0.18 -0.00 0.08 0.00 -1.87 0.00 0.00 60.65 59.04 2khs h LYS 63 Cb -0.04 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.20 2khs h LYS 63 CO -0.04 0.02 0.33 0.87 -0.57 0.00 0.00 179.45 180.06 2khs h LYS 64 N 0.03 0.57 -0.26 3.15 1.57 -0.90 0.14 116.57 120.87 2khs h LYS 64 Ca 0.03 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.60 2khs h LYS 64 Cb 0.03 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 2khs h LYS 64 CO -0.04 0.37 -0.53 0.52 -0.57 0.00 0.00 179.45 179.21 2khs h MET 65 N 0.58 0.75 0.05 3.15 2.86 -0.88 -1.61 114.93 119.84 2khs h MET 65 Ca 0.31 -0.46 -0.24 0.00 -2.06 0.00 0.00 59.70 57.25 2khs h MET 65 Cb 0.29 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 2khs h MET 65 CO -0.24 1.09 -1.13 -0.39 1.06 0.00 0.00 176.91 177.30 2khs h VAL 66 N 0.58 1.58 0.00 -2.22 -1.51 -0.74 -2.91 116.25 111.03 2khs h VAL 66 Ca 0.02 -3.25 -0.13 0.00 -1.23 0.00 0.00 66.70 62.11 2khs h VAL 66 Cb 1.10 2.86 -0.02 0.00 -2.13 0.00 0.00 31.29 33.10 2khs h VAL 66 CO 0.11 0.92 -0.62 -0.33 -1.23 0.00 0.00 177.57 176.42 2khs h GLU 67 N 0.03 0.00 -0.08 5.19 5.08 -0.76 -2.96 114.58 121.08 2khs h GLU 67 Ca -0.07 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.20 2khs h GLU 67 Cb 1.86 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.09 2khs h GLU 67 CO 0.15 0.62 -0.34 -0.97 -1.00 0.00 0.00 179.01 177.47 2khs h ASN 68 N 0.00 0.15 -3.14 1.42 -0.73 -1.30 -3.44 115.58 108.54 2khs h ASN 68 Ca -0.01 -0.05 -0.53 0.00 1.87 0.00 0.00 56.30 57.59 2khs h ASN 68 Cb 1.28 -0.04 0.02 0.00 0.27 0.00 0.00 38.32 39.86 2khs h ASN 68 CO 0.08 0.48 0.68 0.00 -0.37 0.00 0.00 177.43 178.30 2khs s ALA 69 N -4.28 3.55 0.02 1.57 0.00 -1.10 -4.91 121.76 116.60 2khs s ALA 69 Ca -0.04 1.08 -0.17 0.00 0.00 0.00 0.00 51.96 52.83 2khs s ALA 69 Cb 0.14 -3.51 -0.32 0.00 0.00 0.00 0.00 23.12 19.44 2khs s ALA 69 CO 0.75 -0.57 1.02 0.87 0.00 0.00 0.00 175.76 177.83 2khs h LYS 70 N 6.37 0.51 -5.46 0.00 1.57 -1.86 -3.45 116.57 114.26 2khs h LYS 70 Ca -0.43 -0.77 -0.66 0.00 -1.87 0.00 0.00 60.65 56.92 2khs h LYS 70 Cb 1.21 0.27 -0.26 0.00 0.08 0.00 0.00 32.23 33.53 2khs h LYS 70 CO 0.83 1.36 -0.76 0.15 -0.57 0.00 0.00 179.45 180.45 2khs s LYS 71 N -2.74 3.27 -0.24 3.15 1.02 -1.26 -5.01 119.74 117.93 2khs s LYS 71 Ca -0.10 -0.68 -0.04 0.00 0.02 0.00 0.00 55.97 55.16 2khs s LYS 71 Cb 0.04 -2.60 0.00 0.00 -0.52 0.00 0.00 37.83 34.75 2khs s LYS 71 CO 0.91 0.27 -0.01 0.42 -0.92 0.00 0.00 175.35 176.02 2khs s ILE 72 N 0.19 3.46 -0.06 2.17 1.09 -1.26 -0.21 121.20 126.59 2khs s ILE 72 Ca -0.08 -0.62 0.03 0.00 -1.10 0.00 0.00 60.65 58.88 2khs s ILE 72 Cb -0.15 -2.66 -0.03 0.00 -1.06 0.00 0.00 42.46 38.56 2khs s ILE 72 CO 0.05 0.30 -0.12 -1.61 -0.10 0.00 0.00 174.94 173.46 2khs s GLU 73 N 1.46 2.59 -0.22 2.79 2.02 0.64 0.32 118.70 128.30 2khs s GLU 73 Ca 0.04 -0.64 -0.01 0.00 0.02 0.00 0.00 54.97 54.38 2khs s GLU 73 Cb -0.15 -2.46 0.02 0.00 0.10 0.00 0.00 34.13 31.64 2khs s GLU 73 CO -0.02 0.64 -0.11 0.14 0.02 0.00 0.00 175.26 175.93 2khs s VAL 74 N -0.76 2.67 -0.02 2.63 -7.23 0.98 -0.33 120.40 118.34 2khs s VAL 74 Ca 0.12 -0.91 0.02 0.00 -1.81 0.00 0.00 61.98 59.40 2khs s VAL 74 Cb -0.11 -2.26 -0.03 0.00 0.56 0.00 0.00 36.38 34.54 2khs s VAL 74 CO 0.01 0.35 -0.03 -0.70 -0.31 0.00 0.00 175.10 174.42 2khs s GLU 75 N 1.34 2.72 0.13 4.82 2.12 -0.26 -1.35 118.70 128.22 2khs s GLU 75 Ca 0.03 -0.62 -0.08 0.00 0.36 0.00 0.00 54.97 54.66 2khs s GLU 75 Cb -0.15 -2.61 -0.06 0.00 0.26 0.00 0.00 34.13 31.57 2khs s GLU 75 CO -0.07 0.63 0.42 0.12 -0.54 0.00 0.00 175.26 175.81 2khs s PHE 76 N -1.00 3.51 0.32 5.30 5.36 -1.03 -1.47 117.98 128.97 2khs s PHE 76 Ca 0.17 0.71 0.01 0.00 -0.96 0.00 0.00 56.93 56.86 2khs s PHE 76 Cb -0.11 -2.12 0.01 0.00 -0.34 0.00 0.00 43.02 40.46 2khs s PHE 76 CO 0.07 0.44 0.09 -3.47 -1.46 0.00 0.00 175.22 170.90 2khs n ASP 77 N 0.42 2.56 0.24 6.13 -0.08 -1.26 -4.24 116.55 120.31 2khs n ASP 77 Ca -0.04 -2.27 0.09 0.00 -1.51 0.00 0.00 54.79 51.06 2khs n ASP 77 Cb 0.52 0.13 0.60 0.00 2.34 0.00 0.00 41.12 44.70 2khs n ASP 77 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2khs h LYS 78 N 0.00 0.00 0.00 -0.67 1.57 -2.01 -3.41 116.57 112.05 2khs h LYS 78 Ca -0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 2khs h LYS 78 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2khs h LYS 78 CO 0.39 0.19 0.00 0.41 -0.57 0.00 0.00 179.45 179.86 2khs n GLY 79 N -0.66 -0.21 3.45 3.86 0.00 -1.26 -5.00 105.19 105.37 2khs n GLY 79 Ca -0.02 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 1.61 -0.01 1.61 -0.21 -1.26 -5.02 119.66 116.38 2khs s GLN 80 Ca 0.00 -1.82 0.16 0.00 0.02 0.00 0.00 55.36 53.72 2khs s GLN 80 Cb 0.00 -1.25 -0.20 0.00 1.00 0.00 0.00 33.01 32.55 2khs s GLN 80 CO 0.00 0.05 0.59 -2.13 -2.12 0.00 0.00 175.29 171.67 2khs n ARG 81 N -0.63 1.27 -4.30 2.91 0.63 -1.26 -4.66 116.66 110.62 2khs n ARG 81 Ca -0.05 -0.05 -0.20 0.00 -0.92 0.00 0.00 57.85 56.63 2khs n ARG 81 Cb 0.64 -1.31 -0.16 0.00 0.45 0.00 0.00 32.46 32.08 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 -2.74 0.69 0.19 5.15 -4.23 -1.26 -0.61 115.64 112.83 2khs s THR 82 Ca 0.02 -0.27 -0.17 0.00 -1.18 0.00 0.00 61.69 60.10 2khs s THR 82 Cb 0.12 -0.64 -0.08 0.00 1.34 0.00 0.00 72.50 73.24 2khs s THR 82 CO 0.68 0.24 0.64 -0.62 -0.54 0.00 0.00 174.62 175.02 2khs s ASP 83 N 0.48 6.94 0.39 3.99 -1.08 0.89 -4.86 116.67 123.43 2khs s ASP 83 Ca -0.07 1.25 0.28 0.00 -0.52 0.00 0.00 52.55 53.49 2khs s ASP 83 Cb -0.11 -2.36 1.22 0.00 -1.46 0.00 0.00 42.92 40.22 2khs s ASP 83 CO 0.01 0.06 1.84 0.50 0.52 0.00 0.00 175.17 178.09 2khs h LYS 84 N 3.45 0.00 -0.02 4.34 1.63 -2.01 -0.39 116.57 123.57 2khs h LYS 84 Ca -0.48 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.26 2khs h LYS 84 Cb 1.19 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.81 2khs h LYS 84 CO 0.65 0.00 -0.26 -0.92 -3.45 0.00 0.00 179.45 175.48 2khs h TYR 85 N 0.00 0.04 0.00 1.91 3.20 -2.04 -3.46 116.97 116.61 2khs h TYR 85 Ca 0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2khs h TYR 85 Cb 0.35 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.61 2khs h TYR 85 CO 0.00 0.29 0.00 0.41 -1.64 0.00 0.00 178.16 177.22 2khs n GLY 86 N -0.76 0.64 3.29 1.82 0.00 -0.16 -5.14 105.19 104.88 2khs n GLY 86 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 2khs n GLY 86 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2khs s ARG 87 N 0.71 1.01 0.32 1.61 1.04 -1.22 -4.76 118.95 117.66 2khs s ARG 87 Ca 0.00 -0.82 -0.25 0.00 -1.04 0.00 0.00 55.73 53.63 2khs s ARG 87 Cb 0.00 0.43 -0.10 0.00 -2.04 0.00 0.00 34.95 33.24 2khs s ARG 87 CO 0.00 -0.37 0.91 0.20 -0.04 0.00 0.00 175.30 176.00 2khs s GLY 88 N -2.83 2.74 -0.41 3.88 0.00 0.99 -0.07 107.32 111.61 2khs s GLY 88 Ca 0.04 0.46 0.02 0.00 0.00 0.00 0.00 44.72 45.24 2khs s GLY 88 CO -0.11 0.88 0.15 1.08 0.00 0.00 0.00 173.10 175.10 2khs s LEU 89 N -2.14 4.88 0.16 0.66 1.43 0.22 -2.90 118.68 120.99 2khs s LEU 89 Ca 0.50 -2.30 -0.19 0.00 -1.03 0.00 0.00 54.13 51.12 2khs s LEU 89 Cb -0.17 -1.70 0.04 0.00 0.03 0.00 0.00 46.19 44.39 2khs s LEU 89 CO 0.22 -0.41 0.51 0.00 0.23 0.00 0.00 176.35 176.91 2khs s ALA 90 N 0.73 -1.17 -0.13 4.21 0.00 -1.26 -4.23 121.76 119.90 2khs s ALA 90 Ca 0.11 0.08 -0.21 0.00 0.00 0.00 0.00 51.96 51.94 2khs s ALA 90 Cb -0.21 0.81 -0.03 0.00 0.00 0.00 0.00 23.12 23.69 2khs s ALA 90 CO -0.05 -0.75 0.62 0.71 0.00 0.00 0.00 175.76 176.29 2khs s TYR 91 N -3.81 3.48 -0.25 0.00 2.02 -0.54 -3.16 117.35 115.09 2khs s TYR 91 Ca 0.04 1.04 -0.11 0.00 -0.37 0.00 0.00 57.07 57.67 2khs s TYR 91 Cb -0.00 -2.74 -0.05 0.00 -0.40 0.00 0.00 41.96 38.77 2khs s TYR 91 CO -0.09 0.00 0.19 0.42 -1.57 0.00 0.00 175.55 174.50 2khs s ILE 92 N 1.20 5.33 -0.13 2.71 -1.09 -1.26 -1.10 121.20 126.86 2khs s ILE 92 Ca 0.31 0.22 -0.03 0.00 -2.23 0.00 0.00 60.65 58.92 2khs s ILE 92 Cb -0.16 -3.53 -0.03 0.00 -1.58 0.00 0.00 42.46 37.16 2khs s ILE 92 CO 0.13 0.31 -0.04 -0.31 -1.23 0.00 0.00 174.94 173.80 2khs s TYR 93 N 1.26 3.02 -0.48 3.97 1.51 0.55 -1.01 117.35 126.17 2khs s TYR 93 Ca 0.08 -0.21 -0.11 0.00 -1.01 0.00 0.00 57.07 55.83 2khs s TYR 93 Cb -0.14 -1.90 0.12 0.00 -0.11 0.00 0.00 41.96 39.93 2khs s TYR 93 CO 0.06 0.07 0.37 0.00 -1.11 0.00 0.00 175.55 174.94 2khs s ALA 94 N 0.05 3.44 -0.57 3.71 0.00 0.15 -0.26 121.76 128.28 2khs s ALA 94 Ca -0.00 -2.50 0.00 0.00 0.00 0.00 0.00 51.96 49.46 2khs s ALA 94 Cb -0.13 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 20.08 2khs s ALA 94 CO 0.03 -1.90 0.00 -0.40 0.00 0.00 0.00 175.76 173.48 2khs n ASP 95 N 4.98 -2.56 0.00 0.00 5.68 0.71 0.02 116.55 125.38 2khs n ASP 95 Ca -0.09 0.34 0.00 0.00 -0.50 0.00 0.00 54.79 54.53 2khs n ASP 95 Cb 0.41 -2.25 0.00 0.00 -1.14 0.00 0.00 41.12 38.14 2khs n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2khs n GLY 96 N -0.66 0.56 3.66 6.12 0.00 -1.26 -5.01 105.19 108.60 2khs n GLY 96 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.63 4.26 -0.75 1.61 1.02 0.10 -4.98 119.74 120.38 2khs s LYS 97 Ca 0.00 1.08 -0.26 0.00 0.02 0.00 0.00 55.97 56.80 2khs s LYS 97 Cb 0.00 -3.61 0.03 0.00 -0.52 0.00 0.00 37.83 33.74 2khs s LYS 97 CO 0.00 -0.45 1.26 1.41 -0.92 0.00 0.00 175.35 176.66 2khs s MET 98 N 2.56 3.20 0.20 1.68 -2.45 -1.26 0.34 119.30 123.58 2khs s MET 98 Ca 0.39 -0.34 -0.10 0.00 -1.25 0.00 0.00 55.69 54.39 2khs s MET 98 Cb -0.16 -4.24 0.19 0.00 1.25 0.00 0.00 34.83 31.86 2khs s MET 98 CO 0.10 -2.13 1.84 0.28 1.05 0.00 0.00 175.02 176.16 2khs h VAL 99 N 6.06 1.07 -0.08 10.11 2.07 -1.44 -0.63 116.25 133.41 2khs h VAL 99 Ca -0.26 -0.28 -0.07 0.00 0.82 0.00 0.00 66.70 66.92 2khs h VAL 99 Cb 1.05 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2khs h VAL 99 CO 1.28 0.15 -0.28 -0.55 0.02 0.00 0.00 177.57 178.18 2khs h ASN 100 N 0.80 0.15 0.10 0.57 -1.07 -1.90 -1.28 115.58 112.96 2khs h ASN 100 Ca 0.28 -0.04 -0.28 0.00 0.07 0.00 0.00 56.30 56.32 2khs h ASN 100 Cb 0.05 -0.04 0.03 0.00 -2.07 0.00 0.00 38.32 36.28 2khs h ASN 100 CO -0.12 0.44 -1.15 -0.08 0.07 0.00 0.00 177.43 176.59 2khs h GLU 101 N 0.14 0.60 -0.95 4.14 4.22 -1.74 -3.01 114.58 117.98 2khs h GLU 101 Ca 0.02 -0.78 0.05 0.00 0.08 0.00 0.00 59.36 58.73 2khs h GLU 101 Cb 0.58 0.25 -0.06 0.00 0.50 0.00 0.00 28.75 30.02 2khs h GLU 101 CO 0.04 1.35 0.62 0.00 -2.18 0.00 0.00 179.01 178.84 2khs h ALA 102 N 0.28 1.43 -0.43 2.92 0.00 -0.61 0.40 119.26 123.25 2khs h ALA 102 Ca -0.17 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2khs h ALA 102 Cb 1.84 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 2khs h ALA 102 CO 0.22 0.44 0.17 -0.07 0.00 0.00 0.00 179.25 180.02 2khs h LEU 103 N 1.14 0.59 -0.09 0.00 3.38 -1.28 -0.29 115.31 118.76 2khs h LEU 103 Ca 0.40 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 2khs h LEU 103 Cb 0.11 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 2khs h LEU 103 CO -0.14 0.60 -0.11 0.58 0.09 0.00 0.00 178.44 179.46 2khs h VAL 104 N 0.55 1.38 -0.77 1.22 2.07 -1.14 0.40 116.25 119.97 2khs h VAL 104 Ca 0.14 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.36 2khs h VAL 104 Cb 0.19 2.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.96 2khs h VAL 104 CO -0.01 0.37 0.48 -0.09 0.02 0.00 0.00 177.57 178.34 2khs h ARG 105 N -0.21 1.03 -0.01 1.57 2.43 -0.24 -1.00 114.38 117.94 2khs h ARG 105 Ca 0.01 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2khs h ARG 105 Cb 0.64 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2khs h ARG 105 CO 0.03 0.70 0.00 1.04 -1.51 0.00 0.00 179.97 180.23 2khs n GLN 106 N -4.40 1.16 -3.09 0.20 3.00 -0.12 -4.91 117.38 109.22 2khs n GLN 106 Ca 0.08 -0.23 -0.17 0.00 -0.01 0.00 0.00 57.00 56.68 2khs n GLN 106 Cb 0.05 -1.46 0.04 0.00 0.00 0.00 0.00 30.24 28.88 2khs n GLN 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2khs n GLY 107 N 1.00 -0.13 0.00 1.08 0.00 -0.38 -4.90 105.19 101.86 2khs n GLY 107 Ca 0.21 -0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.27 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 0.61 -3.69 0.99 4.77 0.14 -4.96 117.00 111.46 2khs n LEU 108 Ca -0.03 -0.32 -0.10 0.00 -0.03 0.00 0.00 56.01 55.53 2khs n LEU 108 Cb 0.56 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.60 2khs n LEU 108 CO 0.41 0.15 0.10 0.00 -1.33 0.00 0.00 177.39 176.73 2khs s ALA 109 N -3.13 -0.76 0.32 -1.18 0.00 -1.13 -4.80 121.76 111.07 2khs s ALA 109 Ca 0.02 -0.19 0.07 0.00 0.00 0.00 0.00 51.96 51.86 2khs s ALA 109 Cb 0.15 0.65 -0.03 0.00 0.00 0.00 0.00 23.12 23.89 2khs s ALA 109 CO 0.86 -0.62 0.29 0.15 0.00 0.00 0.00 175.76 176.44 2khs s LYS 110 N -3.82 2.80 0.06 0.00 1.02 -0.49 -4.25 119.74 115.06 2khs s LYS 110 Ca 0.04 -1.22 -0.31 0.00 0.02 0.00 0.00 55.97 54.50 2khs s LYS 110 Cb 0.02 -2.52 -0.06 0.00 -0.52 0.00 0.00 37.83 34.75 2khs s LYS 110 CO -0.11 0.15 1.33 0.08 -0.92 0.00 0.00 175.35 175.87 2khs s VAL 111 N -2.26 3.69 0.21 3.17 1.01 -1.25 -0.30 120.40 124.66 2khs s VAL 111 Ca 0.40 1.17 -0.15 0.00 0.00 0.00 0.00 61.98 63.40 2khs s VAL 111 Cb -0.06 -3.75 -0.08 0.00 0.00 0.00 0.00 36.38 32.49 2khs s VAL 111 CO 0.27 0.06 0.62 0.00 0.00 0.00 0.00 175.10 176.05 2khs s ALA 112 N 1.51 3.49 0.42 5.51 0.00 -0.34 -4.71 121.76 127.65 2khs s ALA 112 Ca 0.62 -0.05 -0.21 0.00 0.00 0.00 0.00 51.96 52.32 2khs s ALA 112 Cb -0.32 -2.62 -0.11 0.00 0.00 0.00 0.00 23.12 20.06 2khs s ALA 112 CO 0.28 0.41 0.94 0.71 0.00 0.00 0.00 175.76 178.11 2khs s TYR 113 N -1.61 3.35 -0.27 0.00 2.02 -1.26 -4.42 117.35 115.16 2khs s TYR 113 Ca 0.43 1.62 -0.22 0.00 -0.37 0.00 0.00 57.07 58.53 2khs s TYR 113 Cb -0.14 -2.85 -0.01 0.00 -0.40 0.00 0.00 41.96 38.56 2khs s TYR 113 CO 0.20 -0.07 0.73 0.08 -1.57 0.00 0.00 175.55 174.91 2khs s VAL 114 N -2.11 4.89 0.18 0.71 1.01 -1.26 -4.93 120.40 118.89 2khs s VAL 114 Ca 0.61 1.24 -0.30 0.00 0.00 0.00 0.00 61.98 63.53 2khs s VAL 114 Cb -0.10 -4.05 -0.08 0.00 0.00 0.00 0.00 36.38 32.16 2khs s VAL 114 CO 0.14 -0.09 0.94 -0.31 0.00 0.00 0.00 175.10 175.78 2khs s TYR 115 N 2.73 3.91 -0.11 5.22 2.02 -1.26 -5.00 117.35 124.85 2khs s TYR 115 Ca 0.30 1.85 -0.26 0.00 -0.37 0.00 0.00 57.07 58.60 2khs s TYR 115 Cb -0.15 -3.00 -0.02 0.00 -0.40 0.00 0.00 41.96 38.39 2khs s TYR 115 CO 0.09 0.36 0.83 0.15 -1.57 0.00 0.00 175.55 175.41 2khs s LYS 116 N -0.69 4.38 0.00 -0.62 3.01 -1.26 -5.05 119.74 119.51 2khs s LYS 116 Ca 0.43 1.06 0.00 0.00 -1.01 0.00 0.00 55.97 56.45 2khs s LYS 116 Cb -0.25 -3.52 0.00 0.00 -1.01 0.00 0.00 37.83 33.05 2khs s LYS 116 CO 0.31 -0.18 0.00 -0.35 0.51 0.00 0.00 175.35 175.64 2khs n PRO 117 N 4.63 1.19 -0.05 -1.68 -0.04 -1.26 -5.08 135.00 132.72 2khs n PRO 117 Ca 0.03 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.41 2khs n PRO 117 Cb 0.50 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.93 2khs n PRO 117 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2khs n ASN 118 N -1.13 1.48 -2.78 3.54 5.15 -1.26 -5.07 115.26 115.20 2khs n ASN 118 Ca 0.00 0.24 -0.05 0.00 -0.60 0.00 0.00 54.58 54.17 2khs n ASN 118 Cb 0.00 -0.55 0.01 0.00 -0.53 0.00 0.00 39.78 38.71 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 -3.98 -7.37 -4.55 1.20 4.13 -1.26 -4.86 115.26 98.56 2khs n ASN 119 Ca -0.15 0.32 -0.33 0.00 1.68 0.00 0.00 54.58 56.11 2khs n ASN 119 Cb 0.42 -4.98 -0.04 0.00 -1.54 0.00 0.00 39.78 33.64 2khs n ASN 119 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2khs s THR 120 N -2.63 3.38 0.00 3.41 2.01 -1.26 -5.25 115.64 115.30 2khs s THR 120 Ca 0.16 -0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.11 2khs s THR 120 Cb -0.04 -3.92 0.00 0.00 0.01 0.00 0.00 72.50 68.55 2khs s THR 120 CO 0.69 -0.88 0.00 1.57 -0.69 0.00 0.00 174.62 175.31