#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 4.16 -0.05 0.00 -4.23 -1.26 -4.54 115.64 109.72 2khs s THR 2 Ca 0.00 -1.68 0.17 0.00 -1.18 0.00 0.00 61.69 59.00 2khs s THR 2 Cb 0.00 -5.13 -0.26 0.00 1.34 0.00 0.00 72.50 68.45 2khs s THR 2 CO 0.00 -1.96 0.32 -1.54 -0.54 0.00 0.00 174.62 170.90 2khs n SER 3 N 8.25 0.99 -3.98 3.99 3.41 -1.26 -4.96 113.62 120.07 2khs n SER 3 Ca 0.43 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.87 2khs n SER 3 Cb 0.47 1.61 -0.15 0.00 -0.26 0.00 0.00 64.21 65.89 2khs n SER 3 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2khs s THR 4 N -3.04 0.53 0.00 6.66 2.01 -1.26 -5.12 115.64 115.41 2khs s THR 4 Ca -0.07 -0.28 0.00 0.00 0.31 0.00 0.00 61.69 61.66 2khs s THR 4 Cb 0.10 -0.45 0.00 0.00 0.01 0.00 0.00 72.50 72.16 2khs s THR 4 CO 0.72 0.15 0.00 0.29 -0.69 0.00 0.00 174.62 175.09 2khs n LYS 5 N 2.97 0.00 0.00 4.92 4.01 -1.26 -5.12 118.16 123.67 2khs n LYS 5 Ca -0.14 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.66 2khs n LYS 5 Cb 0.57 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.09 2khs n LYS 5 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 2khs n LYS 6 N 0.00 0.00 -3.12 1.97 3.00 -1.26 -5.14 118.16 113.61 2khs n LYS 6 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.92 2khs n LYS 6 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.97 2khs n LYS 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2khs s LEU 7 N 0.00 4.55 -0.59 3.14 1.43 -1.26 -4.97 118.68 120.98 2khs s LEU 7 Ca 0.00 1.45 -0.27 0.00 -1.03 0.00 0.00 54.13 54.28 2khs s LEU 7 Cb 0.00 -3.10 0.00 0.00 0.03 0.00 0.00 46.19 43.12 2khs s LEU 7 CO 0.00 0.23 1.55 -2.28 0.23 0.00 0.00 176.35 176.08 2khs s HIS 8 N -1.05 2.06 -0.14 0.29 2.46 -1.19 -4.86 115.29 112.86 2khs s HIS 8 Ca 0.33 0.49 -0.04 0.00 0.47 0.00 0.00 55.06 56.31 2khs s HIS 8 Cb -0.21 -4.32 -0.03 0.00 -0.13 0.00 0.00 32.58 27.88 2khs s HIS 8 CO 0.23 -2.16 -0.02 0.21 -2.47 0.00 0.00 174.74 170.52 2khs s LYS 9 N 6.02 3.57 0.03 2.88 2.47 -1.26 -0.11 119.74 133.34 2khs s LYS 9 Ca 0.56 -0.48 0.05 0.00 -1.56 0.00 0.00 55.97 54.54 2khs s LYS 9 Cb -0.12 -2.92 -0.02 0.00 -1.46 0.00 0.00 37.83 33.31 2khs s LYS 9 CO 0.23 0.33 -0.16 -1.21 0.16 0.00 0.00 175.35 174.70 2khs s GLU 10 N 0.12 1.09 0.19 4.03 0.41 0.42 -4.99 118.70 119.97 2khs s GLU 10 Ca 0.00 -0.78 -0.29 0.00 -0.41 0.00 0.00 54.97 53.49 2khs s GLU 10 Cb -0.13 -1.12 -0.08 0.00 -1.78 0.00 0.00 34.13 31.01 2khs s GLU 10 CO 0.02 0.28 0.90 -2.14 -0.49 0.00 0.00 175.26 173.84 2khs s PRO 11 N -1.05 4.75 -0.00 0.39 0.02 -1.26 -0.73 135.00 137.12 2khs s PRO 11 Ca 0.04 1.39 0.04 0.00 0.02 0.00 0.00 61.00 62.49 2khs s PRO 11 Cb -0.08 -3.30 -0.01 0.00 0.02 0.00 0.00 34.50 31.13 2khs s PRO 11 CO 0.01 0.45 -0.13 0.00 -0.33 0.00 0.00 177.00 177.00 2khs s ALA 12 N -0.84 1.06 -0.14 -1.55 0.00 0.97 -3.34 121.76 117.91 2khs s ALA 12 Ca 0.41 -0.59 -0.20 0.00 0.00 0.00 0.00 51.96 51.59 2khs s ALA 12 Cb -0.25 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 2khs s ALA 12 CO 0.30 0.25 0.56 0.99 0.00 0.00 0.00 175.76 177.86 2khs s THR 13 N -0.39 5.11 0.01 0.00 2.01 0.18 -3.71 115.64 118.85 2khs s THR 13 Ca 0.04 1.10 -0.30 0.00 0.31 0.00 0.00 61.69 62.84 2khs s THR 13 Cb -0.05 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 2khs s THR 13 CO -0.00 0.23 1.04 -0.22 -0.69 0.00 0.00 174.62 174.98 2khs s LEU 14 N 1.17 4.36 -0.18 4.42 2.96 -1.26 -0.06 118.68 130.09 2khs s LEU 14 Ca 0.28 1.75 -0.14 0.00 -0.22 0.00 0.00 54.13 55.79 2khs s LEU 14 Cb -0.16 -3.57 -0.08 0.00 0.50 0.00 0.00 46.19 42.88 2khs s LEU 14 CO 0.12 -0.33 -0.17 -0.38 -1.32 0.00 0.00 176.35 174.27 2khs n ILE 15 N 3.95 1.47 -3.63 6.68 5.41 -0.35 -4.92 119.36 127.97 2khs n ILE 15 Ca 0.07 0.08 -0.05 0.00 1.00 0.00 0.00 62.75 63.85 2khs n ILE 15 Cb 0.50 -2.26 -0.06 0.00 -0.71 0.00 0.00 39.64 37.11 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 -2.47 0.23 -0.38 0.38 2.47 -1.10 -5.02 119.74 113.85 2khs s LYS 16 Ca -0.24 0.15 -0.18 0.00 -1.56 0.00 0.00 55.97 54.14 2khs s LYS 16 Cb 0.05 0.11 0.01 0.00 -1.46 0.00 0.00 37.83 36.53 2khs s LYS 16 CO 0.38 -0.05 0.49 0.00 0.16 0.00 0.00 175.35 176.33 2khs s ALA 17 N -0.50 3.44 -0.07 3.13 0.00 -1.26 -0.10 121.76 126.40 2khs s ALA 17 Ca 0.05 -1.22 -0.02 0.00 0.00 0.00 0.00 51.96 50.78 2khs s ALA 17 Cb -0.03 -3.05 -0.01 0.00 0.00 0.00 0.00 23.12 20.04 2khs s ALA 17 CO -0.08 -1.40 -0.03 0.82 0.00 0.00 0.00 175.76 175.06 2khs h ILE 18 N 5.68 0.00 -3.41 0.00 5.03 -1.57 -3.45 117.51 119.80 2khs h ILE 18 Ca -0.27 -0.67 0.00 0.00 -0.12 0.00 0.00 64.86 63.80 2khs h ILE 18 Cb 1.12 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.91 2khs h ILE 18 CO 0.79 0.00 0.00 -0.67 -0.68 0.00 0.00 178.15 177.59 2khs n ASP 19 N -3.85 1.45 0.05 1.72 -0.08 0.16 -4.83 116.55 111.17 2khs n ASP 19 Ca -0.01 -0.41 -0.06 0.00 -1.51 0.00 0.00 54.79 52.80 2khs n ASP 19 Cb 0.05 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.40 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 0.00 0.00 0.27 0.00 -1.81 -3.36 103.07 98.17 2khs h GLY 20 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.04 2khs h GLY 20 CO 0.00 0.00 -2.07 2.09 0.00 0.00 0.00 176.54 176.56 2khs n ASP 21 N -3.29 1.21 -4.52 0.19 5.68 -1.26 -4.83 116.55 109.73 2khs n ASP 21 Ca -0.03 -0.00 -0.40 0.00 -0.50 0.00 0.00 54.79 53.86 2khs n ASP 21 Cb 0.94 0.83 -0.11 0.00 -1.14 0.00 0.00 41.12 41.64 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 -2.38 5.17 0.01 2.12 2.01 -1.26 -2.78 115.64 118.54 2khs s THR 22 Ca -0.09 -0.19 0.04 0.00 0.31 0.00 0.00 61.69 61.76 2khs s THR 22 Cb 0.05 -3.62 -0.01 0.00 0.01 0.00 0.00 72.50 68.92 2khs s THR 22 CO 0.63 0.04 -0.11 0.54 -0.69 0.00 0.00 174.62 175.03 2khs s VAL 23 N 1.71 0.87 -0.27 3.82 0.11 0.15 -0.66 120.40 126.12 2khs s VAL 23 Ca 0.06 -0.64 -0.09 0.00 -2.93 0.00 0.00 61.98 58.38 2khs s VAL 23 Cb -0.17 -0.76 -0.03 0.00 -1.53 0.00 0.00 36.38 33.89 2khs s VAL 23 CO 0.10 0.12 0.12 -0.75 -3.33 0.00 0.00 175.10 171.36 2khs s LYS 24 N -0.59 3.64 0.27 1.54 2.20 0.86 0.30 119.74 127.96 2khs s LYS 24 Ca 0.02 -0.50 0.12 0.00 -0.36 0.00 0.00 55.97 55.24 2khs s LYS 24 Cb -0.05 -3.46 -0.05 0.00 -1.51 0.00 0.00 37.83 32.76 2khs s LYS 24 CO 0.00 -0.24 -0.18 -0.51 -0.36 0.00 0.00 175.35 174.06 2khs s LEU 25 N 1.65 2.65 -0.32 5.43 2.01 -0.23 -1.21 118.68 128.66 2khs s LEU 25 Ca 0.06 -0.96 0.03 0.00 0.01 0.00 0.00 54.13 53.27 2khs s LEU 25 Cb -0.16 -1.19 0.09 0.00 0.01 0.00 0.00 46.19 44.94 2khs s LEU 25 CO 0.06 0.04 0.02 -0.32 1.01 0.00 0.00 176.35 177.17 2khs s MET 26 N -3.43 1.52 -0.28 1.70 -2.45 0.92 0.08 119.30 117.35 2khs s MET 26 Ca 0.29 -1.65 -0.08 0.00 -1.25 0.00 0.00 55.69 52.99 2khs s MET 26 Cb -0.06 -2.99 -0.02 0.00 1.25 0.00 0.00 34.83 33.02 2khs s MET 26 CO 0.15 -0.87 0.11 1.52 1.05 0.00 0.00 175.02 176.98 2khs s TYR 27 N 1.04 3.14 -1.60 4.11 1.13 0.43 0.49 117.35 126.09 2khs s TYR 27 Ca 0.07 -0.52 -0.01 0.00 -1.41 0.00 0.00 57.07 55.21 2khs s TYR 27 Cb -0.19 -2.30 0.00 0.00 -1.10 0.00 0.00 41.96 38.38 2khs s TYR 27 CO -0.09 -0.41 0.07 1.63 -2.51 0.00 0.00 175.55 174.23 2khs n LYS 28 N 4.95 -1.87 -0.22 -3.49 5.02 -1.21 -1.37 118.16 119.97 2khs n LYS 28 Ca -0.15 0.91 0.00 0.00 -2.02 0.00 0.00 58.31 57.05 2khs n LYS 28 Cb 0.50 -5.48 0.00 0.00 -0.02 0.00 0.00 35.03 30.03 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 -1.07 0.71 3.41 0.72 0.00 -1.26 -5.04 105.19 102.66 2khs n GLY 29 Ca -0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.70 3.06 -0.32 1.61 0.74 -0.47 -5.05 119.66 118.52 2khs s GLN 30 Ca 0.00 -0.92 -0.29 0.00 0.05 0.00 0.00 55.36 54.20 2khs s GLN 30 Cb 0.00 -3.69 0.02 0.00 1.10 0.00 0.00 33.01 30.43 2khs s GLN 30 CO 0.00 -0.58 1.10 -1.25 -0.55 0.00 0.00 175.29 174.00 2khs s PRO 31 N 1.59 4.04 0.00 1.67 0.04 -1.26 -0.42 135.00 140.66 2khs s PRO 31 Ca 0.03 1.07 0.01 0.00 0.04 0.00 0.00 61.00 62.16 2khs s PRO 31 Cb -0.18 -3.75 -0.01 0.00 0.04 0.00 0.00 34.50 30.60 2khs s PRO 31 CO 0.07 -0.94 -0.05 1.41 0.04 0.00 0.00 177.00 177.53 2khs s MET 32 N 3.72 0.39 -0.18 4.56 1.75 0.11 -4.97 119.30 124.68 2khs s MET 32 Ca 0.46 -0.24 -0.27 0.00 -1.25 0.00 0.00 55.69 54.40 2khs s MET 32 Cb -0.12 -0.35 -0.01 0.00 2.84 0.00 0.00 34.83 37.19 2khs s MET 32 CO 0.17 0.09 0.91 0.99 -0.65 0.00 0.00 175.02 176.52 2khs s THR 33 N -0.26 4.81 0.28 10.11 2.01 -1.26 -1.07 115.64 130.26 2khs s THR 33 Ca 0.00 1.78 0.09 0.00 0.31 0.00 0.00 61.69 63.87 2khs s THR 33 Cb -0.03 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 2khs s THR 33 CO -0.00 -0.04 0.03 -0.36 -0.69 0.00 0.00 174.62 173.57 2khs s PHE 34 N 2.47 2.73 0.10 4.92 0.08 0.15 -2.74 117.98 125.69 2khs s PHE 34 Ca 0.41 -0.24 0.10 0.00 0.12 0.00 0.00 56.93 57.32 2khs s PHE 34 Cb -0.16 -1.28 -0.04 0.00 -0.57 0.00 0.00 43.02 40.97 2khs s PHE 34 CO 0.11 0.57 -0.26 1.03 -0.10 0.00 0.00 175.22 176.57 2khs s ARG 35 N -3.71 1.56 0.16 0.44 0.52 0.15 -0.68 118.95 117.39 2khs s ARG 35 Ca 0.32 -1.26 -0.30 0.00 -0.52 0.00 0.00 55.73 53.98 2khs s ARG 35 Cb -0.06 -1.95 -0.07 0.00 0.52 0.00 0.00 34.95 33.39 2khs s ARG 35 CO 0.21 0.47 1.04 -0.51 0.02 0.00 0.00 175.30 176.53 2khs s LEU 36 N -1.83 4.51 0.60 2.53 1.02 -1.12 -1.48 118.68 122.91 2khs s LEU 36 Ca 0.14 1.98 -0.17 0.00 0.02 0.00 0.00 54.13 56.10 2khs s LEU 36 Cb -0.10 -3.60 -0.03 0.00 0.02 0.00 0.00 46.19 42.48 2khs s LEU 36 CO 0.05 -0.13 1.11 -0.76 0.02 0.00 0.00 176.35 176.65 2khs s LEU 37 N -0.36 3.57 -1.29 1.79 1.43 0.20 -3.61 118.68 120.41 2khs s LEU 37 Ca 0.48 2.05 0.00 0.00 -1.03 0.00 0.00 54.13 55.63 2khs s LEU 37 Cb -0.27 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.39 2khs s LEU 37 CO 0.33 -1.39 0.00 0.18 0.23 0.00 0.00 176.35 175.70 2khs n LEU 38 N -1.87 -0.88 -4.42 1.79 4.77 -1.25 -4.73 117.00 110.42 2khs n LEU 38 Ca 0.11 0.30 -0.34 0.00 -0.03 0.00 0.00 56.01 56.04 2khs n LEU 38 Cb 0.52 -1.89 -0.13 0.00 -2.33 0.00 0.00 43.42 39.58 2khs n LEU 38 CO 0.45 -0.64 -0.36 -0.69 -1.33 0.00 0.00 177.39 174.82 2khs s VAL 39 N -2.44 3.70 -0.44 4.08 1.01 -1.24 -1.97 120.40 123.10 2khs s VAL 39 Ca 0.00 -0.40 -0.16 0.00 0.00 0.00 0.00 61.98 61.41 2khs s VAL 39 Cb 0.00 -2.66 0.04 0.00 0.00 0.00 0.00 36.38 33.76 2khs s VAL 39 CO 0.00 0.45 0.41 -0.62 0.00 0.00 0.00 175.10 175.34 2khs s ASP 40 N 0.92 6.16 0.17 3.32 2.15 0.13 -4.54 116.67 124.98 2khs s ASP 40 Ca 0.00 -0.96 -0.26 0.00 0.43 0.00 0.00 52.55 51.76 2khs s ASP 40 Cb -0.15 -2.20 -0.08 0.00 -0.30 0.00 0.00 42.92 40.19 2khs s ASP 40 CO 0.01 -0.60 0.81 0.28 -0.17 0.00 0.00 175.17 175.50 2khs s THR 41 N 1.92 4.35 -1.08 1.71 -1.32 -1.26 -2.67 115.64 117.28 2khs s THR 41 Ca 0.08 1.77 0.17 0.00 -1.21 0.00 0.00 61.69 62.50 2khs s THR 41 Cb -0.20 -4.17 0.17 0.00 -1.51 0.00 0.00 72.50 66.79 2khs s THR 41 CO 0.10 0.50 1.53 -0.81 -2.21 0.00 0.00 174.62 173.74 2khs n PRO 42 N 1.69 0.05 -4.62 7.08 -0.04 -1.26 -4.66 135.00 133.23 2khs n PRO 42 Ca -0.05 0.19 -0.28 0.00 -0.04 0.00 0.00 63.50 63.33 2khs n PRO 42 Cb 0.48 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.28 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 -2.92 2.24 0.00 0.54 -6.30 -1.26 -4.79 118.70 106.21 2khs s GLU 43 Ca 0.10 -0.58 0.00 0.00 -2.50 0.00 0.00 54.97 51.98 2khs s GLU 43 Cb 0.11 -1.85 0.00 0.00 0.00 0.00 0.00 34.13 32.40 2khs s GLU 43 CO 0.30 0.00 0.00 -2.37 0.02 0.00 0.00 175.26 173.21 2khs n THR 44 N 3.99 0.00 0.38 -1.70 5.66 -1.26 -4.92 114.28 116.43 2khs n THR 44 Ca -0.20 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 60.94 2khs n THR 44 Cb 0.52 0.00 0.52 0.00 -1.55 0.00 0.00 70.33 69.82 2khs n THR 44 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 2khs h LYS 45 N 0.00 0.00 -5.10 1.09 1.57 -1.95 -3.48 116.57 108.71 2khs h LYS 45 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2khs h LYS 45 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2khs h LYS 45 CO 0.00 0.00 -0.50 0.72 -0.57 0.00 0.00 179.45 179.10 2khs n HIS 46 N -2.53 -3.28 -1.97 -1.35 8.25 -1.26 -5.03 115.22 108.06 2khs n HIS 46 Ca 0.02 1.33 -0.33 0.00 -0.26 0.00 0.00 57.72 58.48 2khs n HIS 46 Cb 0.29 -3.90 0.02 0.00 1.12 0.00 0.00 29.99 27.52 2khs n HIS 46 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 2khs s PRO 47 N -2.40 3.11 0.15 -0.41 0.02 -1.26 -4.95 135.00 129.27 2khs s PRO 47 Ca 0.21 1.34 -0.18 0.00 0.02 0.00 0.00 61.00 62.40 2khs s PRO 47 Cb -0.06 -2.00 0.06 0.00 0.02 0.00 0.00 34.50 32.52 2khs s PRO 47 CO 0.71 -0.99 1.69 0.87 -0.33 0.00 0.00 177.00 178.95 2khs h LYS 48 N 0.40 0.05 -0.71 5.54 1.57 -2.06 -0.19 116.57 121.18 2khs h LYS 48 Ca -0.47 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2khs h LYS 48 Cb 1.24 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.54 2khs h LYS 48 CO 0.56 0.03 0.00 1.63 -0.57 0.00 0.00 179.45 181.10 2khs n LYS 49 N -5.22 3.10 0.00 3.15 4.76 -1.26 -5.06 118.16 117.63 2khs n LYS 49 Ca 0.01 -2.75 0.00 0.00 -2.87 0.00 0.00 58.31 52.69 2khs n LYS 49 Cb 0.18 -1.69 0.00 0.00 -1.84 0.00 0.00 35.03 31.68 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 1.47 -1.63 3.34 0.72 0.00 -0.08 -4.33 105.19 104.68 2khs n GLY 50 Ca 0.25 -1.31 -0.46 0.00 0.00 0.00 0.00 46.02 44.50 2khs n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2khs s VAL 51 N 0.00 5.70 0.38 1.61 1.01 -1.26 -4.72 120.40 123.12 2khs s VAL 51 Ca 0.00 -2.76 0.23 0.00 0.00 0.00 0.00 61.98 59.45 2khs s VAL 51 Cb 0.00 -4.54 0.24 0.00 0.00 0.00 0.00 36.38 32.08 2khs s VAL 51 CO 0.00 -1.11 2.00 -0.08 0.00 0.00 0.00 175.10 175.90 2khs h GLU 52 N 7.43 0.00 0.00 2.72 4.81 -2.00 0.13 114.58 127.68 2khs h GLU 52 Ca 0.14 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2khs h GLU 52 Cb 0.98 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.36 2khs h GLU 52 CO 0.86 0.18 -0.03 0.36 -0.73 0.00 0.00 179.01 179.65 2khs n LYS 53 N -3.76 0.25 -0.03 1.92 0.00 -1.26 -4.18 118.16 111.09 2khs n LYS 53 Ca -0.02 0.20 -0.07 0.00 -0.00 0.00 0.00 58.31 58.42 2khs n LYS 53 Cb 0.29 -1.79 -0.03 0.00 -0.00 0.00 0.00 35.03 33.50 2khs n LYS 53 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2khs n TYR 54 N -2.22 0.00 0.51 5.58 4.01 -0.72 -4.66 117.16 119.66 2khs n TYR 54 Ca 0.06 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.59 2khs n TYR 54 Cb 0.43 -0.25 -0.10 0.00 -0.31 0.00 0.00 39.34 39.11 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 -0.15 -1.34 0.88 2.72 0.00 -0.98 0.12 103.07 104.33 2khs h GLY 55 Ca -0.17 0.50 0.12 0.00 0.00 0.00 0.00 47.33 47.77 2khs h GLY 55 CO -0.10 -0.49 0.45 -2.55 0.00 0.00 0.00 176.54 173.86 2khs h PRO 56 N -1.29 0.41 -0.05 4.80 0.11 -1.77 0.11 132.00 134.33 2khs h PRO 56 Ca -0.13 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.92 2khs h PRO 56 Cb 0.98 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.00 2khs h PRO 56 CO 0.22 0.27 -0.09 0.93 -0.21 0.00 0.00 178.00 179.12 2khs h GLU 57 N 0.43 0.14 -0.68 1.05 4.39 -1.77 -2.57 114.58 115.57 2khs h GLU 57 Ca 0.32 -0.09 -0.08 0.00 0.34 0.00 0.00 59.36 59.85 2khs h GLU 57 Cb 0.67 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.30 2khs h GLU 57 CO -0.10 0.66 0.12 0.00 -1.16 0.00 0.00 179.01 178.54 2khs h ALA 58 N 0.48 0.90 -0.41 3.43 0.00 -0.43 -1.74 119.26 121.49 2khs h ALA 58 Ca 0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 2khs h ALA 58 Cb 0.66 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2khs h ALA 58 CO 0.02 0.66 0.06 0.66 0.00 0.00 0.00 179.25 180.65 2khs h SER 59 N 1.04 0.66 -0.47 0.00 4.64 -0.86 0.20 113.55 118.76 2khs h SER 59 Ca 0.21 -0.26 -0.06 0.00 -0.47 0.00 0.00 61.79 61.20 2khs h SER 59 Cb 0.43 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 2khs h SER 59 CO 0.01 0.76 0.09 0.00 -0.87 0.00 0.00 176.83 176.82 2khs h ALA 60 N 0.93 1.16 -0.12 5.18 0.00 -1.31 -0.81 119.26 124.29 2khs h ALA 60 Ca 0.12 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2khs h ALA 60 Cb 0.38 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2khs h ALA 60 CO 0.01 0.56 -0.05 0.35 0.00 0.00 0.00 179.25 180.12 2khs h PHE 61 N 0.79 0.28 -0.85 0.00 3.57 -1.06 -2.97 116.94 116.71 2khs h PHE 61 Ca 0.17 -0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.63 2khs h PHE 61 Cb 0.35 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.97 2khs h PHE 61 CO 0.02 0.57 0.55 1.15 -2.23 0.00 0.00 178.31 178.37 2khs h THR 62 N -0.08 1.15 0.05 4.41 2.02 -0.69 -1.21 112.91 118.56 2khs h THR 62 Ca 0.03 -0.37 0.03 0.00 0.77 0.00 0.00 66.41 66.87 2khs h THR 62 Cb 0.49 -0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 66.83 2khs h THR 62 CO 0.02 0.20 -0.28 0.11 0.37 0.00 0.00 175.52 175.93 2khs h LYS 63 N 1.08 -0.44 -0.12 6.66 1.57 -1.09 -0.12 116.57 124.11 2khs h LYS 63 Ca 0.34 0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 59.07 2khs h LYS 63 Cb -0.01 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2khs h LYS 63 CO -0.11 -0.30 -0.26 0.87 -0.57 0.00 0.00 179.45 179.09 2khs h LYS 64 N -0.46 0.22 0.07 3.15 1.57 -1.33 0.18 116.57 119.97 2khs h LYS 64 Ca 0.05 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2khs h LYS 64 Cb 0.52 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2khs h LYS 64 CO -0.21 0.47 -0.03 1.98 -0.57 0.00 0.00 179.45 181.09 2khs h MET 65 N 0.20 -0.09 0.00 3.15 4.05 -0.69 -2.80 114.93 118.74 2khs h MET 65 Ca 0.03 0.01 -0.18 0.00 -0.28 0.00 0.00 59.70 59.28 2khs h MET 65 Cb 0.57 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.36 2khs h MET 65 CO 0.04 0.25 -1.02 -0.39 0.23 0.00 0.00 176.91 176.02 2khs h VAL 66 N -0.45 1.07 0.00 -5.77 -1.51 -0.77 -3.24 116.25 105.58 2khs h VAL 66 Ca -0.01 -2.64 -0.01 0.00 -1.23 0.00 0.00 66.70 62.81 2khs h VAL 66 Cb 0.39 2.48 -0.00 0.00 -2.13 0.00 0.00 31.29 32.03 2khs h VAL 66 CO 0.02 0.61 -0.17 -0.33 -1.23 0.00 0.00 177.57 176.46 2khs h GLU 67 N 0.00 0.00 0.00 5.19 5.08 -0.76 -3.19 114.58 120.91 2khs h GLU 67 Ca -0.08 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 2khs h GLU 67 Cb 1.64 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.89 2khs h GLU 67 CO 0.08 0.03 -0.57 -0.97 -1.00 0.00 0.00 179.01 176.58 2khs h ASN 68 N 0.00 0.00 -4.36 1.42 -1.24 -1.57 -3.46 115.58 106.37 2khs h ASN 68 Ca -0.00 0.00 -0.51 0.00 0.71 0.00 0.00 56.30 56.50 2khs h ASN 68 Cb 1.02 0.00 0.08 0.00 0.73 0.00 0.00 38.32 40.15 2khs h ASN 68 CO 0.00 0.06 0.40 0.00 -1.29 0.00 0.00 177.43 176.60 2khs s ALA 69 N -3.25 2.90 -0.13 1.57 0.00 -1.21 -5.02 121.76 116.63 2khs s ALA 69 Ca 0.03 -0.05 -0.09 0.00 0.00 0.00 0.00 51.96 51.86 2khs s ALA 69 Cb 0.07 -3.11 -0.06 0.00 0.00 0.00 0.00 23.12 20.02 2khs s ALA 69 CO 0.74 -0.95 0.04 0.87 0.00 0.00 0.00 175.76 176.45 2khs h LYS 70 N -0.52 0.00 -6.02 0.00 6.56 -1.89 -3.47 116.57 111.23 2khs h LYS 70 Ca -0.44 0.00 -0.66 0.00 -1.06 0.00 0.00 60.65 58.49 2khs h LYS 70 Cb 1.20 0.00 -0.11 0.00 -0.57 0.00 0.00 32.23 32.75 2khs h LYS 70 CO 0.60 0.20 -0.60 0.15 -2.06 0.00 0.00 179.45 177.75 2khs s LYS 71 N -1.95 3.00 -0.19 3.15 1.02 -1.26 -4.97 119.74 118.53 2khs s LYS 71 Ca -0.10 -0.49 -0.01 0.00 0.02 0.00 0.00 55.97 55.39 2khs s LYS 71 Cb 0.01 -2.81 0.01 0.00 -0.52 0.00 0.00 37.83 34.51 2khs s LYS 71 CO 0.21 0.66 -0.14 0.42 -0.92 0.00 0.00 175.35 175.58 2khs s ILE 72 N -1.11 2.57 -0.11 2.17 1.09 -1.24 -0.19 121.20 124.38 2khs s ILE 72 Ca 0.20 -0.77 0.00 0.00 -1.10 0.00 0.00 60.65 58.99 2khs s ILE 72 Cb -0.12 -2.12 -0.02 0.00 -1.06 0.00 0.00 42.46 39.14 2khs s ILE 72 CO 0.11 0.50 -0.11 -1.61 -0.10 0.00 0.00 174.94 173.72 2khs s GLU 73 N 1.32 3.17 -0.20 2.79 2.02 0.36 -0.02 118.70 128.14 2khs s GLU 73 Ca 0.05 -0.64 -0.04 0.00 0.02 0.00 0.00 54.97 54.35 2khs s GLU 73 Cb -0.14 -2.62 -0.01 0.00 0.10 0.00 0.00 34.13 31.46 2khs s GLU 73 CO -0.09 0.36 -0.04 0.14 0.02 0.00 0.00 175.26 175.66 2khs s VAL 74 N -0.02 3.56 -0.02 2.63 -7.23 0.10 -0.64 120.40 118.78 2khs s VAL 74 Ca -0.02 -0.44 0.07 0.00 -1.81 0.00 0.00 61.98 59.77 2khs s VAL 74 Cb -0.14 -2.60 -0.02 0.00 0.56 0.00 0.00 36.38 34.18 2khs s VAL 74 CO 0.04 0.43 -0.23 -0.70 -0.31 0.00 0.00 175.10 174.34 2khs s GLU 75 N 1.19 2.20 -0.21 4.82 2.12 0.11 -0.43 118.70 128.49 2khs s GLU 75 Ca 0.02 -0.88 -0.07 0.00 0.36 0.00 0.00 54.97 54.41 2khs s GLU 75 Cb -0.14 -2.13 -0.04 0.00 0.26 0.00 0.00 34.13 32.07 2khs s GLU 75 CO -0.00 0.57 0.06 0.12 -0.54 0.00 0.00 175.26 175.47 2khs s PHE 76 N -0.66 3.17 0.31 5.30 5.36 0.85 -0.33 117.98 131.98 2khs s PHE 76 Ca 0.11 -0.11 -0.03 0.00 -0.96 0.00 0.00 56.93 55.93 2khs s PHE 76 Cb -0.10 -2.13 0.07 0.00 -0.34 0.00 0.00 43.02 40.51 2khs s PHE 76 CO -0.00 -0.04 0.42 -3.47 -1.46 0.00 0.00 175.22 170.67 2khs n ASP 77 N 4.05 0.24 0.06 6.13 -0.08 -1.26 -3.15 116.55 122.54 2khs n ASP 77 Ca -0.16 -1.28 0.10 0.00 -1.51 0.00 0.00 54.79 51.94 2khs n ASP 77 Cb 0.52 -0.30 0.42 0.00 2.34 0.00 0.00 41.12 44.10 2khs n ASP 77 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2khs n LYS 78 N -1.84 0.10 0.00 -0.67 5.02 -1.26 -4.62 118.16 114.88 2khs n LYS 78 Ca 0.06 0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 2khs n LYS 78 Cb 0.21 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 2khs n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2khs n GLY 79 N 0.25 1.04 3.33 0.72 0.00 -1.26 -4.87 105.19 104.40 2khs n GLY 79 Ca 0.03 -0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 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 1.26 -0.01 1.61 -0.21 -1.26 -4.77 119.66 116.27 2khs s GLN 80 Ca 0.00 -1.34 0.14 0.00 0.02 0.00 0.00 55.36 54.18 2khs s GLN 80 Cb 0.00 -1.42 -0.19 0.00 1.00 0.00 0.00 33.01 32.40 2khs s GLN 80 CO 0.00 0.31 0.43 -2.13 -2.12 0.00 0.00 175.29 171.78 2khs n ARG 81 N 0.55 1.31 -3.92 2.91 0.63 -1.26 -4.81 116.66 112.06 2khs n ARG 81 Ca -0.15 -0.07 -0.35 0.00 -0.92 0.00 0.00 57.85 56.35 2khs n ARG 81 Cb 0.56 -1.26 -0.08 0.00 0.45 0.00 0.00 32.46 32.13 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 -2.69 5.13 0.05 5.15 -4.23 -1.26 0.22 115.64 118.00 2khs s THR 82 Ca -0.01 0.08 -0.00 0.00 -1.18 0.00 0.00 61.69 60.58 2khs s THR 82 Cb 0.10 -3.29 -0.04 0.00 1.34 0.00 0.00 72.50 70.61 2khs s THR 82 CO 0.58 0.51 0.20 -0.62 -0.54 0.00 0.00 174.62 174.76 2khs s ASP 83 N -0.15 6.35 0.53 3.99 2.15 0.15 -4.90 116.67 124.80 2khs s ASP 83 Ca 0.09 0.28 0.24 0.00 0.43 0.00 0.00 52.55 53.59 2khs s ASP 83 Cb -0.12 -1.96 1.48 0.00 -0.30 0.00 0.00 42.92 42.02 2khs s ASP 83 CO 0.01 0.19 2.14 0.50 -0.17 0.00 0.00 175.17 177.84 2khs h LYS 84 N 3.22 0.00 0.00 4.34 3.64 -1.99 0.04 116.57 125.82 2khs h LYS 84 Ca -0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 2khs h LYS 84 Cb 1.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 2khs h LYS 84 CO 0.75 0.06 0.00 0.98 -2.27 0.00 0.00 179.45 178.97 2khs n TYR 85 N -4.01 0.00 -1.18 1.91 9.36 -1.26 -4.87 117.16 117.10 2khs n TYR 85 Ca -0.03 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.19 2khs n TYR 85 Cb 0.15 -0.27 0.00 0.00 -0.63 0.00 0.00 39.34 38.59 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 1.08 0.76 3.05 2.98 0.00 -0.00 -5.09 105.19 107.97 2khs n GLY 86 Ca 0.14 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.66 0.40 0.00 1.61 6.06 -1.19 -4.98 118.95 118.20 2khs s ARG 87 Ca 0.00 -0.45 -0.10 0.00 -2.50 0.00 0.00 55.73 52.68 2khs s ARG 87 Cb 0.00 0.16 -0.05 0.00 0.06 0.00 0.00 34.95 35.12 2khs s ARG 87 CO 0.00 -0.09 0.33 0.20 -2.50 0.00 0.00 175.30 173.25 2khs s GLY 88 N -1.34 2.34 -0.02 8.12 0.00 -1.11 0.33 107.32 115.64 2khs s GLY 88 Ca -0.14 -0.41 0.02 0.00 0.00 0.00 0.00 44.72 44.18 2khs s GLY 88 CO 0.01 -0.14 -0.06 0.48 0.00 0.00 0.00 173.10 173.39 2khs s LEU 89 N -1.45 1.70 0.07 0.66 0.05 0.13 0.30 118.68 120.13 2khs s LEU 89 Ca 0.26 -0.13 -0.16 0.00 0.05 0.00 0.00 54.13 54.14 2khs s LEU 89 Cb -0.14 -0.41 0.03 0.00 -2.05 0.00 0.00 46.19 43.62 2khs s LEU 89 CO 0.14 0.02 0.38 0.00 -0.55 0.00 0.00 176.35 176.34 2khs s ALA 90 N 0.33 -0.90 -0.02 1.48 0.00 -0.55 -4.37 121.76 117.74 2khs s ALA 90 Ca -0.04 0.12 -0.27 0.00 0.00 0.00 0.00 51.96 51.77 2khs s ALA 90 Cb -0.08 0.45 -0.04 0.00 0.00 0.00 0.00 23.12 23.44 2khs s ALA 90 CO 0.00 -0.50 0.84 -0.47 0.00 0.00 0.00 175.76 175.62 2khs s TYR 91 N -2.93 3.64 -0.21 0.00 6.14 0.56 -0.63 117.35 123.92 2khs s TYR 91 Ca -0.02 1.49 -0.08 0.00 0.64 0.00 0.00 57.07 59.10 2khs s TYR 91 Cb 0.00 -2.95 -0.04 0.00 0.42 0.00 0.00 41.96 39.39 2khs s TYR 91 CO -0.06 0.07 0.08 0.42 0.64 0.00 0.00 175.55 176.71 2khs s ILE 92 N 0.75 4.76 -0.14 3.14 1.01 -1.26 0.04 121.20 129.50 2khs s ILE 92 Ca 0.44 -0.04 -0.04 0.00 0.00 0.00 0.00 60.65 61.02 2khs s ILE 92 Cb -0.20 -3.18 -0.03 0.00 0.01 0.00 0.00 42.46 39.06 2khs s ILE 92 CO 0.23 0.41 -0.01 -0.31 0.00 0.00 0.00 174.94 175.26 2khs s TYR 93 N 0.81 3.10 -0.50 3.97 1.51 0.19 -2.88 117.35 123.55 2khs s TYR 93 Ca 0.04 -0.10 -0.11 0.00 -1.01 0.00 0.00 57.07 55.90 2khs s TYR 93 Cb -0.13 -1.94 0.13 0.00 -0.11 0.00 0.00 41.96 39.90 2khs s TYR 93 CO 0.02 0.13 0.40 0.00 -1.11 0.00 0.00 175.55 174.99 2khs s ALA 94 N 0.05 3.48 -1.36 3.71 0.00 0.10 -0.49 121.76 127.26 2khs s ALA 94 Ca 0.02 -2.59 -0.09 0.00 0.00 0.00 0.00 51.96 49.30 2khs s ALA 94 Cb -0.13 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.05 2khs s ALA 94 CO 0.02 -1.95 0.44 -3.47 0.00 0.00 0.00 175.76 170.80 2khs n ASP 95 N 4.91 -1.52 0.00 0.00 2.03 0.74 -0.67 116.55 122.04 2khs n ASP 95 Ca -0.08 -1.11 0.00 0.00 0.52 0.00 0.00 54.79 54.13 2khs n ASP 95 Cb 0.41 -2.63 0.00 0.00 -0.72 0.00 0.00 41.12 38.18 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 -2.07 1.64 3.86 0.27 0.00 -1.26 -4.99 105.19 102.65 2khs n GLY 96 Ca -0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.21 3.65 -0.45 1.61 1.02 0.16 -5.04 119.74 120.48 2khs s LYS 97 Ca 0.00 0.09 -0.26 0.00 0.02 0.00 0.00 55.97 55.82 2khs s LYS 97 Cb 0.00 -3.17 0.03 0.00 -0.52 0.00 0.00 37.83 34.16 2khs s LYS 97 CO 0.00 0.72 0.95 -1.64 -0.92 0.00 0.00 175.35 174.46 2khs s MET 98 N -1.22 3.60 0.15 1.68 -1.94 -1.26 0.03 119.30 120.33 2khs s MET 98 Ca 0.21 0.27 -0.12 0.00 -1.71 0.00 0.00 55.69 54.33 2khs s MET 98 Cb -0.14 -3.91 0.02 0.00 2.01 0.00 0.00 34.83 32.81 2khs s MET 98 CO 0.10 -1.21 1.61 0.28 -0.01 0.00 0.00 175.02 175.79 2khs h VAL 99 N 6.07 1.26 -0.02 -6.03 2.07 -1.90 -2.69 116.25 115.01 2khs h VAL 99 Ca -0.24 -1.04 -0.10 0.00 0.82 0.00 0.00 66.70 66.14 2khs h VAL 99 Cb 1.07 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 2khs h VAL 99 CO 1.03 0.36 -0.47 -1.13 0.02 0.00 0.00 177.57 177.39 2khs h ASN 100 N 0.72 0.04 -0.73 0.57 -1.24 -1.91 -1.27 115.58 111.77 2khs h ASN 100 Ca 0.14 -0.02 -0.03 0.00 0.71 0.00 0.00 56.30 57.11 2khs h ASN 100 Cb 0.48 -0.01 -0.03 0.00 0.73 0.00 0.00 38.32 39.49 2khs h ASN 100 CO 0.02 0.50 0.36 -0.08 -1.29 0.00 0.00 177.43 176.94 2khs h GLU 101 N 0.03 1.06 -0.27 6.67 4.81 -1.89 0.58 114.58 125.56 2khs h GLU 101 Ca -0.00 -0.15 -0.14 0.00 -0.13 0.00 0.00 59.36 58.94 2khs h GLU 101 Cb 0.84 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 2khs h GLU 101 CO 0.06 0.81 -0.40 0.00 -0.73 0.00 0.00 179.01 178.75 2khs h ALA 102 N 1.34 0.79 -0.44 2.92 0.00 -1.01 0.12 119.26 122.98 2khs h ALA 102 Ca 0.26 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 2khs h ALA 102 Cb 0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2khs h ALA 102 CO -0.03 0.65 0.14 -0.07 0.00 0.00 0.00 179.25 179.94 2khs h LEU 103 N 0.53 0.64 -0.87 0.00 3.38 -0.48 -2.19 115.31 116.32 2khs h LEU 103 Ca 0.04 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 57.69 2khs h LEU 103 Cb 0.92 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2khs h LEU 103 CO 0.08 0.68 -0.46 0.58 0.09 0.00 0.00 178.44 179.41 2khs h VAL 104 N 0.57 1.33 0.00 1.22 2.07 -0.75 0.20 116.25 120.90 2khs h VAL 104 Ca 0.14 -1.64 0.00 0.00 0.82 0.00 0.00 66.70 66.02 2khs h VAL 104 Cb 0.26 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 2khs h VAL 104 CO -0.00 0.49 0.00 -0.09 0.02 0.00 0.00 177.57 177.98 2khs h ARG 105 N 0.19 0.00 -0.01 1.57 9.65 -0.33 -0.60 114.38 124.85 2khs h ARG 105 Ca 0.01 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 2khs h ARG 105 Cb 0.89 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.47 2khs h ARG 105 CO 0.07 0.00 -0.21 1.04 2.80 0.00 0.00 179.97 183.68 2khs n GLN 106 N -2.65 1.68 -3.38 0.20 1.13 -0.86 -4.99 117.38 108.51 2khs n GLN 106 Ca 0.01 -0.82 -0.19 0.00 -1.94 0.00 0.00 57.00 54.06 2khs n GLN 106 Cb 0.22 -1.18 0.07 0.00 0.11 0.00 0.00 30.24 29.46 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 0.95 -0.30 0.11 1.08 0.00 -0.23 -4.91 105.19 101.88 2khs n GLY 107 Ca 0.06 0.09 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 -4.16 0.80 -3.94 0.99 4.77 0.61 -4.97 117.00 111.10 2khs n LEU 108 Ca -0.05 0.31 -0.09 0.00 -0.03 0.00 0.00 56.01 56.14 2khs n LEU 108 Cb 0.57 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.60 2khs n LEU 108 CO 0.54 -0.14 0.33 0.00 -1.33 0.00 0.00 177.39 176.78 2khs s ALA 109 N -3.33 -0.43 0.39 -1.18 0.00 -1.25 -4.76 121.76 111.21 2khs s ALA 109 Ca -0.01 -0.82 0.08 0.00 0.00 0.00 0.00 51.96 51.21 2khs s ALA 109 Cb 0.10 0.94 -0.07 0.00 0.00 0.00 0.00 23.12 24.09 2khs s ALA 109 CO 0.80 -0.92 0.04 0.15 0.00 0.00 0.00 175.76 175.83 2khs s LYS 110 N -3.43 2.02 -0.18 0.00 1.02 -1.09 -4.47 119.74 113.60 2khs s LYS 110 Ca 0.19 -1.99 -0.06 0.00 0.02 0.00 0.00 55.97 54.14 2khs s LYS 110 Cb -0.03 -1.76 -0.03 0.00 -0.52 0.00 0.00 37.83 35.49 2khs s LYS 110 CO 0.11 -0.02 0.02 0.14 -0.92 0.00 0.00 175.35 174.67 2khs s VAL 111 N -2.65 4.25 -0.21 3.17 -7.23 -1.26 0.18 120.40 116.65 2khs s VAL 111 Ca 0.36 -0.22 -0.03 0.00 -1.81 0.00 0.00 61.98 60.28 2khs s VAL 111 Cb 0.06 -2.91 0.00 0.00 0.56 0.00 0.00 36.38 34.10 2khs s VAL 111 CO 0.19 0.45 -0.08 0.00 -0.31 0.00 0.00 175.10 175.35 2khs s ALA 112 N 0.62 2.70 -0.17 1.32 0.00 -0.83 -4.75 121.76 120.64 2khs s ALA 112 Ca 0.00 -1.20 0.01 0.00 0.00 0.00 0.00 51.96 50.77 2khs s ALA 112 Cb -0.14 -1.58 0.02 0.00 0.00 0.00 0.00 23.12 21.42 2khs s ALA 112 CO 0.02 -0.44 -0.20 -0.47 0.00 0.00 0.00 175.76 174.67 2khs s TYR 113 N 1.43 2.71 -0.48 0.00 6.14 -1.26 -3.87 117.35 122.01 2khs s TYR 113 Ca 0.05 -1.58 -0.23 0.00 0.64 0.00 0.00 57.07 55.96 2khs s TYR 113 Cb -0.14 -1.88 0.03 0.00 0.42 0.00 0.00 41.96 40.39 2khs s TYR 113 CO -0.06 -0.78 0.80 0.08 0.64 0.00 0.00 175.55 176.24 2khs s VAL 114 N 1.26 4.61 0.56 3.14 1.01 -1.26 -5.02 120.40 124.70 2khs s VAL 114 Ca 0.04 0.28 -0.07 0.00 0.00 0.00 0.00 61.98 62.23 2khs s VAL 114 Cb -0.13 -4.37 -0.01 0.00 0.00 0.00 0.00 36.38 31.86 2khs s VAL 114 CO -0.12 -0.83 0.88 -0.72 0.00 0.00 0.00 175.10 174.32 2khs s TYR 115 N 3.37 3.42 0.00 5.22 1.13 -1.26 -4.88 117.35 124.36 2khs s TYR 115 Ca 0.28 0.81 0.00 0.00 -1.41 0.00 0.00 57.07 56.75 2khs s TYR 115 Cb -0.13 -2.59 0.00 0.00 -1.10 0.00 0.00 41.96 38.14 2khs s TYR 115 CO 0.21 -0.62 0.00 1.63 -2.51 0.00 0.00 175.55 174.25 2khs n LYS 116 N -2.51 0.00 -0.01 -3.49 4.01 -1.26 -4.87 118.16 110.03 2khs n LYS 116 Ca 0.03 0.00 -0.09 0.00 -0.51 0.00 0.00 58.31 57.74 2khs n LYS 116 Cb 0.56 0.00 -0.03 0.00 -0.51 0.00 0.00 35.03 35.05 2khs n LYS 116 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 2khs h PRO 117 N 0.00 -0.24 -1.33 1.97 0.13 -1.90 -3.46 132.00 127.17 2khs h PRO 117 Ca 0.00 0.02 -0.40 0.00 -0.87 0.00 0.00 66.00 64.75 2khs h PRO 117 Cb 0.00 0.06 -0.13 0.00 0.13 0.00 0.00 31.00 31.06 2khs h PRO 117 CO 0.00 -0.16 -0.40 0.09 -0.23 0.00 0.00 178.00 177.30 2khs n ASN 118 N -5.35 -5.43 -3.85 1.44 4.13 -0.10 -4.33 115.26 101.77 2khs n ASN 118 Ca -0.02 0.38 -0.29 0.00 1.68 0.00 0.00 54.58 56.32 2khs n ASN 118 Cb 0.26 -4.62 -0.13 0.00 -1.54 0.00 0.00 39.78 33.74 2khs n ASN 118 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2khs s ASN 119 N -2.65 4.11 0.00 6.41 2.20 -1.26 -4.65 114.94 119.10 2khs s ASN 119 Ca 0.00 -3.06 0.00 0.00 -0.94 0.00 0.00 52.86 48.86 2khs s ASN 119 Cb 0.00 -1.42 0.00 0.00 -2.00 0.00 0.00 41.25 37.83 2khs s ASN 119 CO 0.00 -0.21 0.00 0.35 -2.94 0.00 0.00 177.10 174.30 2khs n THR 120 N 3.01 0.00 -1.06 0.54 -2.24 -1.26 -5.14 114.28 108.13 2khs n THR 120 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 2khs n THR 120 Cb 0.34 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 2khs n THR 120 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50