#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khs n THR 2 N 0.00 0.00 -2.67 0.00 5.66 -1.26 -5.12 114.28 110.90 2khs n THR 2 Ca 0.00 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.58 2khs n THR 2 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 2khs n THR 2 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2khs s SER 3 N 0.00 7.33 0.12 1.09 1.04 -1.26 -4.99 113.70 117.04 2khs s SER 3 Ca 0.00 1.73 -0.30 0.00 0.48 0.00 0.00 55.95 57.86 2khs s SER 3 Cb 0.00 -2.57 -0.07 0.00 0.10 0.00 0.00 66.02 63.48 2khs s SER 3 CO 0.00 -0.28 1.16 0.28 0.98 0.00 0.00 173.24 175.39 2khs s THR 4 N 0.93 3.91 -0.40 2.02 -1.32 -1.26 -4.96 115.64 114.56 2khs s THR 4 Ca 0.53 1.49 -0.24 0.00 -1.21 0.00 0.00 61.69 62.25 2khs s THR 4 Cb -0.23 -3.95 0.02 0.00 -1.51 0.00 0.00 72.50 66.83 2khs s THR 4 CO 0.28 0.18 0.84 -0.54 -2.21 0.00 0.00 174.62 173.17 2khs s LYS 5 N 0.37 3.66 0.11 7.08 3.01 -1.26 -4.92 119.74 127.80 2khs s LYS 5 Ca 0.55 0.26 -0.18 0.00 -1.01 0.00 0.00 55.97 55.59 2khs s LYS 5 Cb -0.30 -3.85 -0.05 0.00 -1.01 0.00 0.00 37.83 32.62 2khs s LYS 5 CO 0.32 -0.99 1.64 -0.22 0.51 0.00 0.00 175.35 176.62 2khs h LYS 6 N 8.68 0.47 0.00 1.68 1.63 -2.03 -3.48 116.57 123.52 2khs h LYS 6 Ca -0.24 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.46 2khs h LYS 6 Cb 1.09 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.64 2khs h LYS 6 CO 0.95 0.50 0.00 1.28 -3.45 0.00 0.00 179.45 178.73 2khs n LEU 7 N -4.71 0.00 -3.99 5.20 4.77 -1.26 -4.72 117.00 112.29 2khs n LEU 7 Ca -0.02 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.65 2khs n LEU 7 Cb 0.15 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.09 2khs n LEU 7 CO 0.36 -1.41 -0.43 -1.00 -1.33 0.00 0.00 177.39 173.59 2khs s HIS 8 N 0.00 2.81 0.04 -1.77 3.76 -1.26 -5.04 115.29 113.84 2khs s HIS 8 Ca 0.00 -2.07 -0.07 0.00 -0.15 0.00 0.00 55.06 52.77 2khs s HIS 8 Cb 0.00 -1.81 -0.05 0.00 1.11 0.00 0.00 32.58 31.83 2khs s HIS 8 CO 0.00 -0.83 0.31 0.15 -0.85 0.00 0.00 174.74 173.52 2khs s LYS 9 N 1.25 3.62 0.02 1.40 1.02 -1.26 -2.34 119.74 123.45 2khs s LYS 9 Ca -0.06 -0.03 0.00 0.00 0.02 0.00 0.00 55.97 55.91 2khs s LYS 9 Cb -0.19 -3.04 -0.02 0.00 -0.52 0.00 0.00 37.83 34.06 2khs s LYS 9 CO -0.06 0.61 -0.04 -1.83 -0.92 0.00 0.00 175.35 173.11 2khs s GLU 10 N -1.91 0.34 0.27 1.68 -1.05 -0.27 -4.95 118.70 112.81 2khs s GLU 10 Ca 0.30 -0.62 -0.29 0.00 -0.15 0.00 0.00 54.97 54.21 2khs s GLU 10 Cb -0.13 0.03 -0.09 0.00 -0.44 0.00 0.00 34.13 33.50 2khs s GLU 10 CO 0.18 -0.03 0.98 -2.14 0.95 0.00 0.00 175.26 175.20 2khs s PRO 11 N -1.44 4.73 0.10 -4.83 0.02 -1.26 -0.68 135.00 131.63 2khs s PRO 11 Ca -0.14 1.54 0.04 0.00 0.02 0.00 0.00 61.00 62.46 2khs s PRO 11 Cb -0.10 -3.15 -0.04 0.00 0.02 0.00 0.00 34.50 31.24 2khs s PRO 11 CO -0.01 0.38 -0.11 0.00 -0.33 0.00 0.00 177.00 176.93 2khs s ALA 12 N -1.27 1.18 -0.25 -1.55 0.00 0.18 -4.28 121.76 115.78 2khs s ALA 12 Ca 0.44 -1.19 -0.12 0.00 0.00 0.00 0.00 51.96 51.09 2khs s ALA 12 Cb -0.26 0.00 -0.05 0.00 0.00 0.00 0.00 23.12 22.81 2khs s ALA 12 CO 0.33 0.00 0.24 0.99 0.00 0.00 0.00 175.76 177.32 2khs s THR 13 N -2.30 5.29 -0.08 0.00 2.01 0.10 -3.64 115.64 117.02 2khs s THR 13 Ca 0.05 0.31 -0.30 0.00 0.31 0.00 0.00 61.69 62.07 2khs s THR 13 Cb -0.04 -3.57 -0.05 0.00 0.01 0.00 0.00 72.50 68.84 2khs s THR 13 CO 0.01 0.27 1.69 -0.22 -0.69 0.00 0.00 174.62 175.68 2khs s LEU 14 N 1.51 4.23 -0.16 4.42 2.96 -1.26 -0.01 118.68 130.36 2khs s LEU 14 Ca 0.10 2.16 -0.13 0.00 -0.22 0.00 0.00 54.13 56.04 2khs s LEU 14 Cb -0.15 -3.53 -0.08 0.00 0.50 0.00 0.00 46.19 42.93 2khs s LEU 14 CO 0.08 -1.03 -0.06 -0.38 -1.32 0.00 0.00 176.35 173.64 2khs n ILE 15 N 5.71 1.45 -3.52 6.68 2.08 0.47 -4.93 119.36 127.29 2khs n ILE 15 Ca 0.18 0.14 -0.12 0.00 0.56 0.00 0.00 62.75 63.51 2khs n ILE 15 Cb 0.43 -2.28 -0.04 0.00 -0.75 0.00 0.00 39.64 37.00 2khs n ILE 15 CO 0.00 0.00 0.00 -1.59 0.56 0.00 0.00 176.55 175.52 2khs s LYS 16 N -2.28 0.86 -0.20 0.38 -2.85 -1.10 -5.01 119.74 109.55 2khs s LYS 16 Ca -0.19 -0.02 -0.04 0.00 -1.00 0.00 0.00 55.97 54.72 2khs s LYS 16 Cb 0.03 0.40 -0.01 0.00 -2.06 0.00 0.00 37.83 36.19 2khs s LYS 16 CO 0.33 -0.32 -0.04 0.00 0.10 0.00 0.00 175.35 175.42 2khs s ALA 17 N -2.00 2.85 -0.08 0.59 0.00 -1.26 0.14 121.76 122.00 2khs s ALA 17 Ca -0.02 -1.06 -0.06 0.00 0.00 0.00 0.00 51.96 50.82 2khs s ALA 17 Cb -0.01 -1.64 -0.02 0.00 0.00 0.00 0.00 23.12 21.45 2khs s ALA 17 CO -0.01 -0.23 -0.11 -0.89 0.00 0.00 0.00 175.76 174.53 2khs n ILE 18 N 4.41 0.81 -4.19 0.00 -0.00 -0.23 -4.99 119.36 115.17 2khs n ILE 18 Ca -0.18 0.34 -0.10 0.00 -0.00 0.00 0.00 62.75 62.81 2khs n ILE 18 Cb 0.51 -2.01 -0.03 0.00 -0.00 0.00 0.00 39.64 38.12 2khs n ILE 18 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 2khs n ASP 19 N -3.60 1.05 -2.85 4.38 8.00 -0.77 -4.99 116.55 117.77 2khs n ASP 19 Ca -0.04 -1.85 -0.31 0.00 0.71 0.00 0.00 54.79 53.30 2khs n ASP 19 Cb 0.16 0.40 -0.05 0.00 -0.02 0.00 0.00 41.12 41.61 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 1.11 4.43 0.00 0.44 0.00 -1.26 -3.23 105.19 106.68 2khs n GLY 20 Ca -0.02 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.20 2khs n GLY 20 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2khs n ASP 21 N 1.73 0.00 -4.26 1.61 5.75 -1.26 -4.81 116.55 115.31 2khs n ASP 21 Ca 0.56 0.00 -0.36 0.00 -0.01 0.00 0.00 54.79 54.98 2khs n ASP 21 Cb 0.46 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.42 2khs n ASP 21 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2khs s THR 22 N -0.70 3.50 0.02 2.12 -4.23 -1.20 -2.34 115.64 112.81 2khs s THR 22 Ca 0.00 -1.06 0.04 0.00 -1.18 0.00 0.00 61.69 59.49 2khs s THR 22 Cb 0.00 -2.91 -0.01 0.00 1.34 0.00 0.00 72.50 70.91 2khs s THR 22 CO 0.00 -0.03 -0.12 0.68 -0.54 0.00 0.00 174.62 174.61 2khs s VAL 23 N 1.38 0.91 -0.28 2.29 -7.23 -0.65 -1.07 120.40 115.75 2khs s VAL 23 Ca -0.01 -0.72 -0.09 0.00 -1.81 0.00 0.00 61.98 59.35 2khs s VAL 23 Cb -0.18 -0.80 -0.02 0.00 0.56 0.00 0.00 36.38 35.93 2khs s VAL 23 CO 0.01 0.08 0.12 -0.75 -0.31 0.00 0.00 175.10 174.25 2khs s LYS 24 N -0.72 3.51 0.08 4.82 2.20 0.12 0.64 119.74 130.39 2khs s LYS 24 Ca 0.02 -0.59 0.10 0.00 -0.36 0.00 0.00 55.97 55.14 2khs s LYS 24 Cb -0.06 -3.47 -0.03 0.00 -1.51 0.00 0.00 37.83 32.76 2khs s LYS 24 CO 0.00 -0.30 -0.26 -0.51 -0.36 0.00 0.00 175.35 173.92 2khs s LEU 25 N 1.62 2.24 -0.36 5.43 1.02 0.03 -0.40 118.68 128.27 2khs s LEU 25 Ca 0.05 -0.66 -0.08 0.00 0.02 0.00 0.00 54.13 53.47 2khs s LEU 25 Cb -0.16 -1.22 0.04 0.00 0.02 0.00 0.00 46.19 44.87 2khs s LEU 25 CO 0.05 0.21 0.15 -0.32 0.02 0.00 0.00 176.35 176.47 2khs s MET 26 N -1.61 2.64 -0.12 1.70 1.75 0.98 -0.04 119.30 124.60 2khs s MET 26 Ca 0.12 -1.22 0.01 0.00 -1.25 0.00 0.00 55.69 53.35 2khs s MET 26 Cb -0.10 -3.57 -0.01 0.00 2.84 0.00 0.00 34.83 33.99 2khs s MET 26 CO 0.04 -0.73 -0.16 1.52 -0.65 0.00 0.00 175.02 175.04 2khs s TYR 27 N 1.43 2.75 -1.13 4.11 1.13 0.03 0.02 117.35 125.69 2khs s TYR 27 Ca 0.00 -0.70 -0.13 0.00 -1.41 0.00 0.00 57.07 54.83 2khs s TYR 27 Cb -0.20 -1.80 0.13 0.00 -1.10 0.00 0.00 41.96 38.99 2khs s TYR 27 CO 0.03 -0.23 0.37 0.36 -2.51 0.00 0.00 175.55 173.58 2khs n LYS 28 N 3.44 -2.01 -0.21 -3.49 2.85 -1.26 0.09 118.16 117.57 2khs n LYS 28 Ca -0.18 0.15 0.00 0.00 -1.05 0.00 0.00 58.31 57.23 2khs n LYS 28 Cb 0.53 -4.73 0.00 0.00 -0.65 0.00 0.00 35.03 30.18 2khs n LYS 28 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2khs n GLY 29 N -0.89 0.62 3.41 2.58 0.00 -1.26 -5.05 105.19 104.59 2khs n GLY 29 Ca 0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.77 3.00 -0.61 1.61 1.11 0.11 -5.03 119.66 119.09 2khs s GLN 30 Ca 0.00 -1.24 -0.26 0.00 0.01 0.00 0.00 55.36 53.87 2khs s GLN 30 Cb 0.00 -4.11 0.04 0.00 -1.01 0.00 0.00 33.01 27.93 2khs s GLN 30 CO 0.00 -1.03 1.11 -1.25 0.01 0.00 0.00 175.29 174.13 2khs s PRO 31 N 1.80 3.35 0.02 2.91 0.05 -1.26 -0.79 135.00 141.08 2khs s PRO 31 Ca 0.06 -0.12 0.05 0.00 0.05 0.00 0.00 61.00 61.04 2khs s PRO 31 Cb -0.23 -4.08 -0.02 0.00 0.05 0.00 0.00 34.50 30.22 2khs s PRO 31 CO 0.08 -1.73 -0.15 -1.64 0.05 0.00 0.00 177.00 173.60 2khs s MET 32 N 4.72 1.12 -0.32 4.56 -1.94 0.94 -4.94 119.30 123.43 2khs s MET 32 Ca 0.35 -0.70 -0.29 0.00 -1.71 0.00 0.00 55.69 53.35 2khs s MET 32 Cb -0.10 -1.13 0.02 0.00 2.01 0.00 0.00 34.83 35.63 2khs s MET 32 CO 0.20 0.29 1.06 0.99 -0.01 0.00 0.00 175.02 177.55 2khs s THR 33 N -0.64 4.52 0.18 2.05 2.01 -1.26 -0.79 115.64 121.71 2khs s THR 33 Ca 0.04 1.68 0.01 0.00 0.31 0.00 0.00 61.69 63.73 2khs s THR 33 Cb -0.07 -4.41 -0.04 0.00 0.01 0.00 0.00 72.50 67.99 2khs s THR 33 CO 0.01 -0.48 0.34 -0.36 -0.69 0.00 0.00 174.62 173.43 2khs s PHE 34 N 3.63 3.48 -0.14 4.92 0.40 0.21 -0.46 117.98 130.02 2khs s PHE 34 Ca 0.45 0.25 0.01 0.00 -0.60 0.00 0.00 56.93 57.04 2khs s PHE 34 Cb -0.12 -1.77 0.02 0.00 0.51 0.00 0.00 43.02 41.65 2khs s PHE 34 CO 0.16 0.44 -0.18 0.50 0.70 0.00 0.00 175.22 176.84 2khs s ARG 35 N -3.27 2.63 0.12 0.44 3.00 0.11 -1.63 118.95 120.34 2khs s ARG 35 Ca 0.37 -0.70 -0.31 0.00 -1.00 0.00 0.00 55.73 54.09 2khs s ARG 35 Cb -0.11 -2.24 -0.10 0.00 0.00 0.00 0.00 34.95 32.50 2khs s ARG 35 CO 0.29 -0.12 1.76 -0.51 0.00 0.00 0.00 175.30 176.72 2khs s LEU 36 N 1.11 4.39 0.27 -0.88 1.02 -0.99 -3.57 118.68 120.02 2khs s LEU 36 Ca -0.02 2.69 -0.31 0.00 0.02 0.00 0.00 54.13 56.52 2khs s LEU 36 Cb -0.14 -3.57 -0.12 0.00 0.02 0.00 0.00 46.19 42.37 2khs s LEU 36 CO -0.06 -0.96 1.52 0.18 0.02 0.00 0.00 176.35 177.05 2khs n LEU 37 N 5.37 3.83 -0.54 1.79 4.77 -0.55 -1.95 117.00 129.71 2khs n LEU 37 Ca 0.17 1.14 -0.07 0.00 -0.03 0.00 0.00 56.01 57.22 2khs n LEU 37 Cb 0.38 -1.52 -0.03 0.00 -2.33 0.00 0.00 43.42 39.92 2khs n LEU 37 CO 0.64 -0.11 -0.07 0.18 -1.33 0.00 0.00 177.39 176.71 2khs n LEU 38 N 2.23 -0.36 -4.21 2.23 4.77 -1.26 -4.89 117.00 115.51 2khs n LEU 38 Ca 0.10 0.18 -0.32 0.00 -0.03 0.00 0.00 56.01 55.93 2khs n LEU 38 Cb 0.34 -1.62 -0.17 0.00 -2.33 0.00 0.00 43.42 39.64 2khs n LEU 38 CO 0.63 -0.53 -0.54 -0.69 -1.33 0.00 0.00 177.39 174.93 2khs s VAL 39 N -2.10 2.14 -0.03 4.08 1.01 -0.82 -2.12 120.40 122.55 2khs s VAL 39 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.01 2khs s VAL 39 Cb 0.00 -1.84 0.03 0.00 0.00 0.00 0.00 36.38 34.56 2khs s VAL 39 CO 0.00 0.55 -0.01 -0.62 0.00 0.00 0.00 175.10 175.02 2khs s ASP 40 N 0.58 0.55 -0.20 3.32 2.15 0.98 -4.68 116.67 119.36 2khs s ASP 40 Ca -0.12 -0.04 -0.28 0.00 0.43 0.00 0.00 52.55 52.53 2khs s ASP 40 Cb -0.17 -0.26 0.00 0.00 -0.30 0.00 0.00 42.92 42.19 2khs s ASP 40 CO 0.03 -0.09 0.99 -0.89 -0.17 0.00 0.00 175.17 175.04 2khs s THR 41 N 1.03 4.73 -0.68 1.71 2.01 -1.26 -0.91 115.64 122.26 2khs s THR 41 Ca -0.10 1.94 -0.26 0.00 0.31 0.00 0.00 61.69 63.59 2khs s THR 41 Cb -0.14 -4.27 -0.03 0.00 0.01 0.00 0.00 72.50 68.07 2khs s THR 41 CO -0.01 -0.12 1.91 -2.16 -0.69 0.00 0.00 174.62 173.55 2khs s PRO 42 N 2.85 2.58 0.06 4.92 0.04 -1.26 -4.89 135.00 139.30 2khs s PRO 42 Ca 0.43 0.41 -0.30 0.00 0.04 0.00 0.00 61.00 61.58 2khs s PRO 42 Cb -0.16 -4.57 -0.09 0.00 0.04 0.00 0.00 34.50 29.73 2khs s PRO 42 CO 0.09 -2.93 1.79 -1.21 0.04 0.00 0.00 177.00 174.77 2khs s GLU 43 N 7.10 4.16 0.23 4.56 0.41 -1.26 -3.99 118.70 129.91 2khs s GLU 43 Ca 0.69 2.46 0.06 0.00 -0.41 0.00 0.00 54.97 57.77 2khs s GLU 43 Cb -0.11 -3.81 -0.03 0.00 -1.78 0.00 0.00 34.13 28.39 2khs s GLU 43 CO 0.15 -0.84 0.27 0.99 -0.49 0.00 0.00 175.26 175.34 2khs s THR 44 N 3.37 4.85 0.43 3.63 2.01 -0.79 -5.01 115.64 124.13 2khs s THR 44 Ca 0.80 -1.16 0.22 0.00 0.31 0.00 0.00 61.69 61.86 2khs s THR 44 Cb -0.41 -3.61 0.42 0.00 0.01 0.00 0.00 72.50 68.91 2khs s THR 44 CO 0.35 -0.31 1.79 0.50 -0.69 0.00 0.00 174.62 176.27 2khs h LYS 45 N 1.46 0.30 0.00 4.92 1.63 -1.94 -3.30 116.57 119.64 2khs h LYS 45 Ca -0.50 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.25 2khs h LYS 45 Cb 1.23 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.79 2khs h LYS 45 CO 0.62 0.20 -0.94 0.72 -3.45 0.00 0.00 179.45 176.59 2khs n HIS 46 N -4.52 0.00 -2.52 1.91 8.25 -1.26 -5.03 115.22 112.04 2khs n HIS 46 Ca 0.24 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.33 2khs n HIS 46 Cb 0.93 -0.44 -0.04 0.00 1.12 0.00 0.00 29.99 31.56 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 -2.72 4.33 0.00 -0.41 0.04 -1.24 -4.95 135.00 130.05 2khs s PRO 47 Ca -0.24 1.61 0.24 0.00 0.04 0.00 0.00 61.00 62.65 2khs s PRO 47 Cb 0.04 -2.77 0.55 0.00 0.04 0.00 0.00 34.50 32.36 2khs s PRO 47 CO 0.36 -0.02 1.46 1.63 0.04 0.00 0.00 177.00 180.47 2khs n LYS 48 N 0.37 2.10 -0.54 4.56 4.76 -1.26 -3.53 118.16 124.63 2khs n LYS 48 Ca 0.03 -1.63 0.09 0.00 -2.87 0.00 0.00 58.31 53.93 2khs n LYS 48 Cb 0.48 -1.47 0.32 0.00 -1.84 0.00 0.00 35.03 32.52 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 0.92 3.38 0.00 1.97 4.76 -1.26 -4.96 118.16 122.97 2khs n LYS 49 Ca 0.17 -2.57 0.00 0.00 -2.87 0.00 0.00 58.31 53.04 2khs n LYS 49 Cb 0.50 -1.81 0.00 0.00 -1.84 0.00 0.00 35.03 31.88 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 1.12 2.13 2.83 0.72 0.00 -1.23 -4.51 105.19 106.25 2khs n GLY 50 Ca 0.23 -0.24 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 2khs n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2khs s VAL 51 N 0.00 -0.06 0.31 1.61 0.11 -1.26 -1.89 120.40 119.22 2khs s VAL 51 Ca 0.00 0.22 0.04 0.00 -2.93 0.00 0.00 61.98 59.31 2khs s VAL 51 Cb 0.00 -0.15 0.10 0.00 -1.53 0.00 0.00 36.38 34.79 2khs s VAL 51 CO 0.00 0.09 1.78 -0.33 -3.33 0.00 0.00 175.10 173.31 2khs h GLU 52 N 7.36 0.42 0.05 1.54 5.08 -1.95 0.14 114.58 127.22 2khs h GLU 52 Ca -0.42 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 57.68 2khs h GLU 52 Cb 1.13 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.35 2khs h GLU 52 CO 0.43 0.61 -0.48 0.87 -1.00 0.00 0.00 179.01 179.44 2khs h LYS 53 N 0.38 0.24 0.00 2.33 1.79 -1.96 -3.39 116.57 115.96 2khs h LYS 53 Ca 0.06 -0.32 -0.07 0.00 -2.18 0.00 0.00 60.65 58.14 2khs h LYS 53 Cb 0.57 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.31 2khs h LYS 53 CO 0.04 1.08 -1.70 0.66 -1.08 0.00 0.00 179.45 178.44 2khs n TYR 54 N -4.33 0.41 0.17 -1.35 4.01 -1.20 -4.41 117.16 110.45 2khs n TYR 54 Ca -0.11 0.12 -0.16 0.00 -0.16 0.00 0.00 57.90 57.60 2khs n TYR 54 Cb 0.64 -0.78 -0.08 0.00 -0.31 0.00 0.00 39.34 38.81 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 3.95 -0.97 1.77 2.72 0.00 -0.91 0.12 103.07 109.75 2khs h GLY 55 Ca -0.10 0.52 0.01 0.00 0.00 0.00 0.00 47.33 47.77 2khs h GLY 55 CO 0.01 -0.30 0.10 -2.55 0.00 0.00 0.00 176.54 173.81 2khs h PRO 56 N -0.76 0.00 0.18 4.80 0.11 -1.78 -0.16 132.00 134.38 2khs h PRO 56 Ca -0.01 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.78 2khs h PRO 56 Cb 0.73 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.86 2khs h PRO 56 CO -0.18 0.00 -1.53 0.93 -0.21 0.00 0.00 178.00 177.01 2khs h GLU 57 N 0.00 0.38 -0.24 1.05 4.39 -1.54 -2.57 114.58 116.04 2khs h GLU 57 Ca 0.02 -0.65 -0.01 0.00 0.34 0.00 0.00 59.36 59.07 2khs h GLU 57 Cb 0.23 0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 2khs h GLU 57 CO -0.00 1.28 0.11 0.00 -1.16 0.00 0.00 179.01 179.24 2khs h ALA 58 N 0.31 0.31 -0.46 3.43 0.00 0.42 -1.80 119.26 121.47 2khs h ALA 58 Ca -0.26 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2khs h ALA 58 Cb 2.08 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.75 2khs h ALA 58 CO 0.21 -0.12 0.23 0.66 0.00 0.00 0.00 179.25 180.23 2khs h SER 59 N 0.25 0.60 -0.34 0.00 4.64 -1.18 -1.66 113.55 115.86 2khs h SER 59 Ca 0.08 -0.12 0.03 0.00 -0.47 0.00 0.00 61.79 61.32 2khs h SER 59 Cb 0.14 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.04 2khs h SER 59 CO -0.01 0.55 0.14 0.00 -0.87 0.00 0.00 176.83 176.64 2khs h ALA 60 N 1.08 0.40 -0.69 5.18 0.00 -1.27 0.81 119.26 124.77 2khs h ALA 60 Ca 0.16 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 2khs h ALA 60 Cb 0.10 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2khs h ALA 60 CO -0.02 -0.25 0.18 0.35 0.00 0.00 0.00 179.25 179.52 2khs h PHE 61 N 0.30 1.13 -0.46 0.00 3.04 -1.18 -1.89 116.94 117.88 2khs h PHE 61 Ca 0.15 -0.13 -0.00 0.00 3.98 0.00 0.00 57.97 61.97 2khs h PHE 61 Cb 0.10 -0.32 -0.02 0.00 2.56 0.00 0.00 35.95 38.26 2khs h PHE 61 CO -0.12 0.92 0.27 1.15 -2.02 0.00 0.00 178.31 178.51 2khs h THR 62 N 1.02 1.15 0.29 4.41 2.02 -0.67 -1.53 112.91 119.60 2khs h THR 62 Ca 0.22 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 2khs h THR 62 Cb 0.34 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 2khs h THR 62 CO -0.00 0.15 -0.15 0.11 0.37 0.00 0.00 175.52 176.01 2khs h LYS 63 N 0.61 -0.38 -0.30 6.66 1.57 -0.45 -1.43 116.57 122.84 2khs h LYS 63 Ca 0.16 0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 2khs h LYS 63 Cb 0.01 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 2khs h LYS 63 CO -0.03 -0.26 0.08 0.87 -0.57 0.00 0.00 179.45 179.55 2khs h LYS 64 N -0.40 0.43 -0.36 3.15 6.56 -1.29 -0.52 116.57 124.14 2khs h LYS 64 Ca -0.04 -0.06 -0.05 0.00 -1.06 0.00 0.00 60.65 59.45 2khs h LYS 64 Cb 0.31 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 31.88 2khs h LYS 64 CO 0.06 0.40 0.04 1.98 -2.06 0.00 0.00 179.45 179.87 2khs h MET 65 N 0.43 0.61 0.00 3.15 4.05 -0.78 0.09 114.93 122.48 2khs h MET 65 Ca 0.10 -0.17 -0.08 0.00 -0.28 0.00 0.00 59.70 59.27 2khs h MET 65 Cb 0.16 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.88 2khs h MET 65 CO -0.01 0.69 -0.39 -0.39 0.23 0.00 0.00 176.91 177.05 2khs h VAL 66 N 0.44 0.78 -0.04 -5.77 -1.51 -0.89 -2.64 116.25 106.63 2khs h VAL 66 Ca 0.11 -1.71 -0.13 0.00 -1.23 0.00 0.00 66.70 63.74 2khs h VAL 66 Cb 0.39 2.10 -0.01 0.00 -2.13 0.00 0.00 31.29 31.63 2khs h VAL 66 CO 0.01 0.38 -0.57 -0.33 -1.23 0.00 0.00 177.57 175.83 2khs h GLU 67 N 0.00 0.14 0.00 5.19 5.08 -0.81 -3.03 114.58 121.15 2khs h GLU 67 Ca -0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2khs h GLU 67 Cb 1.07 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2khs h GLU 67 CO 0.05 0.67 0.00 -1.71 -1.00 0.00 0.00 179.01 177.02 2khs n ASN 68 N -3.88 0.00 -4.71 1.42 4.05 -0.01 -4.83 115.26 107.30 2khs n ASN 68 Ca -0.02 0.45 -0.42 0.00 0.45 0.00 0.00 54.58 55.04 2khs n ASN 68 Cb 0.59 -0.48 -0.03 0.00 1.23 0.00 0.00 39.78 41.08 2khs n ASN 68 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2khs s ALA 69 N -2.97 3.63 0.03 5.20 0.00 -1.10 -4.89 121.76 121.67 2khs s ALA 69 Ca 0.14 1.13 -0.22 0.00 0.00 0.00 0.00 51.96 53.00 2khs s ALA 69 Cb 0.17 -3.58 -0.15 0.00 0.00 0.00 0.00 23.12 19.56 2khs s ALA 69 CO 0.48 -0.77 1.39 0.87 0.00 0.00 0.00 175.76 177.73 2khs h LYS 70 N 7.22 0.22 -4.37 0.00 1.57 -1.88 -3.44 116.57 115.90 2khs h LYS 70 Ca -0.41 -0.09 -0.42 0.00 -1.87 0.00 0.00 60.65 57.85 2khs h LYS 70 Cb 1.20 -0.01 -0.32 0.00 0.08 0.00 0.00 32.23 33.18 2khs h LYS 70 CO 0.89 0.56 -0.78 0.15 -0.57 0.00 0.00 179.45 179.70 2khs s LYS 71 N -4.60 0.94 -0.26 3.15 1.02 -1.26 -4.99 119.74 113.74 2khs s LYS 71 Ca -0.15 -0.24 -0.18 0.00 0.02 0.00 0.00 55.97 55.42 2khs s LYS 71 Cb 0.05 -0.88 -0.02 0.00 -0.52 0.00 0.00 37.83 36.45 2khs s LYS 71 CO 0.72 0.04 0.54 0.42 -0.92 0.00 0.00 175.35 176.15 2khs s ILE 72 N 0.46 5.05 -0.11 2.17 1.09 -1.24 0.05 121.20 128.67 2khs s ILE 72 Ca -0.07 0.94 0.00 0.00 -1.10 0.00 0.00 60.65 60.42 2khs s ILE 72 Cb -0.11 -3.85 -0.02 0.00 -1.06 0.00 0.00 42.46 37.42 2khs s ILE 72 CO 0.01 0.07 -0.10 -1.61 -0.10 0.00 0.00 174.94 173.20 2khs s GLU 73 N 2.36 3.17 -0.18 2.79 0.41 -0.30 0.50 118.70 127.45 2khs s GLU 73 Ca 0.22 -0.63 -0.03 0.00 -0.41 0.00 0.00 54.97 54.12 2khs s GLU 73 Cb -0.16 -2.63 -0.02 0.00 -1.78 0.00 0.00 34.13 29.55 2khs s GLU 73 CO 0.09 0.37 -0.05 0.14 -0.49 0.00 0.00 175.26 175.32 2khs s VAL 74 N -0.04 3.56 -0.12 2.63 -7.23 0.14 -0.76 120.40 118.57 2khs s VAL 74 Ca -0.02 -0.46 0.00 0.00 -1.81 0.00 0.00 61.98 59.70 2khs s VAL 74 Cb -0.14 -2.58 -0.02 0.00 0.56 0.00 0.00 36.38 34.21 2khs s VAL 74 CO 0.03 0.46 -0.13 -0.70 -0.31 0.00 0.00 175.10 174.46 2khs s GLU 75 N 0.85 3.27 -0.25 4.82 2.12 0.12 -1.12 118.70 128.52 2khs s GLU 75 Ca -0.01 -0.68 -0.09 0.00 0.36 0.00 0.00 54.97 54.54 2khs s GLU 75 Cb -0.15 -2.60 -0.04 0.00 0.26 0.00 0.00 34.13 31.60 2khs s GLU 75 CO 0.01 0.27 0.13 0.12 -0.54 0.00 0.00 175.26 175.25 2khs s PHE 76 N 0.20 3.20 0.25 5.30 5.36 -0.99 -1.20 117.98 130.10 2khs s PHE 76 Ca -0.08 -0.03 0.01 0.00 -0.96 0.00 0.00 56.93 55.87 2khs s PHE 76 Cb -0.15 -2.27 0.05 0.00 -0.34 0.00 0.00 43.02 40.31 2khs s PHE 76 CO 0.05 -0.13 0.34 -3.47 -1.46 0.00 0.00 175.22 170.56 2khs n ASP 77 N 4.62 0.57 -0.46 6.13 -0.08 -1.26 -4.04 116.55 122.02 2khs n ASP 77 Ca -0.15 -1.45 0.01 0.00 -1.51 0.00 0.00 54.79 51.68 2khs n ASP 77 Cb 0.52 -0.21 0.03 0.00 2.34 0.00 0.00 41.12 43.80 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 -1.61 1.26 0.00 -0.67 5.02 -1.26 -4.65 118.16 116.25 2khs n LYS 78 Ca 0.06 -0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 2khs n LYS 78 Cb 0.21 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 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 0.21 0.94 3.63 0.72 0.00 -1.26 -5.11 105.19 104.31 2khs n GLY 79 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 3.19 2.37 0.00 1.61 -1.52 -1.26 -5.00 119.66 119.05 2khs s GLN 80 Ca 0.00 -0.90 0.11 0.00 -1.95 0.00 0.00 55.36 52.62 2khs s GLN 80 Cb 0.00 -2.44 -0.07 0.00 -0.22 0.00 0.00 33.01 30.28 2khs s GLN 80 CO 0.00 0.54 0.52 -2.13 -0.25 0.00 0.00 175.29 173.96 2khs n ARG 81 N 0.76 3.04 -3.78 2.91 0.63 -1.26 -4.63 116.66 114.34 2khs n ARG 81 Ca -0.13 -0.22 -0.13 0.00 -0.92 0.00 0.00 57.85 56.46 2khs n ARG 81 Cb 0.52 -1.03 -0.09 0.00 0.45 0.00 0.00 32.46 32.31 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 -1.79 0.07 0.14 5.15 -4.23 -1.26 -0.14 115.64 113.58 2khs s THR 82 Ca 0.06 -0.56 0.06 0.00 -1.18 0.00 0.00 61.69 60.07 2khs s THR 82 Cb 0.08 -0.67 -0.04 0.00 1.34 0.00 0.00 72.50 73.21 2khs s THR 82 CO 0.37 -0.31 0.05 -0.62 -0.54 0.00 0.00 174.62 173.57 2khs s ASP 83 N -1.51 5.11 0.30 3.99 2.15 0.13 -4.80 116.67 122.05 2khs s ASP 83 Ca -0.12 -0.23 0.25 0.00 0.43 0.00 0.00 52.55 52.88 2khs s ASP 83 Cb -0.04 -1.22 1.05 0.00 -0.30 0.00 0.00 42.92 42.41 2khs s ASP 83 CO 0.02 0.11 1.74 0.50 -0.17 0.00 0.00 175.17 177.38 2khs h LYS 84 N 2.85 0.00 0.00 4.34 3.64 -2.02 -0.77 116.57 124.61 2khs h LYS 84 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2khs h LYS 84 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2khs h LYS 84 CO 0.61 0.00 0.00 0.98 -2.27 0.00 0.00 179.45 178.77 2khs n TYR 85 N -2.34 0.02 -1.07 1.91 9.36 -1.26 -4.86 117.16 118.92 2khs n TYR 85 Ca 0.02 0.01 0.00 0.00 3.32 0.00 0.00 57.90 61.24 2khs n TYR 85 Cb 0.22 -0.51 0.00 0.00 -0.63 0.00 0.00 39.34 38.42 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 0.68 0.82 3.18 2.98 0.00 -0.30 -5.09 105.19 107.46 2khs n GLY 86 Ca 0.05 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 2khs n GLY 86 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2khs s ARG 87 N -1.98 1.31 0.30 1.61 6.06 -1.17 -4.89 118.95 120.19 2khs s ARG 87 Ca 0.00 -0.72 -0.21 0.00 -2.50 0.00 0.00 55.73 52.30 2khs s ARG 87 Cb 0.00 -1.31 -0.09 0.00 0.06 0.00 0.00 34.95 33.61 2khs s ARG 87 CO 0.00 0.35 0.82 0.20 -2.50 0.00 0.00 175.30 174.17 2khs s GLY 88 N -0.73 2.58 -0.13 8.12 0.00 0.39 0.21 107.32 117.76 2khs s GLY 88 Ca 0.06 0.28 0.00 0.00 0.00 0.00 0.00 44.72 45.06 2khs s GLY 88 CO 0.00 0.62 -0.11 1.08 0.00 0.00 0.00 173.10 174.69 2khs s LEU 89 N -2.36 1.48 0.16 0.66 1.43 0.80 0.07 118.68 120.92 2khs s LEU 89 Ca 0.50 -0.41 -0.18 0.00 -1.03 0.00 0.00 54.13 53.00 2khs s LEU 89 Cb -0.15 -1.04 0.04 0.00 0.03 0.00 0.00 46.19 45.08 2khs s LEU 89 CO 0.20 -0.08 0.50 0.00 0.23 0.00 0.00 176.35 177.19 2khs s ALA 90 N 1.58 -1.11 -0.21 4.21 0.00 -1.23 -4.02 121.76 120.98 2khs s ALA 90 Ca 0.05 0.03 -0.18 0.00 0.00 0.00 0.00 51.96 51.86 2khs s ALA 90 Cb -0.13 0.80 -0.03 0.00 0.00 0.00 0.00 23.12 23.76 2khs s ALA 90 CO -0.10 -0.73 0.51 -0.47 0.00 0.00 0.00 175.76 174.97 2khs s TYR 91 N -3.81 3.35 -0.19 0.00 6.14 -0.34 -1.49 117.35 121.01 2khs s TYR 91 Ca 0.05 0.74 -0.10 0.00 0.64 0.00 0.00 57.07 58.39 2khs s TYR 91 Cb 0.00 -2.67 -0.05 0.00 0.42 0.00 0.00 41.96 39.66 2khs s TYR 91 CO -0.09 -0.13 0.15 0.42 0.64 0.00 0.00 175.55 176.54 2khs s ILE 92 N 1.75 5.40 0.09 3.14 -1.09 -1.26 -0.70 121.20 128.52 2khs s ILE 92 Ca 0.23 0.24 0.09 0.00 -2.23 0.00 0.00 60.65 58.99 2khs s ILE 92 Cb -0.15 -3.49 -0.03 0.00 -1.58 0.00 0.00 42.46 37.20 2khs s ILE 92 CO 0.09 0.45 -0.24 -0.31 -1.23 0.00 0.00 174.94 173.70 2khs s TYR 93 N 0.26 2.09 -0.52 3.97 1.51 0.06 -2.34 117.35 122.39 2khs s TYR 93 Ca 0.10 -0.40 -0.11 0.00 -1.01 0.00 0.00 57.07 55.66 2khs s TYR 93 Cb -0.11 -1.19 0.13 0.00 -0.11 0.00 0.00 41.96 40.68 2khs s TYR 93 CO -0.01 0.21 0.41 0.00 -1.11 0.00 0.00 175.55 175.05 2khs s ALA 94 N -0.97 3.50 -0.64 3.71 0.00 0.09 -1.14 121.76 126.31 2khs s ALA 94 Ca 0.10 -2.62 -0.02 0.00 0.00 0.00 0.00 51.96 49.42 2khs s ALA 94 Cb -0.10 -2.96 0.02 0.00 0.00 0.00 0.00 23.12 20.08 2khs s ALA 94 CO 0.04 -1.96 0.09 -0.40 0.00 0.00 0.00 175.76 173.53 2khs n ASP 95 N 4.86 -2.43 0.00 0.00 5.68 0.11 -0.14 116.55 124.63 2khs n ASP 95 Ca -0.07 0.18 0.00 0.00 -0.50 0.00 0.00 54.79 54.40 2khs n ASP 95 Cb 0.41 -2.13 0.00 0.00 -1.14 0.00 0.00 41.12 38.26 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 -0.72 0.62 3.68 6.12 0.00 -1.26 -4.96 105.19 108.67 2khs n GLY 96 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 4.36 -0.51 1.61 1.02 0.80 -4.98 119.74 121.42 2khs s LYS 97 Ca 0.00 1.12 -0.27 0.00 0.02 0.00 0.00 55.97 56.84 2khs s LYS 97 Cb 0.00 -3.55 -0.03 0.00 -0.52 0.00 0.00 37.83 33.73 2khs s LYS 97 CO 0.00 -0.27 1.95 -1.64 -0.92 0.00 0.00 175.35 174.47 2khs s MET 98 N 1.93 2.73 0.21 1.68 -1.94 -1.26 -0.73 119.30 121.91 2khs s MET 98 Ca 0.41 1.00 -0.06 0.00 -1.71 0.00 0.00 55.69 55.33 2khs s MET 98 Cb -0.17 -4.37 0.15 0.00 2.01 0.00 0.00 34.83 32.45 2khs s MET 98 CO 0.15 -2.58 1.66 0.28 -0.01 0.00 0.00 175.02 174.51 2khs h VAL 99 N 7.01 1.26 0.04 -6.03 2.07 -1.82 -0.10 116.25 118.69 2khs h VAL 99 Ca -0.28 -1.18 0.01 0.00 0.82 0.00 0.00 66.70 66.07 2khs h VAL 99 Cb 1.18 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 2khs h VAL 99 CO 1.15 0.42 -0.11 -1.13 0.02 0.00 0.00 177.57 177.92 2khs h ASN 100 N 0.85 -0.30 0.07 0.57 -0.73 -1.88 -1.77 115.58 112.38 2khs h ASN 100 Ca 0.14 0.04 -0.13 0.00 1.87 0.00 0.00 56.30 58.22 2khs h ASN 100 Cb 0.60 0.12 -0.01 0.00 0.27 0.00 0.00 38.32 39.30 2khs h ASN 100 CO 0.04 -0.16 -0.45 -0.08 -0.37 0.00 0.00 177.43 176.41 2khs h GLU 101 N -0.20 0.47 -0.70 6.67 4.81 -1.88 -0.92 114.58 122.82 2khs h GLU 101 Ca 0.03 -0.25 0.03 0.00 -0.13 0.00 0.00 59.36 59.04 2khs h GLU 101 Cb 0.23 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.58 2khs h GLU 101 CO -0.08 0.83 0.44 0.00 -0.73 0.00 0.00 179.01 179.46 2khs h ALA 102 N 1.14 0.92 -0.48 2.92 0.00 -0.79 0.52 119.26 123.49 2khs h ALA 102 Ca 0.03 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2khs h ALA 102 Cb 0.94 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2khs h ALA 102 CO 0.08 0.20 0.07 -0.07 0.00 0.00 0.00 179.25 179.53 2khs h LEU 103 N 0.85 0.78 -0.56 0.00 3.38 -0.83 -2.40 115.31 116.52 2khs h LEU 103 Ca 0.28 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 2khs h LEU 103 Cb 0.03 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2khs h LEU 103 CO -0.11 0.85 0.07 0.58 0.09 0.00 0.00 178.44 179.91 2khs h VAL 104 N 0.68 1.26 0.00 1.22 2.07 -0.36 0.26 116.25 121.38 2khs h VAL 104 Ca 0.15 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.65 2khs h VAL 104 Cb 0.41 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2khs h VAL 104 CO 0.01 0.37 0.00 0.03 0.02 0.00 0.00 177.57 178.00 2khs h ARG 105 N 0.84 0.00 -0.12 1.57 3.08 0.14 -0.72 114.38 119.17 2khs h ARG 105 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2khs h ARG 105 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2khs h ARG 105 CO 0.02 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 179.96 2khs n GLN 106 N -2.52 1.66 -3.55 0.04 1.13 -0.92 -4.99 117.38 108.25 2khs n GLN 106 Ca 0.02 -1.69 -0.21 0.00 -1.94 0.00 0.00 57.00 53.18 2khs n GLN 106 Cb 0.26 -1.35 0.08 0.00 0.11 0.00 0.00 30.24 29.34 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 0.99 -0.46 0.96 1.08 0.00 -0.28 -4.91 105.19 102.58 2khs n GLY 107 Ca 0.12 0.19 0.08 0.00 0.00 0.00 0.00 46.02 46.41 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 -4.62 3.43 -3.78 0.99 4.77 0.82 -4.98 117.00 113.63 2khs n LEU 108 Ca -0.12 -2.04 -0.04 0.00 -0.03 0.00 0.00 56.01 53.78 2khs n LEU 108 Cb 0.61 -0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 41.33 2khs n LEU 108 CO 0.64 0.84 0.68 0.00 -1.33 0.00 0.00 177.39 178.21 2khs s ALA 109 N -1.07 -1.57 0.07 -1.18 0.00 -1.25 -4.80 121.76 111.95 2khs s ALA 109 Ca 0.35 0.03 0.08 0.00 0.00 0.00 0.00 51.96 52.41 2khs s ALA 109 Cb 0.19 0.68 -0.04 0.00 0.00 0.00 0.00 23.12 23.95 2khs s ALA 109 CO 0.23 -1.05 -0.19 0.15 0.00 0.00 0.00 175.76 174.90 2khs s LYS 110 N -3.35 1.92 0.15 0.00 1.02 -0.09 -4.78 119.74 114.61 2khs s LYS 110 Ca 0.12 -1.08 -0.30 0.00 0.02 0.00 0.00 55.97 54.73 2khs s LYS 110 Cb -0.02 -2.14 -0.07 0.00 -0.52 0.00 0.00 37.83 35.08 2khs s LYS 110 CO 0.03 0.51 1.17 0.08 -0.92 0.00 0.00 175.35 176.23 2khs s VAL 111 N -1.01 3.77 0.40 3.17 1.01 -1.25 -0.02 120.40 126.47 2khs s VAL 111 Ca 0.16 1.43 -0.10 0.00 0.00 0.00 0.00 61.98 63.46 2khs s VAL 111 Cb -0.10 -3.91 -0.06 0.00 0.00 0.00 0.00 36.38 32.30 2khs s VAL 111 CO 0.07 0.20 0.76 0.00 0.00 0.00 0.00 175.10 176.13 2khs s ALA 112 N 0.21 3.35 0.28 5.51 0.00 -0.90 -4.82 121.76 125.40 2khs s ALA 112 Ca 0.54 -0.21 -0.29 0.00 0.00 0.00 0.00 51.96 51.99 2khs s ALA 112 Cb -0.31 -2.69 -0.10 0.00 0.00 0.00 0.00 23.12 20.02 2khs s ALA 112 CO 0.34 -0.01 1.17 0.71 0.00 0.00 0.00 175.76 177.97 2khs s TYR 113 N -2.37 3.41 0.31 0.00 1.51 -1.26 -4.69 117.35 114.26 2khs s TYR 113 Ca 0.51 1.58 -0.10 0.00 -1.01 0.00 0.00 57.07 58.05 2khs s TYR 113 Cb -0.10 -3.41 -0.07 0.00 -0.11 0.00 0.00 41.96 38.26 2khs s TYR 113 CO 0.31 -1.00 0.65 0.08 -1.11 0.00 0.00 175.55 174.49 2khs s VAL 114 N -1.02 4.84 -1.34 0.71 1.01 -1.26 -4.98 120.40 118.36 2khs s VAL 114 Ca 0.47 0.57 -0.13 0.00 0.00 0.00 0.00 61.98 62.89 2khs s VAL 114 Cb -0.34 -3.66 0.11 0.00 0.00 0.00 0.00 36.38 32.48 2khs s VAL 114 CO 0.44 -0.25 1.93 0.00 0.00 0.00 0.00 175.10 177.21 2khs n TYR 115 N -0.61 3.69 -4.23 5.22 9.36 -1.26 -4.93 117.16 124.40 2khs n TYR 115 Ca 0.01 -2.94 -0.33 0.00 3.32 0.00 0.00 57.90 57.96 2khs n TYR 115 Cb 0.53 -2.31 -0.08 0.00 -0.63 0.00 0.00 39.34 36.85 2khs n TYR 115 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 2khs s LYS 116 N 2.14 2.94 0.00 2.98 2.47 -1.26 -5.12 119.74 123.90 2khs s LYS 116 Ca 0.45 -0.51 0.00 0.00 -1.56 0.00 0.00 55.97 54.35 2khs s LYS 116 Cb 0.09 -2.78 0.00 0.00 -1.46 0.00 0.00 37.83 33.68 2khs s LYS 116 CO -0.02 0.66 0.00 -0.35 0.16 0.00 0.00 175.35 175.80 2khs n PRO 117 N 1.53 1.03 0.06 4.03 -0.04 -1.26 -5.01 135.00 135.34 2khs n PRO 117 Ca -0.15 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.32 2khs n PRO 117 Cb 0.53 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.94 2khs n PRO 117 CO 0.00 0.00 0.00 -2.95 -0.04 0.00 0.00 175.50 172.51 2khs h ASN 118 N 0.00 0.00 -2.14 3.54 7.08 -2.04 -3.44 115.58 118.59 2khs h ASN 118 Ca 0.00 0.00 -0.26 0.00 -3.08 0.00 0.00 56.30 52.96 2khs h ASN 118 Cb 0.00 0.00 -0.32 0.00 -2.08 0.00 0.00 38.32 35.92 2khs h ASN 118 CO 0.00 0.54 -0.58 0.20 -2.08 0.00 0.00 177.43 175.51 2khs s ASN 119 N -5.96 1.04 0.00 6.14 0.01 -1.26 -4.91 114.94 110.00 2khs s ASN 119 Ca -0.01 -0.28 0.00 0.00 -0.71 0.00 0.00 52.86 51.86 2khs s ASN 119 Cb 0.08 0.71 0.00 0.00 0.41 0.00 0.00 41.25 42.45 2khs s ASN 119 CO 0.79 -0.34 0.65 1.07 -1.51 0.00 0.00 177.10 177.76 2khs n THR 120 N 5.33 0.00 -0.99 1.60 5.66 -1.26 -5.23 114.28 119.39 2khs n THR 120 Ca -0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 2khs n THR 120 Cb 0.49 0.75 0.00 0.00 -1.55 0.00 0.00 70.33 70.01 2khs n THR 120 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59