#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 1.75 -2.80 0.00 -2.24 -1.26 -4.55 114.28 105.18 2khs n THR 2 Ca 0.00 -0.61 -0.44 0.00 -2.27 0.00 0.00 64.05 60.73 2khs n THR 2 Cb 0.00 -1.74 0.00 0.00 -2.10 0.00 0.00 70.33 66.49 2khs n THR 2 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2khs n SER 3 N -3.53 5.15 -0.08 3.42 7.64 -1.26 -4.65 113.62 120.30 2khs n SER 3 Ca -0.33 -2.99 -0.11 0.00 1.01 0.00 0.00 58.87 56.46 2khs n SER 3 Cb 1.02 -1.58 -0.05 0.00 -1.01 0.00 0.00 64.21 62.60 2khs n SER 3 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2khs n THR 4 N 4.61 1.46 -1.75 0.44 -2.24 -1.26 -4.69 114.28 110.85 2khs n THR 4 Ca 0.39 0.12 0.04 0.00 -2.27 0.00 0.00 64.05 62.33 2khs n THR 4 Cb 0.42 -2.28 0.07 0.00 -2.10 0.00 0.00 70.33 66.45 2khs n THR 4 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2khs n LYS 5 N -4.54 0.58 -4.44 -0.78 5.02 -1.26 -5.01 118.16 107.74 2khs n LYS 5 Ca -0.16 -1.92 -0.30 0.00 -2.02 0.00 0.00 58.31 53.91 2khs n LYS 5 Cb 0.42 -0.86 -0.17 0.00 -0.02 0.00 0.00 35.03 34.41 2khs n LYS 5 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2khs s LYS 6 N -1.27 2.44 0.00 1.97 2.36 -1.26 -5.13 119.74 118.85 2khs s LYS 6 Ca 0.20 -0.64 0.00 0.00 -2.55 0.00 0.00 55.97 52.98 2khs s LYS 6 Cb 0.19 -2.06 0.00 0.00 -1.05 0.00 0.00 37.83 34.91 2khs s LYS 6 CO -0.03 -0.08 0.00 1.28 1.55 0.00 0.00 175.35 178.07 2khs n LEU 7 N 4.26 0.00 -4.54 5.43 4.77 -1.26 -4.46 117.00 121.21 2khs n LEU 7 Ca -0.19 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.39 2khs n LEU 7 Cb 0.51 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.49 2khs n LEU 7 CO 0.24 0.00 -0.14 -1.00 -1.33 0.00 0.00 177.39 175.17 2khs s HIS 8 N 2.79 3.22 -0.04 -1.77 3.76 -1.26 -5.04 115.29 116.95 2khs s HIS 8 Ca 0.00 -0.17 0.02 0.00 -0.15 0.00 0.00 55.06 54.76 2khs s HIS 8 Cb 0.00 -2.45 -0.03 0.00 1.11 0.00 0.00 32.58 31.21 2khs s HIS 8 CO 0.00 -0.33 -0.06 -1.59 -0.85 0.00 0.00 174.74 171.91 2khs s LYS 9 N 1.72 2.68 0.01 1.40 -2.85 -1.26 -3.02 119.74 118.42 2khs s LYS 9 Ca 0.06 -0.62 0.00 0.00 -1.00 0.00 0.00 55.97 54.42 2khs s LYS 9 Cb -0.17 -2.56 -0.01 0.00 -2.06 0.00 0.00 37.83 33.03 2khs s LYS 9 CO 0.10 0.64 -0.02 -1.83 0.10 0.00 0.00 175.35 174.34 2khs s GLU 10 N -1.09 0.17 0.57 1.78 -1.05 0.08 -4.92 118.70 114.25 2khs s GLU 10 Ca 0.15 -0.26 -0.20 0.00 -0.15 0.00 0.00 54.97 54.51 2khs s GLU 10 Cb -0.11 -0.03 -0.04 0.00 -0.44 0.00 0.00 34.13 33.52 2khs s GLU 10 CO 0.04 -0.00 1.30 -2.14 0.95 0.00 0.00 175.26 175.41 2khs s PRO 11 N -0.57 3.01 0.15 -4.83 0.02 -1.26 -0.14 135.00 131.38 2khs s PRO 11 Ca -0.05 2.09 -0.01 0.00 0.02 0.00 0.00 61.00 63.05 2khs s PRO 11 Cb -0.04 -2.11 -0.04 0.00 0.02 0.00 0.00 34.50 32.33 2khs s PRO 11 CO -0.00 -1.25 0.06 0.00 -0.33 0.00 0.00 177.00 175.48 2khs s ALA 12 N -1.39 1.02 -0.18 -1.55 0.00 0.20 -4.60 121.76 115.26 2khs s ALA 12 Ca 0.75 -1.54 -0.09 0.00 0.00 0.00 0.00 51.96 51.08 2khs s ALA 12 Cb -0.37 0.91 -0.05 0.00 0.00 0.00 0.00 23.12 23.61 2khs s ALA 12 CO 0.42 -0.48 0.12 0.99 0.00 0.00 0.00 175.76 176.81 2khs s THR 13 N -4.00 5.30 -0.09 0.00 2.01 0.15 -3.80 115.64 115.22 2khs s THR 13 Ca 0.27 0.15 -0.30 0.00 0.31 0.00 0.00 61.69 62.12 2khs s THR 13 Cb 0.07 -3.39 -0.02 0.00 0.01 0.00 0.00 72.50 69.18 2khs s THR 13 CO 0.04 0.48 1.00 -0.22 -0.69 0.00 0.00 174.62 175.23 2khs s LEU 14 N 0.08 4.27 -0.19 4.42 2.96 -1.26 -0.04 118.68 128.91 2khs s LEU 14 Ca 0.09 1.56 -0.16 0.00 -0.22 0.00 0.00 54.13 55.39 2khs s LEU 14 Cb -0.11 -3.56 -0.11 0.00 0.50 0.00 0.00 46.19 42.91 2khs s LEU 14 CO -0.00 -0.42 -0.05 -0.38 -1.32 0.00 0.00 176.35 174.18 2khs n ILE 15 N 4.44 1.49 -3.57 6.68 2.08 0.71 -4.93 119.36 126.25 2khs n ILE 15 Ca 0.08 0.04 -0.12 0.00 0.56 0.00 0.00 62.75 63.31 2khs n ILE 15 Cb 0.49 -2.18 -0.06 0.00 -0.75 0.00 0.00 39.64 37.14 2khs n ILE 15 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 2khs s LYS 16 N -2.38 0.71 -0.05 0.38 2.20 -1.16 -5.01 119.74 114.42 2khs s LYS 16 Ca -0.25 0.22 -0.27 0.00 -0.36 0.00 0.00 55.97 55.31 2khs s LYS 16 Cb 0.05 0.33 -0.03 0.00 -1.51 0.00 0.00 37.83 36.68 2khs s LYS 16 CO 0.43 -0.21 0.88 0.00 -0.36 0.00 0.00 175.35 176.09 2khs s ALA 17 N -1.00 3.28 -0.22 3.13 0.00 -1.26 -0.19 121.76 125.49 2khs s ALA 17 Ca -0.04 0.35 -0.13 0.00 0.00 0.00 0.00 51.96 52.14 2khs s ALA 17 Cb -0.01 -3.22 -0.09 0.00 0.00 0.00 0.00 23.12 19.80 2khs s ALA 17 CO 0.03 -0.28 -0.31 -0.89 0.00 0.00 0.00 175.76 174.32 2khs n ILE 18 N 4.02 1.34 -4.31 0.00 2.08 0.02 -4.92 119.36 117.60 2khs n ILE 18 Ca 0.04 -0.24 -0.17 0.00 0.56 0.00 0.00 62.75 62.94 2khs n ILE 18 Cb 0.51 -1.90 -0.05 0.00 -0.75 0.00 0.00 39.64 37.44 2khs n ILE 18 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 2khs n ASP 19 N -4.12 0.61 -2.41 4.38 9.92 0.80 -4.96 116.55 120.77 2khs n ASP 19 Ca -0.41 -2.55 -0.24 0.00 -0.53 0.00 0.00 54.79 51.07 2khs n ASP 19 Cb 0.77 0.88 -0.09 0.00 -0.64 0.00 0.00 41.12 42.04 2khs n ASP 19 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2khs n GLY 20 N -0.08 4.02 0.16 0.44 0.00 -1.26 -3.60 105.19 104.87 2khs n GLY 20 Ca -0.01 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.30 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 1.38 -0.31 -4.65 1.61 -0.08 -1.26 -4.75 116.55 108.49 2khs n ASP 21 Ca 0.48 0.53 -0.42 0.00 -1.51 0.00 0.00 54.79 53.87 2khs n ASP 21 Cb 0.63 0.75 -0.03 0.00 2.34 0.00 0.00 41.12 44.81 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 4.76 0.03 5.18 2.01 -1.24 -4.10 115.64 120.29 2khs s THR 22 Ca 0.00 1.81 0.06 0.00 0.31 0.00 0.00 61.69 63.88 2khs s THR 22 Cb 0.00 -4.22 -0.02 0.00 0.01 0.00 0.00 72.50 68.27 2khs s THR 22 CO 0.00 -0.13 -0.18 0.68 -0.69 0.00 0.00 174.62 174.31 2khs s VAL 23 N 3.00 1.42 -0.28 3.82 -7.23 0.03 -0.14 120.40 121.02 2khs s VAL 23 Ca 0.40 -1.06 -0.13 0.00 -1.81 0.00 0.00 61.98 59.38 2khs s VAL 23 Cb -0.15 -1.25 -0.04 0.00 0.56 0.00 0.00 36.38 35.50 2khs s VAL 23 CO 0.07 0.16 0.27 -0.75 -0.31 0.00 0.00 175.10 174.53 2khs s LYS 24 N -1.06 3.94 0.25 4.82 2.20 0.73 -0.12 119.74 130.50 2khs s LYS 24 Ca 0.05 -0.20 0.12 0.00 -0.36 0.00 0.00 55.97 55.57 2khs s LYS 24 Cb -0.08 -3.67 -0.05 0.00 -1.51 0.00 0.00 37.83 32.52 2khs s LYS 24 CO 0.01 -0.24 -0.21 -0.51 -0.36 0.00 0.00 175.35 174.04 2khs s LEU 25 N 1.89 2.54 -0.28 5.43 2.01 -0.16 -0.21 118.68 129.90 2khs s LEU 25 Ca 0.10 -0.98 0.02 0.00 0.01 0.00 0.00 54.13 53.28 2khs s LEU 25 Cb -0.16 -1.09 0.08 0.00 0.01 0.00 0.00 46.19 45.02 2khs s LEU 25 CO 0.11 0.05 -0.01 -0.32 1.01 0.00 0.00 176.35 177.18 2khs s MET 26 N -3.26 1.56 -0.24 1.70 -2.45 0.94 -0.17 119.30 117.37 2khs s MET 26 Ca 0.27 -1.30 -0.03 0.00 -1.25 0.00 0.00 55.69 53.38 2khs s MET 26 Cb -0.06 -2.72 0.02 0.00 1.25 0.00 0.00 34.83 33.32 2khs s MET 26 CO 0.13 -0.74 -0.04 1.52 1.05 0.00 0.00 175.02 176.94 2khs s TYR 27 N 1.24 3.04 -1.45 4.11 1.13 0.52 0.32 117.35 126.26 2khs s TYR 27 Ca 0.00 -1.35 -0.09 0.00 -1.41 0.00 0.00 57.07 54.23 2khs s TYR 27 Cb -0.19 -2.09 0.03 0.00 -1.10 0.00 0.00 41.96 38.61 2khs s TYR 27 CO -0.09 -0.67 0.91 1.63 -2.51 0.00 0.00 175.55 174.82 2khs n LYS 28 N 4.72 -6.18 -0.35 -3.49 5.02 -1.26 -1.48 118.16 115.14 2khs n LYS 28 Ca -0.17 0.78 0.00 0.00 -2.02 0.00 0.00 58.31 56.90 2khs n LYS 28 Cb 0.48 -5.72 0.00 0.00 -0.02 0.00 0.00 35.03 29.77 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 -1.73 0.79 3.27 0.72 0.00 -1.26 -5.03 105.19 101.94 2khs n GLY 29 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.59 2.58 -0.18 1.61 0.74 -0.55 -5.06 119.66 118.22 2khs s GLN 30 Ca 0.00 -1.39 -0.19 0.00 0.05 0.00 0.00 55.36 53.83 2khs s GLN 30 Cb 0.00 -3.68 -0.03 0.00 1.10 0.00 0.00 33.01 30.40 2khs s GLN 30 CO 0.00 -0.87 0.55 -1.25 -0.55 0.00 0.00 175.29 173.17 2khs s PRO 31 N 1.41 4.23 0.04 1.67 0.04 -1.26 -0.36 135.00 140.78 2khs s PRO 31 Ca 0.02 0.49 -0.02 0.00 0.04 0.00 0.00 61.00 61.53 2khs s PRO 31 Cb -0.22 -3.54 -0.03 0.00 0.04 0.00 0.00 34.50 30.76 2khs s PRO 31 CO 0.02 -0.11 0.01 -1.64 0.04 0.00 0.00 177.00 175.32 2khs s MET 32 N 1.50 0.54 -0.56 4.56 -1.94 0.76 -4.96 119.30 119.20 2khs s MET 32 Ca 0.26 -0.94 -0.21 0.00 -1.71 0.00 0.00 55.69 53.09 2khs s MET 32 Cb -0.16 0.20 0.06 0.00 2.01 0.00 0.00 34.83 36.94 2khs s MET 32 CO 0.10 -0.11 0.80 0.99 -0.01 0.00 0.00 175.02 176.79 2khs s THR 33 N -2.98 4.61 -0.21 2.05 2.01 -1.26 -0.99 115.64 118.87 2khs s THR 33 Ca -0.02 -0.29 -0.15 0.00 0.31 0.00 0.00 61.69 61.54 2khs s THR 33 Cb 0.01 -4.47 -0.04 0.00 0.01 0.00 0.00 72.50 68.01 2khs s THR 33 CO -0.06 -1.07 0.36 -0.36 -0.69 0.00 0.00 174.62 172.80 2khs s PHE 34 N 3.32 3.36 0.07 4.92 0.08 0.83 0.71 117.98 131.27 2khs s PHE 34 Ca 0.21 0.55 -0.07 0.00 0.12 0.00 0.00 56.93 57.73 2khs s PHE 34 Cb -0.17 -2.48 -0.05 0.00 -0.57 0.00 0.00 43.02 39.74 2khs s PHE 34 CO 0.13 0.00 0.35 1.03 -0.10 0.00 0.00 175.22 176.63 2khs s ARG 35 N 1.27 3.66 -0.13 0.44 1.81 0.14 -0.79 118.95 125.35 2khs s ARG 35 Ca 0.17 0.02 -0.27 0.00 -1.72 0.00 0.00 55.73 53.93 2khs s ARG 35 Cb -0.14 -2.99 -0.02 0.00 -0.45 0.00 0.00 34.95 31.35 2khs s ARG 35 CO 0.07 0.57 0.90 -0.51 -0.68 0.00 0.00 175.30 175.65 2khs s LEU 36 N -2.04 4.22 0.23 2.53 1.43 -1.26 -1.53 118.68 122.28 2khs s LEU 36 Ca 0.33 1.34 -0.30 0.00 -1.03 0.00 0.00 54.13 54.47 2khs s LEU 36 Cb -0.13 -3.36 -0.09 0.00 0.03 0.00 0.00 46.19 42.64 2khs s LEU 36 CO 0.19 -0.39 0.97 -0.76 0.23 0.00 0.00 176.35 176.59 2khs s LEU 37 N 1.92 4.62 -0.07 1.79 1.43 -0.86 -3.52 118.68 123.99 2khs s LEU 37 Ca 0.43 1.99 0.00 0.00 -1.03 0.00 0.00 54.13 55.52 2khs s LEU 37 Cb -0.18 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.43 2khs s LEU 37 CO 0.16 0.08 0.00 0.18 0.23 0.00 0.00 176.35 177.00 2khs n LEU 38 N 1.59 0.23 -4.08 1.79 4.77 -1.25 -4.83 117.00 115.22 2khs n LEU 38 Ca -0.01 0.02 -0.23 0.00 -0.03 0.00 0.00 56.01 55.75 2khs n LEU 38 Cb 0.47 -1.13 -0.16 0.00 -2.33 0.00 0.00 43.42 40.27 2khs n LEU 38 CO 0.51 -0.31 -0.47 -0.69 -1.33 0.00 0.00 177.39 175.09 2khs s VAL 39 N -1.74 1.14 -0.27 4.08 1.01 -1.23 -0.77 120.40 122.61 2khs s VAL 39 Ca 0.00 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.44 2khs s VAL 39 Cb 0.00 -0.98 0.07 0.00 0.00 0.00 0.00 36.38 35.47 2khs s VAL 39 CO 0.00 0.33 -0.06 -0.62 0.00 0.00 0.00 175.10 174.75 2khs s ASP 40 N 0.03 4.36 0.00 3.32 2.15 0.45 -4.71 116.67 122.27 2khs s ASP 40 Ca -0.02 -1.49 0.00 0.00 0.43 0.00 0.00 52.55 51.47 2khs s ASP 40 Cb -0.09 -1.46 0.00 0.00 -0.30 0.00 0.00 42.92 41.07 2khs s ASP 40 CO 0.01 -0.24 0.00 0.41 -0.17 0.00 0.00 175.17 175.18 2khs n THR 41 N 4.47 0.00 -1.10 1.71 -1.04 -1.26 -2.11 114.28 114.94 2khs n THR 41 Ca -0.10 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.58 2khs n THR 41 Cb 0.42 -1.31 0.13 0.00 -1.82 0.00 0.00 70.33 67.75 2khs n THR 41 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2khs s PRO 42 N -1.99 1.64 0.19 -2.82 0.02 -1.26 -4.81 135.00 125.96 2khs s PRO 42 Ca 0.00 1.66 0.00 0.00 0.02 0.00 0.00 61.00 62.68 2khs s PRO 42 Cb 0.00 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.73 2khs s PRO 42 CO 0.00 -2.19 0.00 0.39 -0.33 0.00 0.00 177.00 174.87 2khs n GLU 43 N -3.41 -1.38 -2.21 5.54 -0.58 -1.26 -5.04 120.64 112.30 2khs n GLU 43 Ca 0.13 0.97 -0.02 0.00 -0.42 0.00 0.00 57.16 57.82 2khs n GLU 43 Cb 0.51 -1.67 0.00 0.00 -0.57 0.00 0.00 31.44 29.72 2khs n GLU 43 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2khs n THR 44 N -2.87 -5.89 -0.12 2.62 -1.04 -1.26 -5.02 114.28 100.69 2khs n THR 44 Ca -0.01 0.13 -0.24 0.00 -2.04 0.00 0.00 64.05 61.89 2khs n THR 44 Cb 0.30 -5.36 -0.09 0.00 -1.82 0.00 0.00 70.33 63.36 2khs n THR 44 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 2khs n LYS 45 N -0.95 0.57 -3.23 -2.82 0.00 -1.26 -4.62 118.16 105.85 2khs n LYS 45 Ca 0.03 0.36 -0.21 0.00 -0.00 0.00 0.00 58.31 58.49 2khs n LYS 45 Cb 0.38 -1.57 0.01 0.00 -0.00 0.00 0.00 35.03 33.85 2khs n LYS 45 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2khs n HIS 46 N -4.35 -1.59 -1.82 5.58 8.25 -1.26 -2.52 115.22 117.52 2khs n HIS 46 Ca -0.41 0.66 -0.32 0.00 -0.26 0.00 0.00 57.72 57.39 2khs n HIS 46 Cb 0.75 -1.72 -0.04 0.00 1.12 0.00 0.00 29.99 30.10 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 -3.36 2.29 -0.06 -0.41 0.02 -1.26 -4.23 135.00 127.99 2khs s PRO 47 Ca 0.09 0.72 -0.02 0.00 0.02 0.00 0.00 61.00 61.81 2khs s PRO 47 Cb -0.01 -4.61 -0.03 0.00 0.02 0.00 0.00 34.50 29.86 2khs s PRO 47 CO 0.63 -3.26 -0.07 1.63 -0.33 0.00 0.00 177.00 175.61 2khs n LYS 48 N 9.03 0.14 -0.08 5.54 5.02 -1.26 -4.72 118.16 131.83 2khs n LYS 48 Ca 0.32 0.05 -0.14 0.00 -2.02 0.00 0.00 58.31 56.53 2khs n LYS 48 Cb 0.51 -0.89 -0.14 0.00 -0.02 0.00 0.00 35.03 34.49 2khs n LYS 48 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2khs n LYS 49 N -3.04 0.68 0.00 1.97 4.76 -1.26 -5.00 118.16 116.27 2khs n LYS 49 Ca -0.12 0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 2khs n LYS 49 Cb 0.60 -1.59 0.00 0.00 -1.84 0.00 0.00 35.03 32.20 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 1.91 0.23 2.63 0.72 0.00 -1.26 -4.99 105.19 104.44 2khs n GLY 50 Ca -0.34 -0.28 -0.00 0.00 0.00 0.00 0.00 46.02 45.39 2khs n GLY 50 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2khs n VAL 51 N 0.00-11.30 -0.04 1.61 0.31 -1.24 -4.73 118.33 102.95 2khs n VAL 51 Ca 0.00 1.68 0.14 0.00 -0.01 0.00 0.00 64.34 66.15 2khs n VAL 51 Cb 0.00 -6.75 0.56 0.00 -0.91 0.00 0.00 33.84 26.75 2khs n VAL 51 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2khs h GLU 52 N 2.78 0.26 0.00 5.55 4.39 -1.66 0.06 114.58 125.96 2khs h GLU 52 Ca 0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2khs h GLU 52 Cb 0.05 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2khs h GLU 52 CO 0.10 0.17 -0.35 0.36 -1.16 0.00 0.00 179.01 178.12 2khs n LYS 53 N -4.45 0.18 -1.81 2.33 2.85 -1.26 -5.00 118.16 111.00 2khs n LYS 53 Ca 0.09 0.08 -0.00 0.00 -1.05 0.00 0.00 58.31 57.43 2khs n LYS 53 Cb 0.42 -1.65 -0.00 0.00 -0.65 0.00 0.00 35.03 33.15 2khs n LYS 53 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2khs n TYR 54 N -1.93 -1.05 0.17 5.58 4.01 0.01 -4.83 117.16 119.12 2khs n TYR 54 Ca 0.05 0.50 -0.10 0.00 -0.16 0.00 0.00 57.90 58.19 2khs n TYR 54 Cb 0.40 -2.14 -0.05 0.00 -0.31 0.00 0.00 39.34 37.24 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 0.83 -0.53 -0.39 2.72 0.00 -1.87 -2.88 103.07 100.96 2khs h GLY 55 Ca -0.03 0.19 0.09 0.00 0.00 0.00 0.00 47.33 47.59 2khs h GLY 55 CO 0.02 -0.19 -0.36 -0.56 0.00 0.00 0.00 176.54 175.45 2khs h PRO 56 N -1.08 -0.19 -0.34 4.80 0.13 -1.96 -1.03 132.00 132.33 2khs h PRO 56 Ca -0.05 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2khs h PRO 56 Cb 0.47 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.62 2khs h PRO 56 CO 0.08 -0.13 0.22 0.93 -0.23 0.00 0.00 178.00 178.87 2khs h GLU 57 N -0.20 0.45 -0.48 0.86 4.39 -1.96 0.29 114.58 117.93 2khs h GLU 57 Ca 0.21 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.86 2khs h GLU 57 Cb 0.55 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 2khs h GLU 57 CO -0.65 0.31 0.24 0.00 -1.16 0.00 0.00 179.01 177.75 2khs h ALA 58 N 1.11 0.61 -0.23 3.43 0.00 -1.24 0.97 119.26 123.91 2khs h ALA 58 Ca 0.12 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2khs h ALA 58 Cb -0.03 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 2khs h ALA 58 CO -0.03 0.16 -0.17 0.77 0.00 0.00 0.00 179.25 179.98 2khs h SER 59 N 0.63 0.55 -0.57 0.00 0.02 -0.96 -2.63 113.55 110.60 2khs h SER 59 Ca 0.17 -0.45 -0.07 0.00 -0.84 0.00 0.00 61.79 60.60 2khs h SER 59 Cb 0.09 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 2khs h SER 59 CO -0.02 0.88 0.09 0.00 -1.14 0.00 0.00 176.83 176.64 2khs h ALA 60 N 0.69 0.76 -0.64 3.77 0.00 -0.25 -2.11 119.26 121.47 2khs h ALA 60 Ca 0.04 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.71 2khs h ALA 60 Cb 0.70 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2khs h ALA 60 CO 0.05 0.51 0.42 0.35 0.00 0.00 0.00 179.25 180.57 2khs h PHE 61 N 0.84 0.80 0.10 0.00 3.04 -0.78 0.14 116.94 121.07 2khs h PHE 61 Ca 0.17 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.14 2khs h PHE 61 Cb 0.42 -0.27 0.00 0.00 2.56 0.00 0.00 35.95 38.66 2khs h PHE 61 CO 0.03 0.50 -0.05 1.15 -2.02 0.00 0.00 178.31 177.93 2khs h THR 62 N 0.86 0.93 -0.48 4.41 2.02 -1.22 -1.20 112.91 118.23 2khs h THR 62 Ca 0.23 -0.08 -0.07 0.00 0.77 0.00 0.00 66.41 67.27 2khs h THR 62 Cb -0.10 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 2khs h THR 62 CO -0.05 0.02 0.03 0.07 0.37 0.00 0.00 175.52 175.96 2khs h LYS 63 N -0.17 0.78 -0.42 6.66 5.09 -1.05 -0.69 116.57 126.78 2khs h LYS 63 Ca -0.01 -0.19 0.04 0.00 0.09 0.00 0.00 60.65 60.58 2khs h LYS 63 Cb 0.13 -0.10 -0.04 0.00 0.10 0.00 0.00 32.23 32.32 2khs h LYS 63 CO 0.02 0.77 0.18 0.87 -2.09 0.00 0.00 179.45 179.20 2khs h LYS 64 N 0.74 0.36 0.11 0.07 1.57 -0.48 -0.34 116.57 118.59 2khs h LYS 64 Ca 0.15 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 2khs h LYS 64 Cb 0.40 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2khs h LYS 64 CO 0.01 0.24 -0.05 0.52 -0.57 0.00 0.00 179.45 179.60 2khs h MET 65 N 0.37 -0.14 -0.02 3.15 2.86 -0.63 -2.52 114.93 118.00 2khs h MET 65 Ca 0.19 0.01 -0.17 0.00 -2.06 0.00 0.00 59.70 57.67 2khs h MET 65 Cb 0.14 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 2khs h MET 65 CO -0.17 0.15 -0.74 -0.39 1.06 0.00 0.00 176.91 176.82 2khs h VAL 66 N -0.43 1.48 0.00 -2.22 -1.51 -1.07 -0.60 116.25 111.90 2khs h VAL 66 Ca -0.02 -2.40 -0.18 0.00 -1.23 0.00 0.00 66.70 62.88 2khs h VAL 66 Cb 0.35 2.30 -0.03 0.00 -2.13 0.00 0.00 31.29 31.78 2khs h VAL 66 CO 0.02 0.70 -0.91 -0.33 -1.23 0.00 0.00 177.57 175.82 2khs h GLU 67 N 0.08 0.00 0.00 5.19 5.08 -1.14 -3.22 114.58 120.58 2khs h GLU 67 Ca -0.02 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.21 2khs h GLU 67 Cb 1.31 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.54 2khs h GLU 67 CO 0.11 0.78 -0.72 -0.97 -1.00 0.00 0.00 179.01 177.20 2khs h ASN 68 N 0.00 0.00 -3.89 1.42 -0.73 -1.40 -3.47 115.58 107.51 2khs h ASN 68 Ca -0.03 0.00 -0.56 0.00 1.87 0.00 0.00 56.30 57.58 2khs h ASN 68 Cb 1.65 0.00 0.14 0.00 0.27 0.00 0.00 38.32 40.38 2khs h ASN 68 CO 0.10 0.56 0.54 0.00 -0.37 0.00 0.00 177.43 178.25 2khs n ALA 69 N -2.27 1.40 0.12 1.57 0.00 -0.24 -4.92 120.51 116.17 2khs n ALA 69 Ca -0.00 0.14 -0.20 0.00 0.00 0.00 0.00 53.44 53.38 2khs n ALA 69 Cb 0.77 -2.32 -0.14 0.00 0.00 0.00 0.00 19.45 17.77 2khs n ALA 69 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2khs h LYS 70 N 1.47 0.42 -4.80 0.00 6.56 -1.89 -3.45 116.57 114.87 2khs h LYS 70 Ca -0.50 -0.67 -0.36 0.00 -1.06 0.00 0.00 60.65 58.06 2khs h LYS 70 Cb 1.31 0.24 -0.25 0.00 -0.57 0.00 0.00 32.23 32.96 2khs h LYS 70 CO 0.57 1.31 -0.76 0.15 -2.06 0.00 0.00 179.45 178.66 2khs s LYS 71 N -2.72 0.67 -0.20 3.15 1.02 -1.26 -4.99 119.74 115.40 2khs s LYS 71 Ca -0.06 -0.60 -0.00 0.00 0.02 0.00 0.00 55.97 55.32 2khs s LYS 71 Cb 0.06 -0.59 0.02 0.00 -0.52 0.00 0.00 37.83 36.80 2khs s LYS 71 CO 0.91 0.14 -0.14 0.42 -0.92 0.00 0.00 175.35 175.76 2khs s ILE 72 N -0.82 2.48 -0.03 2.17 1.09 -1.25 0.12 121.20 124.96 2khs s ILE 72 Ca -0.02 -0.91 0.03 0.00 -1.10 0.00 0.00 60.65 58.65 2khs s ILE 72 Cb -0.07 -2.13 -0.03 0.00 -1.06 0.00 0.00 42.46 39.17 2khs s ILE 72 CO 0.01 0.42 -0.11 -1.61 -0.10 0.00 0.00 174.94 173.54 2khs s GLU 73 N 1.32 2.52 -0.18 2.79 2.02 0.59 0.60 118.70 128.37 2khs s GLU 73 Ca 0.03 -0.70 -0.02 0.00 0.02 0.00 0.00 54.97 54.31 2khs s GLU 73 Cb -0.14 -2.43 -0.01 0.00 0.10 0.00 0.00 34.13 31.64 2khs s GLU 73 CO -0.09 0.62 -0.08 0.14 0.02 0.00 0.00 175.26 175.87 2khs s VAL 74 N -0.82 3.26 -0.28 2.63 -7.23 0.80 -0.02 120.40 118.74 2khs s VAL 74 Ca 0.13 -0.56 -0.06 0.00 -1.81 0.00 0.00 61.98 59.69 2khs s VAL 74 Cb -0.11 -2.44 0.01 0.00 0.56 0.00 0.00 36.38 34.41 2khs s VAL 74 CO 0.03 0.47 0.04 -0.70 -0.31 0.00 0.00 175.10 174.63 2khs s GLU 75 N 0.95 3.10 -0.12 4.82 2.12 0.38 -0.74 118.70 129.21 2khs s GLU 75 Ca -0.01 -0.84 -0.22 0.00 0.36 0.00 0.00 54.97 54.26 2khs s GLU 75 Cb -0.15 -3.27 -0.03 0.00 0.26 0.00 0.00 34.13 30.94 2khs s GLU 75 CO -0.00 -0.40 0.66 -0.59 -0.54 0.00 0.00 175.26 174.38 2khs s PHE 76 N 1.47 3.49 0.44 5.30 -0.71 -1.17 -0.16 117.98 126.65 2khs s PHE 76 Ca 0.03 1.10 0.03 0.00 -1.04 0.00 0.00 56.93 57.05 2khs s PHE 76 Cb -0.17 -2.78 0.00 0.00 -1.21 0.00 0.00 43.02 38.86 2khs s PHE 76 CO 0.01 -0.01 0.63 0.34 -1.34 0.00 0.00 175.22 174.85 2khs s ASP 77 N 0.92 5.73 0.57 1.98 2.15 -1.26 -4.54 116.67 122.23 2khs s ASP 77 Ca 0.33 0.02 0.31 0.00 0.43 0.00 0.00 52.55 53.64 2khs s ASP 77 Cb -0.17 -1.22 1.76 0.00 -0.30 0.00 0.00 42.92 43.00 2khs s ASP 77 CO 0.14 -0.73 2.19 0.11 -0.17 0.00 0.00 175.17 176.71 2khs h LYS 78 N 0.49 0.00 0.00 4.34 1.57 -1.97 -3.36 116.57 117.63 2khs h LYS 78 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 2khs h LYS 78 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 2khs h LYS 78 CO 0.54 0.05 0.00 0.41 -0.57 0.00 0.00 179.45 179.87 2khs n GLY 79 N -0.98 -2.63 3.25 3.86 0.00 -1.26 -4.93 105.19 102.49 2khs n GLY 79 Ca -0.02 0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.59 0.67 0.01 1.61 -0.21 -1.26 -5.03 119.66 114.86 2khs s GLN 80 Ca 0.00 -0.15 -0.01 0.00 0.02 0.00 0.00 55.36 55.22 2khs s GLN 80 Cb 0.00 0.30 -0.27 0.00 1.00 0.00 0.00 33.01 34.04 2khs s GLN 80 CO 0.00 -0.18 0.88 0.00 -2.12 0.00 0.00 175.29 173.87 2khs h ARG 81 N 3.90 0.20 -3.50 2.91 -0.00 -1.83 -3.39 114.38 112.67 2khs h ARG 81 Ca -0.29 -0.34 -0.15 0.00 -0.50 0.00 0.00 59.98 58.69 2khs h ARG 81 Cb 1.18 0.13 -0.22 0.00 0.00 0.00 0.00 29.97 31.06 2khs h ARG 81 CO 0.40 1.05 -0.51 0.95 0.00 0.00 0.00 179.97 181.86 2khs s THR 82 N -2.63 0.07 0.23 2.04 -4.23 -1.26 -0.20 115.64 109.67 2khs s THR 82 Ca -0.08 -0.58 0.08 0.00 -1.18 0.00 0.00 61.69 59.93 2khs s THR 82 Cb 0.07 -0.39 -0.04 0.00 1.34 0.00 0.00 72.50 73.48 2khs s THR 82 CO 0.85 -0.32 0.04 -0.62 -0.54 0.00 0.00 174.62 174.03 2khs s ASP 83 N -1.14 4.84 0.43 3.99 2.15 0.10 -4.89 116.67 122.16 2khs s ASP 83 Ca -0.12 -0.48 0.30 0.00 0.43 0.00 0.00 52.55 52.68 2khs s ASP 83 Cb -0.07 -1.03 1.50 0.00 -0.30 0.00 0.00 42.92 43.03 2khs s ASP 83 CO 0.01 0.02 1.91 0.50 -0.17 0.00 0.00 175.17 177.44 2khs h LYS 84 N 2.06 0.00 0.00 4.34 3.64 -2.02 -0.37 116.57 124.21 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 1.23 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2khs h LYS 84 CO 0.60 0.00 -0.01 -0.92 -2.27 0.00 0.00 179.45 176.84 2khs h TYR 85 N 0.00 0.00 0.00 1.91 3.20 -2.03 -3.45 116.97 116.59 2khs h TYR 85 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2khs h TYR 85 Cb 0.15 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.42 2khs h TYR 85 CO 0.00 0.01 0.00 0.41 -1.64 0.00 0.00 178.16 176.94 2khs n GLY 86 N -0.52 1.54 3.27 1.82 0.00 -0.15 -5.10 105.19 106.04 2khs n GLY 86 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 2khs n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2khs s ARG 87 N -0.41 1.12 0.48 1.61 0.52 -1.21 -4.80 118.95 116.25 2khs s ARG 87 Ca 0.00 -1.45 -0.04 0.00 -0.52 0.00 0.00 55.73 53.72 2khs s ARG 87 Cb 0.00 -0.78 -0.03 0.00 0.52 0.00 0.00 34.95 34.66 2khs s ARG 87 CO 0.00 0.12 0.76 0.20 0.02 0.00 0.00 175.30 176.40 2khs s GLY 88 N -3.10 1.50 -0.13 -3.53 0.00 0.22 0.01 107.32 102.29 2khs s GLY 88 Ca 0.17 -0.64 -0.01 0.00 0.00 0.00 0.00 44.72 44.25 2khs s GLY 88 CO 0.02 -0.47 -0.06 1.08 0.00 0.00 0.00 173.10 173.68 2khs s LEU 89 N -4.71 1.23 0.24 0.66 1.43 0.73 0.25 118.68 118.50 2khs s LEU 89 Ca 0.48 -0.39 -0.17 0.00 -1.03 0.00 0.00 54.13 53.01 2khs s LEU 89 Cb -0.10 -0.81 0.02 0.00 0.03 0.00 0.00 46.19 45.33 2khs s LEU 89 CO 0.43 -0.15 0.58 0.00 0.23 0.00 0.00 176.35 177.44 2khs s ALA 90 N 1.72 -0.85 -0.21 4.21 0.00 -0.58 -4.51 121.76 121.54 2khs s ALA 90 Ca 0.04 -0.43 -0.12 0.00 0.00 0.00 0.00 51.96 51.44 2khs s ALA 90 Cb -0.13 0.92 -0.05 0.00 0.00 0.00 0.00 23.12 23.86 2khs s ALA 90 CO -0.08 -0.90 0.25 -0.47 0.00 0.00 0.00 175.76 174.56 2khs s TYR 91 N -3.93 3.37 -0.20 0.00 6.14 0.78 -2.02 117.35 121.48 2khs s TYR 91 Ca 0.14 0.41 -0.10 0.00 0.64 0.00 0.00 57.07 58.15 2khs s TYR 91 Cb -0.03 -2.34 -0.05 0.00 0.42 0.00 0.00 41.96 39.96 2khs s TYR 91 CO 0.04 0.10 0.14 0.42 0.64 0.00 0.00 175.55 176.88 2khs s ILE 92 N 0.96 5.41 0.02 3.14 -1.09 -1.26 -0.47 121.20 127.90 2khs s ILE 92 Ca 0.12 0.20 0.04 0.00 -2.23 0.00 0.00 60.65 58.78 2khs s ILE 92 Cb -0.13 -3.48 -0.04 0.00 -1.58 0.00 0.00 42.46 37.23 2khs s ILE 92 CO 0.05 0.44 -0.06 -0.31 -1.23 0.00 0.00 174.94 173.82 2khs s TYR 93 N 0.37 2.90 -0.46 3.97 1.51 0.97 -2.15 117.35 124.46 2khs s TYR 93 Ca 0.08 -0.04 -0.07 0.00 -1.01 0.00 0.00 57.07 56.04 2khs s TYR 93 Cb -0.11 -1.59 0.12 0.00 -0.11 0.00 0.00 41.96 40.27 2khs s TYR 93 CO -0.02 0.40 0.30 0.00 -1.11 0.00 0.00 175.55 175.12 2khs s ALA 94 N -1.05 3.33 -1.28 3.71 0.00 0.14 -0.30 121.76 126.30 2khs s ALA 94 Ca 0.18 -2.59 -0.24 0.00 0.00 0.00 0.00 51.96 49.31 2khs s ALA 94 Cb -0.11 -2.67 0.03 0.00 0.00 0.00 0.00 23.12 20.36 2khs s ALA 94 CO 0.09 -1.88 0.55 -0.40 0.00 0.00 0.00 175.76 174.12 2khs n ASP 95 N 4.70 -3.07 0.00 0.00 5.68 0.12 -0.77 116.55 123.20 2khs n ASP 95 Ca -0.05 -1.24 0.00 0.00 -0.50 0.00 0.00 54.79 53.00 2khs n ASP 95 Cb 0.41 -1.97 0.00 0.00 -1.14 0.00 0.00 41.12 38.42 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 -2.13 2.98 3.86 6.12 0.00 -1.26 -4.98 105.19 109.78 2khs n GLY 96 Ca -0.16 0.00 -0.34 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 -0.58 3.90 -0.47 1.61 1.02 0.05 -5.03 119.74 120.23 2khs s LYS 97 Ca 0.00 0.39 -0.20 0.00 0.02 0.00 0.00 55.97 56.18 2khs s LYS 97 Cb 0.00 -2.79 0.04 0.00 -0.52 0.00 0.00 37.83 34.56 2khs s LYS 97 CO 0.00 0.40 0.65 -1.64 -0.92 0.00 0.00 175.35 173.84 2khs s MET 98 N -2.37 3.22 0.13 1.68 -1.94 -1.26 0.25 119.30 119.00 2khs s MET 98 Ca 0.42 -0.56 -0.13 0.00 -1.71 0.00 0.00 55.69 53.71 2khs s MET 98 Cb -0.13 -4.01 -0.03 0.00 2.01 0.00 0.00 34.83 32.67 2khs s MET 98 CO 0.20 -1.12 1.53 0.28 -0.01 0.00 0.00 175.02 175.90 2khs h VAL 99 N 5.88 1.28 -0.36 -6.03 2.07 -1.78 -1.61 116.25 115.69 2khs h VAL 99 Ca -0.26 -1.23 0.07 0.00 0.82 0.00 0.00 66.70 66.10 2khs h VAL 99 Cb 1.09 1.23 -0.06 0.00 -1.52 0.00 0.00 31.29 32.04 2khs h VAL 99 CO 0.93 0.41 -0.01 0.78 0.02 0.00 0.00 177.57 179.70 2khs h ASN 100 N 0.60 -0.16 0.14 0.57 4.21 -1.91 -0.49 115.58 118.54 2khs h ASN 100 Ca 0.10 0.09 0.02 0.00 1.21 0.00 0.00 56.30 57.71 2khs h ASN 100 Cb 0.66 0.15 -0.04 0.00 -1.12 0.00 0.00 38.32 37.97 2khs h ASN 100 CO 0.04 -0.05 -0.35 -0.08 -1.29 0.00 0.00 177.43 175.71 2khs h GLU 101 N 0.09 -0.57 -0.92 0.81 4.57 -1.88 -2.46 114.58 114.22 2khs h GLU 101 Ca 0.18 0.04 0.09 0.00 -1.18 0.00 0.00 59.36 58.48 2khs h GLU 101 Cb 0.25 0.13 -0.07 0.00 -0.16 0.00 0.00 28.75 28.89 2khs h GLU 101 CO -0.30 -0.38 0.57 0.00 -1.18 0.00 0.00 179.01 177.72 2khs h ALA 102 N 0.01 1.32 -0.24 2.92 0.00 -0.62 0.30 119.26 122.96 2khs h ALA 102 Ca 0.02 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2khs h ALA 102 Cb 0.61 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2khs h ALA 102 CO -0.19 0.24 0.04 -0.07 0.00 0.00 0.00 179.25 179.28 2khs h LEU 103 N 0.97 0.37 -0.27 0.00 3.38 -0.96 -1.38 115.31 117.42 2khs h LEU 103 Ca 0.43 -0.25 -0.21 0.00 0.09 0.00 0.00 57.88 57.94 2khs h LEU 103 Cb 0.32 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2khs h LEU 103 CO -0.22 0.53 -0.73 0.58 0.09 0.00 0.00 178.44 178.69 2khs h VAL 104 N 0.20 1.31 -0.33 1.22 2.07 -0.92 0.27 116.25 120.07 2khs h VAL 104 Ca 0.07 -1.99 -0.07 0.00 0.82 0.00 0.00 66.70 65.53 2khs h VAL 104 Cb 0.31 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 2khs h VAL 104 CO 0.00 0.62 -0.09 -0.09 0.02 0.00 0.00 177.57 178.04 2khs h ARG 105 N 0.47 0.55 -0.00 1.57 9.65 -0.39 -0.74 114.38 125.48 2khs h ARG 105 Ca -0.04 -0.15 0.00 0.00 -1.10 0.00 0.00 59.98 58.69 2khs h ARG 105 Cb 1.34 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.86 2khs h ARG 105 CO 0.14 0.64 -0.08 1.04 2.80 0.00 0.00 179.97 184.51 2khs n GLN 106 N -4.21 0.88 -2.87 0.20 1.13 -0.53 -4.92 117.38 107.07 2khs n GLN 106 Ca 0.01 -0.32 -0.11 0.00 -1.94 0.00 0.00 57.00 54.64 2khs n GLN 106 Cb 0.31 -1.49 0.03 0.00 0.11 0.00 0.00 30.24 29.20 2khs n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2khs n GLY 107 N 1.22 0.21 0.00 1.08 0.00 -0.29 -4.91 105.19 102.51 2khs n GLY 107 Ca 0.16 -0.28 0.08 0.00 0.00 0.00 0.00 46.02 45.98 2khs n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2khs n LEU 108 N -2.40 0.74 -4.02 0.99 4.77 0.91 -4.99 117.00 113.00 2khs n LEU 108 Ca -0.02 -0.45 -0.09 0.00 -0.03 0.00 0.00 56.01 55.41 2khs n LEU 108 Cb 0.54 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.57 2khs n LEU 108 CO 0.27 0.18 0.12 0.00 -1.33 0.00 0.00 177.39 176.64 2khs s ALA 109 N -2.68 -0.05 0.23 -1.18 0.00 -1.04 -4.79 121.76 112.25 2khs s ALA 109 Ca 0.05 -0.99 0.10 0.00 0.00 0.00 0.00 51.96 51.13 2khs s ALA 109 Cb 0.13 1.11 -0.05 0.00 0.00 0.00 0.00 23.12 24.31 2khs s ALA 109 CO 0.71 -0.82 -0.18 0.15 0.00 0.00 0.00 175.76 175.62 2khs s LYS 110 N -4.04 1.48 -0.15 0.00 1.02 -0.90 -4.35 119.74 112.80 2khs s LYS 110 Ca 0.25 -1.64 -0.26 0.00 0.02 0.00 0.00 55.97 54.34 2khs s LYS 110 Cb 0.00 -1.46 -0.02 0.00 -0.52 0.00 0.00 37.83 35.83 2khs s LYS 110 CO 0.09 0.27 0.85 0.54 -0.92 0.00 0.00 175.35 176.19 2khs s VAL 111 N -2.58 4.87 -0.26 3.17 0.11 -1.26 -0.41 120.40 124.05 2khs s VAL 111 Ca 0.25 1.69 -0.10 0.00 -2.93 0.00 0.00 61.98 60.89 2khs s VAL 111 Cb -0.04 -4.16 -0.05 0.00 -1.53 0.00 0.00 36.38 30.61 2khs s VAL 111 CO 0.10 0.03 0.15 0.00 -3.33 0.00 0.00 175.10 172.06 2khs s ALA 112 N 2.06 3.48 -0.33 1.54 0.00 0.05 -4.88 121.76 123.68 2khs s ALA 112 Ca 0.40 -1.03 -0.16 0.00 0.00 0.00 0.00 51.96 51.17 2khs s ALA 112 Cb -0.17 -2.34 -0.01 0.00 0.00 0.00 0.00 23.12 20.60 2khs s ALA 112 CO 0.13 -0.41 0.41 0.71 0.00 0.00 0.00 175.76 176.60 2khs s TYR 113 N 1.48 3.21 -0.28 0.00 2.02 -1.26 -3.93 117.35 118.58 2khs s TYR 113 Ca 0.07 0.13 0.02 0.00 -0.37 0.00 0.00 57.07 56.91 2khs s TYR 113 Cb -0.15 -2.72 0.08 0.00 -0.40 0.00 0.00 41.96 38.77 2khs s TYR 113 CO 0.07 -0.42 -0.01 0.08 -1.57 0.00 0.00 175.55 173.70 2khs s VAL 114 N 2.14 1.76 -0.78 0.71 1.01 -1.26 -4.99 120.40 118.99 2khs s VAL 114 Ca 0.14 -1.64 -0.02 0.00 0.00 0.00 0.00 61.98 60.46 2khs s VAL 114 Cb -0.16 -2.11 0.37 0.00 0.00 0.00 0.00 36.38 34.47 2khs s VAL 114 CO 0.12 -0.32 2.06 -1.22 0.00 0.00 0.00 175.10 175.74 2khs n TYR 115 N 4.54 2.99 -1.03 5.22 4.02 -1.26 -4.94 117.16 126.70 2khs n TYR 115 Ca -0.06 -2.52 0.00 0.00 -0.01 0.00 0.00 57.90 55.31 2khs n TYR 115 Cb 0.43 -1.27 0.00 0.00 -0.02 0.00 0.00 39.34 38.47 2khs n TYR 115 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2khs n LYS 116 N -0.60 -2.91 0.24 -0.72 4.76 -1.26 -4.26 118.16 113.42 2khs n LYS 116 Ca 0.56 2.13 0.16 0.00 -2.87 0.00 0.00 58.31 58.30 2khs n LYS 116 Cb 0.37 -2.37 0.87 0.00 -1.84 0.00 0.00 35.03 32.06 2khs n LYS 116 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 2khs h PRO 117 N 1.39 0.00 -0.06 1.97 0.13 -1.97 0.16 132.00 133.63 2khs h PRO 117 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2khs h PRO 117 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2khs h PRO 117 CO 0.00 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.86 2khs n ASN 118 N -2.62 0.62 0.13 1.44 3.02 -1.26 -3.10 115.26 113.50 2khs n ASN 118 Ca -0.02 -1.51 0.01 0.00 -0.03 0.00 0.00 54.58 53.03 2khs n ASN 118 Cb 0.06 -0.04 0.04 0.00 -0.61 0.00 0.00 39.78 39.23 2khs n ASN 118 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2khs h ASN 119 N 0.84 0.00 -3.80 6.41 -1.07 -1.13 -3.47 115.58 113.35 2khs h ASN 119 Ca 0.00 0.00 -0.27 0.00 0.07 0.00 0.00 56.30 56.10 2khs h ASN 119 Cb 0.18 0.00 0.07 0.00 -2.07 0.00 0.00 38.32 36.51 2khs h ASN 119 CO 0.00 0.57 -0.43 0.41 0.07 0.00 0.00 177.43 178.05 2khs n THR 120 N -3.29 -1.74 -1.39 6.14 -1.04 -1.18 -5.14 114.28 106.64 2khs n THR 120 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 2khs n THR 120 Cb 0.74 -2.97 0.00 0.00 -1.82 0.00 0.00 70.33 66.28 2khs n THR 120 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00