#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kit n LYS 2 N 0.00 -1.89 0.00 0.03 5.02 -1.26 -4.49 118.16 115.56 3kit n LYS 2 Ca 0.00 -0.75 0.00 0.00 -2.02 0.00 0.00 58.31 55.54 3kit n LYS 2 Cb 0.00 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 3kit n LYS 2 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kit n GLY 3 N -1.95 3.24 3.05 0.72 0.00 -1.26 -4.08 105.19 104.91 3kit n GLY 3 Ca 0.07 0.01 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 3kit n GLY 3 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kit s ILE 4 N -0.14 0.27 0.51 -0.61 2.07 -0.80 -4.97 121.20 117.53 3kit s ILE 4 Ca 0.00 -1.35 -0.08 0.00 -1.41 0.00 0.00 60.65 57.81 3kit s ILE 4 Cb 0.00 -0.88 -0.04 0.00 0.13 0.00 0.00 42.46 41.66 3kit s ILE 4 CO 0.00 -0.69 0.86 -0.76 -1.91 0.00 0.00 174.94 172.44 3kit s LEU 5 N -2.13 3.54 0.00 8.50 1.43 -1.26 -0.42 118.68 128.33 3kit s LEU 5 Ca -0.04 1.13 0.00 0.00 -1.03 0.00 0.00 54.13 54.18 3kit s LEU 5 Cb -0.02 -4.10 0.00 0.00 0.03 0.00 0.00 46.19 42.10 3kit s LEU 5 CO -0.04 -0.64 0.00 0.61 0.23 0.00 0.00 176.35 176.51 3kit n GLY 6 N -2.25 1.90 3.30 -3.19 0.00 0.19 -4.43 105.19 100.71 3kit n GLY 6 Ca 0.03 -0.99 -0.08 0.00 0.00 0.00 0.00 46.02 44.97 3kit n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kit s VAL 7 N -2.93 -0.54 0.08 1.61 0.11 -0.35 -1.80 120.40 116.58 3kit s VAL 7 Ca 0.00 0.14 -0.31 0.00 -2.93 0.00 0.00 61.98 58.88 3kit s VAL 7 Cb 0.00 -0.69 -0.10 0.00 -1.53 0.00 0.00 36.38 34.06 3kit s VAL 7 CO 0.00 0.06 1.88 1.17 -3.33 0.00 0.00 175.10 174.87 3kit n LYS 8 N 5.15 2.75 -0.09 1.54 4.81 -0.39 -1.75 118.16 130.17 3kit n LYS 8 Ca -0.12 1.00 -0.10 0.00 -0.87 0.00 0.00 58.31 58.23 3kit n LYS 8 Cb 0.51 -2.91 -0.16 0.00 0.02 0.00 0.00 35.03 32.49 3kit n LYS 8 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 3kit n VAL 9 N 4.96 1.41 0.00 3.15 0.24 0.32 0.10 118.33 128.51 3kit n VAL 9 Ca 0.19 -0.85 0.00 0.00 -2.04 0.00 0.00 64.34 61.64 3kit n VAL 9 Cb 0.37 -0.51 0.00 0.00 -1.47 0.00 0.00 33.84 32.24 3kit n VAL 9 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kit n GLY 10 N 1.74 0.93 3.14 7.63 0.00 -1.22 -4.68 105.19 112.72 3kit n GLY 10 Ca -0.32 -1.76 -0.08 0.00 0.00 0.00 0.00 46.02 43.86 3kit n GLY 10 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3kit s MET 11 N -1.37 0.76 0.19 1.61 0.23 -1.26 -0.73 119.30 118.73 3kit s MET 11 Ca 0.00 -1.25 -0.08 0.00 -1.03 0.00 0.00 55.69 53.33 3kit s MET 11 Cb 0.00 0.24 0.03 0.00 -1.53 0.00 0.00 34.83 33.58 3kit s MET 11 CO 0.00 -0.19 0.43 0.25 -2.03 0.00 0.00 175.02 173.48 3kit n THR 12 N 0.01 0.00 -4.44 3.16 -2.24 -0.86 -5.00 114.28 104.91 3kit n THR 12 Ca -0.11 -0.49 -0.23 0.00 -2.27 0.00 0.00 64.05 60.96 3kit n THR 12 Cb 0.62 0.50 -0.10 0.00 -2.10 0.00 0.00 70.33 69.25 3kit n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kit s ARG 13 N -2.04 1.59 0.00 -0.78 1.70 -1.26 -0.72 118.95 117.43 3kit s ARG 13 Ca 0.09 -1.73 0.00 0.00 -0.47 0.00 0.00 55.73 53.61 3kit s ARG 13 Cb -0.02 -1.56 0.00 0.00 -0.57 0.00 0.00 34.95 32.80 3kit s ARG 13 CO 0.06 0.26 0.00 0.44 -1.08 0.00 0.00 175.30 174.98 3kit n ILE 14 N -0.57 0.00 -4.15 4.99 -5.35 -0.69 -4.92 119.36 108.68 3kit n ILE 14 Ca -0.06 0.00 -0.19 0.00 -0.27 0.00 0.00 62.75 62.23 3kit n ILE 14 Cb 0.61 0.00 -0.16 0.00 -1.74 0.00 0.00 39.64 38.34 3kit n ILE 14 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3kit s PHE 15 N -1.28 0.70 -0.09 4.28 0.08 -1.26 -0.95 117.98 119.45 3kit s PHE 15 Ca 0.00 -0.18 0.02 0.00 0.12 0.00 0.00 56.93 56.89 3kit s PHE 15 Cb 0.00 -0.63 0.01 0.00 -0.57 0.00 0.00 43.02 41.83 3kit s PHE 15 CO 0.00 -0.18 -0.16 1.03 -0.10 0.00 0.00 175.22 175.81 3kit s ARG 16 N 0.88 2.21 4.74 0.44 0.52 -0.91 -4.94 118.95 121.88 3kit s ARG 16 Ca -0.12 -0.57 0.00 0.00 -0.52 0.00 0.00 55.73 54.52 3kit s ARG 16 Cb -0.14 -1.81 0.00 0.00 0.52 0.00 0.00 34.95 33.52 3kit s ARG 16 CO 0.00 0.01 0.00 -0.25 0.02 0.00 0.00 175.30 175.08 3kit n ASP 17 N 3.95 0.00 -2.72 0.23 10.43 -1.26 -2.24 116.55 124.95 3kit n ASP 17 Ca -0.20 0.00 -0.01 0.00 2.57 0.00 0.00 54.79 57.15 3kit n ASP 17 Cb 0.52 0.00 0.05 0.00 1.84 0.00 0.00 41.12 43.52 3kit n ASP 17 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3kit n ASP 18 N 9.15 1.70 -3.79 -2.24 8.00 -1.26 -5.09 116.55 123.02 3kit n ASP 18 Ca 0.00 -2.11 -0.13 0.00 0.71 0.00 0.00 54.79 53.27 3kit n ASP 18 Cb 0.00 -0.46 -0.11 0.00 -0.02 0.00 0.00 41.12 40.53 3kit n ASP 18 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kit s ARG 19 N -3.58 0.40 0.17 -1.24 1.70 -0.95 -5.14 118.95 110.31 3kit s ARG 19 Ca 0.29 0.15 -0.30 0.00 -0.47 0.00 0.00 55.73 55.40 3kit s ARG 19 Cb 0.33 0.18 -0.07 0.00 -0.57 0.00 0.00 34.95 34.82 3kit s ARG 19 CO -0.04 -0.07 1.11 0.00 -1.08 0.00 0.00 175.30 175.21 3kit s ALA 20 N -0.35 3.37 -0.15 7.88 0.00 -1.26 -2.15 121.76 129.10 3kit s ALA 20 Ca -0.05 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.73 3kit s ALA 20 Cb -0.03 -3.36 0.02 0.00 0.00 0.00 0.00 23.12 19.75 3kit s ALA 20 CO 0.01 -0.23 -0.13 0.14 0.00 0.00 0.00 175.76 175.55 3kit s VAL 21 N -0.13 1.54 0.08 0.00 -7.23 -0.13 -4.95 120.40 109.59 3kit s VAL 21 Ca 0.50 -0.66 -0.31 0.00 -1.81 0.00 0.00 61.98 59.71 3kit s VAL 21 Cb -0.29 -1.48 -0.07 0.00 0.56 0.00 0.00 36.38 35.10 3kit s VAL 21 CO 0.34 0.42 1.38 -2.16 -0.31 0.00 0.00 175.10 174.77 3kit s PRO 22 N 1.49 4.32 0.00 4.82 0.04 -1.26 -1.70 135.00 142.72 3kit s PRO 22 Ca 0.04 2.02 0.02 0.00 0.04 0.00 0.00 61.00 63.13 3kit s PRO 22 Cb -0.13 -3.34 -0.01 0.00 0.04 0.00 0.00 34.50 31.06 3kit s PRO 22 CO -0.10 -0.45 -0.07 0.14 0.04 0.00 0.00 177.00 176.55 3kit s VAL 23 N 1.42 0.58 -0.20 -0.36 -7.23 0.10 -0.83 120.40 113.89 3kit s VAL 23 Ca 0.64 -0.41 -0.05 0.00 -1.81 0.00 0.00 61.98 60.35 3kit s VAL 23 Cb -0.35 -0.51 -0.02 0.00 0.56 0.00 0.00 36.38 36.06 3kit s VAL 23 CO 0.29 0.09 -0.01 0.28 -0.31 0.00 0.00 175.10 175.45 3kit s THR 24 N -0.32 3.91 -0.42 5.32 -1.32 0.42 -2.04 115.64 121.18 3kit s THR 24 Ca 0.01 -0.33 -0.28 0.00 -1.21 0.00 0.00 61.69 59.88 3kit s THR 24 Cb -0.04 -2.76 0.02 0.00 -1.51 0.00 0.00 72.50 68.22 3kit s THR 24 CO -0.00 0.44 1.06 -0.69 -2.21 0.00 0.00 174.62 173.22 3kit s VAL 25 N 0.95 4.37 -0.04 5.08 1.01 0.09 -2.82 120.40 129.05 3kit s VAL 25 Ca 0.01 1.27 -0.00 0.00 0.00 0.00 0.00 61.98 63.26 3kit s VAL 25 Cb -0.14 -4.50 -0.04 0.00 0.00 0.00 0.00 36.38 31.70 3kit s VAL 25 CO 0.02 -0.79 0.02 -0.63 0.00 0.00 0.00 175.10 173.71 3kit s ILE 26 N 4.03 4.35 -0.34 2.22 1.01 -0.46 -0.52 121.20 131.49 3kit s ILE 26 Ca 0.44 -0.40 -0.10 0.00 0.00 0.00 0.00 60.65 60.59 3kit s ILE 26 Cb -0.09 -2.90 0.01 0.00 0.01 0.00 0.00 42.46 39.48 3kit s ILE 26 CO 0.25 0.48 0.17 -0.22 0.00 0.00 0.00 174.94 175.62 3kit s LEU 27 N -1.29 4.35 -0.83 2.97 2.96 -0.72 -0.64 118.68 125.49 3kit s LEU 27 Ca 0.17 -0.71 0.02 0.00 -0.22 0.00 0.00 54.13 53.39 3kit s LEU 27 Cb -0.12 -2.01 0.28 0.00 0.50 0.00 0.00 46.19 44.84 3kit s LEU 27 CO 0.07 -0.27 1.07 0.00 -1.32 0.00 0.00 176.35 175.91 3kit n ALA 28 N 4.99 4.58 -0.86 5.97 0.00 -0.70 -1.21 120.51 133.28 3kit n ALA 28 Ca -0.13 -4.79 -0.34 0.00 0.00 0.00 0.00 53.44 48.18 3kit n ALA 28 Cb 0.48 -1.52 0.10 0.00 0.00 0.00 0.00 19.45 18.50 3kit n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kit n GLY 29 N 1.01 -3.01 3.69 0.00 0.00 -1.26 -4.18 105.19 101.44 3kit n GLY 29 Ca 0.28 -0.69 -0.51 0.00 0.00 0.00 0.00 46.02 45.10 3kit n GLY 29 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kit n PRO 30 N -0.01 1.91 -3.47 1.61 -0.02 -1.26 -4.83 135.00 128.92 3kit n PRO 30 Ca 0.02 0.70 -0.43 0.00 -2.02 0.00 0.00 63.50 61.77 3kit n PRO 30 Cb 0.59 -2.51 -0.09 0.00 -0.02 0.00 0.00 33.50 31.47 3kit n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kit s PRO 32 N 1.63 3.64 -0.74 0.00 0.02 -1.24 0.18 135.00 138.48 3kit s PRO 32 Ca 0.04 0.98 -0.26 0.00 0.02 0.00 0.00 61.00 61.78 3kit s PRO 32 Cb -0.21 -4.00 -0.07 0.00 0.02 0.00 0.00 34.50 30.24 3kit s PRO 32 CO 0.08 -1.49 2.12 0.54 -0.33 0.00 0.00 177.00 177.92 3kit s VAL 33 N 5.23 3.24 -0.08 3.83 0.11 -1.26 -2.40 120.40 129.06 3kit s VAL 33 Ca 0.60 -0.08 -0.27 0.00 -2.93 0.00 0.00 61.98 59.29 3kit s VAL 33 Cb -0.14 -3.57 -0.23 0.00 -1.53 0.00 0.00 36.38 30.91 3kit s VAL 33 CO 0.31 -0.54 1.01 -0.37 -3.33 0.00 0.00 175.10 172.18 3kit h VAL 34 N 7.36 1.60 -5.14 2.04 -1.51 -1.55 -3.46 116.25 115.58 3kit h VAL 34 Ca -0.07 -1.77 -0.59 0.00 -1.23 0.00 0.00 66.70 63.04 3kit h VAL 34 Cb 1.09 2.81 -0.10 0.00 -2.13 0.00 0.00 31.29 32.96 3kit h VAL 34 CO 1.15 0.46 -0.40 1.67 -1.23 0.00 0.00 177.57 179.22 3kit n GLN 35 N -4.73 0.84 -3.66 5.19 7.27 -1.04 -4.80 117.38 116.46 3kit n GLN 35 Ca -0.09 -3.35 -0.07 0.00 0.07 0.00 0.00 57.00 53.56 3kit n GLN 35 Cb 0.37 0.78 -0.08 0.00 2.41 0.00 0.00 30.24 33.72 3kit n GLN 35 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 3kit s ARG 36 N -3.77 0.44 0.06 3.69 0.52 -1.26 -2.94 118.95 115.68 3kit s ARG 36 Ca 0.06 1.13 -0.11 0.00 -0.52 0.00 0.00 55.73 56.30 3kit s ARG 36 Cb -0.01 0.41 -0.06 0.00 0.52 0.00 0.00 34.95 35.81 3kit s ARG 36 CO 0.04 -0.21 0.40 1.03 0.02 0.00 0.00 175.30 176.58 3kit s ARG 37 N 2.41 3.80 0.01 3.54 1.81 0.86 -4.98 118.95 126.40 3kit s ARG 37 Ca -0.05 0.23 0.02 0.00 -1.72 0.00 0.00 55.73 54.21 3kit s ARG 37 Cb -0.11 -3.05 -0.01 0.00 -0.45 0.00 0.00 34.95 31.33 3kit s ARG 37 CO -0.15 0.59 -0.06 0.95 -0.68 0.00 0.00 175.30 175.95 3kit s THR 38 N -1.32 0.41 -1.03 0.02 -4.23 -1.26 -2.73 115.64 105.50 3kit s THR 38 Ca 0.31 -0.57 0.01 0.00 -1.18 0.00 0.00 61.69 60.26 3kit s THR 38 Cb -0.15 -0.42 0.01 0.00 1.34 0.00 0.00 72.50 73.29 3kit s THR 38 CO 0.17 -0.11 1.01 -0.81 -0.54 0.00 0.00 174.62 174.34 3kit n PRO 39 N 2.33 0.00 -0.04 3.99 -0.04 -1.26 0.44 135.00 140.42 3kit n PRO 39 Ca -0.17 0.47 -0.08 0.00 -0.04 0.00 0.00 63.50 63.68 3kit n PRO 39 Cb 0.57 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.46 3kit n PRO 39 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3kit h GLU 40 N 0.00 -0.03 0.00 0.54 5.08 -1.94 -3.22 114.58 115.00 3kit h GLU 40 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kit h GLU 40 Cb 0.02 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3kit h GLU 40 CO 0.00 0.49 -0.79 0.36 -1.00 0.00 0.00 179.01 178.06 3kit n LYS 41 N -4.72 2.45 -0.02 2.33 2.85 -1.00 -4.66 118.16 115.38 3kit n LYS 41 Ca -0.06 -0.03 -0.02 0.00 -1.05 0.00 0.00 58.31 57.16 3kit n LYS 41 Cb 0.26 -1.12 -0.04 0.00 -0.65 0.00 0.00 35.03 33.48 3kit n LYS 41 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3kit n ASP 42 N -1.43 3.86 0.00 -5.58 8.00 0.17 -4.95 116.55 116.62 3kit n ASP 42 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 3kit n ASP 42 Cb 0.22 0.66 0.00 0.00 -0.02 0.00 0.00 41.12 41.98 3kit n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kit n GLY 43 N 2.68 0.75 0.00 0.44 0.00 0.24 -4.92 105.19 104.38 3kit n GLY 43 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3kit n GLY 43 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3kit n TYR 44 N -2.25 0.00 -1.47 1.61 4.11 -1.25 -4.71 117.16 113.20 3kit n TYR 44 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 3kit n TYR 44 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 3kit n TYR 44 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.86 179.27 3kit n THR 45 N 0.00 -7.17 0.00 -3.48 -1.04 -1.25 -4.70 114.28 96.64 3kit n THR 45 Ca 0.00 1.47 0.00 0.00 -2.04 0.00 0.00 64.05 63.48 3kit n THR 45 Cb 0.00 -4.13 0.00 0.00 -1.82 0.00 0.00 70.33 64.38 3kit n THR 45 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kit n ALA 46 N 0.83 0.00 -2.74 2.41 0.00 -1.10 -2.90 120.51 117.01 3kit n ALA 46 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 3kit n ALA 46 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 3kit n ALA 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kit s VAL 47 N -1.47 4.47 -0.36 0.00 0.11 -1.19 -0.10 120.40 121.87 3kit s VAL 47 Ca 0.00 -0.48 -0.01 0.00 -2.93 0.00 0.00 61.98 58.56 3kit s VAL 47 Cb 0.00 -3.02 0.09 0.00 -1.53 0.00 0.00 36.38 31.92 3kit s VAL 47 CO 0.00 0.37 0.11 -1.58 -3.33 0.00 0.00 175.10 170.67 3kit s GLN 48 N -1.62 2.05 0.24 1.54 0.74 -1.15 -0.56 119.66 120.90 3kit s GLN 48 Ca 0.21 -1.65 0.06 0.00 0.05 0.00 0.00 55.36 54.03 3kit s GLN 48 Cb -0.12 -3.38 -0.03 0.00 1.10 0.00 0.00 33.01 30.58 3kit s GLN 48 CO 0.12 -0.90 0.29 -0.48 -0.55 0.00 0.00 175.29 173.77 3kit s LEU 49 N 1.13 4.11 0.34 3.68 2.34 -0.83 -1.35 118.68 128.10 3kit s LEU 49 Ca 0.04 -0.06 0.09 0.00 0.06 0.00 0.00 54.13 54.26 3kit s LEU 49 Cb -0.21 -2.64 -0.05 0.00 -0.56 0.00 0.00 46.19 42.72 3kit s LEU 49 CO -0.04 -0.05 0.06 -0.83 -1.06 0.00 0.00 176.35 174.42 3kit s GLY 50 N -3.90 2.04 0.00 -3.48 0.00 -1.01 -2.08 107.32 98.89 3kit s GLY 50 Ca 0.33 -1.93 0.00 0.00 0.00 0.00 0.00 44.72 43.13 3kit s GLY 50 CO 0.27 -1.86 0.00 0.33 0.00 0.00 0.00 173.10 171.84 3kit n PHE 51 N -1.02 0.00 0.00 1.90 -0.00 -0.93 -3.71 117.46 113.71 3kit n PHE 51 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.41 3kit n PHE 51 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.10 3kit n PHE 51 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 3kit n LEU 52 N 0.00 0.00 0.00 -2.13 7.94 -1.26 -4.02 117.00 117.53 3kit n LEU 52 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3kit n LEU 52 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3kit n LEU 52 CO 0.00 0.00 0.00 -2.65 -1.11 0.00 0.00 177.39 173.63 3kit n PRO 53 N 0.20 0.00 0.00 1.96 -0.02 -1.26 -0.49 135.00 135.39 3kit n PRO 53 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3kit n PRO 53 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3kit n PRO 53 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kit n GLN 54 N 0.00 0.00 0.00 -0.52 10.64 -1.26 -3.66 117.38 122.58 3kit n GLN 54 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 3kit n GLN 54 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 3kit n GLN 54 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 3kit n ASN 55 N 0.00 0.00 -3.46 2.61 4.05 -1.26 -4.09 115.26 113.11 3kit n ASN 55 Ca 0.00 0.00 -0.40 0.00 0.45 0.00 0.00 54.58 54.63 3kit n ASN 55 Cb 0.00 0.00 -0.11 0.00 1.23 0.00 0.00 39.78 40.90 3kit n ASN 55 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 3kit n PRO 56 N 0.00 0.00 -1.18 1.20 -0.02 -1.26 -4.24 135.00 129.50 3kit n PRO 56 Ca 0.00 -0.95 -0.02 0.00 -2.02 0.00 0.00 63.50 60.52 3kit n PRO 56 Cb 0.00 -2.44 -0.01 0.00 -0.02 0.00 0.00 33.50 31.03 3kit n PRO 56 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3kit n LYS 57 N 7.68 -1.21 0.00 -0.52 3.00 -1.26 -4.70 118.16 121.16 3kit n LYS 57 Ca 0.42 0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.83 3kit n LYS 57 Cb 0.38 -4.17 0.00 0.00 0.00 0.00 0.00 35.03 31.24 3kit n LYS 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3kit n ARG 58 N -1.24 0.44 0.24 1.64 1.74 -1.26 -4.01 116.66 114.22 3kit n ARG 58 Ca -0.02 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.94 3kit n ARG 58 Cb 0.10 -1.24 -0.07 0.00 -1.02 0.00 0.00 32.46 30.23 3kit n ARG 58 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 3kit h VAL 59 N 0.16 0.25 0.00 1.55 3.04 -1.90 -3.47 116.25 115.88 3kit h VAL 59 Ca 0.00 -0.52 0.00 0.00 -1.01 0.00 0.00 66.70 65.17 3kit h VAL 59 Cb 0.28 0.38 0.00 0.00 -2.01 0.00 0.00 31.29 29.95 3kit h VAL 59 CO 0.00 0.05 0.00 -0.46 -1.01 0.00 0.00 177.57 176.15 3kit n ASN 60 N -5.23 0.00 -0.01 3.17 0.23 -1.26 -3.59 115.26 108.58 3kit n ASN 60 Ca -0.10 0.00 -0.01 0.00 -0.53 0.00 0.00 54.58 53.94 3kit n ASN 60 Cb 0.30 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 37.99 3kit n ASN 60 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 3kit n ARG 61 N 0.00 0.05 -0.00 -3.83 3.00 -1.26 -4.55 116.66 110.07 3kit n ARG 61 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.86 3kit n ARG 61 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 32.46 31.45 3kit n ARG 61 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 3kit n PRO 62 N -2.59 1.00 0.00 -0.14 -0.04 -1.24 -3.88 135.00 128.12 3kit n PRO 62 Ca -0.03 -0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 3kit n PRO 62 Cb 0.53 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 3kit n PRO 62 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3kit n LEU 63 N 0.06 0.00 -4.47 1.53 0.00 -1.26 -4.56 117.00 108.29 3kit n LEU 63 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 56.01 55.86 3kit n LEU 63 Cb 0.28 0.00 -0.13 0.00 0.00 0.00 0.00 43.42 43.57 3kit n LEU 63 CO 0.00 0.00 1.49 1.17 0.00 0.00 0.00 177.39 180.05 3kit n LYS 64 N -0.64 0.22 -0.50 1.96 0.00 -1.25 -4.56 118.16 113.39 3kit n LYS 64 Ca 0.00 -0.54 0.06 0.00 0.00 0.00 0.00 58.31 57.82 3kit n LYS 64 Cb 0.00 -2.40 0.25 0.00 0.00 0.00 0.00 35.03 32.88 3kit n LYS 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3kit n GLY 65 N 5.96 2.15 0.00 3.14 0.00 -1.26 -4.41 105.19 110.76 3kit n GLY 65 Ca 0.48 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3kit n GLY 65 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3kit n HIS 66 N 0.57 0.00 -3.70 1.61 -0.00 -1.26 -4.40 115.22 108.04 3kit n HIS 66 Ca 0.18 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.77 3kit n HIS 66 Cb 0.75 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 30.64 3kit n HIS 66 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.34 176.46 3kit s PHE 67 N -1.34 -0.59 0.00 1.57 2.19 -1.26 -5.13 117.98 113.42 3kit s PHE 67 Ca 0.00 1.39 0.00 0.00 0.33 0.00 0.00 56.93 58.65 3kit s PHE 67 Cb 0.00 0.23 0.00 0.00 -1.31 0.00 0.00 43.02 41.94 3kit s PHE 67 CO 0.00 -0.29 0.00 0.00 1.83 0.00 0.00 175.22 176.76 3kit n ALA 68 N 3.10 0.00 -0.03 11.12 0.00 -1.26 -1.40 120.51 132.04 3kit n ALA 68 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3kit n ALA 68 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 3kit n ALA 68 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kit n LYS 69 N 0.00 0.06 0.00 0.00 5.02 -1.26 -4.34 118.16 117.64 3kit n LYS 69 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3kit n LYS 69 Cb 0.00 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 3kit n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kit n ALA 70 N 1.95 0.72 0.00 7.82 0.00 -0.49 -4.78 120.51 125.73 3kit n ALA 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kit n ALA 70 Cb 0.03 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 18.79 3kit n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kit n GLY 71 N -1.31 0.00 0.45 0.00 0.00 -1.26 -2.31 105.19 100.77 3kit n GLY 71 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kit n GLY 71 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kit n VAL 72 N 0.00 0.00 -1.01 1.61 0.31 -1.26 -4.62 118.33 113.35 3kit n VAL 72 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.00 3kit n VAL 72 Cb 0.00 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 3kit n VAL 72 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3kit n GLU 73 N 0.15 0.00 -1.69 5.55 1.02 -0.98 -4.58 120.64 120.11 3kit n GLU 73 Ca 0.00 0.00 -0.62 0.00 -0.02 0.00 0.00 57.16 56.52 3kit n GLU 73 Cb 0.00 -0.76 -0.09 0.00 -0.02 0.00 0.00 31.44 30.57 3kit n GLU 73 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3kit n PRO 74 N 0.95 0.45 0.00 3.49 -0.02 -1.26 -4.75 135.00 133.87 3kit n PRO 74 Ca 0.10 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 3kit n PRO 74 Cb 0.27 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 3kit n PRO 74 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3kit n VAL 75 N 3.73 0.00 -1.01 -1.45 0.31 0.36 -1.49 118.33 118.78 3kit n VAL 75 Ca 0.27 1.22 -0.30 0.00 -0.01 0.00 0.00 64.34 65.51 3kit n VAL 75 Cb 0.04 -1.91 -0.02 0.00 -0.91 0.00 0.00 33.84 31.04 3kit n VAL 75 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3kit n ARG 76 N -1.60 2.50 0.00 5.55 1.74 -1.26 -4.90 116.66 118.69 3kit n ARG 76 Ca 0.00 -1.78 0.00 0.00 -0.77 0.00 0.00 57.85 55.30 3kit n ARG 76 Cb 0.00 -2.66 0.00 0.00 -1.02 0.00 0.00 32.46 28.78 3kit n ARG 76 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3kit n ILE 77 N 4.32 0.00 -3.85 0.55 2.08 -0.56 -4.58 119.36 117.32 3kit n ILE 77 Ca 0.55 0.00 -0.12 0.00 0.56 0.00 0.00 62.75 63.74 3kit n ILE 77 Cb 0.21 0.00 -0.10 0.00 -0.75 0.00 0.00 39.64 39.00 3kit n ILE 77 CO 0.00 0.00 0.00 -1.48 0.56 0.00 0.00 176.55 175.63 3kit s LEU 78 N 0.00 1.42 0.36 1.39 0.05 -1.26 -2.18 118.68 118.46 3kit s LEU 78 Ca 0.00 -0.06 0.03 0.00 0.05 0.00 0.00 54.13 54.16 3kit s LEU 78 Cb 0.00 0.74 -0.04 0.00 -2.05 0.00 0.00 46.19 44.84 3kit s LEU 78 CO 0.00 -0.32 0.10 -0.13 -0.55 0.00 0.00 176.35 175.45 3kit s ARG 79 N -1.08 1.76 0.42 1.48 3.00 -0.88 -4.95 118.95 118.69 3kit s ARG 79 Ca -0.12 -2.03 0.04 0.00 0.00 0.00 0.00 55.73 53.62 3kit s ARG 79 Cb -0.06 -0.63 0.00 0.00 0.00 0.00 0.00 34.95 34.26 3kit s ARG 79 CO 0.02 -0.36 0.60 -1.21 0.00 0.00 0.00 175.30 174.34 3kit s GLU 80 N -3.82 2.99 -0.07 3.54 2.02 -1.26 -1.96 118.70 120.15 3kit s GLU 80 Ca 0.30 -0.80 0.10 0.00 0.02 0.00 0.00 54.97 54.59 3kit s GLU 80 Cb 0.05 -2.67 0.15 0.00 0.10 0.00 0.00 34.13 31.77 3kit s GLU 80 CO 0.15 -0.20 1.05 -0.89 0.02 0.00 0.00 175.26 175.39 3kit n ILE 81 N -1.92 1.12 -3.38 -1.63 2.08 0.28 -4.95 119.36 110.96 3kit n ILE 81 Ca 0.02 -1.32 0.00 0.00 0.56 0.00 0.00 62.75 62.01 3kit n ILE 81 Cb 0.58 0.14 0.00 0.00 -0.75 0.00 0.00 39.64 39.61 3kit n ILE 81 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 3kit n ARG 82 N -0.82 0.00 -1.42 0.38 3.00 -1.26 -4.23 116.66 112.31 3kit n ARG 82 Ca 0.09 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.80 3kit n ARG 82 Cb 0.60 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.95 3kit n ARG 82 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3kit n ASP 83 N -3.24 -0.18 -3.15 6.15 10.43 -1.14 -3.34 116.55 122.07 3kit n ASP 83 Ca 0.00 -1.35 0.04 0.00 2.57 0.00 0.00 54.79 56.05 3kit n ASP 83 Cb 0.00 -1.08 -0.01 0.00 1.84 0.00 0.00 41.12 41.88 3kit n ASP 83 CO 0.00 0.00 0.00 0.12 -1.07 0.00 0.00 177.20 176.25 3kit s PHE 84 N 7.29 -1.34 -0.26 1.24 5.99 -1.26 -0.86 117.98 128.78 3kit s PHE 84 Ca 0.83 1.12 0.02 0.00 0.00 0.00 0.00 56.93 58.90 3kit s PHE 84 Cb -0.32 0.36 0.07 0.00 0.00 0.00 0.00 43.02 43.12 3kit s PHE 84 CO 0.24 -0.76 -0.07 1.21 -0.00 0.00 0.00 175.22 175.85 3kit s ASN 85 N 2.88 4.32 0.00 6.13 3.84 -1.26 -3.14 114.94 127.71 3kit s ASN 85 Ca 0.14 -1.44 0.00 0.00 0.21 0.00 0.00 52.86 51.78 3kit s ASN 85 Cb -0.11 -1.44 0.00 0.00 -0.55 0.00 0.00 41.25 39.15 3kit s ASN 85 CO -0.21 -0.23 0.00 -0.81 -2.79 0.00 0.00 177.10 173.06 3kit n PRO 86 N 4.48 1.05 -1.65 0.43 -0.04 -1.26 -4.95 135.00 133.07 3kit n PRO 86 Ca -0.11 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.94 3kit n PRO 86 Cb 0.43 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.85 3kit n PRO 86 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3kit n GLU 87 N -0.95 2.13 -0.20 0.54 0.28 -1.26 -4.83 120.64 116.35 3kit n GLU 87 Ca 0.00 -2.35 -0.02 0.00 -0.16 0.00 0.00 57.16 54.64 3kit n GLU 87 Cb 0.00 -3.23 -0.02 0.00 1.43 0.00 0.00 31.44 29.62 3kit n GLU 87 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3kit n GLY 88 N 4.72 -0.03 0.00 -1.84 0.00 -1.26 -4.62 105.19 102.15 3kit n GLY 88 Ca 0.49 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.51 3kit n GLY 88 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kit n ASP 89 N 0.80 0.00 -2.27 1.61 2.03 -1.26 -5.00 116.55 112.46 3kit n ASP 89 Ca 0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.36 3kit n ASP 89 Cb 0.06 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 3kit n ASP 89 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 3kit n THR 90 N 0.00-10.95 -3.31 5.18 -1.04 -1.25 -4.92 114.28 98.00 3kit n THR 90 Ca 0.00 2.61 -0.38 0.00 -2.04 0.00 0.00 64.05 64.23 3kit n THR 90 Cb 0.00 -5.17 -0.06 0.00 -1.82 0.00 0.00 70.33 63.28 3kit n THR 90 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3kit s VAL 91 N -0.48 5.17 0.44 12.58 1.01 0.46 -4.83 120.40 134.75 3kit s VAL 91 Ca 0.00 0.90 0.06 0.00 0.00 0.00 0.00 61.98 62.95 3kit s VAL 91 Cb 0.00 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 3kit s VAL 91 CO 0.00 0.26 0.17 0.42 0.00 0.00 0.00 175.10 175.95 3kit s THR 92 N 1.07 2.06 0.59 3.92 -4.23 -1.26 -0.61 115.64 117.18 3kit s THR 92 Ca 0.24 -1.74 0.28 0.00 -1.18 0.00 0.00 61.69 59.29 3kit s THR 92 Cb -0.15 -2.80 0.36 0.00 1.34 0.00 0.00 72.50 71.25 3kit s THR 92 CO 0.09 0.00 2.12 0.58 -0.54 0.00 0.00 174.62 176.87 3kit h VAL 93 N 1.37 0.49 0.00 2.29 2.07 -1.89 -2.16 116.25 118.44 3kit h VAL 93 Ca -0.42 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.10 3kit h VAL 93 Cb 1.26 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 3kit h VAL 93 CO 0.70 0.00 0.21 1.21 0.02 0.00 0.00 177.57 179.72 3kit n GLU 94 N -3.84 0.09 0.26 1.57 4.07 -1.26 -1.46 120.64 120.07 3kit n GLU 94 Ca 0.01 0.55 0.10 0.00 -0.06 0.00 0.00 57.16 57.76 3kit n GLU 94 Cb 0.30 -2.00 0.68 0.00 -0.06 0.00 0.00 31.44 30.37 3kit n GLU 94 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 3kit h ILE 95 N 0.00 0.81 -3.31 6.31 1.08 -1.80 -3.41 117.51 117.18 3kit h ILE 95 Ca 0.00 -0.35 -0.64 0.00 -0.39 0.00 0.00 64.86 63.48 3kit h ILE 95 Cb 0.43 1.21 -0.19 0.00 -3.07 0.00 0.00 36.82 35.19 3kit h ILE 95 CO 0.00 0.09 -0.64 -0.36 -0.69 0.00 0.00 178.15 176.55 3kit s PHE 96 N -4.58 3.09 -0.08 1.37 0.08 -0.53 -5.07 117.98 112.25 3kit s PHE 96 Ca -0.04 -0.15 0.01 0.00 0.12 0.00 0.00 56.93 56.88 3kit s PHE 96 Cb 0.15 -1.95 -0.03 0.00 -0.57 0.00 0.00 43.02 40.62 3kit s PHE 96 CO 0.63 0.08 -0.10 0.15 -0.10 0.00 0.00 175.22 175.88 3kit s LYS 97 N 0.16 2.85 0.12 0.44 1.02 -1.26 -4.92 119.74 118.14 3kit s LYS 97 Ca 0.00 -0.61 -0.34 0.00 0.02 0.00 0.00 55.97 55.04 3kit s LYS 97 Cb -0.13 -2.56 -0.17 0.00 -0.52 0.00 0.00 37.83 34.44 3kit s LYS 97 CO 0.02 0.55 1.03 -2.30 -0.92 0.00 0.00 175.35 173.73 3kit n PRO 98 N 2.56 0.62 0.00 -1.68 -0.02 -1.26 -1.71 135.00 133.50 3kit n PRO 98 Ca -0.18 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 3kit n PRO 98 Cb 0.53 -1.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 3kit n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kit n GLY 99 N 1.90 2.84 3.80 -1.23 0.00 -0.66 -5.01 105.19 106.83 3kit n GLY 99 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3kit n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kit s GLU 100 N -0.51 3.48 -0.01 1.61 2.02 -0.70 -4.69 118.70 119.90 3kit s GLU 100 Ca 0.00 1.24 0.02 0.00 0.02 0.00 0.00 54.97 56.26 3kit s GLU 100 Cb 0.00 -2.05 -0.03 0.00 0.10 0.00 0.00 34.13 32.14 3kit s GLU 100 CO 0.00 -0.68 -0.05 1.03 0.02 0.00 0.00 175.26 175.58 3kit s ARG 101 N -3.83 2.64 0.26 1.61 1.81 -1.26 -0.08 118.95 120.10 3kit s ARG 101 Ca 0.64 -0.66 0.03 0.00 -1.72 0.00 0.00 55.73 54.02 3kit s ARG 101 Cb -0.16 -2.56 -0.04 0.00 -0.45 0.00 0.00 34.95 31.74 3kit s ARG 101 CO 0.32 0.62 0.19 0.14 -0.68 0.00 0.00 175.30 175.88 3kit s VAL 102 N -0.99 0.05 0.12 3.52 -7.23 0.56 -2.40 120.40 114.03 3kit s VAL 102 Ca 0.17 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.43 3kit s VAL 102 Cb -0.11 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 3kit s VAL 102 CO 0.07 0.00 -0.19 -1.81 -0.31 0.00 0.00 175.10 172.87 3kit s ASP 103 N -3.27 3.85 -0.05 4.85 1.01 -1.03 -0.44 116.67 121.59 3kit s ASP 103 Ca 0.39 -0.58 0.01 0.00 0.71 0.00 0.00 52.55 53.08 3kit s ASP 103 Cb 0.05 -0.52 0.02 0.00 1.01 0.00 0.00 42.92 43.48 3kit s ASP 103 CO 0.18 0.17 -0.06 -0.69 0.21 0.00 0.00 175.17 174.99 3kit s VAL 104 N -1.17 0.65 0.05 -1.27 1.01 -0.61 -2.14 120.40 116.93 3kit s VAL 104 Ca 0.18 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.98 3kit s VAL 104 Cb -0.10 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 3kit s VAL 104 CO 0.10 0.25 0.13 -0.89 0.00 0.00 0.00 175.10 174.69 3kit s THR 105 N 0.91 4.92 0.22 3.92 2.01 -0.71 -1.01 115.64 125.89 3kit s THR 105 Ca -0.11 -0.52 -0.23 0.00 0.31 0.00 0.00 61.69 61.14 3kit s THR 105 Cb -0.15 -3.35 0.05 0.00 0.01 0.00 0.00 72.50 69.07 3kit s THR 105 CO 0.00 0.19 0.87 -0.83 -0.69 0.00 0.00 174.62 174.17 3kit s GLY 106 N -2.25 -0.10 -0.47 4.40 0.00 0.44 -2.46 107.32 106.88 3kit s GLY 106 Ca 0.30 -0.15 -0.14 0.00 0.00 0.00 0.00 44.72 44.73 3kit s GLY 106 CO 0.22 0.15 0.38 -1.59 0.00 0.00 0.00 173.10 172.26 3kit s THR 107 N -3.31 4.97 0.49 0.90 2.01 -1.26 -0.17 115.64 119.27 3kit s THR 107 Ca 0.13 -1.25 -0.21 0.00 0.31 0.00 0.00 61.69 60.67 3kit s THR 107 Cb -0.03 -4.04 -0.10 0.00 0.01 0.00 0.00 72.50 68.34 3kit s THR 107 CO 0.05 -0.63 0.65 -1.54 -0.69 0.00 0.00 174.62 172.46 3kit n SER 108 N 5.14 -0.44 -4.68 3.53 3.41 0.12 -3.32 113.62 117.38 3kit n SER 108 Ca -0.12 0.86 -0.41 0.00 -0.26 0.00 0.00 58.87 58.94 3kit n SER 108 Cb 0.43 -1.20 0.01 0.00 -0.26 0.00 0.00 64.21 63.19 3kit n SER 108 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3kit n LYS 109 N 0.17 1.81 -2.97 4.33 5.02 -1.26 -0.73 118.16 124.53 3kit n LYS 109 Ca 0.11 0.64 -0.43 0.00 -2.02 0.00 0.00 58.31 56.62 3kit n LYS 109 Cb 0.43 -2.32 -0.05 0.00 -0.02 0.00 0.00 35.03 33.06 3kit n LYS 109 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3kit s GLY 110 N -0.58 1.63 0.00 0.72 0.00 -1.26 -1.53 107.32 106.29 3kit s GLY 110 Ca 0.62 -0.89 0.29 0.00 0.00 0.00 0.00 44.72 44.74 3kit s GLY 110 CO 0.57 1.75 1.92 0.54 0.00 0.00 0.00 173.10 177.89 3kit n ARG 111 N 6.57 1.18 0.00 2.90 1.74 0.80 -4.84 116.66 125.01 3kit n ARG 111 Ca 0.02 -0.46 0.00 0.00 -0.77 0.00 0.00 57.85 56.64 3kit n ARG 111 Cb 0.48 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 3kit n ARG 111 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kit n GLY 112 N 1.15 0.19 3.55 -0.13 0.00 -1.23 -4.32 105.19 104.41 3kit n GLY 112 Ca 0.19 -0.94 -0.39 0.00 0.00 0.00 0.00 46.02 44.88 3kit n GLY 112 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kit s PHE 113 N 0.00 1.76 -0.15 1.61 5.99 -1.26 -0.60 117.98 125.33 3kit s PHE 113 Ca 0.00 0.68 -0.08 0.00 0.00 0.00 0.00 56.93 57.54 3kit s PHE 113 Cb 0.00 -4.16 -0.04 0.00 0.00 0.00 0.00 43.02 38.82 3kit s PHE 113 CO 0.00 -2.31 0.11 0.00 -0.00 0.00 0.00 175.22 173.02 3kit s ALA 114 N 8.44 3.69 0.89 11.12 0.00 0.19 -4.87 121.76 141.22 3kit s ALA 114 Ca 0.64 -0.69 -0.12 0.00 0.00 0.00 0.00 51.96 51.79 3kit s ALA 114 Cb -0.13 -1.98 0.13 0.00 0.00 0.00 0.00 23.12 21.14 3kit s ALA 114 CO 0.21 0.40 1.13 0.20 0.00 0.00 0.00 175.76 177.70 3kit s GLY 115 N -0.35 1.58 0.66 0.00 0.00 -1.26 -0.92 107.32 107.04 3kit s GLY 115 Ca 0.11 -0.45 -0.16 0.00 0.00 0.00 0.00 44.72 44.22 3kit s GLY 115 CO 0.01 0.09 1.16 0.54 0.00 0.00 0.00 173.10 174.90 3kit s VAL 116 N -3.23 2.85 -0.16 1.40 0.11 -1.26 -2.68 120.40 117.43 3kit s VAL 116 Ca 0.63 0.44 -0.01 0.00 -2.93 0.00 0.00 61.98 60.11 3kit s VAL 116 Cb -0.15 -3.01 0.00 0.00 -1.53 0.00 0.00 36.38 31.69 3kit s VAL 116 CO 0.54 -0.20 0.16 1.15 -3.33 0.00 0.00 175.10 173.41 3kit n MET 117 N -2.24 -0.37 0.00 1.54 0.00 -1.26 -4.68 117.12 110.11 3kit n MET 117 Ca 0.12 0.77 0.00 0.00 0.00 0.00 0.00 57.70 58.59 3kit n MET 117 Cb 0.51 -2.50 0.00 0.00 0.00 0.00 0.00 33.22 31.23 3kit n MET 117 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 3kit n LYS 118 N -1.01 0.00 0.09 3.17 4.81 -1.26 -4.66 118.16 119.30 3kit n LYS 118 Ca 0.01 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.37 3kit n LYS 118 Cb 0.41 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.48 3kit n LYS 118 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 3kit h ARG 119 N 0.00 0.16 0.00 1.64 1.12 -1.78 -3.39 114.38 112.13 3kit h ARG 119 Ca 0.00 -0.16 0.00 0.00 -1.11 0.00 0.00 59.98 58.71 3kit h ARG 119 Cb 0.00 0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.00 3kit h ARG 119 CO 0.00 0.90 0.00 0.91 -3.11 0.00 0.00 179.97 178.67 3kit n TRP 120 N -3.67 0.00 -0.98 2.20 5.03 -1.26 -5.04 117.44 113.72 3kit n TRP 120 Ca -0.03 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.50 3kit n TRP 120 Cb 0.77 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 31.05 3kit n TRP 120 CO 0.00 0.00 0.00 0.09 -0.03 0.00 0.00 177.69 177.75 3kit n ASN 121 N -0.12 -2.41 -4.38 -0.99 4.13 -1.26 -4.71 115.26 105.52 3kit n ASN 121 Ca 0.00 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 55.91 3kit n ASN 121 Cb 0.09 -0.40 0.08 0.00 -1.54 0.00 0.00 39.78 38.01 3kit n ASN 121 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3kit n PHE 122 N -2.80 -1.72 0.08 3.10 3.01 -1.26 -4.77 117.46 113.09 3kit n PHE 122 Ca 0.00 0.26 0.02 0.00 1.01 0.00 0.00 57.45 58.74 3kit n PHE 122 Cb 0.00 -1.79 -0.04 0.00 -0.01 0.00 0.00 39.48 37.64 3kit n PHE 122 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kit h ALA 123 N -0.90 0.65 -0.96 4.37 0.00 -1.95 -3.41 119.26 117.07 3kit h ALA 123 Ca -0.44 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 53.83 3kit h ALA 123 Cb 1.32 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3kit h ALA 123 CO 0.37 0.74 0.00 0.41 0.00 0.00 0.00 179.25 180.76 3kit n GLY 124 N 1.32 -0.23 4.00 0.00 0.00 -1.26 -4.86 105.19 104.16 3kit n GLY 124 Ca -0.05 -1.01 -0.20 0.00 0.00 0.00 0.00 46.02 44.76 3kit n GLY 124 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kit s GLY 125 N -3.45 1.89 0.18 -0.02 0.00 0.44 -4.96 107.32 101.40 3kit s GLY 125 Ca 0.00 -1.92 -0.31 0.00 0.00 0.00 0.00 44.72 42.49 3kit s GLY 125 CO 0.00 -1.69 1.42 2.56 0.00 0.00 0.00 173.10 175.39 3kit s PRO 126 N -4.52 4.30 0.62 2.90 0.04 -1.26 -4.76 135.00 132.32 3kit s PRO 126 Ca 0.56 2.19 0.38 0.00 0.04 0.00 0.00 61.00 64.17 3kit s PRO 126 Cb -0.06 -3.18 2.10 0.00 0.04 0.00 0.00 34.50 33.40 3kit s PRO 126 CO 0.35 -0.43 2.29 -0.44 0.04 0.00 0.00 177.00 178.80 3kit h ASP 127 N 6.01 0.00 0.00 6.66 5.19 -1.92 -3.45 116.42 128.91 3kit h ASP 127 Ca -0.44 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 3kit h ASP 127 Cb 1.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.72 3kit h ASP 127 CO 0.83 0.01 0.00 -1.54 -3.12 0.00 0.00 179.24 175.42 3kit n SER 128 N -3.35 0.00 0.00 6.45 3.41 -1.26 -5.00 113.62 113.87 3kit n SER 128 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 3kit n SER 128 Cb 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 3kit n SER 128 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3kit n HIS 129 N 0.00 0.00 0.00 7.33 8.25 -1.26 -4.69 115.22 124.85 3kit n HIS 129 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3kit n HIS 129 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3kit n HIS 129 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kit n GLY 130 N 0.00 -2.75 2.67 -1.41 0.00 -1.26 -4.92 105.19 97.52 3kit n GLY 130 Ca 0.00 -1.06 -0.33 0.00 0.00 0.00 0.00 46.02 44.64 3kit n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kit n ALA 131 N -3.00 -5.19 -0.19 4.61 0.00 -1.26 -4.96 120.51 110.52 3kit n ALA 131 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.66 3kit n ALA 131 Cb 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3kit n ALA 131 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3kit n HIS 132 N -2.45 0.00 -1.03 0.00 -0.00 -1.26 -4.76 115.22 105.71 3kit n HIS 132 Ca -0.02 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.17 3kit n HIS 132 Cb 0.54 0.00 0.32 0.00 -0.12 0.00 0.00 29.99 30.73 3kit n HIS 132 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 3kit n LYS 133 N -0.32 3.79 -2.72 1.57 5.02 -1.26 -4.34 118.16 119.90 3kit n LYS 133 Ca 0.00 -3.08 -0.06 0.00 -2.02 0.00 0.00 58.31 53.16 3kit n LYS 133 Cb 0.05 -2.14 0.05 0.00 -0.02 0.00 0.00 35.03 32.96 3kit n LYS 133 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3kit n ILE 134 N -0.07 0.94 -0.05 -0.18 -6.64 -1.26 -4.95 119.36 107.14 3kit n ILE 134 Ca 0.33 -2.76 -0.13 0.00 -1.77 0.00 0.00 62.75 58.42 3kit n ILE 134 Cb 1.23 0.93 -0.07 0.00 -1.44 0.00 0.00 39.64 40.28 3kit n ILE 134 CO 0.00 0.00 0.00 0.45 -1.77 0.00 0.00 176.55 175.23 3kit h HIS 135 N 2.68 0.43 -0.41 4.28 3.86 -1.86 -3.26 115.15 120.88 3kit h HIS 135 Ca -0.15 -0.14 -0.02 0.00 -1.16 0.00 0.00 60.37 58.90 3kit h HIS 135 Cb 1.23 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 29.60 3kit h HIS 135 CO 0.44 0.78 0.02 0.54 0.86 0.00 0.00 177.93 180.56 3kit n ARG 136 N -4.53 3.65 -1.77 2.45 1.74 -1.26 -0.42 116.66 116.52 3kit n ARG 136 Ca -0.06 -2.99 -0.31 0.00 -0.77 0.00 0.00 57.85 53.72 3kit n ARG 136 Cb 0.38 -2.02 0.04 0.00 -1.02 0.00 0.00 32.46 29.84 3kit n ARG 136 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3kit s HIS 137 N -2.84 3.34 -0.29 -1.55 3.76 -1.23 -4.75 115.29 111.72 3kit s HIS 137 Ca 0.48 1.24 0.27 0.00 -0.15 0.00 0.00 55.06 56.90 3kit s HIS 137 Cb 0.38 -2.90 0.78 0.00 1.11 0.00 0.00 32.58 31.95 3kit s HIS 137 CO 0.11 -1.07 1.76 -1.00 -0.85 0.00 0.00 174.74 173.69 3kit h PRO 138 N -0.59 0.00 0.00 8.40 0.13 -1.94 -3.37 132.00 134.63 3kit h PRO 138 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3kit h PRO 138 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3kit h PRO 138 CO 0.61 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.79 3kit n GLY 139 N 0.69 0.59 3.85 1.56 0.00 -1.26 -4.87 105.19 105.75 3kit n GLY 139 Ca 0.03 -1.16 -0.32 0.00 0.00 0.00 0.00 46.02 44.57 3kit n GLY 139 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kit s SER 140 N -4.00 6.61 0.00 1.61 0.15 -1.26 -4.99 113.70 111.82 3kit s SER 140 Ca 0.00 1.54 0.00 0.00 0.70 0.00 0.00 55.95 58.19 3kit s SER 140 Cb 0.00 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 3kit s SER 140 CO 0.00 -0.58 0.18 2.30 1.20 0.00 0.00 173.24 176.33 3kit n ILE 141 N -1.59 0.00 -2.62 6.45 -5.35 -1.26 -5.11 119.36 109.87 3kit n ILE 141 Ca 0.06 -0.18 0.00 0.00 -0.27 0.00 0.00 62.75 62.36 3kit n ILE 141 Cb 0.54 1.61 0.00 0.00 -1.74 0.00 0.00 39.64 40.05 3kit n ILE 141 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kit n GLY 142 N 0.01 3.92 0.00 3.28 0.00 -1.26 -4.74 105.19 106.40 3kit n GLY 142 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.90 3kit n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kit n ASN 143 N -0.27 0.00 0.00 1.61 5.03 -1.26 -5.14 115.26 115.22 3kit n ASN 143 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3kit n ASN 143 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 3kit n ASN 143 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3kit n ARG 144 N 0.00 0.00 -0.08 3.52 5.12 -1.26 -4.98 116.66 118.98 3kit n ARG 144 Ca 0.00 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 55.90 3kit n ARG 144 Cb 0.00 0.00 0.23 0.00 -1.16 0.00 0.00 32.46 31.53 3kit n ARG 144 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 3kit h LYS 145 N 0.00 0.71 -5.29 5.56 1.79 -2.02 -3.07 116.57 114.26 3kit h LYS 145 Ca 0.00 -0.15 -0.67 0.00 -2.18 0.00 0.00 60.65 57.65 3kit h LYS 145 Cb 0.00 -0.11 -0.31 0.00 -1.58 0.00 0.00 32.23 30.24 3kit h LYS 145 CO 0.00 0.68 -0.83 0.95 -1.08 0.00 0.00 179.45 179.16 3kit s THR 146 N -5.11 2.46 -0.02 -0.16 -4.23 -1.26 -2.57 115.64 104.75 3kit s THR 146 Ca -0.09 -0.86 0.23 0.00 -1.18 0.00 0.00 61.69 59.79 3kit s THR 146 Cb 0.15 -2.00 0.23 0.00 1.34 0.00 0.00 72.50 72.23 3kit s THR 146 CO 0.79 0.54 1.73 1.55 -0.54 0.00 0.00 174.62 178.69 3kit h PRO 147 N 6.91 0.00 -0.70 3.99 0.13 -1.96 -3.44 132.00 136.93 3kit h PRO 147 Ca -0.25 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.85 3kit h PRO 147 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3kit h PRO 147 CO 0.52 0.23 -0.04 0.41 -0.23 0.00 0.00 178.00 178.89 3kit n GLY 148 N 0.50 0.55 3.84 1.56 0.00 -1.06 -5.04 105.19 105.55 3kit n GLY 148 Ca 0.01 -0.74 -0.06 0.00 0.00 0.00 0.00 46.02 45.23 3kit n GLY 148 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kit s ARG 149 N -4.52 1.71 -0.12 1.61 1.70 -1.26 -5.06 118.95 113.00 3kit s ARG 149 Ca 0.02 -0.96 -0.03 0.00 -0.47 0.00 0.00 55.73 54.29 3kit s ARG 149 Cb -0.01 0.57 -0.03 0.00 -0.57 0.00 0.00 34.95 34.91 3kit s ARG 149 CO 0.02 -0.78 -0.02 0.08 -1.08 0.00 0.00 175.30 173.52 3kit s VAL 150 N -3.65 4.08 0.30 4.99 1.01 -1.26 -4.77 120.40 121.09 3kit s VAL 150 Ca 0.12 -0.31 -0.29 0.00 0.00 0.00 0.00 61.98 61.49 3kit s VAL 150 Cb -0.05 -2.75 -0.13 0.00 0.00 0.00 0.00 36.38 33.45 3kit s VAL 150 CO 0.06 0.54 1.32 -1.22 0.00 0.00 0.00 175.10 175.81 3kit n TYR 151 N 2.87 2.17 -2.14 5.22 4.01 -1.26 -4.93 117.16 123.10 3kit n TYR 151 Ca -0.18 0.51 -0.41 0.00 -0.16 0.00 0.00 57.90 57.66 3kit n TYR 151 Cb 0.53 -2.42 -0.03 0.00 -0.31 0.00 0.00 39.34 37.11 3kit n TYR 151 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 3kit s LYS 152 N -1.23 4.35 0.00 -0.72 2.47 -1.26 -2.15 119.74 121.20 3kit s LYS 152 Ca 0.61 2.16 0.00 0.00 -1.56 0.00 0.00 55.97 57.18 3kit s LYS 152 Cb -0.61 -3.14 0.00 0.00 -1.46 0.00 0.00 37.83 32.63 3kit s LYS 152 CO 0.57 -0.27 0.00 0.41 0.16 0.00 0.00 175.35 176.22 3kit n GLY 153 N 1.86 0.74 3.67 5.54 0.00 -1.26 -5.01 105.19 110.72 3kit n GLY 153 Ca 0.04 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.60 3kit n GLY 153 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kit n LYS 154 N -2.15 2.18 -2.15 1.61 3.00 -0.91 -4.87 118.16 114.87 3kit n LYS 154 Ca 0.00 0.79 -0.43 0.00 -0.00 0.00 0.00 58.31 58.67 3kit n LYS 154 Cb 0.00 -2.58 -0.02 0.00 0.00 0.00 0.00 35.03 32.42 3kit n LYS 154 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3kit s LYS 155 N 1.66 4.07 0.25 1.64 1.02 -1.26 -4.96 119.74 122.17 3kit s LYS 155 Ca 0.82 1.88 -0.00 0.00 0.02 0.00 0.00 55.97 58.69 3kit s LYS 155 Cb -0.67 -3.94 -0.03 0.00 -0.52 0.00 0.00 37.83 32.66 3kit s LYS 155 CO 0.41 -0.95 0.23 -1.64 -0.92 0.00 0.00 175.35 172.48 3kit s MET 156 N 4.09 1.43 0.71 1.68 -1.94 -1.26 -5.07 119.30 118.94 3kit s MET 156 Ca 0.68 -1.70 -0.14 0.00 -1.71 0.00 0.00 55.69 52.82 3kit s MET 156 Cb -0.27 0.32 0.03 0.00 2.01 0.00 0.00 34.83 36.91 3kit s MET 156 CO 0.25 -0.51 1.13 0.00 -0.01 0.00 0.00 175.02 175.88 3kit s ALA 157 N -3.88 2.30 0.00 3.03 0.00 -1.26 -4.74 121.76 117.20 3kit s ALA 157 Ca 0.37 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.91 3kit s ALA 157 Cb 0.05 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.81 3kit s ALA 157 CO 0.16 -1.57 0.00 0.41 0.00 0.00 0.00 175.76 174.76 3kit n GLY 158 N -0.38 -1.67 3.71 0.00 0.00 -0.09 -4.96 105.19 101.80 3kit n GLY 158 Ca 0.11 -1.14 -0.43 0.00 0.00 0.00 0.00 46.02 44.57 3kit n GLY 158 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3kit n HIS 159 N 4.05 2.70 -4.03 1.61 -0.00 -1.26 0.57 115.22 118.86 3kit n HIS 159 Ca 0.00 0.05 -0.24 0.00 -0.00 0.00 0.00 57.72 57.54 3kit n HIS 159 Cb 0.00 -2.66 -0.17 0.00 -0.00 0.00 0.00 29.99 27.16 3kit n HIS 159 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.34 175.87 3kit s TYR 160 N 1.21 1.05 0.00 1.57 6.04 0.23 -4.82 117.35 122.63 3kit s TYR 160 Ca 0.76 -0.40 0.00 0.00 0.04 0.00 0.00 57.07 57.46 3kit s TYR 160 Cb -0.52 -0.93 0.00 0.00 -1.04 0.00 0.00 41.96 39.46 3kit s TYR 160 CO 0.33 -0.34 0.00 0.41 -1.54 0.00 0.00 175.55 174.41 3kit n GLY 161 N 4.60 -1.81 3.89 8.97 0.00 -1.26 -0.14 105.19 119.43 3kit n GLY 161 Ca -0.16 -1.89 -0.26 0.00 0.00 0.00 0.00 46.02 43.71 3kit n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kit n ALA 162 N 0.29 -1.75 -2.38 4.61 0.00 0.10 -4.75 120.51 116.64 3kit n ALA 162 Ca 0.00 -0.09 -0.20 0.00 0.00 0.00 0.00 53.44 53.15 3kit n ALA 162 Cb 0.00 -2.61 -0.09 0.00 0.00 0.00 0.00 19.45 16.75 3kit n ALA 162 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3kit s GLU 163 N -6.42 1.62 -0.09 0.00 -1.05 -1.23 -4.85 118.70 106.69 3kit s GLU 163 Ca 0.25 -1.92 -0.30 0.00 -0.15 0.00 0.00 54.97 52.85 3kit s GLU 163 Cb -0.13 -0.32 -0.02 0.00 -0.44 0.00 0.00 34.13 33.22 3kit s GLU 163 CO 0.85 -0.39 1.11 0.50 0.95 0.00 0.00 175.26 178.29 3kit s ARG 164 N -3.86 4.37 -0.02 -4.83 3.52 -1.26 0.16 118.95 117.04 3kit s ARG 164 Ca 0.34 1.53 0.01 0.00 -0.13 0.00 0.00 55.73 57.48 3kit s ARG 164 Cb 0.06 -3.57 0.01 0.00 -1.56 0.00 0.00 34.95 29.89 3kit s ARG 164 CO 0.16 -0.42 -0.02 0.08 -0.81 0.00 0.00 175.30 174.29 3kit s VAL 165 N 2.27 0.29 -0.16 7.11 1.01 0.76 -4.90 120.40 126.78 3kit s VAL 165 Ca 0.52 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.46 3kit s VAL 165 Cb -0.21 -0.32 0.02 0.00 0.00 0.00 0.00 36.38 35.86 3kit s VAL 165 CO 0.19 0.14 -0.21 -0.89 0.00 0.00 0.00 175.10 174.33 3kit s THR 166 N 0.56 2.05 -0.18 3.92 2.01 -1.26 -0.42 115.64 122.32 3kit s THR 166 Ca -0.06 -0.95 -0.10 0.00 0.31 0.00 0.00 61.69 60.89 3kit s THR 166 Cb -0.09 -1.84 -0.05 0.00 0.01 0.00 0.00 72.50 70.53 3kit s THR 166 CO -0.01 0.54 0.16 0.54 -0.69 0.00 0.00 174.62 175.17 3kit s VAL 167 N 1.12 5.40 0.43 3.82 0.11 -0.18 -4.93 120.40 126.16 3kit s VAL 167 Ca 0.01 0.26 0.08 0.00 -2.93 0.00 0.00 61.98 59.40 3kit s VAL 167 Cb -0.14 -3.49 0.01 0.00 -1.53 0.00 0.00 36.38 31.23 3kit s VAL 167 CO -0.09 0.46 0.54 -0.04 -3.33 0.00 0.00 175.10 172.64 3kit s MET 168 N 0.15 2.74 -1.68 1.54 -1.94 -1.26 -1.57 119.30 117.28 3kit s MET 168 Ca 0.11 -1.33 -0.15 0.00 -1.71 0.00 0.00 55.69 52.60 3kit s MET 168 Cb -0.12 -2.67 0.14 0.00 2.01 0.00 0.00 34.83 34.19 3kit s MET 168 CO 0.00 -0.29 0.64 -1.71 -0.01 0.00 0.00 175.02 173.66 3kit n ASN 169 N -1.81 -2.29 -4.83 3.03 4.05 -1.03 -4.93 115.26 107.45 3kit n ASN 169 Ca 0.07 -1.07 -0.33 0.00 0.45 0.00 0.00 54.58 53.70 3kit n ASN 169 Cb 0.60 -2.51 -0.07 0.00 1.23 0.00 0.00 39.78 39.03 3kit n ASN 169 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3kit s LEU 170 N -7.23 4.03 0.09 1.20 1.02 0.42 -4.73 118.68 113.47 3kit s LEU 170 Ca 0.59 1.47 -0.23 0.00 0.02 0.00 0.00 54.13 55.99 3kit s LEU 170 Cb -0.33 -4.26 -0.07 0.00 0.02 0.00 0.00 46.19 41.56 3kit s LEU 170 CO 0.95 -0.26 0.69 -0.70 0.02 0.00 0.00 176.35 177.04 3kit s GLU 171 N -3.01 4.41 -0.71 1.70 2.12 -1.26 -0.32 118.70 121.63 3kit s GLU 171 Ca 0.57 0.95 -0.24 0.00 0.36 0.00 0.00 54.97 56.61 3kit s GLU 171 Cb -0.10 -3.29 0.06 0.00 0.26 0.00 0.00 34.13 31.06 3kit s GLU 171 CO 0.16 0.50 1.11 0.08 -0.54 0.00 0.00 175.26 176.57 3kit s VAL 172 N -0.76 4.09 0.16 3.70 1.01 0.89 -2.19 120.40 127.30 3kit s VAL 172 Ca 0.34 -0.11 -0.15 0.00 0.00 0.00 0.00 61.98 62.05 3kit s VAL 172 Cb -0.21 -4.79 0.04 0.00 0.00 0.00 0.00 36.38 31.42 3kit s VAL 172 CO 0.22 -1.63 1.81 0.58 0.00 0.00 0.00 175.10 176.08 3kit h VAL 173 N 6.02 1.13 -3.14 2.92 2.07 -0.34 -1.75 116.25 123.17 3kit h VAL 173 Ca -0.25 -0.27 -0.11 0.00 0.82 0.00 0.00 66.70 66.88 3kit h VAL 173 Cb 1.06 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 3kit h VAL 173 CO 1.23 0.13 0.06 -0.67 0.02 0.00 0.00 177.57 178.34 3kit n ASP 174 N -4.74 -1.44 -3.41 0.57 4.64 -1.07 -4.73 116.55 106.37 3kit n ASP 174 Ca 0.02 -2.34 0.02 0.00 -1.38 0.00 0.00 54.79 51.10 3kit n ASP 174 Cb 0.04 2.50 -0.03 0.00 -1.04 0.00 0.00 41.12 42.58 3kit n ASP 174 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3kit s VAL 175 N -2.51 -0.80 -1.00 5.18 0.11 -1.26 -1.97 120.40 118.16 3kit s VAL 175 Ca 0.17 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 59.13 3kit s VAL 175 Cb -0.02 -1.00 0.25 0.00 -1.53 0.00 0.00 36.38 34.08 3kit s VAL 175 CO 0.12 0.00 0.96 -0.63 -3.33 0.00 0.00 175.10 172.22 3kit s ILE 176 N 2.78 5.62 0.32 7.04 1.01 -1.01 -4.89 121.20 132.06 3kit s ILE 176 Ca 0.02 -3.23 0.10 0.00 0.00 0.00 0.00 60.65 57.54 3kit s ILE 176 Cb -0.11 -4.41 0.31 0.00 0.01 0.00 0.00 42.46 38.26 3kit s ILE 176 CO -0.18 -1.12 1.73 1.55 0.00 0.00 0.00 174.94 176.91 3kit h PRO 177 N 6.88 0.55 -0.84 2.79 0.13 -1.95 -1.54 132.00 138.03 3kit h PRO 177 Ca 0.15 -0.03 0.08 0.00 -0.87 0.00 0.00 66.00 65.32 3kit h PRO 177 Cb 0.91 -0.12 -0.10 0.00 0.13 0.00 0.00 31.00 31.82 3kit h PRO 177 CO 0.92 0.37 -0.50 1.49 -0.23 0.00 0.00 178.00 180.04 3kit h GLU 178 N 0.57 -0.01 -0.57 0.86 4.57 -1.95 -2.36 114.58 115.70 3kit h GLU 178 Ca 0.65 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.83 3kit h GLU 178 Cb 1.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 3kit h GLU 178 CO -0.48 -0.00 0.00 -1.91 -1.18 0.00 0.00 179.01 175.43 3kit n GLU 179 N -4.90 3.55 -1.54 1.92 4.07 -0.75 -4.94 120.64 118.05 3kit n GLU 179 Ca 0.02 -2.79 -0.14 0.00 -0.06 0.00 0.00 57.16 54.18 3kit n GLU 179 Cb 0.22 -1.81 -0.05 0.00 -0.06 0.00 0.00 31.44 29.74 3kit n GLU 179 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3kit n ASN 180 N 0.88 -4.64 -4.89 4.31 3.02 -0.66 -4.96 115.26 108.33 3kit n ASN 180 Ca 0.24 0.29 -0.29 0.00 -0.03 0.00 0.00 54.58 54.79 3kit n ASN 180 Cb 0.84 -3.45 -0.00 0.00 -0.61 0.00 0.00 39.78 36.55 3kit n ASN 180 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kit s LEU 181 N -3.34 3.53 -0.04 3.41 1.02 -0.97 -1.72 118.68 120.57 3kit s LEU 181 Ca 0.00 1.12 -0.03 0.00 0.02 0.00 0.00 54.13 55.24 3kit s LEU 181 Cb 0.00 -4.10 0.02 0.00 0.02 0.00 0.00 46.19 42.13 3kit s LEU 181 CO 0.00 -0.64 0.10 -0.22 0.02 0.00 0.00 176.35 175.61 3kit s LEU 182 N -4.74 1.41 -0.16 1.79 2.96 0.18 -2.42 118.68 117.70 3kit s LEU 182 Ca 0.50 0.20 0.01 0.00 -0.22 0.00 0.00 54.13 54.63 3kit s LEU 182 Cb -0.10 0.31 0.02 0.00 0.50 0.00 0.00 46.19 46.91 3kit s LEU 182 CO 0.46 -0.06 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.46 3kit s LEU 183 N 0.35 2.07 0.19 -0.68 1.02 -0.83 -1.35 118.68 119.45 3kit s LEU 183 Ca -0.02 -0.62 0.11 0.00 0.02 0.00 0.00 54.13 53.62 3kit s LEU 183 Cb -0.04 -1.43 -0.04 0.00 0.02 0.00 0.00 46.19 44.70 3kit s LEU 183 CO -0.01 0.02 -0.23 0.68 0.02 0.00 0.00 176.35 176.82 3kit s VAL 184 N 1.18 2.29 -0.19 -1.59 -7.23 -1.13 0.44 120.40 114.17 3kit s VAL 184 Ca 0.02 -2.03 -0.29 0.00 -1.81 0.00 0.00 61.98 57.86 3kit s VAL 184 Cb -0.14 -2.09 -0.34 0.00 0.56 0.00 0.00 36.38 34.37 3kit s VAL 184 CO -0.10 -0.14 1.67 0.29 -0.31 0.00 0.00 175.10 176.51 3kit n LYS 185 N 0.25 0.22 -0.20 4.82 4.76 -0.93 -0.44 118.16 126.65 3kit n LYS 185 Ca -0.12 -1.18 0.00 0.00 -2.87 0.00 0.00 58.31 54.14 3kit n LYS 185 Cb 0.56 -2.67 0.00 0.00 -1.84 0.00 0.00 35.03 31.09 3kit n LYS 185 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kit n GLY 186 N 5.02 0.00 1.49 0.72 0.00 -0.01 -4.83 105.19 107.58 3kit n GLY 186 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.49 3kit n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kit n ALA 187 N -1.20 -2.98 -3.62 4.61 0.00 -1.26 -4.82 120.51 111.24 3kit n ALA 187 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 3kit n ALA 187 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 3kit n ALA 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kit s VAL 188 N -0.95 0.60 1.01 0.00 0.11 -1.26 -4.96 120.40 114.94 3kit s VAL 188 Ca 0.00 -0.15 -0.22 0.00 -2.93 0.00 0.00 61.98 58.68 3kit s VAL 188 Cb 0.00 -0.62 -0.13 0.00 -1.53 0.00 0.00 36.38 34.10 3kit s VAL 188 CO 0.00 0.24 -1.00 -0.81 -3.33 0.00 0.00 175.10 170.20 3kit n PRO 189 N 4.08 -0.19 -0.48 1.54 -0.04 -1.26 -4.88 135.00 133.77 3kit n PRO 189 Ca -0.24 -0.05 0.06 0.00 -0.04 0.00 0.00 63.50 63.23 3kit n PRO 189 Cb 0.51 -1.13 -0.03 0.00 -0.04 0.00 0.00 33.50 32.81 3kit n PRO 189 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kit n GLY 190 N 3.21 -2.67 3.92 0.55 0.00 -1.21 -4.70 105.19 104.29 3kit n GLY 190 Ca -0.01 -1.33 -0.28 0.00 0.00 0.00 0.00 46.02 44.40 3kit n GLY 190 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kit s PRO 191 N -3.14 1.66 0.45 1.61 0.04 -1.26 -4.85 135.00 129.51 3kit s PRO 191 Ca 0.00 -0.23 -0.23 0.00 0.04 0.00 0.00 61.00 60.58 3kit s PRO 191 Cb 0.00 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 32.45 3kit s PRO 191 CO 0.00 -1.70 1.18 -0.80 0.04 0.00 0.00 177.00 175.73 3kit s ASN 192 N -4.66 6.17 -0.15 6.66 0.02 -1.26 -2.49 114.94 119.24 3kit s ASN 192 Ca 0.65 2.36 0.00 0.00 -1.02 0.00 0.00 52.86 54.85 3kit s ASN 192 Cb -0.09 -2.61 0.00 0.00 0.02 0.00 0.00 41.25 38.58 3kit s ASN 192 CO 0.48 -0.92 0.00 0.61 0.02 0.00 0.00 177.10 177.30 3kit n GLY 193 N 0.50 0.51 3.82 0.66 0.00 0.29 -4.99 105.19 105.97 3kit n GLY 193 Ca 0.07 -0.58 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 3kit n GLY 193 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kit s GLY 194 N -2.58 2.07 0.39 -0.02 0.00 -1.04 -4.89 107.32 101.25 3kit s GLY 194 Ca 0.00 -0.96 -0.25 0.00 0.00 0.00 0.00 44.72 43.50 3kit s GLY 194 CO 0.00 -0.94 1.13 -2.27 0.00 0.00 0.00 173.10 171.01 3kit s LEU 195 N -2.42 4.21 -0.04 0.66 2.96 -1.26 -1.27 118.68 121.53 3kit s LEU 195 Ca 0.31 2.25 -0.14 0.00 -0.22 0.00 0.00 54.13 56.33 3kit s LEU 195 Cb -0.12 -4.03 0.02 0.00 0.50 0.00 0.00 46.19 42.56 3kit s LEU 195 CO 0.24 -0.57 0.31 0.68 -1.32 0.00 0.00 176.35 175.68 3kit s VAL 196 N -1.46 0.05 -0.07 1.68 -7.23 -0.75 -4.34 120.40 108.29 3kit s VAL 196 Ca 0.56 -0.39 0.04 0.00 -1.81 0.00 0.00 61.98 60.38 3kit s VAL 196 Cb -0.28 -0.58 -0.02 0.00 0.56 0.00 0.00 36.38 36.06 3kit s VAL 196 CO 0.35 -0.21 -0.18 0.27 -0.31 0.00 0.00 175.10 175.02 3kit s ILE 197 N -1.03 2.67 -0.40 -0.62 -4.36 -1.03 0.57 121.20 116.99 3kit s ILE 197 Ca -0.11 -0.85 -0.01 0.00 -0.26 0.00 0.00 60.65 59.42 3kit s ILE 197 Cb -0.05 -2.03 0.11 0.00 1.25 0.00 0.00 42.46 41.74 3kit s ILE 197 CO 0.03 0.57 0.17 -0.69 0.24 0.00 0.00 174.94 175.27 3kit s VAL 198 N -0.32 3.07 0.36 8.37 1.01 0.44 -1.74 120.40 131.59 3kit s VAL 198 Ca 0.02 -2.13 -0.01 0.00 0.00 0.00 0.00 61.98 59.85 3kit s VAL 198 Cb -0.13 -3.13 0.07 0.00 0.00 0.00 0.00 36.38 33.20 3kit s VAL 198 CO 0.02 -0.67 0.49 0.54 0.00 0.00 0.00 175.10 175.48 3kit n ARG 199 N 4.50 0.13 -4.28 2.72 1.74 -0.91 -1.91 116.66 118.66 3kit n ARG 199 Ca -0.01 -1.23 -0.34 0.00 -0.77 0.00 0.00 57.85 55.51 3kit n ARG 199 Cb 0.41 -0.37 -0.12 0.00 -1.02 0.00 0.00 32.46 31.37 3kit n ARG 199 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3kit s GLU 200 N -3.77 3.73 1.00 5.56 2.12 -1.26 -2.47 118.70 123.61 3kit s GLU 200 Ca 0.32 -0.48 -0.18 0.00 0.36 0.00 0.00 54.97 54.99 3kit s GLU 200 Cb -0.02 -3.00 -0.06 0.00 0.26 0.00 0.00 34.13 31.32 3kit s GLU 200 CO 0.21 0.22 -0.42 -2.37 -0.54 0.00 0.00 175.26 172.37 3kit n THR 201 N 3.63 0.00 -4.82 -1.70 5.66 -1.01 -4.65 114.28 111.39 3kit n THR 201 Ca -0.17 -0.28 -0.33 0.00 -3.05 0.00 0.00 64.05 60.22 3kit n THR 201 Cb 0.52 -0.30 -0.14 0.00 -1.55 0.00 0.00 70.33 68.86 3kit n THR 201 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 3kit s LYS 202 N -2.76 3.14 0.00 1.09 3.01 -1.26 -4.78 119.74 118.17 3kit s LYS 202 Ca 0.47 -0.69 0.00 0.00 -1.01 0.00 0.00 55.97 54.74 3kit s LYS 202 Cb -0.13 -2.56 0.00 0.00 -1.01 0.00 0.00 37.83 34.13 3kit s LYS 202 CO 0.72 0.33 0.00 0.36 0.51 0.00 0.00 175.35 177.27 3kit n LYS 203 N 3.18 0.00 0.00 1.68 -0.00 -1.26 -4.91 118.16 116.85 3kit n LYS 203 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.13 3kit n LYS 203 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.56 3kit n LYS 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40