#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kit n LEU 2 N 0.00 0.00 -4.30 4.03 7.94 -1.26 -4.97 117.00 118.44 3kit n LEU 2 Ca 0.00 0.00 -0.26 0.00 -1.11 0.00 0.00 56.01 54.64 3kit n LEU 2 Cb 0.00 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 43.82 3kit n LEU 2 CO 0.00 0.00 -0.53 0.00 -1.11 0.00 0.00 177.39 175.75 3kit s MET 3 N 0.00 1.31 0.06 1.96 0.23 -1.26 -4.53 119.30 117.06 3kit s MET 3 Ca 0.00 -1.13 -0.37 0.00 -1.03 0.00 0.00 55.69 53.16 3kit s MET 3 Cb 0.00 -1.57 -0.16 0.00 -1.53 0.00 0.00 34.83 31.57 3kit s MET 3 CO 0.00 0.38 1.40 -0.35 -2.03 0.00 0.00 175.02 174.42 3kit n PRO 4 N 1.32 1.22 0.18 3.16 -0.04 -1.26 -4.83 135.00 134.76 3kit n PRO 4 Ca -0.18 0.44 0.13 0.00 -0.04 0.00 0.00 63.50 63.85 3kit n PRO 4 Cb 0.53 -2.10 0.65 0.00 -0.04 0.00 0.00 33.50 32.55 3kit n PRO 4 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kit h ARG 5 N 4.92 0.00 -2.00 0.54 3.08 -1.99 -3.43 114.38 115.50 3kit h ARG 5 Ca -0.47 0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.60 3kit h ARG 5 Cb 1.33 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 31.19 3kit h ARG 5 CO 0.80 0.00 0.37 1.03 -1.07 0.00 0.00 179.97 181.10 3kit s ARG 6 N -3.58 0.88 -0.02 0.04 0.52 -1.26 -5.19 118.95 110.35 3kit s ARG 6 Ca -0.01 0.05 -0.10 0.00 -0.52 0.00 0.00 55.73 55.14 3kit s ARG 6 Cb 0.08 0.41 0.01 0.00 0.52 0.00 0.00 34.95 35.98 3kit s ARG 6 CO 0.29 -0.31 0.22 -1.64 0.02 0.00 0.00 175.30 173.88 3kit s MET 7 N -1.76 0.51 0.17 3.54 -1.94 -1.26 -5.04 119.30 113.51 3kit s MET 7 Ca -0.04 -0.17 0.06 0.00 -1.71 0.00 0.00 55.69 53.83 3kit s MET 7 Cb -0.00 0.22 -0.02 0.00 2.01 0.00 0.00 34.83 37.04 3kit s MET 7 CO 0.01 -0.12 1.38 0.87 -0.01 0.00 0.00 175.02 177.15 3kit h LYS 8 N 4.42 0.07 -4.31 2.03 1.57 -2.03 -3.44 116.57 114.89 3kit h LYS 8 Ca -0.29 -0.09 -0.47 0.00 -1.87 0.00 0.00 60.65 57.92 3kit h LYS 8 Cb 1.19 0.03 -0.34 0.00 0.08 0.00 0.00 32.23 33.19 3kit h LYS 8 CO 0.39 0.91 -0.80 0.71 -0.57 0.00 0.00 179.45 180.09 3kit s TYR 9 N -3.07 1.16 0.20 -1.35 4.12 -1.26 -5.06 117.35 112.09 3kit s TYR 9 Ca -0.01 -0.40 -0.04 0.00 0.02 0.00 0.00 57.07 56.64 3kit s TYR 9 Cb 0.10 -0.91 0.13 0.00 -1.52 0.00 0.00 41.96 39.77 3kit s TYR 9 CO 0.81 -0.25 1.54 -0.09 0.02 0.00 0.00 175.55 177.58 3kit h ARG 10 N 7.11 0.63 -4.81 -0.62 2.43 -2.03 -3.45 114.38 113.64 3kit h ARG 10 Ca -0.34 -0.35 -0.31 0.00 -0.81 0.00 0.00 59.98 58.18 3kit h ARG 10 Cb 1.17 0.02 -0.20 0.00 -0.42 0.00 0.00 29.97 30.54 3kit h ARG 10 CO 0.47 0.95 -0.74 0.15 -1.51 0.00 0.00 179.97 179.29 3kit s LYS 11 N -4.19 0.67 0.02 0.20 1.02 -1.26 -4.87 119.74 111.33 3kit s LYS 11 Ca -0.08 -0.91 0.00 0.00 0.02 0.00 0.00 55.97 55.00 3kit s LYS 11 Cb 0.12 -0.44 -0.02 0.00 -0.52 0.00 0.00 37.83 36.97 3kit s LYS 11 CO 0.84 0.08 -0.03 1.14 -0.92 0.00 0.00 175.35 176.46 3kit s GLN 12 N -2.00 0.34 0.94 1.68 -2.07 -1.26 -5.08 119.66 112.20 3kit s GLN 12 Ca -0.04 -0.65 -0.14 0.00 -1.82 0.00 0.00 55.36 52.72 3kit s GLN 12 Cb -0.08 0.10 -0.00 0.00 -1.09 0.00 0.00 33.01 31.94 3kit s GLN 12 CO 0.00 -0.05 0.22 1.04 -1.32 0.00 0.00 175.29 175.18 3kit n GLN 13 N 1.52 -0.19 -0.01 9.60 6.02 -1.26 -4.91 117.38 128.16 3kit n GLN 13 Ca -0.23 -0.02 -0.17 0.00 -0.01 0.00 0.00 57.00 56.56 3kit n GLN 13 Cb 0.55 -1.71 -0.10 0.00 1.02 0.00 0.00 30.24 30.00 3kit n GLN 13 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kit h ARG 14 N -1.36 0.50 -3.36 -1.09 3.08 -2.01 -3.50 114.38 106.64 3kit h ARG 14 Ca -0.44 -0.47 0.37 0.00 0.07 0.00 0.00 59.98 59.50 3kit h ARG 14 Cb 1.29 0.12 -0.15 0.00 0.08 0.00 0.00 29.97 31.31 3kit h ARG 14 CO 0.33 1.11 -0.95 0.41 -1.07 0.00 0.00 179.97 179.81 3kit n GLY 15 N 0.92 -2.75 0.00 0.04 0.00 -1.26 -4.99 105.19 97.15 3kit n GLY 15 Ca -0.09 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.83 3kit n GLY 15 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kit n ARG 16 N -4.30 3.51 -3.49 1.61 0.63 -1.26 -5.13 116.66 108.23 3kit n ARG 16 Ca -0.05 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.67 3kit n ARG 16 Cb 0.67 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 33.45 3kit n ARG 16 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3kit s LEU 17 N 0.00 0.06 -0.31 6.15 1.43 -1.26 -5.12 118.68 119.62 3kit s LEU 17 Ca 0.00 -0.68 -0.14 0.00 -1.03 0.00 0.00 54.13 52.27 3kit s LEU 17 Cb 0.00 0.18 -0.03 0.00 0.03 0.00 0.00 46.19 46.37 3kit s LEU 17 CO 0.00 -0.38 0.33 -0.54 0.23 0.00 0.00 176.35 175.99 3kit s LYS 18 N 2.26 3.75 0.39 1.70 3.01 -1.26 -5.05 119.74 124.54 3kit s LYS 18 Ca 0.08 -0.29 -0.07 0.00 -1.01 0.00 0.00 55.97 54.68 3kit s LYS 18 Cb -0.15 -3.74 -0.06 0.00 -1.01 0.00 0.00 37.83 32.87 3kit s LYS 18 CO -0.24 -0.39 -0.34 0.41 0.51 0.00 0.00 175.35 175.29 3kit n GLY 19 N 4.91 -1.77 0.50 -3.33 0.00 -1.26 -4.86 105.19 99.38 3kit n GLY 19 Ca -0.10 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3kit n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kit n ALA 20 N -1.01 -2.05 0.00 4.61 0.00 -1.25 -4.85 120.51 115.96 3kit n ALA 20 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3kit n ALA 20 Cb 0.22 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.49 3kit n ALA 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3kit n THR 21 N 0.95 1.06 0.00 0.00 -1.04 -0.98 -4.78 114.28 109.48 3kit n THR 21 Ca 0.00 0.27 0.00 0.00 -2.04 0.00 0.00 64.05 62.28 3kit n THR 21 Cb 0.00 -1.27 0.00 0.00 -1.82 0.00 0.00 70.33 67.24 3kit n THR 21 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3kit n LYS 22 N -1.26 0.00 -4.19 -2.82 4.81 -1.26 -4.62 118.16 108.82 3kit n LYS 22 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 3kit n LYS 22 Cb 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 34.95 3kit n LYS 22 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 3kit s GLY 23 N 0.00 0.85 0.00 3.14 0.00 -1.26 -4.86 107.32 105.19 3kit s GLY 23 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.41 3kit s GLY 23 CO 0.00 -1.41 0.00 0.61 0.00 0.00 0.00 173.10 172.30 3kit n GLY 24 N 0.16 0.81 0.18 0.20 0.00 -1.26 -4.88 105.19 100.40 3kit n GLY 24 Ca -0.13 -0.60 0.07 0.00 0.00 0.00 0.00 46.02 45.36 3kit n GLY 24 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3kit h ASP 25 N 0.00 0.00 -2.46 1.61 2.03 -1.90 -1.45 116.42 114.26 3kit h ASP 25 Ca 0.00 0.00 -0.54 0.00 -0.73 0.00 0.00 57.03 55.76 3kit h ASP 25 Cb 0.27 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.71 3kit h ASP 25 CO 0.00 0.27 -0.54 -0.72 -1.03 0.00 0.00 179.24 177.21 3kit s TYR 26 N -3.09 3.14 0.00 4.15 -0.85 -1.26 -4.62 117.35 114.82 3kit s TYR 26 Ca 0.05 -0.06 0.00 0.00 -0.52 0.00 0.00 57.07 56.54 3kit s TYR 26 Cb 0.06 -1.46 0.00 0.00 0.38 0.00 0.00 41.96 40.94 3kit s TYR 26 CO 0.71 0.52 0.25 0.28 -1.52 0.00 0.00 175.55 175.78 3kit n VAL 27 N -0.76 0.00 -0.65 -3.49 0.31 -1.26 -4.87 118.33 107.61 3kit n VAL 27 Ca -0.08 0.75 0.00 0.00 -0.01 0.00 0.00 64.34 65.00 3kit n VAL 27 Cb 0.56 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.96 3kit n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kit n ALA 28 N -1.87 0.00 -0.86 3.52 0.00 -1.26 -4.83 120.51 115.20 3kit n ALA 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kit n ALA 28 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3kit n ALA 28 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3kit n PHE 29 N -2.00 0.00 -0.38 0.00 3.01 -1.26 -5.16 117.46 111.67 3kit n PHE 29 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3kit n PHE 29 Cb 0.00 0.07 0.00 0.00 -0.01 0.00 0.00 39.48 39.54 3kit n PHE 29 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kit n GLY 30 N 1.13 -0.47 0.12 1.37 0.00 -1.26 -5.01 105.19 101.08 3kit n GLY 30 Ca 0.00 -1.69 -0.17 0.00 0.00 0.00 0.00 46.02 44.17 3kit n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kit n ASP 31 N -0.40 1.57 -4.30 1.61 8.00 -0.96 -4.94 116.55 117.13 3kit n ASP 31 Ca 0.00 0.02 -0.25 0.00 0.71 0.00 0.00 54.79 55.27 3kit n ASP 31 Cb 0.00 -0.25 -0.13 0.00 -0.02 0.00 0.00 41.12 40.72 3kit n ASP 31 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3kit s TYR 32 N -2.53 1.89 0.10 1.24 1.51 -1.05 -4.38 117.35 114.13 3kit s TYR 32 Ca -0.25 -0.41 0.02 0.00 -1.01 0.00 0.00 57.07 55.43 3kit s TYR 32 Cb 0.08 -1.04 -0.04 0.00 -0.11 0.00 0.00 41.96 40.85 3kit s TYR 32 CO 0.70 0.22 -0.08 0.20 -1.11 0.00 0.00 175.55 175.49 3kit s GLY 33 N -1.89 0.80 -0.24 0.71 0.00 -1.14 -2.18 107.32 103.39 3kit s GLY 33 Ca 0.08 -1.31 -0.00 0.00 0.00 0.00 0.00 44.72 43.49 3kit s GLY 33 CO 0.04 -1.40 -0.09 -2.27 0.00 0.00 0.00 173.10 169.38 3kit s LEU 34 N -2.88 3.12 -0.01 0.66 2.96 -0.11 -0.65 118.68 121.78 3kit s LEU 34 Ca 0.10 -0.97 0.03 0.00 -0.22 0.00 0.00 54.13 53.07 3kit s LEU 34 Cb 0.03 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 3kit s LEU 34 CO -0.03 -0.13 -0.07 0.54 -1.32 0.00 0.00 176.35 175.34 3kit s VAL 35 N 1.27 3.63 0.29 1.68 0.11 0.05 -0.19 120.40 127.24 3kit s VAL 35 Ca -0.01 -0.73 -0.29 0.00 -2.93 0.00 0.00 61.98 58.01 3kit s VAL 35 Cb -0.17 -2.56 -0.10 0.00 -1.53 0.00 0.00 36.38 32.03 3kit s VAL 35 CO -0.06 0.43 1.10 0.00 -3.33 0.00 0.00 175.10 173.25 3kit s ALA 36 N -0.96 3.39 -0.03 1.54 0.00 0.22 -2.28 121.76 123.64 3kit s ALA 36 Ca 0.16 0.90 0.09 0.00 0.00 0.00 0.00 51.96 53.11 3kit s ALA 36 Cb -0.11 -3.33 -0.14 0.00 0.00 0.00 0.00 23.12 19.54 3kit s ALA 36 CO 0.06 -0.19 0.16 1.28 0.00 0.00 0.00 175.76 177.08 3kit n LEU 37 N 1.08 0.00 -4.05 0.00 4.77 -0.95 -0.36 117.00 117.49 3kit n LEU 37 Ca -0.01 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.78 3kit n LEU 37 Cb 0.45 0.06 -0.15 0.00 -2.33 0.00 0.00 43.42 41.45 3kit n LEU 37 CO 0.54 0.06 -0.45 -1.61 -1.33 0.00 0.00 177.39 174.60 3kit s GLU 38 N -2.53 0.86 0.57 3.23 2.02 -1.26 -4.70 118.70 116.88 3kit s GLU 38 Ca -0.04 -0.38 -0.20 0.00 0.02 0.00 0.00 54.97 54.38 3kit s GLU 38 Cb 0.05 -0.83 -0.04 0.00 0.10 0.00 0.00 34.13 33.41 3kit s GLU 38 CO 0.38 0.23 1.22 -1.25 0.02 0.00 0.00 175.26 175.85 3kit s PRO 39 N -0.25 3.12 -0.04 0.39 0.04 -1.26 -4.56 135.00 132.44 3kit s PRO 39 Ca 0.04 1.86 -0.31 0.00 0.04 0.00 0.00 61.00 62.63 3kit s PRO 39 Cb -0.04 -2.04 0.12 0.00 0.04 0.00 0.00 34.50 32.58 3kit s PRO 39 CO -0.00 -1.09 1.33 0.00 0.04 0.00 0.00 177.00 177.28 3kit s ALA 40 N -1.56 -2.40 -0.18 8.56 0.00 -0.28 -5.00 121.76 120.90 3kit s ALA 40 Ca 0.75 0.59 -0.06 0.00 0.00 0.00 0.00 51.96 53.24 3kit s ALA 40 Cb -0.31 0.48 -0.03 0.00 0.00 0.00 0.00 23.12 23.25 3kit s ALA 40 CO 0.35 -1.08 0.03 -1.58 0.00 0.00 0.00 175.76 173.47 3kit s TRP 41 N -2.20 3.16 -0.19 0.00 0.51 -1.26 -1.03 118.94 117.92 3kit s TRP 41 Ca 0.19 -0.10 -0.07 0.00 -2.12 0.00 0.00 56.10 53.99 3kit s TRP 41 Cb 0.04 -2.06 -0.04 0.00 -0.81 0.00 0.00 33.47 30.61 3kit s TRP 41 CO -0.04 0.03 0.06 0.42 -0.51 0.00 0.00 176.95 176.92 3kit s ILE 42 N 0.51 4.68 0.27 2.03 1.09 -0.11 -4.81 121.20 124.86 3kit s ILE 42 Ca 0.01 -0.07 -0.24 0.00 -1.10 0.00 0.00 60.65 59.25 3kit s ILE 42 Cb -0.13 -3.12 -0.09 0.00 -1.06 0.00 0.00 42.46 38.06 3kit s ILE 42 CO 0.02 0.44 0.85 0.42 -0.10 0.00 0.00 174.94 176.56 3kit s THR 43 N 0.59 4.35 0.37 2.92 -4.23 -1.26 0.12 115.64 118.50 3kit s THR 43 Ca 0.03 1.63 0.14 0.00 -1.18 0.00 0.00 61.69 62.31 3kit s THR 43 Cb -0.13 -3.98 0.36 0.00 1.34 0.00 0.00 72.50 70.09 3kit s THR 43 CO 0.01 0.22 1.79 0.00 -0.54 0.00 0.00 174.62 176.10 3kit h ALA 44 N 3.42 2.05 0.00 3.99 0.00 -1.72 0.84 119.26 127.84 3kit h ALA 44 Ca -0.47 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 3kit h ALA 44 Cb 1.19 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3kit h ALA 44 CO 0.65 -0.42 -0.06 -0.56 0.00 0.00 0.00 179.25 178.86 3kit h GLN 45 N 0.51 0.00 0.00 0.00 -0.00 -1.91 0.09 115.11 113.79 3kit h GLN 45 Ca 0.56 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 59.19 3kit h GLN 45 Cb 1.25 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.72 3kit h GLN 45 CO -0.30 0.06 -0.16 1.96 -0.00 0.00 0.00 178.83 180.39 3kit h GLN 46 N 0.00 0.00 -0.13 0.06 4.20 0.30 -2.88 115.11 116.66 3kit h GLN 46 Ca -0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 3kit h GLN 46 Cb 0.14 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 3kit h GLN 46 CO 0.01 0.77 -0.14 0.82 -0.67 0.00 0.00 178.83 179.63 3kit h ILE 47 N -1.00 0.00 -0.15 2.54 2.04 -0.75 0.24 117.51 120.43 3kit h ILE 47 Ca -0.04 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.86 3kit h ILE 47 Cb 0.83 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 3kit h ILE 47 CO -0.02 0.00 0.34 -0.08 0.00 0.00 0.00 178.15 178.39 3kit h GLU 48 N -0.08 0.00 0.20 2.37 4.57 -1.16 0.34 114.58 120.83 3kit h GLU 48 Ca 0.02 0.00 -0.29 0.00 -1.18 0.00 0.00 59.36 57.92 3kit h GLU 48 Cb 0.13 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 28.76 3kit h GLU 48 CO -0.16 0.00 -1.24 0.00 -1.18 0.00 0.00 179.01 176.43 3kit h ALA 49 N 1.46 -0.12 -0.19 2.92 0.00 -0.44 -2.43 119.26 120.45 3kit h ALA 49 Ca 0.07 -0.80 -0.13 0.00 0.00 0.00 0.00 54.91 54.05 3kit h ALA 49 Cb 0.75 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3kit h ALA 49 CO -0.00 0.59 -0.40 0.00 0.00 0.00 0.00 179.25 179.44 3kit h ALA 50 N 0.15 0.30 0.46 0.00 0.00 0.12 -1.99 119.26 118.30 3kit h ALA 50 Ca -0.21 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 3kit h ALA 50 Cb 1.97 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.69 3kit h ALA 50 CO 0.23 0.40 -0.49 -0.09 0.00 0.00 0.00 179.25 179.30 3kit h ARG 51 N 0.27 -0.93 -0.07 0.00 2.43 -0.51 -1.70 114.38 113.87 3kit h ARG 51 Ca 0.00 0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.25 3kit h ARG 51 Cb 1.00 0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 30.72 3kit h ARG 51 CO 0.09 -0.62 -0.30 0.28 -1.51 0.00 0.00 179.97 177.91 3kit h VAL 52 N -0.96 0.00 0.00 0.20 2.07 -1.47 0.11 116.25 116.20 3kit h VAL 52 Ca -0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.46 3kit h VAL 52 Cb 0.84 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3kit h VAL 52 CO -0.08 0.00 0.61 0.00 0.02 0.00 0.00 177.57 178.12 3kit h ALA 53 N -0.82 1.53 0.01 1.67 0.00 -1.22 0.67 119.26 121.11 3kit h ALA 53 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kit h ALA 53 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3kit h ALA 53 CO -0.24 -0.53 -0.01 1.98 0.00 0.00 0.00 179.25 180.46 3kit h MET 54 N 0.00 -0.01 0.00 0.00 -1.53 0.18 -2.90 114.93 110.67 3kit h MET 54 Ca 0.00 0.00 -0.00 0.00 -3.44 0.00 0.00 59.70 56.26 3kit h MET 54 Cb 1.22 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 32.28 3kit h MET 54 CO 0.00 0.08 -0.01 -0.39 0.14 0.00 0.00 176.91 176.73 3kit h VAL 55 N -1.00 0.93 -0.62 -5.77 -1.51 -0.52 -0.94 116.25 106.82 3kit h VAL 55 Ca -0.00 -0.04 -0.09 0.00 -1.23 0.00 0.00 66.70 65.34 3kit h VAL 55 Cb 0.10 1.02 -0.02 0.00 -2.13 0.00 0.00 31.29 30.26 3kit h VAL 55 CO 0.00 0.01 0.02 0.03 -1.23 0.00 0.00 177.57 176.41 3kit h ARG 56 N 0.00 1.07 0.45 5.19 2.47 -1.12 -2.86 114.38 119.59 3kit h ARG 56 Ca -0.00 -0.33 -0.02 0.00 -1.26 0.00 0.00 59.98 58.37 3kit h ARG 56 Cb 0.02 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 28.23 3kit h ARG 56 CO 0.00 1.03 -0.30 1.25 0.56 0.00 0.00 179.97 182.51 3kit h HIS 57 N 0.98 -0.81 -3.05 3.04 2.76 -0.95 -3.26 115.15 113.87 3kit h HIS 57 Ca 0.18 -0.01 -0.80 0.00 -2.20 0.00 0.00 60.37 57.55 3kit h HIS 57 Cb 0.53 0.30 -0.29 0.00 1.55 0.00 0.00 27.41 29.50 3kit h HIS 57 CO 0.04 -0.44 0.64 1.97 -1.30 0.00 0.00 177.93 178.83 3kit n PHE 58 N -4.23 3.04 -1.58 5.26 1.16 -1.10 -5.03 117.46 114.97 3kit n PHE 58 Ca -0.09 -2.98 -0.43 0.00 -1.87 0.00 0.00 57.45 52.08 3kit n PHE 58 Cb 0.30 -1.33 -0.00 0.00 -1.61 0.00 0.00 39.48 36.84 3kit n PHE 58 CO 0.00 0.00 0.00 2.89 -1.87 0.00 0.00 176.76 177.78 3kit n ARG 59 N 1.63 1.25 -3.65 3.97 1.85 -1.08 -2.28 116.66 118.35 3kit n ARG 59 Ca 0.26 0.44 -0.30 0.00 -1.00 0.00 0.00 57.85 57.25 3kit n ARG 59 Cb 0.35 -1.89 0.04 0.00 -1.05 0.00 0.00 32.46 29.91 3kit n ARG 59 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3kit n ARG 60 N 0.45 -1.26 0.00 2.89 1.74 -1.26 -4.98 116.66 114.24 3kit n ARG 60 Ca 0.10 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.68 3kit n ARG 60 Cb 0.36 -4.19 0.00 0.00 -1.02 0.00 0.00 32.46 27.61 3kit n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kit n GLY 61 N -1.66 5.24 0.00 -0.13 0.00 -0.96 -5.16 105.19 102.51 3kit n GLY 61 Ca -0.09 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.41 3kit n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kit n GLY 62 N 3.13 -3.15 3.03 -0.02 0.00 -1.24 -5.05 105.19 101.89 3kit n GLY 62 Ca 0.00 -0.81 -0.19 0.00 0.00 0.00 0.00 46.02 45.02 3kit n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kit s LYS 63 N 0.00 0.76 -0.05 1.61 2.20 -1.07 -5.03 119.74 118.16 3kit s LYS 63 Ca 0.00 -0.33 -0.00 0.00 -0.36 0.00 0.00 55.97 55.27 3kit s LYS 63 Cb 0.00 -0.74 -0.03 0.00 -1.51 0.00 0.00 37.83 35.55 3kit s LYS 63 CO 0.00 0.20 -0.00 0.42 -0.36 0.00 0.00 175.35 175.61 3kit s ILE 64 N -0.21 4.22 -0.24 5.43 1.01 -1.26 -2.73 121.20 127.41 3kit s ILE 64 Ca 0.04 -0.39 -0.02 0.00 0.00 0.00 0.00 60.65 60.27 3kit s ILE 64 Cb -0.04 -2.81 0.02 0.00 0.01 0.00 0.00 42.46 39.64 3kit s ILE 64 CO -0.00 0.52 -0.05 -0.36 0.00 0.00 0.00 174.94 175.04 3kit s PHE 65 N -0.96 3.03 -0.62 3.97 0.08 0.19 -5.01 117.98 118.66 3kit s PHE 65 Ca 0.16 -1.39 -0.14 0.00 0.12 0.00 0.00 56.93 55.68 3kit s PHE 65 Cb -0.11 -2.08 0.16 0.00 -0.57 0.00 0.00 43.02 40.42 3kit s PHE 65 CO 0.05 -0.69 0.56 0.96 -0.10 0.00 0.00 175.22 176.00 3kit s ILE 66 N 1.37 5.10 0.34 0.64 -4.36 -1.26 -2.00 121.20 121.02 3kit s ILE 66 Ca 0.02 -1.93 0.16 0.00 -0.26 0.00 0.00 60.65 58.63 3kit s ILE 66 Cb -0.16 -4.24 0.12 0.00 1.25 0.00 0.00 42.46 39.43 3kit s ILE 66 CO -0.04 -0.91 1.83 -0.09 0.24 0.00 0.00 174.94 175.98 3kit h ARG 67 N 8.37 0.00 -6.02 0.37 9.65 -1.57 -3.44 114.38 121.74 3kit h ARG 67 Ca -0.14 0.00 -0.61 0.00 -1.10 0.00 0.00 59.98 58.13 3kit h ARG 67 Cb 1.07 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.60 3kit h ARG 67 CO 0.90 0.35 -0.36 0.96 2.80 0.00 0.00 179.97 184.62 3kit s ILE 68 N -4.06 5.24 -0.06 1.20 -4.36 -1.24 -5.03 121.20 112.89 3kit s ILE 68 Ca -0.02 0.08 -0.01 0.00 -0.26 0.00 0.00 60.65 60.44 3kit s ILE 68 Cb 0.14 -3.60 0.03 0.00 1.25 0.00 0.00 42.46 40.27 3kit s ILE 68 CO 0.70 0.22 0.01 0.12 0.24 0.00 0.00 174.94 176.22 3kit s PHE 69 N -1.46 0.52 -0.71 1.37 5.36 -1.26 -5.09 117.98 116.71 3kit s PHE 69 Ca 0.34 -0.08 -0.26 0.00 -0.96 0.00 0.00 56.93 55.97 3kit s PHE 69 Cb -0.13 -0.67 -0.02 0.00 -0.34 0.00 0.00 43.02 41.86 3kit s PHE 69 CO 0.21 -0.26 1.82 -1.25 -1.46 0.00 0.00 175.22 174.28 3kit s PRO 70 N 1.74 2.69 0.00 10.12 0.04 -1.26 -4.68 135.00 143.65 3kit s PRO 70 Ca 0.01 0.26 0.06 0.00 0.04 0.00 0.00 61.00 61.37 3kit s PRO 70 Cb -0.13 -4.56 0.05 0.00 0.04 0.00 0.00 34.50 29.90 3kit s PRO 70 CO -0.04 -2.82 0.70 -0.40 0.04 0.00 0.00 177.00 174.48 3kit n ASP 71 N 12.63 1.52 -4.62 6.66 5.75 -1.17 -4.15 116.55 133.16 3kit n ASP 71 Ca 0.24 -1.28 -0.39 0.00 -0.01 0.00 0.00 54.79 53.36 3kit n ASP 71 Cb 0.51 -0.01 -0.09 0.00 -1.03 0.00 0.00 41.12 40.50 3kit n ASP 71 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 3kit s LYS 72 N -0.50 4.06 0.04 0.11 2.20 -1.03 -4.93 119.74 119.69 3kit s LYS 72 Ca 0.07 0.06 -0.31 0.00 -0.36 0.00 0.00 55.97 55.44 3kit s LYS 72 Cb 0.05 -3.62 -0.06 0.00 -1.51 0.00 0.00 37.83 32.69 3kit s LYS 72 CO 0.07 -0.20 1.29 -2.14 -0.36 0.00 0.00 175.35 174.01 3kit s PRO 73 N 1.84 4.36 -0.19 4.03 0.02 -1.26 -0.37 135.00 143.43 3kit s PRO 73 Ca 0.16 1.87 -0.12 0.00 0.02 0.00 0.00 61.00 62.93 3kit s PRO 73 Cb -0.15 -3.41 -0.05 0.00 0.02 0.00 0.00 34.50 30.91 3kit s PRO 73 CO 0.09 -0.40 0.22 -0.47 -0.33 0.00 0.00 177.00 176.11 3kit s TYR 74 N 1.55 3.41 0.03 6.54 5.04 0.28 -4.59 117.35 129.62 3kit s TYR 74 Ca 0.61 0.44 0.01 0.00 -2.44 0.00 0.00 57.07 55.69 3kit s TYR 74 Cb -0.31 -2.27 -0.04 0.00 0.35 0.00 0.00 41.96 39.69 3kit s TYR 74 CO 0.28 0.22 0.06 0.99 -1.34 0.00 0.00 175.55 175.76 3kit s THR 75 N 0.56 4.54 -0.24 4.34 2.01 -1.26 0.48 115.64 126.07 3kit s THR 75 Ca 0.12 -0.59 -0.06 0.00 0.31 0.00 0.00 61.69 61.47 3kit s THR 75 Cb -0.12 -3.11 0.12 0.00 0.01 0.00 0.00 72.50 69.39 3kit s THR 75 CO 0.02 0.26 0.47 -0.75 -0.69 0.00 0.00 174.62 173.93 3kit s LYS 76 N -1.97 0.40 0.83 4.92 2.47 -0.39 -4.85 119.74 121.15 3kit s LYS 76 Ca 0.25 0.99 -0.10 0.00 -1.56 0.00 0.00 55.97 55.55 3kit s LYS 76 Cb -0.12 0.27 0.10 0.00 -1.46 0.00 0.00 37.83 36.61 3kit s LYS 76 CO 0.17 -0.37 1.12 0.15 0.16 0.00 0.00 175.35 176.58 3kit s LYS 77 N 2.67 1.69 1.31 4.03 1.02 -1.26 -3.32 119.74 125.89 3kit s LYS 77 Ca 0.03 1.36 -0.19 0.00 0.02 0.00 0.00 55.97 57.19 3kit s LYS 77 Cb -0.13 -1.82 0.31 0.00 -0.52 0.00 0.00 37.83 35.67 3kit s LYS 77 CO -0.15 -2.10 0.78 -2.30 -0.92 0.00 0.00 175.35 170.66 3kit n PRO 78 N -3.82 -3.63 -3.02 -1.68 -0.02 -1.26 -4.95 135.00 116.62 3kit n PRO 78 Ca 0.10 -1.06 -0.35 0.00 -2.02 0.00 0.00 63.50 60.17 3kit n PRO 78 Cb 0.52 -1.92 -0.06 0.00 -0.02 0.00 0.00 33.50 32.02 3kit n PRO 78 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3kit s LEU 79 N -6.25 4.26 -1.52 2.45 1.43 -1.26 -4.20 118.68 113.59 3kit s LEU 79 Ca 0.63 1.50 -0.11 0.00 -1.03 0.00 0.00 54.13 55.12 3kit s LEU 79 Cb -0.16 -3.83 0.08 0.00 0.03 0.00 0.00 46.19 42.31 3kit s LEU 79 CO 0.58 -0.06 0.81 -0.62 0.23 0.00 0.00 176.35 177.29 3kit n GLU 80 N 0.40 -4.55 -4.34 1.70 1.02 -1.26 -4.98 120.64 108.63 3kit n GLU 80 Ca 0.00 0.52 -0.24 0.00 -0.02 0.00 0.00 57.16 57.42 3kit n GLU 80 Cb 0.51 -5.21 -0.08 0.00 -0.02 0.00 0.00 31.44 26.64 3kit n GLU 80 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3kit s VAL 81 N -3.45 2.79 0.18 2.62 -7.23 -1.26 -5.14 120.40 108.91 3kit s VAL 81 Ca 0.49 -2.02 -0.02 0.00 -1.81 0.00 0.00 61.98 58.62 3kit s VAL 81 Cb -0.25 -2.74 0.04 0.00 0.56 0.00 0.00 36.38 33.99 3kit s VAL 81 CO 0.86 -0.27 0.25 0.54 -0.31 0.00 0.00 175.10 176.17 3kit n ARG 82 N -0.90 0.13 -1.95 4.82 1.74 -1.26 -5.05 116.66 114.20 3kit n ARG 82 Ca -0.05 -0.53 -0.29 0.00 -0.77 0.00 0.00 57.85 56.21 3kit n ARG 82 Cb 0.61 -0.21 0.07 0.00 -1.02 0.00 0.00 32.46 31.91 3kit n ARG 82 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3kit s MET 83 N -3.26 2.41 0.06 5.56 -1.94 -1.26 -4.96 119.30 115.90 3kit s MET 83 Ca 0.15 0.22 0.00 0.00 -1.71 0.00 0.00 55.69 54.35 3kit s MET 83 Cb -0.01 -2.02 0.00 0.00 2.01 0.00 0.00 34.83 34.81 3kit s MET 83 CO 0.10 -1.28 0.00 0.41 -0.01 0.00 0.00 175.02 174.24 3kit n GLY 84 N -3.11 -1.43 1.37 -0.03 0.00 -1.26 -5.01 105.19 95.71 3kit n GLY 84 Ca 0.07 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.62 3kit n GLY 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kit n LYS 85 N -1.65 0.00 0.00 1.61 4.01 -1.26 -4.94 118.16 115.93 3kit n LYS 85 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3kit n LYS 85 Cb 0.11 -2.49 0.00 0.00 -0.51 0.00 0.00 35.03 32.14 3kit n LYS 85 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3kit n GLY 86 N -0.62 -1.62 3.80 0.72 0.00 -1.26 -4.93 105.19 101.27 3kit n GLY 86 Ca 0.00 -1.55 -0.33 0.00 0.00 0.00 0.00 46.02 44.14 3kit n GLY 86 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kit s LYS 87 N -2.09 3.41 0.00 1.61 2.20 -1.26 -5.04 119.74 118.57 3kit s LYS 87 Ca 0.00 1.25 0.00 0.00 -0.36 0.00 0.00 55.97 56.86 3kit s LYS 87 Cb 0.00 -2.04 0.00 0.00 -1.51 0.00 0.00 37.83 34.28 3kit s LYS 87 CO 0.00 -0.74 0.00 0.41 -0.36 0.00 0.00 175.35 174.66 3kit n GLY 88 N -0.81 -2.15 4.00 5.54 0.00 -1.26 -5.03 105.19 105.48 3kit n GLY 88 Ca 0.09 -1.43 -0.23 0.00 0.00 0.00 0.00 46.02 44.45 3kit n GLY 88 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kit s ASN 89 N -1.48 4.36 -0.22 1.61 -0.87 -1.21 -4.80 114.94 112.34 3kit s ASN 89 Ca 0.00 -0.44 -0.11 0.00 -1.57 0.00 0.00 52.86 50.75 3kit s ASN 89 Cb 0.00 0.08 -0.05 0.00 -0.02 0.00 0.00 41.25 41.26 3kit s ASN 89 CO 0.00 -1.86 0.16 -0.69 -2.57 0.00 0.00 177.10 172.14 3kit s VAL 90 N -3.12 5.37 -0.20 1.60 1.01 -1.26 -1.26 120.40 122.55 3kit s VAL 90 Ca 0.66 0.22 0.17 0.00 0.00 0.00 0.00 61.98 63.03 3kit s VAL 90 Cb -0.05 -3.50 -0.24 0.00 0.00 0.00 0.00 36.38 32.59 3kit s VAL 90 CO 0.44 0.38 0.05 -0.62 0.00 0.00 0.00 175.10 175.36 3kit n GLU 91 N 3.95 0.78 0.00 2.72 1.02 0.18 -4.93 120.64 124.35 3kit n GLU 91 Ca -0.15 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 3kit n GLU 91 Cb 0.52 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 3kit n GLU 91 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kit n GLY 92 N 1.81 2.26 2.90 0.62 0.00 -1.23 -5.00 105.19 106.55 3kit n GLY 92 Ca -0.33 -0.70 -0.15 0.00 0.00 0.00 0.00 46.02 44.85 3kit n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kit s TYR 93 N -2.62 0.32 0.31 1.61 1.51 -1.26 -0.56 117.35 116.66 3kit s TYR 93 Ca 0.00 -0.05 0.10 0.00 -1.01 0.00 0.00 57.07 56.11 3kit s TYR 93 Cb 0.00 -0.26 -0.05 0.00 -0.11 0.00 0.00 41.96 41.54 3kit s TYR 93 CO 0.00 -0.04 -0.07 0.14 -1.11 0.00 0.00 175.55 174.47 3kit s VAL 94 N 0.22 2.65 -0.19 0.71 -7.23 0.50 -1.87 120.40 115.19 3kit s VAL 94 Ca -0.02 -2.13 -0.01 0.00 -1.81 0.00 0.00 61.98 58.01 3kit s VAL 94 Cb -0.05 -2.63 0.00 0.00 0.56 0.00 0.00 36.38 34.26 3kit s VAL 94 CO -0.00 -0.29 -0.12 0.00 -0.31 0.00 0.00 175.10 174.38 3kit s ALA 95 N -2.50 2.59 0.15 1.32 0.00 0.33 -2.46 121.76 121.19 3kit s ALA 95 Ca 0.32 -1.14 -0.31 0.00 0.00 0.00 0.00 51.96 50.83 3kit s ALA 95 Cb -0.02 -1.41 -0.08 0.00 0.00 0.00 0.00 23.12 21.60 3kit s ALA 95 CO 0.18 -0.29 1.38 0.08 0.00 0.00 0.00 175.76 177.11 3kit s VAL 96 N 1.22 3.17 -0.20 0.00 1.01 -1.26 -0.94 120.40 123.40 3kit s VAL 96 Ca 0.02 0.88 -0.04 0.00 0.00 0.00 0.00 61.98 62.85 3kit s VAL 96 Cb -0.14 -3.56 0.07 0.00 0.00 0.00 0.00 36.38 32.74 3kit s VAL 96 CO -0.05 0.09 0.07 -0.69 0.00 0.00 0.00 175.10 174.52 3kit s VAL 97 N 0.72 0.20 0.41 2.92 1.01 -0.20 -4.95 120.40 120.50 3kit s VAL 97 Ca 0.62 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.17 3kit s VAL 97 Cb -0.38 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.14 3kit s VAL 97 CO 0.34 -0.32 0.62 -0.54 0.00 0.00 0.00 175.10 175.20 3kit s LYS 98 N 2.00 3.25 -0.05 2.72 1.02 -1.26 -1.13 119.74 126.29 3kit s LYS 98 Ca 0.02 -0.42 -0.34 0.00 0.02 0.00 0.00 55.97 55.24 3kit s LYS 98 Cb -0.16 -2.60 -0.12 0.00 -0.52 0.00 0.00 37.83 34.42 3kit s LYS 98 CO -0.12 -0.09 1.81 -2.30 -0.92 0.00 0.00 175.35 173.73 3kit n PRO 99 N -1.95 2.11 0.00 -1.68 -0.02 -1.26 -2.90 135.00 129.30 3kit n PRO 99 Ca -0.01 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3kit n PRO 99 Cb 0.57 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 3kit n PRO 99 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kit n GLY 100 N 4.19 0.77 3.74 -1.23 0.00 0.52 -2.32 105.19 110.86 3kit n GLY 100 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 3kit n GLY 100 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kit s ARG 101 N -0.46 4.75 -0.66 1.61 6.06 -1.14 -4.20 118.95 124.91 3kit s ARG 101 Ca 0.00 1.42 -0.24 0.00 -2.50 0.00 0.00 55.73 54.41 3kit s ARG 101 Cb 0.00 -3.32 0.06 0.00 0.06 0.00 0.00 34.95 31.74 3kit s ARG 101 CO 0.00 0.38 1.03 0.08 -2.50 0.00 0.00 175.30 174.29 3kit s VAL 102 N -0.61 4.20 -0.04 7.11 1.01 -0.55 -0.61 120.40 130.92 3kit s VAL 102 Ca 0.43 -0.13 -0.24 0.00 0.00 0.00 0.00 61.98 62.04 3kit s VAL 102 Cb -0.24 -4.72 -0.23 0.00 0.00 0.00 0.00 36.38 31.19 3kit s VAL 102 CO 0.30 -1.51 1.05 0.24 0.00 0.00 0.00 175.10 175.19 3kit h MET 103 N 9.64 0.20 -5.45 2.72 0.00 -0.90 -3.43 114.93 117.71 3kit h MET 103 Ca -0.28 -0.21 -0.42 0.00 0.00 0.00 0.00 59.70 58.78 3kit h MET 103 Cb 1.07 0.06 -0.18 0.00 0.00 0.00 0.00 31.60 32.54 3kit h MET 103 CO 1.19 0.93 -0.76 -0.06 0.00 0.00 0.00 176.91 178.21 3kit s PHE 104 N -3.19 1.44 -0.11 -0.22 0.40 -1.13 -1.64 117.98 113.53 3kit s PHE 104 Ca -0.15 -0.56 -0.09 0.00 -0.60 0.00 0.00 56.93 55.53 3kit s PHE 104 Cb 0.01 -0.74 0.03 0.00 0.51 0.00 0.00 43.02 42.83 3kit s PHE 104 CO 0.75 0.16 0.28 -1.21 0.70 0.00 0.00 175.22 175.90 3kit s GLU 105 N -2.77 0.30 0.00 0.44 2.02 -0.85 -0.94 118.70 116.91 3kit s GLU 105 Ca 0.10 0.44 0.02 0.00 0.02 0.00 0.00 54.97 55.55 3kit s GLU 105 Cb -0.04 0.08 -0.01 0.00 0.10 0.00 0.00 34.13 34.26 3kit s GLU 105 CO 0.03 -0.07 -0.05 0.14 0.02 0.00 0.00 175.26 175.32 3kit s VAL 106 N 0.48 0.42 0.20 2.63 -7.23 -0.93 0.53 120.40 116.50 3kit s VAL 106 Ca -0.03 -0.33 -0.01 0.00 -1.81 0.00 0.00 61.98 59.81 3kit s VAL 106 Cb -0.04 -0.37 -0.04 0.00 0.56 0.00 0.00 36.38 36.48 3kit s VAL 106 CO -0.02 0.05 0.12 0.00 -0.31 0.00 0.00 175.10 174.93 3kit s ALA 107 N -0.29 1.24 -0.54 1.32 0.00 -1.11 -2.28 121.76 120.11 3kit s ALA 107 Ca 0.00 -1.71 -0.02 0.00 0.00 0.00 0.00 51.96 50.23 3kit s ALA 107 Cb -0.03 1.28 0.00 0.00 0.00 0.00 0.00 23.12 24.38 3kit s ALA 107 CO -0.00 -0.56 0.32 0.41 0.00 0.00 0.00 175.76 175.93 3kit n GLY 108 N -0.29 0.32 3.26 0.00 0.00 -1.26 -2.59 105.19 104.63 3kit n GLY 108 Ca 0.01 -0.40 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 3kit n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kit s VAL 109 N -2.93 0.08 0.56 1.61 1.01 -1.26 -3.70 120.40 115.78 3kit s VAL 109 Ca 0.16 -0.68 -0.21 0.00 0.00 0.00 0.00 61.98 61.25 3kit s VAL 109 Cb -0.07 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 3kit s VAL 109 CO 0.20 -0.38 1.36 1.07 0.00 0.00 0.00 175.10 177.35 3kit n THR 110 N 0.47 4.04 -0.34 3.92 5.66 -1.26 -4.78 114.28 121.99 3kit n THR 110 Ca -0.18 -0.50 0.12 0.00 -3.05 0.00 0.00 64.05 60.44 3kit n THR 110 Cb 0.60 -1.65 0.32 0.00 -1.55 0.00 0.00 70.33 68.05 3kit n THR 110 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 3kit h GLU 111 N 1.29 0.78 -0.61 1.09 4.81 -2.01 -0.34 114.58 119.59 3kit h GLU 111 Ca -0.51 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 58.61 3kit h GLU 111 Cb 1.31 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 3kit h GLU 111 CO 0.56 0.51 0.15 1.49 -0.73 0.00 0.00 179.01 180.99 3kit h GLU 112 N 0.80 0.98 0.00 1.92 4.81 -2.00 -2.22 114.58 118.87 3kit h GLU 112 Ca 0.54 -0.24 -0.03 0.00 -0.13 0.00 0.00 59.36 59.50 3kit h GLU 112 Cb 0.79 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.04 3kit h GLU 112 CO -0.32 0.89 -0.15 1.96 -0.73 0.00 0.00 179.01 180.66 3kit h GLN 113 N 0.89 0.00 0.06 1.92 4.20 -1.45 -2.36 115.11 118.37 3kit h GLN 113 Ca 0.19 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.90 3kit h GLN 113 Cb 0.36 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.14 3kit h GLN 113 CO 0.00 0.15 -0.03 0.00 -0.67 0.00 0.00 178.83 178.29 3kit h ALA 114 N 1.85 -0.08 -0.35 3.87 0.00 -0.99 -2.12 119.26 121.44 3kit h ALA 114 Ca -0.00 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.77 3kit h ALA 114 Cb 0.60 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.33 3kit h ALA 114 CO 0.02 -0.10 -0.45 0.52 0.00 0.00 0.00 179.25 179.25 3kit h MET 115 N -0.98 -0.36 -0.34 0.00 2.86 -1.40 0.19 114.93 114.91 3kit h MET 115 Ca -0.01 0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 3kit h MET 115 Cb 0.43 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 3kit h MET 115 CO 0.01 -0.24 -0.00 1.49 1.06 0.00 0.00 176.91 179.23 3kit h GLU 116 N -0.37 0.52 -0.00 1.72 4.57 -1.57 -0.93 114.58 118.51 3kit h GLU 116 Ca 0.12 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3kit h GLU 116 Cb 0.60 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.11 3kit h GLU 116 CO -0.54 0.55 0.00 0.00 -1.18 0.00 0.00 179.01 177.84 3kit h ALA 117 N 1.51 0.01 -0.11 2.92 0.00 -0.40 -2.93 119.26 120.25 3kit h ALA 117 Ca 0.11 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3kit h ALA 117 Cb 0.33 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3kit h ALA 117 CO 0.01 -0.35 -0.27 -0.07 0.00 0.00 0.00 179.25 178.57 3kit h LEU 118 N -0.28 0.19 -0.93 0.00 3.38 -0.56 -2.88 115.31 114.24 3kit h LEU 118 Ca 0.00 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.93 3kit h LEU 118 Cb 0.29 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 3kit h LEU 118 CO 0.00 0.47 0.61 -0.09 0.09 0.00 0.00 178.44 179.52 3kit h ARG 119 N 0.18 1.19 -0.29 1.13 2.43 -1.03 -1.56 114.38 116.41 3kit h ARG 119 Ca 0.03 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 59.03 3kit h ARG 119 Cb 0.58 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 3kit h ARG 119 CO 0.04 0.78 -0.24 0.82 -1.51 0.00 0.00 179.97 179.87 3kit h ILE 120 N 1.22 1.27 -0.46 1.20 1.08 -1.34 -3.05 117.51 117.44 3kit h ILE 120 Ca 0.35 -1.28 -0.00 0.00 -0.39 0.00 0.00 64.86 63.54 3kit h ILE 120 Cb -0.09 1.30 -0.02 0.00 -3.07 0.00 0.00 36.82 34.95 3kit h ILE 120 CO -0.09 0.41 0.28 0.00 -0.69 0.00 0.00 178.15 178.07 3kit h ALA 121 N 1.24 0.58 0.00 1.87 0.00 -1.20 -2.14 119.26 119.61 3kit h ALA 121 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kit h ALA 121 Cb 0.68 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3kit h ALA 121 CO 0.05 0.06 0.00 0.78 0.00 0.00 0.00 179.25 180.14 3kit h GLY 122 N 0.61 0.00 1.85 0.00 0.00 -1.31 -0.04 103.07 104.18 3kit h GLY 122 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 3kit h GLY 122 CO -0.03 0.00 -0.14 0.45 0.00 0.00 0.00 176.54 176.82 3kit h HIS 123 N 0.00 0.00 -0.01 5.60 -0.00 -1.33 -2.96 115.15 116.45 3kit h HIS 123 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3kit h HIS 123 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.64 3kit h HIS 123 CO 0.00 0.00 -0.57 1.63 -0.00 0.00 0.00 177.93 178.99 3kit n LYS 124 N -2.67 0.61 -3.66 2.45 4.76 -0.06 -4.91 118.16 114.68 3kit n LYS 124 Ca 0.04 -0.45 -0.37 0.00 -2.87 0.00 0.00 58.31 54.66 3kit n LYS 124 Cb 0.49 -1.49 -0.06 0.00 -1.84 0.00 0.00 35.03 32.13 3kit n LYS 124 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3kit s LEU 125 N -2.71 4.42 0.00 -0.35 1.43 -1.00 -4.88 118.68 115.59 3kit s LEU 125 Ca 0.16 0.74 0.00 0.00 -1.03 0.00 0.00 54.13 54.00 3kit s LEU 125 Cb 0.18 -2.52 0.00 0.00 0.03 0.00 0.00 46.19 43.88 3kit s LEU 125 CO 0.66 0.31 0.28 -0.81 0.23 0.00 0.00 176.35 177.03 3kit n PRO 126 N 1.61 0.36 -1.11 1.29 -0.04 -1.26 -4.78 135.00 131.07 3kit n PRO 126 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 3kit n PRO 126 Cb 0.53 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 3kit n PRO 126 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3kit n ILE 127 N -0.16 0.00 -3.81 0.52 -5.35 -1.26 -5.08 119.36 104.22 3kit n ILE 127 Ca 0.00 0.00 -0.31 0.00 -0.27 0.00 0.00 62.75 62.17 3kit n ILE 127 Cb 0.04 0.00 -0.04 0.00 -1.74 0.00 0.00 39.64 37.89 3kit n ILE 127 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 3kit s LYS 128 N -0.86 3.52 0.27 6.28 1.02 -1.26 -4.92 119.74 123.78 3kit s LYS 128 Ca 0.00 -0.28 0.02 0.00 0.02 0.00 0.00 55.97 55.73 3kit s LYS 128 Cb 0.00 -2.97 -0.01 0.00 -0.52 0.00 0.00 37.83 34.34 3kit s LYS 128 CO 0.00 0.56 0.09 0.25 -0.92 0.00 0.00 175.35 175.32 3kit n THR 129 N 0.25 0.00 -3.56 2.17 -2.24 -1.26 -2.24 114.28 107.40 3kit n THR 129 Ca -0.04 -1.52 -0.16 0.00 -2.27 0.00 0.00 64.05 60.06 3kit n THR 129 Cb 0.51 0.53 -0.06 0.00 -2.10 0.00 0.00 70.33 69.21 3kit n THR 129 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3kit s LYS 130 N -3.00 0.94 0.17 -0.78 2.20 -0.97 -4.88 119.74 113.41 3kit s LYS 130 Ca 0.12 0.45 0.07 0.00 -0.36 0.00 0.00 55.97 56.25 3kit s LYS 130 Cb 0.01 0.45 -0.04 0.00 -1.51 0.00 0.00 37.83 36.73 3kit s LYS 130 CO 0.09 -0.25 0.02 0.42 -0.36 0.00 0.00 175.35 175.27 3kit s ILE 131 N -0.73 3.84 0.30 5.43 1.01 -1.26 -0.77 121.20 129.02 3kit s ILE 131 Ca -0.07 -1.36 0.07 0.00 0.00 0.00 0.00 60.65 59.28 3kit s ILE 131 Cb -0.01 -2.93 -0.02 0.00 0.01 0.00 0.00 42.46 39.50 3kit s ILE 131 CO 0.06 -0.11 0.26 1.33 0.00 0.00 0.00 174.94 176.49 3kit n VAL 132 N -0.14 0.00 0.00 2.92 0.24 0.18 -4.93 118.33 116.60 3kit n VAL 132 Ca -0.09 -2.14 0.00 0.00 -2.04 0.00 0.00 64.34 60.06 3kit n VAL 132 Cb 0.55 1.08 0.00 0.00 -1.47 0.00 0.00 33.84 34.00 3kit n VAL 132 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 3kit n ARG 133 N -0.56 0.00 -1.08 7.34 0.63 -1.26 -2.86 116.66 118.86 3kit n ARG 133 Ca 0.07 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 56.99 3kit n ARG 133 Cb 0.54 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.45 3kit n ARG 133 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3kit n ARG 134 N 0.00 0.07 0.00 -0.14 5.12 -1.26 -4.36 116.66 116.09 3kit n ARG 134 Ca 0.00 -0.12 0.00 0.00 -1.93 0.00 0.00 57.85 55.80 3kit n ARG 134 Cb 0.00 0.28 0.00 0.00 -1.16 0.00 0.00 32.46 31.58 3kit n ARG 134 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3kit n ASP 135 N -0.08 0.00 -0.03 0.55 8.00 -1.26 -4.38 116.55 119.35 3kit n ASP 135 Ca -0.02 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.55 3kit n ASP 135 Cb 0.42 0.00 0.40 0.00 -0.02 0.00 0.00 41.12 41.92 3kit n ASP 135 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kit n ALA 136 N -3.00 2.58 -0.87 2.24 0.00 -1.26 -4.46 120.51 115.74 3kit n ALA 136 Ca 0.00 -0.11 -0.23 0.00 0.00 0.00 0.00 53.44 53.10 3kit n ALA 136 Cb 0.00 -1.21 -0.05 0.00 0.00 0.00 0.00 19.45 18.19 3kit n ALA 136 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kit n TYR 137 N -0.65 1.25 -3.40 0.00 0.53 -1.26 -4.54 117.16 109.09 3kit n TYR 137 Ca 0.11 -2.00 -0.26 0.00 -1.02 0.00 0.00 57.90 54.72 3kit n TYR 137 Cb 0.06 -1.76 -0.09 0.00 -1.03 0.00 0.00 39.34 36.52 3kit n TYR 137 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 3kit n ASP 138 N 3.63 0.52 -1.53 7.72 8.00 -1.26 -4.55 116.55 129.07 3kit n ASP 138 Ca 0.49 -2.67 0.07 0.00 0.71 0.00 0.00 54.79 53.40 3kit n ASP 138 Cb 0.30 -0.61 0.33 0.00 -0.02 0.00 0.00 41.12 41.11 3kit n ASP 138 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3kit n GLU 139 N 2.13 3.74 0.00 -1.24 4.71 -1.26 -5.22 120.64 123.49 3kit n GLU 139 Ca 0.26 -2.57 0.04 0.00 -0.01 0.00 0.00 57.16 54.88 3kit n GLU 139 Cb 0.47 -1.94 0.03 0.00 -1.01 0.00 0.00 31.44 28.99 3kit n GLU 139 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22