#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kit n PRO 2 N 0.00 0.03 -0.17 0.03 -0.04 -1.26 -4.85 135.00 128.74 3kit n PRO 2 Ca 0.00 -1.21 -0.05 0.00 -0.04 0.00 0.00 63.50 62.19 3kit n PRO 2 Cb 0.00 -2.96 0.00 0.00 -0.04 0.00 0.00 33.50 30.50 3kit n PRO 2 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3kit n ARG 3 N 7.86 0.00 -4.63 0.54 1.74 -0.48 -4.53 116.66 117.16 3kit n ARG 3 Ca 0.43 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 57.17 3kit n ARG 3 Cb 0.43 -0.14 -0.12 0.00 -1.02 0.00 0.00 32.46 31.62 3kit n ARG 3 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3kit s LEU 4 N 0.73 3.09 -0.33 0.55 1.43 -0.51 -1.61 118.68 122.03 3kit s LEU 4 Ca 0.08 -0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.12 3kit s LEU 4 Cb -0.07 -1.68 0.10 0.00 0.03 0.00 0.00 46.19 44.57 3kit s LEU 4 CO 0.09 0.31 0.04 -0.75 0.23 0.00 0.00 176.35 176.27 3kit s LYS 5 N -0.48 1.45 -0.19 1.70 2.20 -0.46 -0.48 119.74 123.49 3kit s LYS 5 Ca 0.07 -1.73 -0.13 0.00 -0.36 0.00 0.00 55.97 53.82 3kit s LYS 5 Cb -0.12 -3.04 -0.05 0.00 -1.51 0.00 0.00 37.83 33.12 3kit s LYS 5 CO 0.02 -0.91 0.25 0.14 -0.36 0.00 0.00 175.35 174.49 3kit s VAL 6 N 1.01 5.32 -0.23 4.02 -7.23 -0.96 -1.50 120.40 120.83 3kit s VAL 6 Ca 0.09 0.43 0.02 0.00 -1.81 0.00 0.00 61.98 60.71 3kit s VAL 6 Cb -0.19 -3.59 0.04 0.00 0.56 0.00 0.00 36.38 33.20 3kit s VAL 6 CO -0.10 0.37 -0.14 -0.75 -0.31 0.00 0.00 175.10 174.17 3kit s LYS 7 N 0.71 2.57 -0.29 4.82 2.20 -0.86 -1.04 119.74 127.85 3kit s LYS 7 Ca 0.13 -1.12 -0.29 0.00 -0.36 0.00 0.00 55.97 54.33 3kit s LYS 7 Cb -0.13 -2.78 -0.02 0.00 -1.51 0.00 0.00 37.83 33.39 3kit s LYS 7 CO 0.03 -0.42 1.64 -1.17 -0.36 0.00 0.00 175.35 175.08 3kit s LEU 8 N 1.19 3.71 0.00 5.43 1.98 -1.03 -1.65 118.68 128.31 3kit s LEU 8 Ca -0.03 1.38 0.02 0.00 -2.89 0.00 0.00 54.13 52.61 3kit s LEU 8 Cb -0.17 -3.53 0.04 0.00 0.66 0.00 0.00 46.19 43.19 3kit s LEU 8 CO -0.08 -1.44 0.93 1.33 -1.89 0.00 0.00 176.35 175.20 3kit n VAL 9 N 6.87 0.76 -3.73 1.68 0.24 0.82 0.47 118.33 125.45 3kit n VAL 9 Ca 0.20 -0.88 -0.15 0.00 -2.04 0.00 0.00 64.34 61.47 3kit n VAL 9 Cb 0.46 0.63 -0.15 0.00 -1.47 0.00 0.00 33.84 33.31 3kit n VAL 9 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3kit s LYS 10 N -0.80 0.05 0.10 7.34 2.20 -0.82 -4.94 119.74 122.87 3kit s LYS 10 Ca 0.03 0.38 -0.33 0.00 -0.36 0.00 0.00 55.97 55.69 3kit s LYS 10 Cb 0.02 -0.22 -0.13 0.00 -1.51 0.00 0.00 37.83 35.99 3kit s LYS 10 CO 0.03 -0.20 1.70 0.45 -0.36 0.00 0.00 175.35 176.96 3kit n SER 11 N 4.44 3.36 0.00 1.43 2.88 -1.26 -4.83 113.62 119.64 3kit n SER 11 Ca -0.22 1.04 0.15 0.00 -1.33 0.00 0.00 58.87 58.51 3kit n SER 11 Cb 0.51 -1.44 0.87 0.00 -0.75 0.00 0.00 64.21 63.41 3kit n SER 11 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3kit n PRO 12 N 4.55 0.78 -1.58 -1.46 -0.04 -1.26 -4.82 135.00 131.18 3kit n PRO 12 Ca 0.18 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.23 3kit n PRO 12 Cb 0.30 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.23 3kit n PRO 12 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3kit n ILE 13 N -1.11 0.19 0.00 0.52 5.41 -1.26 -0.69 119.36 122.42 3kit n ILE 13 Ca 0.20 -0.56 0.00 0.00 1.00 0.00 0.00 62.75 63.39 3kit n ILE 13 Cb 0.16 -2.58 0.00 0.00 -0.71 0.00 0.00 39.64 36.51 3kit n ILE 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3kit n GLY 14 N 5.90 0.94 3.76 7.39 0.00 -1.26 -5.11 105.19 116.81 3kit n GLY 14 Ca 0.33 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.09 3kit n GLY 14 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kit s TYR 15 N -2.00 3.06 0.54 1.61 1.51 0.13 -5.09 117.35 117.11 3kit s TYR 15 Ca 0.00 -0.05 -0.18 0.00 -1.01 0.00 0.00 57.07 55.83 3kit s TYR 15 Cb 0.00 -1.47 -0.12 0.00 -0.11 0.00 0.00 41.96 40.26 3kit s TYR 15 CO 0.00 0.52 0.13 -2.30 -1.11 0.00 0.00 175.55 172.79 3kit n PRO 16 N -0.28 0.20 0.01 -1.71 -0.02 -1.26 -4.74 135.00 127.21 3kit n PRO 16 Ca -0.09 0.08 -0.14 0.00 -2.02 0.00 0.00 63.50 61.34 3kit n PRO 16 Cb 0.55 -1.29 -0.08 0.00 -0.02 0.00 0.00 33.50 32.66 3kit n PRO 16 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3kit h LYS 17 N 0.07 -0.54 -0.79 -0.52 1.79 -1.98 -2.41 116.57 112.19 3kit h LYS 17 Ca -0.43 0.04 0.14 0.00 -2.18 0.00 0.00 60.65 58.22 3kit h LYS 17 Cb 1.43 0.12 -0.14 0.00 -1.58 0.00 0.00 32.23 32.06 3kit h LYS 17 CO 0.44 -0.36 -0.29 0.38 -1.08 0.00 0.00 179.45 178.53 3kit h ASP 18 N -0.56 -1.06 -0.96 0.86 2.03 -1.99 0.64 116.42 115.38 3kit h ASP 18 Ca 0.05 0.26 0.09 0.00 -0.73 0.00 0.00 57.03 56.70 3kit h ASP 18 Cb 0.67 0.59 -0.07 0.00 -0.83 0.00 0.00 39.33 39.69 3kit h ASP 18 CO -0.40 -0.29 0.62 1.56 -1.03 0.00 0.00 179.24 179.70 3kit h GLN 19 N -0.05 1.00 0.00 4.15 4.20 -1.78 0.10 115.11 122.73 3kit h GLN 19 Ca 0.33 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.88 3kit h GLN 19 Cb 0.59 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 3kit h GLN 19 CO -0.83 0.66 -0.48 0.87 -0.67 0.00 0.00 178.83 178.38 3kit h LYS 20 N 1.03 0.00 -0.10 1.46 1.57 -0.67 -2.83 116.57 117.04 3kit h LYS 20 Ca 0.44 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 59.03 3kit h LYS 20 Cb 0.33 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 3kit h LYS 20 CO -0.20 0.48 -0.72 0.00 -0.57 0.00 0.00 179.45 178.44 3kit h ALA 21 N 1.52 0.57 -0.50 3.86 0.00 0.39 -3.00 119.26 122.10 3kit h ALA 21 Ca -0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 3kit h ALA 21 Cb 0.93 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3kit h ALA 21 CO 0.06 0.75 0.29 0.00 0.00 0.00 0.00 179.25 180.35 3kit h ALA 22 N 0.89 0.64 -0.94 0.00 0.00 -0.68 0.23 119.26 119.40 3kit h ALA 22 Ca -0.03 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 54.90 3kit h ALA 22 Cb 1.30 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.81 3kit h ALA 22 CO 0.13 0.14 0.58 -0.07 0.00 0.00 0.00 179.25 180.03 3kit h LEU 23 N 0.67 0.88 -0.60 0.00 3.38 -1.47 0.17 115.31 118.33 3kit h LEU 23 Ca 0.18 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 3kit h LEU 23 Cb 0.01 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3kit h LEU 23 CO -0.03 0.51 0.27 0.50 0.09 0.00 0.00 178.44 179.77 3kit h LYS 24 N 0.98 0.88 -0.39 1.13 3.64 -1.10 0.26 116.57 121.97 3kit h LYS 24 Ca 0.44 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.64 3kit h LYS 24 Cb 0.35 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 3kit h LYS 24 CO -0.23 0.73 0.08 0.00 -2.27 0.00 0.00 179.45 177.76 3kit h ALA 25 N 1.11 1.41 -0.00 5.00 0.00 0.67 -0.82 119.26 126.63 3kit h ALA 25 Ca 0.20 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kit h ALA 25 Cb 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3kit h ALA 25 CO -0.02 0.43 -0.20 1.28 0.00 0.00 0.00 179.25 180.74 3kit n LEU 26 N -4.31 0.24 0.00 0.00 4.77 0.42 -4.94 117.00 113.17 3kit n LEU 26 Ca 0.02 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 3kit n LEU 26 Cb 0.21 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 3kit n LEU 26 CO 0.38 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 3kit n GLY 27 N 1.47 0.54 3.58 -0.72 0.00 0.69 -4.98 105.19 105.77 3kit n GLY 27 Ca 0.07 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 3kit n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kit s LEU 28 N 0.00 4.22 -0.04 0.99 1.43 0.16 -4.93 118.68 120.50 3kit s LEU 28 Ca 0.00 0.24 -0.09 0.00 -1.03 0.00 0.00 54.13 53.25 3kit s LEU 28 Cb 0.00 -2.73 -0.03 0.00 0.03 0.00 0.00 46.19 43.46 3kit s LEU 28 CO 0.00 -0.49 -0.17 0.54 0.23 0.00 0.00 176.35 176.46 3kit n ARG 29 N 5.85 0.26 -3.01 1.70 1.74 -1.26 -4.35 116.66 117.59 3kit n ARG 29 Ca -0.02 0.10 -0.30 0.00 -0.77 0.00 0.00 57.85 56.86 3kit n ARG 29 Cb 0.49 -0.94 -0.03 0.00 -1.02 0.00 0.00 32.46 30.95 3kit n ARG 29 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3kit s ARG 30 N -2.39 3.73 0.78 5.56 0.52 -1.26 -5.06 118.95 120.82 3kit s ARG 30 Ca -0.14 0.31 -0.11 0.00 -0.52 0.00 0.00 55.73 55.27 3kit s ARG 30 Cb 0.02 -2.47 0.06 0.00 0.52 0.00 0.00 34.95 33.08 3kit s ARG 30 CO 0.21 0.04 1.10 -0.51 0.02 0.00 0.00 175.30 176.16 3kit s LEU 31 N -3.77 3.03 0.00 2.53 1.43 -1.26 -3.04 118.68 117.60 3kit s LEU 31 Ca 0.49 1.86 0.00 0.00 -1.03 0.00 0.00 54.13 55.45 3kit s LEU 31 Cb -0.10 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.59 3kit s LEU 31 CO 0.31 -2.11 0.00 0.00 0.23 0.00 0.00 176.35 174.78 3kit n GLN 32 N -3.54 0.00 -2.35 1.70 1.13 0.18 -4.94 117.38 109.56 3kit n GLN 32 Ca 0.09 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.74 3kit n GLN 32 Cb 0.53 -3.33 -0.03 0.00 0.11 0.00 0.00 30.24 27.52 3kit n GLN 32 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3kit s GLN 33 N -0.22 4.43 0.02 -1.09 0.74 -1.17 -4.79 119.66 117.59 3kit s GLN 33 Ca 0.00 1.87 0.01 0.00 0.05 0.00 0.00 55.36 57.29 3kit s GLN 33 Cb 0.00 -3.29 -0.04 0.00 1.10 0.00 0.00 33.01 30.78 3kit s GLN 33 CO 0.00 -0.24 0.06 -1.21 -0.55 0.00 0.00 175.29 173.35 3kit s GLU 34 N 0.63 2.92 -0.14 1.67 2.02 -1.26 -2.46 118.70 122.09 3kit s GLU 34 Ca 0.58 -0.58 -0.04 0.00 0.02 0.00 0.00 54.97 54.95 3kit s GLU 34 Cb -0.32 -2.76 0.07 0.00 0.10 0.00 0.00 34.13 31.22 3kit s GLU 34 CO 0.32 0.62 0.22 1.03 0.02 0.00 0.00 175.26 177.46 3kit s ARG 35 N -1.87 0.13 -0.34 1.61 0.52 -0.21 -4.99 118.95 113.79 3kit s ARG 35 Ca 0.24 0.52 -0.25 0.00 -0.52 0.00 0.00 55.73 55.71 3kit s ARG 35 Cb -0.12 -0.49 0.01 0.00 0.52 0.00 0.00 34.95 34.87 3kit s ARG 35 CO 0.15 -0.41 0.90 0.14 0.02 0.00 0.00 175.30 176.10 3kit s VAL 36 N 2.35 4.64 0.45 3.52 -7.23 -1.26 -2.26 120.40 120.61 3kit s VAL 36 Ca 0.04 1.24 0.04 0.00 -1.81 0.00 0.00 61.98 61.49 3kit s VAL 36 Cb -0.13 -4.29 -0.05 0.00 0.56 0.00 0.00 36.38 32.47 3kit s VAL 36 CO -0.09 -0.45 0.02 -0.76 -0.31 0.00 0.00 175.10 173.51 3kit s LEU 37 N 3.33 2.51 0.00 1.32 1.43 0.37 -4.97 118.68 122.67 3kit s LEU 37 Ca 0.37 -1.52 0.00 0.00 -1.03 0.00 0.00 54.13 51.95 3kit s LEU 37 Cb -0.13 -0.73 0.00 0.00 0.03 0.00 0.00 46.19 45.36 3kit s LEU 37 CO 0.16 -0.67 0.00 -0.62 0.23 0.00 0.00 176.35 175.45 3kit n GLU 38 N -1.07 2.23 -0.33 1.70 -0.58 -1.26 -1.42 120.64 119.90 3kit n GLU 38 Ca -0.11 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 3kit n GLU 38 Cb 0.67 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.54 3kit n GLU 38 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3kit n ASP 39 N 0.00 0.00 -4.30 1.62 2.03 -1.26 -2.33 116.55 112.31 3kit n ASP 39 Ca 0.00 -0.97 -0.32 0.00 0.52 0.00 0.00 54.79 54.02 3kit n ASP 39 Cb 0.00 0.00 0.17 0.00 -0.72 0.00 0.00 41.12 40.57 3kit n ASP 39 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3kit n THR 40 N 0.00 0.00 0.21 5.18 -2.24 -1.26 -4.75 114.28 111.42 3kit n THR 40 Ca 0.00 -0.29 0.05 0.00 -2.27 0.00 0.00 64.05 61.54 3kit n THR 40 Cb 0.48 -0.62 0.45 0.00 -2.10 0.00 0.00 70.33 68.55 3kit n THR 40 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3kit h PRO 41 N -2.03 0.00 -0.11 -0.78 0.11 -2.00 -2.91 132.00 124.27 3kit h PRO 41 Ca -0.53 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.49 3kit h PRO 41 Cb 1.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.46 3kit h PRO 41 CO 0.38 0.29 -0.30 0.00 -0.21 0.00 0.00 178.00 178.16 3kit h ALA 42 N 1.71 0.19 0.00 -0.75 0.00 -2.00 -1.01 119.26 117.40 3kit h ALA 42 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3kit h ALA 42 Cb 0.57 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3kit h ALA 42 CO 0.04 0.22 0.00 -0.89 0.00 0.00 0.00 179.25 178.61 3kit n ILE 43 N -4.41 1.02 -0.06 0.00 2.08 -1.18 -1.52 119.36 115.29 3kit n ILE 43 Ca -0.07 0.45 -0.14 0.00 0.56 0.00 0.00 62.75 63.54 3kit n ILE 43 Cb 0.48 -1.39 -0.14 0.00 -0.75 0.00 0.00 39.64 37.83 3kit n ILE 43 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 3kit n ARG 44 N -2.12 0.68 -0.23 0.38 0.63 -1.09 -3.76 116.66 111.15 3kit n ARG 44 Ca 0.01 0.19 0.02 0.00 -0.92 0.00 0.00 57.85 57.14 3kit n ARG 44 Cb 0.13 -1.65 0.14 0.00 0.45 0.00 0.00 32.46 31.53 3kit n ARG 44 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 3kit h GLY 45 N 2.66 0.98 2.00 5.14 0.00 -0.10 0.33 103.07 114.08 3kit h GLY 45 Ca -0.45 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 46.74 3kit h GLY 45 CO 0.03 -0.04 0.00 0.70 0.00 0.00 0.00 176.54 177.24 3kit n ASN 46 N -4.98 0.25 -0.02 0.19 5.03 -1.12 -1.82 115.26 112.78 3kit n ASN 46 Ca 0.11 0.54 -0.13 0.00 0.87 0.00 0.00 54.58 55.96 3kit n ASN 46 Cb 0.32 -0.60 -0.14 0.00 -1.02 0.00 0.00 39.78 38.34 3kit n ASN 46 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 3kit n VAL 47 N -1.75 1.64 -0.03 2.41 0.31 0.41 -3.66 118.33 117.67 3kit n VAL 47 Ca 0.05 -0.75 -0.12 0.00 -0.01 0.00 0.00 64.34 63.52 3kit n VAL 47 Cb 0.30 -1.23 -0.07 0.00 -0.91 0.00 0.00 33.84 31.93 3kit n VAL 47 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3kit h GLU 48 N 0.02 0.18 -0.63 5.55 4.39 -0.31 -2.11 114.58 121.66 3kit h GLU 48 Ca -0.36 -0.05 0.12 0.00 0.34 0.00 0.00 59.36 59.41 3kit h GLU 48 Cb 2.04 -0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 30.57 3kit h GLU 48 CO 0.07 0.39 0.14 -0.22 -1.16 0.00 0.00 179.01 178.24 3kit h LYS 49 N -0.06 0.26 -0.63 2.33 3.64 -1.51 -1.50 116.57 119.10 3kit h LYS 49 Ca 0.03 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.32 3kit h LYS 49 Cb 0.30 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.02 3kit h LYS 49 CO 0.00 0.17 0.10 1.33 -2.27 0.00 0.00 179.45 178.78 3kit n VAL 50 N -5.13 2.84 -0.39 2.00 0.24 -1.21 -4.68 118.33 112.00 3kit n VAL 50 Ca 0.10 -1.51 0.31 0.00 -2.04 0.00 0.00 64.34 61.21 3kit n VAL 50 Cb 0.35 -0.31 0.58 0.00 -1.47 0.00 0.00 33.84 33.00 3kit n VAL 50 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kit h ALA 51 N 3.49 2.46 0.00 2.33 0.00 -0.55 0.22 119.26 127.21 3kit h ALA 51 Ca 0.10 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3kit h ALA 51 Cb 2.12 0.16 0.00 0.00 0.00 0.00 0.00 17.79 20.07 3kit h ALA 51 CO 0.58 -1.04 0.00 -2.39 0.00 0.00 0.00 179.25 176.40 3kit n HIS 52 N -4.77 0.00 -0.01 0.00 1.44 -1.26 -3.23 115.22 107.39 3kit n HIS 52 Ca 0.34 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 56.06 3kit n HIS 52 Cb 1.22 -0.24 -0.05 0.00 0.12 0.00 0.00 29.99 31.04 3kit n HIS 52 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3kit n LEU 53 N -1.24 0.00 -4.67 2.39 4.77 0.71 -4.85 117.00 114.11 3kit n LEU 53 Ca 0.13 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.85 3kit n LEU 53 Cb 0.18 0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.23 3kit n LEU 53 CO 0.18 0.04 -0.32 -0.69 -1.33 0.00 0.00 177.39 175.27 3kit s VAL 54 N -2.38 3.77 -0.22 4.08 1.01 -0.89 -0.12 120.40 125.65 3kit s VAL 54 Ca -0.03 -1.44 0.01 0.00 0.00 0.00 0.00 61.98 60.53 3kit s VAL 54 Cb 0.04 -2.91 0.05 0.00 0.00 0.00 0.00 36.38 33.56 3kit s VAL 54 CO 0.27 -0.13 -0.07 -0.60 0.00 0.00 0.00 175.10 174.57 3kit s ARG 55 N -3.03 1.72 -0.02 2.72 3.52 -0.66 -4.80 118.95 118.41 3kit s ARG 55 Ca 0.28 -0.93 -0.04 0.00 -0.13 0.00 0.00 55.73 54.91 3kit s ARG 55 Cb -0.09 -2.51 -0.04 0.00 -1.56 0.00 0.00 34.95 30.74 3kit s ARG 55 CO 0.19 -0.54 0.20 0.08 -0.81 0.00 0.00 175.30 174.42 3kit s VAL 56 N 1.40 5.41 0.20 7.11 1.01 -1.26 -2.04 120.40 132.24 3kit s VAL 56 Ca -0.04 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 61.94 3kit s VAL 56 Cb -0.18 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 3kit s VAL 56 CO -0.07 0.36 -0.04 -0.70 0.00 0.00 0.00 175.10 174.66 3kit s GLU 57 N -1.81 1.24 -0.27 2.72 2.12 -0.56 -4.99 118.70 117.15 3kit s GLU 57 Ca 0.26 -1.60 -0.02 0.00 0.36 0.00 0.00 54.97 53.97 3kit s GLU 57 Cb -0.13 -0.62 0.03 0.00 0.26 0.00 0.00 34.13 33.67 3kit s GLU 57 CO 0.17 -0.03 -0.03 0.08 -0.54 0.00 0.00 175.26 174.91 3kit s VAL 58 N -3.38 3.07 0.00 3.70 1.01 -1.26 -1.35 120.40 122.19 3kit s VAL 58 Ca 0.24 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 61.18 3kit s VAL 58 Cb 0.04 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.82 3kit s VAL 58 CO 0.06 0.12 0.43 0.52 0.00 0.00 0.00 175.10 176.23