#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knm n PRO 2 N 0.00 0.00 0.00 0.03 -0.04 -1.26 -4.79 135.00 128.94 3knm n PRO 2 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3knm n PRO 2 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3knm n PRO 2 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3knm n ARG 3 N 0.00 0.00 -3.20 0.54 0.63 -1.18 -4.46 116.66 109.00 3knm n ARG 3 Ca 0.00 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.57 3knm n ARG 3 Cb 0.00 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.85 3knm n ARG 3 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3knm s LEU 4 N 0.00 4.34 -0.24 6.15 1.43 -0.65 0.17 118.68 129.88 3knm s LEU 4 Ca 0.00 1.29 0.02 0.00 -1.03 0.00 0.00 54.13 54.41 3knm s LEU 4 Cb 0.00 -3.45 0.05 0.00 0.03 0.00 0.00 46.19 42.82 3knm s LEU 4 CO 0.00 0.06 -0.11 -0.75 0.23 0.00 0.00 176.35 175.78 3knm s LYS 5 N -1.95 2.24 0.12 1.70 2.20 0.92 0.61 119.74 125.58 3knm s LYS 5 Ca 0.41 -1.22 0.06 0.00 -0.36 0.00 0.00 55.97 54.85 3knm s LYS 5 Cb -0.16 -2.79 -0.04 0.00 -1.51 0.00 0.00 37.83 33.33 3knm s LYS 5 CO 0.20 -0.52 0.00 0.14 -0.36 0.00 0.00 175.35 174.81 3knm s VAL 6 N 1.17 3.90 -0.05 4.02 -7.23 -0.89 -0.67 120.40 120.65 3knm s VAL 6 Ca -0.07 -1.16 -0.02 0.00 -1.81 0.00 0.00 61.98 58.92 3knm s VAL 6 Cb -0.19 -2.90 0.03 0.00 0.56 0.00 0.00 36.38 33.89 3knm s VAL 6 CO -0.06 0.03 0.08 -0.75 -0.31 0.00 0.00 175.10 174.09 3knm s LYS 7 N -2.56 -0.04 -0.49 4.82 2.20 -0.31 -0.29 119.74 123.08 3knm s LYS 7 Ca 0.26 0.39 -0.28 0.00 -0.36 0.00 0.00 55.97 55.98 3knm s LYS 7 Cb -0.11 -0.39 0.00 0.00 -1.51 0.00 0.00 37.83 35.83 3knm s LYS 7 CO 0.18 -0.29 1.50 -1.17 -0.36 0.00 0.00 175.35 175.22 3knm s LEU 8 N 1.93 3.47 -0.10 5.43 0.20 -0.78 -0.08 118.68 128.75 3knm s LEU 8 Ca 0.01 0.60 0.16 0.00 0.69 0.00 0.00 54.13 55.60 3knm s LEU 8 Cb -0.12 -3.23 -0.24 0.00 -0.43 0.00 0.00 46.19 42.17 3knm s LEU 8 CO -0.04 -1.68 0.20 1.33 -0.29 0.00 0.00 176.35 175.87 3knm n VAL 9 N 7.04 0.65 -5.02 1.68 0.24 -0.28 0.33 118.33 122.98 3knm n VAL 9 Ca 0.16 -0.58 -0.30 0.00 -2.04 0.00 0.00 64.34 61.58 3knm n VAL 9 Cb 0.49 -0.28 -0.17 0.00 -1.47 0.00 0.00 33.84 32.41 3knm n VAL 9 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3knm s LYS 10 N -2.77 2.71 0.04 7.34 2.20 -0.65 -4.81 119.74 123.80 3knm s LYS 10 Ca -0.07 -0.76 -0.38 0.00 -0.36 0.00 0.00 55.97 54.39 3knm s LYS 10 Cb 0.08 -2.09 -0.19 0.00 -1.51 0.00 0.00 37.83 34.13 3knm s LYS 10 CO 0.71 0.13 1.18 0.45 -0.36 0.00 0.00 175.35 177.45 3knm n SER 11 N 3.64 0.69 -0.19 1.43 2.88 -1.26 -4.72 113.62 116.08 3knm n SER 11 Ca -0.20 1.14 0.13 0.00 -1.33 0.00 0.00 58.87 58.62 3knm n SER 11 Cb 0.53 -1.04 0.69 0.00 -0.75 0.00 0.00 64.21 63.63 3knm n SER 11 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3knm n PRO 12 N 1.92 1.26 -1.69 -1.46 -0.02 -1.26 -4.86 135.00 128.89 3knm n PRO 12 Ca 0.19 -0.39 -0.42 0.00 -2.02 0.00 0.00 63.50 60.86 3knm n PRO 12 Cb 0.13 -1.44 -0.03 0.00 -0.02 0.00 0.00 33.50 32.14 3knm n PRO 12 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3knm s ILE 13 N -1.97 3.08 0.00 4.25 1.09 -1.26 -1.32 121.20 125.07 3knm s ILE 13 Ca 0.39 0.09 0.00 0.00 -1.10 0.00 0.00 60.65 60.04 3knm s ILE 13 Cb 0.19 -3.08 0.00 0.00 -1.06 0.00 0.00 42.46 38.51 3knm s ILE 13 CO 0.32 -0.03 0.00 0.61 -0.10 0.00 0.00 174.94 175.74 3knm n GLY 14 N 5.00 0.34 3.89 6.18 0.00 -1.26 -5.07 105.19 114.27 3knm n GLY 14 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 3knm n GLY 14 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3knm s TYR 15 N -2.11 3.49 0.37 1.61 1.51 -0.43 -5.03 117.35 116.75 3knm s TYR 15 Ca 0.00 0.93 -0.25 0.00 -1.01 0.00 0.00 57.07 56.74 3knm s TYR 15 Cb 0.00 -2.35 -0.13 0.00 -0.11 0.00 0.00 41.96 39.37 3knm s TYR 15 CO 0.00 -0.08 0.76 -2.30 -1.11 0.00 0.00 175.55 172.82 3knm n PRO 16 N -1.39 0.88 -0.40 -1.71 -0.02 -1.26 -4.74 135.00 126.37 3knm n PRO 16 Ca 0.01 0.32 -0.09 0.00 -2.02 0.00 0.00 63.50 61.72 3knm n PRO 16 Cb 0.54 -1.66 -0.07 0.00 -0.02 0.00 0.00 33.50 32.29 3knm n PRO 16 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3knm h LYS 17 N 1.28 -0.02 -0.74 -0.52 1.79 -1.97 0.04 116.57 116.43 3knm h LYS 17 Ca -0.40 0.00 0.13 0.00 -2.18 0.00 0.00 60.65 58.20 3knm h LYS 17 Cb 1.37 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.94 3knm h LYS 17 CO 0.55 -0.01 0.32 0.38 -1.08 0.00 0.00 179.45 179.61 3knm h ASP 18 N -0.02 0.35 -0.92 0.86 2.03 -1.94 0.00 116.42 116.78 3knm h ASP 18 Ca 0.20 0.09 0.01 0.00 -0.73 0.00 0.00 57.03 56.60 3knm h ASP 18 Cb 0.46 0.05 -0.05 0.00 -0.83 0.00 0.00 39.33 38.96 3knm h ASP 18 CO -0.93 0.16 0.61 1.56 -1.03 0.00 0.00 179.24 179.60 3knm h GLN 19 N 0.50 1.19 0.72 4.15 4.20 -1.35 -1.46 115.11 123.07 3knm h GLN 19 Ca 0.39 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 59.00 3knm h GLN 19 Cb 0.54 -0.27 0.01 0.00 0.30 0.00 0.00 27.48 28.06 3knm h GLN 19 CO -0.36 0.79 -0.35 0.87 -0.67 0.00 0.00 178.83 179.12 3knm h LYS 20 N 1.23 -0.93 -0.06 1.46 1.57 -0.66 -2.32 116.57 116.85 3knm h LYS 20 Ca 0.34 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 3knm h LYS 20 Cb -0.12 0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3knm h LYS 20 CO -0.08 -0.60 0.00 0.00 -0.57 0.00 0.00 179.45 178.20 3knm n ALA 21 N -2.63 1.34 -0.08 3.86 0.00 -0.15 -0.40 120.51 122.44 3knm n ALA 21 Ca -0.13 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.21 3knm n ALA 21 Cb 0.40 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.74 3knm n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knm n ALA 22 N 0.07 1.62 0.43 0.00 0.00 -0.58 -3.87 120.51 118.18 3knm n ALA 22 Ca 0.00 -0.89 0.13 0.00 0.00 0.00 0.00 53.44 52.68 3knm n ALA 22 Cb 0.02 0.00 0.35 0.00 0.00 0.00 0.00 19.45 19.82 3knm n ALA 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3knm h LEU 23 N 0.00 0.00 -0.42 0.00 4.07 -0.69 0.15 115.31 118.41 3knm h LEU 23 Ca -0.41 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.45 3knm h LEU 23 Cb 1.78 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.50 3knm h LEU 23 CO -0.02 0.00 -0.12 0.50 -1.08 0.00 0.00 178.44 177.72 3knm h LYS 24 N 0.00 0.83 0.03 1.13 1.63 -1.60 0.54 116.57 119.13 3knm h LYS 24 Ca 0.00 -0.33 -0.00 0.00 -0.85 0.00 0.00 60.65 59.47 3knm h LYS 24 Cb 0.78 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.36 3knm h LYS 24 CO 0.00 0.95 -0.01 0.00 -3.45 0.00 0.00 179.45 176.94 3knm h ALA 25 N 0.85 -0.03 0.00 5.00 0.00 -1.53 -2.83 119.26 120.72 3knm h ALA 25 Ca 0.10 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3knm h ALA 25 Cb 0.66 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3knm h ALA 25 CO 0.05 -0.22 0.00 1.28 0.00 0.00 0.00 179.25 180.35 3knm n LEU 26 N -4.83 0.21 -2.52 0.00 4.77 0.46 -4.81 117.00 110.29 3knm n LEU 26 Ca -0.09 -0.10 -0.10 0.00 -0.03 0.00 0.00 56.01 55.69 3knm n LEU 26 Cb 0.29 -0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3knm n LEU 26 CO 0.33 0.05 -0.11 0.61 -1.33 0.00 0.00 177.39 176.94 3knm n GLY 27 N 0.10 -0.50 3.51 -0.72 0.00 -0.15 -4.92 105.19 102.51 3knm n GLY 27 Ca 0.00 0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3knm n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3knm s LEU 28 N -5.52 4.70 -0.25 0.99 1.43 0.17 -4.96 118.68 115.25 3knm s LEU 28 Ca 0.03 -0.52 -0.15 0.00 -1.03 0.00 0.00 54.13 52.45 3knm s LEU 28 Cb -0.01 -2.28 -0.10 0.00 0.03 0.00 0.00 46.19 43.82 3knm s LEU 28 CO 0.03 -0.41 -0.36 0.54 0.23 0.00 0.00 176.35 176.39 3knm n ARG 29 N 5.35 0.57 -4.19 1.70 5.12 -1.26 -4.49 116.66 119.46 3knm n ARG 29 Ca -0.10 0.25 -0.24 0.00 -1.93 0.00 0.00 57.85 55.83 3knm n ARG 29 Cb 0.48 -1.47 -0.07 0.00 -1.16 0.00 0.00 32.46 30.24 3knm n ARG 29 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3knm s ARG 30 N -2.63 2.26 0.64 5.56 0.52 -1.26 -5.10 118.95 118.94 3knm s ARG 30 Ca -0.36 -1.64 -0.15 0.00 -0.52 0.00 0.00 55.73 53.06 3knm s ARG 30 Cb 0.12 -2.07 -0.01 0.00 0.52 0.00 0.00 34.95 33.50 3knm s ARG 30 CO 0.47 0.11 1.10 -0.51 0.02 0.00 0.00 175.30 176.49 3knm s LEU 31 N -3.80 3.44 0.00 2.53 1.43 -1.26 -2.80 118.68 118.22 3knm s LEU 31 Ca 0.37 1.98 0.00 0.00 -1.03 0.00 0.00 54.13 55.45 3knm s LEU 31 Cb -0.01 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.66 3knm s LEU 31 CO 0.21 -1.52 0.00 0.00 0.23 0.00 0.00 176.35 175.28 3knm n GLN 32 N -2.25 0.00 -2.30 1.70 1.13 0.15 -4.96 117.38 110.85 3knm n GLN 32 Ca 0.10 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.74 3knm n GLN 32 Cb 0.52 -3.29 -0.03 0.00 0.11 0.00 0.00 30.24 27.55 3knm n GLN 32 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3knm s GLN 33 N -0.38 4.36 -0.08 -1.09 0.74 -1.12 -4.81 119.66 117.28 3knm s GLN 33 Ca 0.00 1.90 -0.02 0.00 0.05 0.00 0.00 55.36 57.29 3knm s GLN 33 Cb 0.00 -3.37 -0.03 0.00 1.10 0.00 0.00 33.01 30.70 3knm s GLN 33 CO 0.00 -0.39 -0.00 -1.21 -0.55 0.00 0.00 175.29 173.14 3knm s GLU 34 N 1.42 2.97 -0.13 1.67 2.02 -1.26 -1.87 118.70 123.52 3knm s GLU 34 Ca 0.61 -0.42 -0.04 0.00 0.02 0.00 0.00 54.97 55.15 3knm s GLU 34 Cb -0.32 -2.78 0.05 0.00 0.10 0.00 0.00 34.13 31.18 3knm s GLU 34 CO 0.28 0.70 0.09 0.50 0.02 0.00 0.00 175.26 176.86 3knm s ARG 35 N -0.90 0.02 -0.10 1.61 3.52 0.60 -4.98 118.95 118.72 3knm s ARG 35 Ca 0.13 0.12 -0.30 0.00 -0.13 0.00 0.00 55.73 55.56 3knm s ARG 35 Cb -0.11 -1.29 -0.01 0.00 -1.56 0.00 0.00 34.95 31.97 3knm s ARG 35 CO 0.02 -0.54 1.03 0.14 -0.81 0.00 0.00 175.30 175.14 3knm s VAL 36 N 2.17 4.72 0.09 7.11 -7.23 -1.26 -2.10 120.40 123.90 3knm s VAL 36 Ca 0.03 1.99 0.05 0.00 -1.81 0.00 0.00 61.98 62.25 3knm s VAL 36 Cb -0.15 -4.28 -0.03 0.00 0.56 0.00 0.00 36.38 32.48 3knm s VAL 36 CO -0.07 0.00 -0.13 -0.76 -0.31 0.00 0.00 175.10 173.83 3knm s LEU 37 N 2.04 2.34 0.10 1.32 1.43 0.20 -4.99 118.68 121.11 3knm s LEU 37 Ca 0.49 -0.71 -0.31 0.00 -1.03 0.00 0.00 54.13 52.57 3knm s LEU 37 Cb -0.19 -0.49 -0.10 0.00 0.03 0.00 0.00 46.19 45.44 3knm s LEU 37 CO 0.18 -0.13 1.87 -0.70 0.23 0.00 0.00 176.35 177.80 3knm s GLU 38 N -2.21 4.14 -0.97 1.70 2.56 -1.26 -1.64 118.70 121.01 3knm s GLU 38 Ca 0.03 2.59 -0.24 0.00 0.00 0.00 0.00 54.97 57.36 3knm s GLU 38 Cb -0.07 -3.76 0.01 0.00 2.00 0.00 0.00 34.13 32.30 3knm s GLU 38 CO 0.02 -0.88 1.68 0.34 -0.56 0.00 0.00 175.26 175.86 3knm s ASP 39 N 3.22 5.90 0.49 -1.70 -1.08 -1.26 -4.76 116.67 117.47 3knm s ASP 39 Ca 0.83 -1.13 0.02 0.00 -0.52 0.00 0.00 52.55 51.75 3knm s ASP 39 Cb -0.45 -2.57 -0.01 0.00 -1.46 0.00 0.00 42.92 38.43 3knm s ASP 39 CO 0.38 -2.06 0.04 0.42 0.52 0.00 0.00 175.17 174.46 3knm s THR 40 N 7.26 0.99 0.12 1.71 -4.23 -1.26 -4.82 115.64 115.41 3knm s THR 40 Ca 0.57 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 59.00 3knm s THR 40 Cb -0.03 -2.19 -0.16 0.00 1.34 0.00 0.00 72.50 71.46 3knm s THR 40 CO -0.05 0.00 1.32 -0.65 -0.54 0.00 0.00 174.62 174.69 3knm h PRO 41 N 1.45 0.57 0.38 3.99 0.11 -1.98 -2.61 132.00 133.92 3knm h PRO 41 Ca -0.42 -0.53 -0.02 0.00 0.11 0.00 0.00 66.00 65.14 3knm h PRO 41 Cb 1.31 0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.55 3knm h PRO 41 CO 0.69 1.16 -0.18 0.00 -0.21 0.00 0.00 178.00 179.46 3knm h ALA 42 N 0.68 -0.51 0.00 -0.75 0.00 -1.97 0.53 119.26 117.23 3knm h ALA 42 Ca -0.07 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3knm h ALA 42 Cb 1.49 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.47 3knm h ALA 42 CO 0.16 -0.57 0.02 -0.89 0.00 0.00 0.00 179.25 177.97 3knm n ILE 43 N -5.15 1.18 -0.11 0.00 2.08 -1.25 -1.54 119.36 114.57 3knm n ILE 43 Ca -0.09 0.70 -0.22 0.00 0.56 0.00 0.00 62.75 63.70 3knm n ILE 43 Cb 0.28 -1.70 -0.11 0.00 -0.75 0.00 0.00 39.64 37.36 3knm n ILE 43 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 3knm n ARG 44 N -2.11 0.56 -0.42 0.38 3.00 -0.98 -3.10 116.66 113.99 3knm n ARG 44 Ca -0.01 0.55 0.37 0.00 -0.00 0.00 0.00 57.85 58.76 3knm n ARG 44 Cb 0.04 -1.73 0.70 0.00 0.00 0.00 0.00 32.46 31.48 3knm n ARG 44 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 3knm h GLY 45 N -1.00 0.48 0.17 5.14 0.00 0.11 0.52 103.07 108.49 3knm h GLY 45 Ca -0.36 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 3knm h GLY 45 CO -0.22 -0.10 -0.03 3.43 0.00 0.00 0.00 176.54 179.62 3knm h ASN 46 N 0.09 0.02 -0.04 0.19 -0.26 -1.57 -3.12 115.58 110.89 3knm h ASN 46 Ca 0.69 -0.86 0.02 0.00 -0.56 0.00 0.00 56.30 55.60 3knm h ASN 46 Cb 2.47 -0.01 -0.03 0.00 -1.06 0.00 0.00 38.32 39.70 3knm h ASN 46 CO -0.14 0.87 -0.10 0.58 -1.06 0.00 0.00 177.43 177.58 3knm h VAL 47 N -0.83 0.73 -1.17 2.81 2.07 -0.26 -0.53 116.25 119.07 3knm h VAL 47 Ca -0.00 0.00 0.33 0.00 0.82 0.00 0.00 66.70 67.85 3knm h VAL 47 Cb 0.88 0.73 -0.08 0.00 -1.52 0.00 0.00 31.29 31.31 3knm h VAL 47 CO 0.00 0.00 0.80 -0.33 0.02 0.00 0.00 177.57 178.06 3knm h GLU 48 N -0.16 0.16 -0.35 1.57 4.39 -0.31 -1.25 114.58 118.64 3knm h GLU 48 Ca 0.05 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.64 3knm h GLU 48 Cb 0.22 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 3knm h GLU 48 CO -0.13 0.11 -0.16 -0.22 -1.16 0.00 0.00 179.01 177.44 3knm h LYS 49 N 0.16 0.73 -0.47 2.33 3.64 -1.03 -3.00 116.57 118.94 3knm h LYS 49 Ca 0.62 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 3knm h LYS 49 Cb 2.05 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.84 3knm h LYS 49 CO -0.17 0.92 0.00 1.33 -2.27 0.00 0.00 179.45 179.26 3knm n VAL 50 N -4.33 0.62 0.00 2.00 0.24 -0.69 -4.69 118.33 111.49 3knm n VAL 50 Ca -0.02 -0.66 0.00 0.00 -2.04 0.00 0.00 64.34 61.62 3knm n VAL 50 Cb 0.40 0.40 0.00 0.00 -1.47 0.00 0.00 33.84 33.17 3knm n VAL 50 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3knm n ALA 51 N 0.97 0.00 0.12 2.33 0.00 -0.56 0.16 120.51 123.54 3knm n ALA 51 Ca 0.17 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.63 3knm n ALA 51 Cb 0.44 0.00 0.36 0.00 0.00 0.00 0.00 19.45 20.25 3knm n ALA 51 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 3knm h HIS 52 N 0.00 0.24 -0.00 0.00 2.07 -1.86 -2.99 115.15 112.60 3knm h HIS 52 Ca 0.00 -0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.49 3knm h HIS 52 Cb 0.00 -0.06 0.00 0.00 2.57 0.00 0.00 27.41 29.92 3knm h HIS 52 CO 0.00 0.41 -0.39 1.28 -3.07 0.00 0.00 177.93 176.16 3knm n LEU 53 N -4.22 0.51 -4.75 6.12 4.77 0.42 -4.72 117.00 115.13 3knm n LEU 53 Ca -0.01 0.02 -0.27 0.00 -0.03 0.00 0.00 56.01 55.72 3knm n LEU 53 Cb 0.31 -0.26 -0.07 0.00 -2.33 0.00 0.00 43.42 41.08 3knm n LEU 53 CO 0.39 0.12 -0.16 -0.69 -1.33 0.00 0.00 177.39 175.71 3knm s VAL 54 N -2.90 1.94 -0.17 4.08 1.01 -1.02 -1.13 120.40 122.21 3knm s VAL 54 Ca 0.14 -1.76 -0.03 0.00 0.00 0.00 0.00 61.98 60.33 3knm s VAL 54 Cb 0.18 -2.70 0.05 0.00 0.00 0.00 0.00 36.38 33.92 3knm s VAL 54 CO 0.64 0.00 0.05 -0.60 0.00 0.00 0.00 175.10 175.19 3knm s ARG 55 N -3.93 0.44 0.17 2.72 3.52 0.89 -4.75 118.95 118.00 3knm s ARG 55 Ca 0.32 -0.22 0.04 0.00 -0.13 0.00 0.00 55.73 55.74 3knm s ARG 55 Cb 0.03 -1.83 -0.04 0.00 -1.56 0.00 0.00 34.95 31.56 3knm s ARG 55 CO 0.18 -0.60 0.24 0.08 -0.81 0.00 0.00 175.30 174.39 3knm s VAL 56 N 1.97 5.02 0.05 7.11 1.01 -1.26 -1.16 120.40 133.14 3knm s VAL 56 Ca 0.01 -0.87 -0.14 0.00 0.00 0.00 0.00 61.98 60.98 3knm s VAL 56 Cb -0.16 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.65 3knm s VAL 56 CO -0.08 -0.13 0.31 -0.70 0.00 0.00 0.00 175.10 174.51 3knm s GLU 57 N -3.28 0.84 -0.13 2.72 2.12 0.15 -4.98 118.70 116.13 3knm s GLU 57 Ca 0.33 -0.53 -0.07 0.00 0.36 0.00 0.00 54.97 55.06 3knm s GLU 57 Cb -0.10 0.36 -0.04 0.00 0.26 0.00 0.00 34.13 34.61 3knm s GLU 57 CO 0.27 -0.28 0.11 0.08 -0.54 0.00 0.00 175.26 174.90 3knm s VAL 58 N -2.71 5.23 0.00 3.70 1.01 -1.26 -0.06 120.40 126.31 3knm s VAL 58 Ca -0.04 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.05 3knm s VAL 58 Cb -0.00 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 33.09 3knm s VAL 58 CO -0.04 0.57 0.00 0.52 0.00 0.00 0.00 175.10 176.15 3knm n VAL 59 N 2.40 0.00 0.00 2.92 0.31 0.45 -4.91 118.33 119.50 3knm n VAL 59 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 3knm n VAL 59 Cb 0.54 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.47 3knm n VAL 59 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89