#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knm s LYS 2 N 0.00 0.39 0.00 2.12 1.02 -1.26 -5.08 119.74 116.94 3knm s LYS 2 Ca 0.00 0.56 0.15 0.00 0.02 0.00 0.00 55.97 56.71 3knm s LYS 2 Cb 0.00 0.14 -0.01 0.00 -0.52 0.00 0.00 37.83 37.44 3knm s LYS 2 CO 0.00 -0.06 0.82 0.25 -0.92 0.00 0.00 175.35 175.44 3knm n THR 3 N 2.86 0.00 0.00 2.17 -2.24 -1.26 -4.94 114.28 110.87 3knm n THR 3 Ca -0.15 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 3knm n THR 3 Cb 0.57 1.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.97 3knm n THR 3 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3knm n TYR 4 N -0.17 0.00 -0.37 4.78 0.18 -1.26 -4.72 117.16 115.60 3knm n TYR 4 Ca 0.06 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.70 3knm n TYR 4 Cb 0.32 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.27 3knm n TYR 4 CO 0.00 0.00 0.00 1.55 -2.08 0.00 0.00 176.86 176.33 3knm n VAL 5 N 0.00 0.18 -2.35 -3.48 3.14 -1.26 -4.95 118.33 109.60 3knm n VAL 5 Ca 0.00 -0.04 -0.25 0.00 -2.96 0.00 0.00 64.34 61.09 3knm n VAL 5 Cb 0.00 0.00 0.06 0.00 -1.06 0.00 0.00 33.84 32.84 3knm n VAL 5 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 3knm s PRO 6 N -0.09 2.38 0.30 1.45 0.04 -1.26 -5.11 135.00 132.70 3knm s PRO 6 Ca 0.21 -0.37 -0.00 0.00 0.04 0.00 0.00 61.00 60.87 3knm s PRO 6 Cb -0.29 -2.27 0.06 0.00 0.04 0.00 0.00 34.50 32.03 3knm s PRO 6 CO 0.14 -1.03 0.41 1.63 0.04 0.00 0.00 177.00 178.19 3knm n LYS 7 N -2.72 0.28 -1.75 4.56 5.02 -1.26 -4.96 118.16 117.34 3knm n LYS 7 Ca 0.07 -1.07 -0.42 0.00 -2.02 0.00 0.00 58.31 54.87 3knm n LYS 7 Cb 0.60 -0.28 -0.03 0.00 -0.02 0.00 0.00 35.03 35.30 3knm n LYS 7 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3knm s GLN 8 N -3.50 4.15 0.30 1.97 -0.21 -1.26 -4.95 119.66 116.15 3knm s GLN 8 Ca 0.27 2.53 -0.19 0.00 0.02 0.00 0.00 55.36 57.98 3knm s GLN 8 Cb -0.01 -3.98 -0.09 0.00 1.00 0.00 0.00 33.01 29.93 3knm s GLN 8 CO 0.18 -0.90 0.79 0.08 -2.12 0.00 0.00 175.29 173.32 3knm s VAL 9 N 3.91 4.52 -0.32 1.09 1.01 -1.26 -5.04 120.40 124.32 3knm s VAL 9 Ca 0.84 1.29 -0.20 0.00 0.00 0.00 0.00 61.98 63.91 3knm s VAL 9 Cb -0.42 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 3knm s VAL 9 CO 0.38 0.01 0.61 -0.70 0.00 0.00 0.00 175.10 175.40 3knm s GLU 10 N -2.45 3.84 0.18 2.72 2.56 -1.26 -5.02 118.70 119.27 3knm s GLU 10 Ca 0.50 0.21 -0.32 0.00 0.00 0.00 0.00 54.97 55.35 3knm s GLU 10 Cb -0.14 -3.75 -0.12 0.00 2.00 0.00 0.00 34.13 32.12 3knm s GLU 10 CO 0.19 -0.60 1.70 -0.35 -0.56 0.00 0.00 175.26 175.65 3knm n PRO 11 N 5.88 2.62 -3.53 4.30 -0.04 -1.26 -5.01 135.00 137.96 3knm n PRO 11 Ca -0.02 0.94 -0.37 0.00 -0.04 0.00 0.00 63.50 64.01 3knm n PRO 11 Cb 0.49 -2.78 -0.06 0.00 -0.04 0.00 0.00 33.50 31.11 3knm n PRO 11 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3knm s ARG 12 N 1.33 4.00 -0.44 0.54 6.06 -1.26 -4.97 118.95 124.20 3knm s ARG 12 Ca 0.77 0.27 -0.09 0.00 -2.50 0.00 0.00 55.73 54.19 3knm s ARG 12 Cb -0.55 -3.30 0.10 0.00 0.06 0.00 0.00 34.95 31.26 3knm s ARG 12 CO 0.34 0.52 0.30 -1.58 -2.50 0.00 0.00 175.30 172.38 3knm s TRP 13 N -0.46 3.38 0.22 5.12 0.52 -1.26 -1.85 118.94 124.61 3knm s TRP 13 Ca 0.21 -1.71 -0.12 0.00 0.02 0.00 0.00 56.10 54.50 3knm s TRP 13 Cb -0.15 -3.22 -0.07 0.00 -1.15 0.00 0.00 33.47 28.88 3knm s TRP 13 CO 0.09 -0.92 0.59 0.08 0.02 0.00 0.00 176.95 176.81 3knm s VAL 14 N 1.39 4.85 -0.01 4.03 1.01 -1.03 -2.20 120.40 128.44 3knm s VAL 14 Ca 0.04 0.70 0.07 0.00 0.00 0.00 0.00 61.98 62.80 3knm s VAL 14 Cb -0.25 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 3knm s VAL 14 CO 0.01 0.02 -0.22 -0.22 0.00 0.00 0.00 175.10 174.69 3knm s LEU 15 N -2.53 2.31 -0.17 3.92 1.98 0.01 0.33 118.68 124.52 3knm s LEU 15 Ca 0.45 -0.42 -0.04 0.00 -2.89 0.00 0.00 54.13 51.24 3knm s LEU 15 Cb -0.12 -1.41 0.08 0.00 0.66 0.00 0.00 46.19 45.40 3knm s LEU 15 CO 0.20 0.31 0.26 -0.51 -1.89 0.00 0.00 176.35 174.72 3knm s ILE 16 N -0.71 -0.40 -1.05 6.68 2.07 0.00 -1.17 121.20 126.61 3knm s ILE 16 Ca 0.11 0.08 -0.23 0.00 -1.41 0.00 0.00 60.65 59.20 3knm s ILE 16 Cb -0.10 -0.58 -0.03 0.00 0.13 0.00 0.00 42.46 41.88 3knm s ILE 16 CO 0.01 -0.04 1.82 -0.62 -1.91 0.00 0.00 174.94 174.20 3knm s ASP 17 N 2.40 5.58 0.26 4.50 3.68 -1.26 -1.66 116.67 130.17 3knm s ASP 17 Ca 0.05 -1.33 -0.08 0.00 2.13 0.00 0.00 52.55 53.33 3knm s ASP 17 Cb -0.14 -2.57 0.44 0.00 -1.45 0.00 0.00 42.92 39.20 3knm s ASP 17 CO -0.11 -2.41 1.59 0.00 0.13 0.00 0.00 175.17 174.37 3knm h ALA 18 N 10.10 0.70 0.00 3.66 0.00 -1.51 -3.43 119.26 128.78 3knm h ALA 18 Ca 0.19 0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.42 3knm h ALA 18 Cb 0.97 0.60 0.00 0.00 0.00 0.00 0.00 17.79 19.36 3knm h ALA 18 CO 1.29 -0.43 0.00 -1.91 0.00 0.00 0.00 179.25 178.20 3knm n GLU 19 N -5.51 0.00 -0.15 0.00 4.07 -1.06 -0.40 120.64 117.59 3knm n GLU 19 Ca 0.15 0.00 0.06 0.00 -0.06 0.00 0.00 57.16 57.31 3knm n GLU 19 Cb 0.49 0.00 0.14 0.00 -0.06 0.00 0.00 31.44 32.02 3knm n GLU 19 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3knm n GLY 20 N 0.00 2.02 3.76 8.31 0.00 -1.26 -1.28 105.19 116.73 3knm n GLY 20 Ca 0.00 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 3knm n GLY 20 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3knm s LYS 21 N -1.01 3.19 -0.32 1.61 2.20 0.46 -3.61 119.74 122.26 3knm s LYS 21 Ca 0.23 1.95 -0.29 0.00 -0.36 0.00 0.00 55.97 57.50 3knm s LYS 21 Cb 0.13 -2.13 -0.00 0.00 -1.51 0.00 0.00 37.83 34.31 3knm s LYS 21 CO 0.17 -1.07 1.39 0.99 -0.36 0.00 0.00 175.35 176.48 3knm s THR 22 N -1.48 4.00 0.38 3.43 2.01 -1.26 -1.97 115.64 120.74 3knm s THR 22 Ca 0.73 1.10 -0.27 0.00 0.31 0.00 0.00 61.69 63.56 3knm s THR 22 Cb -0.33 -4.09 -0.11 0.00 0.01 0.00 0.00 72.50 67.98 3knm s THR 22 CO 0.38 -0.52 1.30 0.00 -0.69 0.00 0.00 174.62 175.10 3knm n LEU 23 N 8.11 3.87 0.00 4.42 -0.00 -0.95 0.67 117.00 133.12 3knm n LEU 23 Ca 0.16 1.17 0.00 0.00 -0.00 0.00 0.00 56.01 57.34 3knm n LEU 23 Cb 0.47 -1.50 0.00 0.00 -0.00 0.00 0.00 43.42 42.38 3knm n LEU 23 CO 0.65 -0.49 0.00 0.61 -0.00 0.00 0.00 177.39 178.16 3knm n GLY 24 N 0.75 2.03 0.26 1.47 0.00 -1.26 -4.54 105.19 103.90 3knm n GLY 24 Ca 0.05 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.45 3knm n GLY 24 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3knm h ARG 25 N 0.00 -0.01 0.33 1.61 2.47 -1.61 -0.85 114.38 116.33 3knm h ARG 25 Ca 0.00 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 3knm h ARG 25 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 3knm h ARG 25 CO 0.00 -0.00 -0.16 1.25 0.56 0.00 0.00 179.97 181.62 3knm h LEU 26 N -0.01 -0.38 -0.49 3.04 5.85 0.00 -3.37 115.31 119.96 3knm h LEU 26 Ca 0.33 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.92 3knm h LEU 26 Cb 0.50 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.57 3knm h LEU 26 CO -0.71 0.02 -0.29 0.00 -0.34 0.00 0.00 178.44 177.12 3knm n ALA 27 N -2.52 -0.32 -0.29 1.25 0.00 -0.38 -1.38 120.51 116.86 3knm n ALA 27 Ca -0.09 0.42 0.06 0.00 0.00 0.00 0.00 53.44 53.82 3knm n ALA 27 Cb 0.27 0.06 0.13 0.00 0.00 0.00 0.00 19.45 19.91 3knm n ALA 27 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3knm n THR 28 N -4.18 -0.34 0.22 0.00 -2.24 -0.85 0.12 114.28 107.00 3knm n THR 28 Ca 0.01 1.83 -0.16 0.00 -2.27 0.00 0.00 64.05 63.46 3knm n THR 28 Cb 0.13 -2.55 -0.08 0.00 -2.10 0.00 0.00 70.33 65.73 3knm n THR 28 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3knm h LYS 29 N 0.00 -0.73 -1.21 -0.78 1.57 -1.42 -1.29 116.57 112.70 3knm h LYS 29 Ca 0.40 0.05 0.36 0.00 -1.87 0.00 0.00 60.65 59.59 3knm h LYS 29 Cb 0.63 0.17 -0.10 0.00 0.08 0.00 0.00 32.23 33.00 3knm h LYS 29 CO -0.82 -0.49 0.80 0.82 -0.57 0.00 0.00 179.45 179.19 3knm h ILE 30 N -0.76 0.31 -0.03 1.86 2.04 0.97 0.32 117.51 122.22 3knm h ILE 30 Ca -0.02 -0.07 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 3knm h ILE 30 Cb 0.70 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 3knm h ILE 30 CO -0.09 0.04 -0.13 0.00 0.00 0.00 0.00 178.15 177.97 3knm h ALA 31 N 1.56 0.05 -0.36 1.87 0.00 -0.40 -0.30 119.26 121.67 3knm h ALA 31 Ca 0.70 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 55.24 3knm h ALA 31 Cb 2.14 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.91 3knm h ALA 31 CO -0.31 -0.03 0.24 1.15 0.00 0.00 0.00 179.25 180.31 3knm h THR 32 N -0.47 1.08 0.01 0.00 2.02 0.44 0.38 112.91 116.36 3knm h THR 32 Ca -0.01 -0.16 -0.19 0.00 0.77 0.00 0.00 66.41 66.82 3knm h THR 32 Cb 0.79 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 3knm h THR 32 CO 0.03 0.09 -0.86 -0.07 0.37 0.00 0.00 175.52 175.07 3knm h LEU 33 N 0.47 0.12 -1.20 2.58 4.07 -0.52 -3.10 115.31 117.73 3knm h LEU 33 Ca 0.14 -0.10 -0.08 0.00 0.08 0.00 0.00 57.88 57.92 3knm h LEU 33 Cb -0.01 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.68 3knm h LEU 33 CO -0.03 0.92 -0.33 -0.07 -1.08 0.00 0.00 178.44 177.85 3knm h LEU 34 N 0.05 0.12 -9.78 1.67 4.07 0.14 0.28 115.31 111.86 3knm h LEU 34 Ca -0.03 -0.04 -0.58 0.00 0.08 0.00 0.00 57.88 57.31 3knm h LEU 34 Cb 1.50 -0.03 -0.07 0.00 1.08 0.00 0.00 40.66 43.14 3knm h LEU 34 CO 0.12 0.45 -0.56 -0.13 -1.08 0.00 0.00 178.44 177.24 3knm s ARG 35 N -4.29 2.97 -1.18 1.13 0.52 0.57 -3.57 118.95 115.10 3knm s ARG 35 Ca -0.04 -0.80 -0.22 0.00 -0.52 0.00 0.00 55.73 54.15 3knm s ARG 35 Cb 0.14 -2.70 -0.06 0.00 0.52 0.00 0.00 34.95 32.85 3knm s ARG 35 CO 0.74 0.50 1.90 0.20 0.02 0.00 0.00 175.30 178.66 3knm s GLY 36 N -3.00 0.39 -0.02 -3.53 0.00 -1.26 -4.28 107.32 95.63 3knm s GLY 36 Ca 0.31 -2.23 0.08 0.00 0.00 0.00 0.00 44.72 42.88 3knm s GLY 36 CO 0.24 3.42 0.16 1.17 0.00 0.00 0.00 173.10 178.09 3knm n LYS 37 N 8.34 0.42 -0.05 2.90 3.00 -1.19 -3.70 118.16 127.88 3knm n LYS 37 Ca 0.45 -0.07 0.12 0.00 -0.00 0.00 0.00 58.31 58.81 3knm n LYS 37 Cb 0.47 -1.18 0.15 0.00 0.00 0.00 0.00 35.03 34.46 3knm n LYS 37 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 3knm n HIS 38 N -1.81 0.13 -3.63 5.64 1.44 -1.26 -4.87 115.22 110.86 3knm n HIS 38 Ca -0.02 -0.07 -0.36 0.00 -2.01 0.00 0.00 57.72 55.26 3knm n HIS 38 Cb 0.24 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.28 3knm n HIS 38 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 3knm s ARG 39 N -1.87 4.04 0.00 -1.40 0.52 -1.26 -4.92 118.95 114.06 3knm s ARG 39 Ca 0.31 0.04 0.00 0.00 -0.52 0.00 0.00 55.73 55.56 3knm s ARG 39 Cb 0.21 -3.35 0.00 0.00 0.52 0.00 0.00 34.95 32.33 3knm s ARG 39 CO 0.31 0.42 0.47 -0.35 0.02 0.00 0.00 175.30 176.16 3knm n PRO 40 N 3.01 0.55 -0.07 3.54 -0.04 -1.26 -2.46 135.00 138.27 3knm n PRO 40 Ca -0.14 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.12 3knm n PRO 40 Cb 0.53 -1.08 -0.13 0.00 -0.04 0.00 0.00 33.50 32.78 3knm n PRO 40 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3knm h ASP 41 N 0.13 0.09 0.00 3.54 3.32 -1.91 -3.49 116.42 118.10 3knm h ASP 41 Ca 0.00 -0.76 0.00 0.00 0.02 0.00 0.00 57.03 56.29 3knm h ASP 41 Cb 0.08 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3knm h ASP 41 CO 0.00 1.35 0.00 1.87 -1.72 0.00 0.00 179.24 180.74 3knm n TRP 42 N -4.37 0.00 -3.97 4.55 -0.00 -1.03 -4.83 117.44 107.79 3knm n TRP 42 Ca -0.23 0.00 -0.30 0.00 -0.00 0.00 0.00 57.50 56.97 3knm n TRP 42 Cb 0.67 0.00 -0.16 0.00 -0.00 0.00 0.00 31.31 31.82 3knm n TRP 42 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 3knm s THR 43 N 0.00 1.52 0.63 5.87 2.01 -1.26 -5.02 115.64 119.38 3knm s THR 43 Ca 0.00 -0.91 0.35 0.00 0.31 0.00 0.00 61.69 61.45 3knm s THR 43 Cb 0.00 -1.61 0.38 0.00 0.01 0.00 0.00 72.50 71.29 3knm s THR 43 CO 0.00 0.17 2.22 1.55 -0.69 0.00 0.00 174.62 177.87 3knm h PRO 44 N 8.01 0.00 -1.94 4.92 0.13 -1.94 -3.29 132.00 137.89 3knm h PRO 44 Ca -0.27 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.15 3knm h PRO 44 Cb 1.10 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.91 3knm h PRO 44 CO 0.46 0.00 0.40 0.27 -0.23 0.00 0.00 178.00 178.90 3knm n ASN 45 N -3.41 6.43 0.00 1.44 0.23 -1.26 -4.80 115.26 113.90 3knm n ASN 45 Ca -0.02 -3.77 0.00 0.00 -0.53 0.00 0.00 54.58 50.27 3knm n ASN 45 Cb 0.18 -0.87 0.00 0.00 -2.08 0.00 0.00 39.78 37.01 3knm n ASN 45 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 3knm n VAL 46 N -0.41 0.00 -0.49 3.53 3.14 -1.24 -5.13 118.33 117.73 3knm n VAL 46 Ca 0.46 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.84 3knm n VAL 46 Cb 0.37 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.15 3knm n VAL 46 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3knm n ALA 47 N -1.42 -0.98 0.00 1.55 0.00 -1.26 -5.04 120.51 113.37 3knm n ALA 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3knm n ALA 47 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3knm n ALA 47 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3knm n MET 48 N 0.18 6.39 -1.61 0.00 0.00 -1.26 -4.99 117.12 115.82 3knm n MET 48 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 57.70 57.20 3knm n MET 48 Cb 0.00 -0.53 -0.05 0.00 0.00 0.00 0.00 33.22 32.64 3knm n MET 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3knm n GLY 49 N 1.10 0.51 3.17 3.03 0.00 -1.23 -4.64 105.19 107.11 3knm n GLY 49 Ca 0.00 0.64 -0.35 0.00 0.00 0.00 0.00 46.02 46.31 3knm n GLY 49 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3knm n ASP 50 N 2.53 -3.05 -4.26 1.61 9.92 0.98 -4.74 116.55 119.55 3knm n ASP 50 Ca 0.17 0.02 -0.44 0.00 -0.53 0.00 0.00 54.79 54.02 3knm n ASP 50 Cb 0.23 -0.81 -0.05 0.00 -0.64 0.00 0.00 41.12 39.85 3knm n ASP 50 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 3knm s PHE 51 N -2.15 3.60 0.10 1.24 0.40 -0.77 -4.34 117.98 116.07 3knm s PHE 51 Ca 0.47 -2.13 -0.30 0.00 -0.60 0.00 0.00 56.93 54.37 3knm s PHE 51 Cb -0.06 -3.63 -0.06 0.00 0.51 0.00 0.00 43.02 39.78 3knm s PHE 51 CO 0.69 -0.95 1.09 0.08 0.70 0.00 0.00 175.22 176.82 3knm s VAL 52 N 0.30 4.18 -0.33 -0.44 1.01 -1.23 -2.46 120.40 121.42 3knm s VAL 52 Ca 0.16 1.71 0.02 0.00 0.00 0.00 0.00 61.98 63.86 3knm s VAL 52 Cb -0.16 -4.09 0.09 0.00 0.00 0.00 0.00 36.38 32.22 3knm s VAL 52 CO -0.06 0.21 0.03 -0.69 0.00 0.00 0.00 175.10 174.59 3knm s VAL 53 N 0.40 2.50 -0.06 2.92 1.01 0.15 -1.97 120.40 125.36 3knm s VAL 53 Ca 0.52 -2.00 -0.23 0.00 0.00 0.00 0.00 61.98 60.27 3knm s VAL 53 Cb -0.27 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 3knm s VAL 53 CO 0.31 -0.41 0.68 -0.69 0.00 0.00 0.00 175.10 174.99 3knm s VAL 54 N 1.03 5.03 0.24 2.92 1.01 -0.92 -0.82 120.40 128.89 3knm s VAL 54 Ca 0.03 1.40 0.11 0.00 0.00 0.00 0.00 61.98 63.52 3knm s VAL 54 Cb -0.20 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.12 3knm s VAL 54 CO -0.06 0.28 -0.14 0.54 0.00 0.00 0.00 175.10 175.72 3knm s VAL 55 N 0.65 2.83 -0.71 2.92 0.11 -0.66 -1.88 120.40 123.66 3knm s VAL 55 Ca 0.36 -2.07 -0.07 0.00 -2.93 0.00 0.00 61.98 57.27 3knm s VAL 55 Cb -0.18 -2.45 0.01 0.00 -1.53 0.00 0.00 36.38 32.23 3knm s VAL 55 CO 0.18 -0.28 0.64 -3.20 -3.33 0.00 0.00 175.10 169.11 3knm n ASN 56 N -0.39 -6.26 -0.88 3.54 4.05 0.08 -1.85 115.26 113.54 3knm n ASN 56 Ca -0.08 -0.40 0.00 0.00 0.45 0.00 0.00 54.58 54.55 3knm n ASN 56 Cb 0.58 -3.30 0.00 0.00 1.23 0.00 0.00 39.78 38.29 3knm n ASN 56 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3knm n ALA 57 N -1.77 0.00 -0.39 5.20 0.00 0.13 -2.58 120.51 121.11 3knm n ALA 57 Ca -0.14 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.33 3knm n ALA 57 Cb 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.05 3knm n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3knm n ASP 58 N 0.00 -1.07 0.00 0.00 5.75 -1.26 -4.17 116.55 115.80 3knm n ASP 58 Ca 0.00 0.10 0.00 0.00 -0.01 0.00 0.00 54.79 54.88 3knm n ASP 58 Cb 0.00 -1.41 0.00 0.00 -1.03 0.00 0.00 41.12 38.68 3knm n ASP 58 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3knm n LYS 59 N -1.59 0.00 -1.59 0.11 4.76 -1.26 -4.64 118.16 113.95 3knm n LYS 59 Ca -0.00 0.00 -0.55 0.00 -2.87 0.00 0.00 58.31 54.89 3knm n LYS 59 Cb 0.52 -0.40 -0.07 0.00 -1.84 0.00 0.00 35.03 33.25 3knm n LYS 59 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 3knm n ILE 60 N 0.00 0.03 -2.54 -0.18 -5.35 -0.41 -4.46 119.36 106.46 3knm n ILE 60 Ca 0.00 -0.01 -0.27 0.00 -0.27 0.00 0.00 62.75 62.21 3knm n ILE 60 Cb 0.00 -0.67 0.02 0.00 -1.74 0.00 0.00 39.64 37.25 3knm n ILE 60 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3knm s ARG 61 N 0.73 3.21 0.03 6.28 1.81 -0.83 -4.84 118.95 125.34 3knm s ARG 61 Ca 0.88 0.06 0.00 0.00 -1.72 0.00 0.00 55.73 54.95 3knm s ARG 61 Cb -1.05 -2.34 -0.03 0.00 -0.45 0.00 0.00 34.95 31.09 3knm s ARG 61 CO 0.52 -0.45 -0.04 0.54 -0.68 0.00 0.00 175.30 175.18 3knm s VAL 62 N -2.85 0.27 0.00 3.52 0.11 -1.26 -2.25 120.40 117.93 3knm s VAL 62 Ca 0.51 -1.15 0.00 0.00 -2.93 0.00 0.00 61.98 58.41 3knm s VAL 62 Cb -0.10 -0.62 0.00 0.00 -1.53 0.00 0.00 36.38 34.13 3knm s VAL 62 CO 0.45 -0.57 0.00 0.41 -3.33 0.00 0.00 175.10 172.06 3knm n THR 63 N 1.25 0.00 0.00 5.04 -1.04 -1.26 -4.92 114.28 113.35 3knm n THR 63 Ca -0.22 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 3knm n THR 63 Cb 0.56 -0.14 0.00 0.00 -1.82 0.00 0.00 70.33 68.93 3knm n THR 63 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3knm n GLY 64 N 5.00 0.00 2.20 3.41 0.00 -1.26 -3.07 105.19 111.47 3knm n GLY 64 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3knm n GLY 64 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3knm n LYS 65 N 0.00 3.33 0.48 1.61 2.85 -1.26 -4.86 118.16 120.31 3knm n LYS 65 Ca 0.00 -3.97 -0.20 0.00 -1.05 0.00 0.00 58.31 53.09 3knm n LYS 65 Cb 0.00 -2.28 -0.10 0.00 -0.65 0.00 0.00 35.03 32.01 3knm n LYS 65 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 3knm h LYS 66 N 2.23 -1.18 -1.46 -1.58 1.57 -1.89 -1.22 116.57 113.03 3knm h LYS 66 Ca 0.43 0.08 0.42 0.00 -1.87 0.00 0.00 60.65 59.71 3knm h LYS 66 Cb 1.21 0.27 -0.06 0.00 0.08 0.00 0.00 32.23 33.73 3knm h LYS 66 CO 1.00 -0.78 1.24 1.28 -0.57 0.00 0.00 179.45 181.62 3knm n LEU 67 N -5.62 0.00 -0.08 2.94 4.32 -1.26 0.16 117.00 117.46 3knm n LEU 67 Ca -0.16 0.83 -0.09 0.00 -0.02 0.00 0.00 56.01 56.57 3knm n LEU 67 Cb 0.49 -0.37 -0.04 0.00 -1.62 0.00 0.00 43.42 41.88 3knm n LEU 67 CO 0.39 -0.83 -0.41 -0.62 -1.22 0.00 0.00 177.39 174.70 3knm n GLU 68 N -3.48 0.48 0.02 3.23 -0.58 -1.12 -0.29 120.64 118.90 3knm n GLU 68 Ca 0.33 0.53 0.13 0.00 -0.42 0.00 0.00 57.16 57.73 3knm n GLU 68 Cb 1.68 -1.70 0.43 0.00 -0.57 0.00 0.00 31.44 31.28 3knm n GLU 68 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3knm n GLN 69 N -4.56 0.06 -2.66 3.49 6.02 0.17 -4.69 117.38 115.21 3knm n GLN 69 Ca -0.14 0.04 -0.43 0.00 -0.01 0.00 0.00 57.00 56.45 3knm n GLN 69 Cb 0.38 -1.56 -0.02 0.00 1.02 0.00 0.00 30.24 30.06 3knm n GLN 69 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3knm s LYS 70 N -3.03 4.14 -0.16 -1.09 2.47 0.42 -4.99 119.74 117.51 3knm s LYS 70 Ca 0.12 1.18 0.01 0.00 -1.56 0.00 0.00 55.97 55.72 3knm s LYS 70 Cb 0.17 -3.70 0.01 0.00 -1.46 0.00 0.00 37.83 32.86 3knm s LYS 70 CO 0.61 -0.78 -0.20 0.42 0.16 0.00 0.00 175.35 175.56 3knm s ILE 71 N 3.44 2.11 -0.08 5.43 1.01 -1.26 -0.37 121.20 131.47 3knm s ILE 71 Ca 0.44 -0.94 -0.16 0.00 0.00 0.00 0.00 60.65 59.99 3knm s ILE 71 Cb -0.13 -1.87 -0.05 0.00 0.01 0.00 0.00 42.46 40.42 3knm s ILE 71 CO 0.11 0.54 0.42 -0.31 0.00 0.00 0.00 174.94 175.71 3knm s TYR 72 N 1.08 3.58 -0.15 3.97 4.12 0.37 -4.85 117.35 125.47 3knm s TYR 72 Ca -0.00 0.88 -0.01 0.00 0.02 0.00 0.00 57.07 57.96 3knm s TYR 72 Cb -0.14 -2.43 0.04 0.00 -1.52 0.00 0.00 41.96 37.91 3knm s TYR 72 CO -0.08 0.34 -0.04 0.95 0.02 0.00 0.00 175.55 176.74 3knm s THR 73 N 0.03 0.93 0.33 -0.71 -4.23 -1.26 -0.16 115.64 110.57 3knm s THR 73 Ca 0.24 -0.48 -0.01 0.00 -1.18 0.00 0.00 61.69 60.25 3knm s THR 73 Cb -0.15 -1.13 -0.04 0.00 1.34 0.00 0.00 72.50 72.52 3knm s THR 73 CO 0.10 0.13 0.55 -0.13 -0.54 0.00 0.00 174.62 174.74 3knm s ARG 74 N 1.71 3.53 -0.20 3.99 0.52 -0.49 -4.88 118.95 123.13 3knm s ARG 74 Ca 0.02 -0.21 -0.04 0.00 -0.52 0.00 0.00 55.73 54.97 3knm s ARG 74 Cb -0.15 -2.65 0.07 0.00 0.52 0.00 0.00 34.95 32.74 3knm s ARG 74 CO -0.07 0.16 0.09 -0.47 0.02 0.00 0.00 175.30 175.03 3knm s TYR 75 N -2.25 0.37 0.67 -0.53 5.04 -1.25 -0.74 117.35 118.66 3knm s TYR 75 Ca 0.41 -0.52 -0.11 0.00 -2.44 0.00 0.00 57.07 54.41 3knm s TYR 75 Cb -0.10 -0.80 -0.01 0.00 0.35 0.00 0.00 41.96 41.40 3knm s TYR 75 CO 0.35 -0.59 1.05 -1.54 -1.34 0.00 0.00 175.55 173.48 3knm s SER 76 N 2.08 5.63 0.63 4.32 1.04 -0.72 -4.91 113.70 121.77 3knm s SER 76 Ca 0.03 1.58 0.32 0.00 0.48 0.00 0.00 55.95 58.37 3knm s SER 76 Cb -0.16 -2.49 1.80 0.00 0.10 0.00 0.00 66.02 65.27 3knm s SER 76 CO -0.14 -1.27 2.09 1.23 0.98 0.00 0.00 173.24 176.13 3knm h GLY 77 N -0.51 0.00 -1.16 7.32 0.00 -2.00 -3.43 103.07 103.29 3knm h GLY 77 Ca -0.44 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.40 3knm h GLY 77 CO 0.58 0.00 0.30 -0.19 0.00 0.00 0.00 176.54 177.23 3knm s TYR 78 N -4.37 2.59 0.19 5.60 1.51 -1.26 -4.97 117.35 116.64 3knm s TYR 78 Ca -0.04 1.31 -0.30 0.00 -1.01 0.00 0.00 57.07 57.03 3knm s TYR 78 Cb 0.13 -3.10 -0.08 0.00 -0.11 0.00 0.00 41.96 38.80 3knm s TYR 78 CO 0.43 -1.98 1.18 -2.14 -1.11 0.00 0.00 175.55 171.94 3knm s PRO 79 N -5.00 4.51 0.00 -1.71 0.02 -1.26 -1.56 135.00 130.00 3knm s PRO 79 Ca 0.62 1.86 0.00 0.00 0.02 0.00 0.00 61.00 63.49 3knm s PRO 79 Cb -0.16 -3.24 0.00 0.00 0.02 0.00 0.00 34.50 31.12 3knm s PRO 79 CO 0.56 -0.05 0.00 0.41 -0.33 0.00 0.00 177.00 177.58 3knm n GLY 80 N 2.09 1.50 0.34 0.52 0.00 -1.26 -4.88 105.19 103.49 3knm n GLY 80 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3knm n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knm n GLY 81 N -2.00 0.00 3.57 -0.02 0.00 -0.60 -4.59 105.19 101.55 3knm n GLY 81 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3knm n GLY 81 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3knm s LEU 82 N -0.31 4.28 -0.37 0.99 2.96 -1.26 -1.76 118.68 123.22 3knm s LEU 82 Ca 0.00 0.10 -0.06 0.00 -0.22 0.00 0.00 54.13 53.95 3knm s LEU 82 Cb 0.00 -2.68 0.06 0.00 0.50 0.00 0.00 46.19 44.07 3knm s LEU 82 CO 0.00 -0.51 0.15 -0.54 -1.32 0.00 0.00 176.35 174.13 3knm s LYS 83 N 2.52 2.50 -0.02 1.98 -0.14 0.08 -4.99 119.74 121.67 3knm s LYS 83 Ca 0.21 -1.36 -0.12 0.00 -1.36 0.00 0.00 55.97 53.34 3knm s LYS 83 Cb -0.15 -3.53 -0.05 0.00 -1.68 0.00 0.00 37.83 32.42 3knm s LYS 83 CO 0.13 -0.80 0.34 0.15 -0.76 0.00 0.00 175.35 174.42 3knm s LYS 84 N 1.35 3.79 -0.05 1.68 1.02 -1.26 -1.40 119.74 124.87 3knm s LYS 84 Ca 0.01 0.26 -0.02 0.00 0.02 0.00 0.00 55.97 56.24 3knm s LYS 84 Cb -0.21 -3.19 0.03 0.00 -0.52 0.00 0.00 37.83 33.94 3knm s LYS 84 CO 0.01 0.70 0.11 0.96 -0.92 0.00 0.00 175.35 176.22 3knm s ILE 85 N -1.10 -0.05 0.54 2.17 -4.36 0.77 -4.97 121.20 114.21 3knm s ILE 85 Ca 0.23 0.17 -0.10 0.00 -0.26 0.00 0.00 60.65 60.68 3knm s ILE 85 Cb -0.15 -0.19 -0.05 0.00 1.25 0.00 0.00 42.46 43.32 3knm s ILE 85 CO 0.12 0.07 0.92 -2.16 0.24 0.00 0.00 174.94 174.13 3knm s PRO 86 N 1.01 3.65 0.12 0.37 0.04 -1.26 0.14 135.00 139.08 3knm s PRO 86 Ca -0.08 0.59 -0.32 0.00 0.04 0.00 0.00 61.00 61.23 3knm s PRO 86 Cb -0.10 -2.21 -0.10 0.00 0.04 0.00 0.00 34.50 32.13 3knm s PRO 86 CO -0.05 -0.36 1.57 1.25 0.04 0.00 0.00 177.00 179.46 3knm h LEU 87 N 0.20 -1.44 -0.99 -3.56 6.46 -0.67 -1.35 115.31 113.95 3knm h LEU 87 Ca -0.46 0.17 0.25 0.00 -0.12 0.00 0.00 57.88 57.72 3knm h LEU 87 Cb 1.19 0.56 -0.19 0.00 -0.73 0.00 0.00 40.66 41.49 3knm h LEU 87 CO 0.62 -0.49 -0.06 -0.62 -0.62 0.00 0.00 178.44 177.27 3knm n GLU 88 N -5.46 -0.08 -0.10 1.25 1.02 0.60 -0.11 120.64 117.76 3knm n GLU 88 Ca -0.06 1.50 -0.09 0.00 -0.02 0.00 0.00 57.16 58.50 3knm n GLU 88 Cb 0.38 -2.34 -0.01 0.00 -0.02 0.00 0.00 31.44 29.45 3knm n GLU 88 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3knm h LYS 89 N 0.00 0.45 -0.23 3.49 1.79 -1.52 -0.06 116.57 120.49 3knm h LYS 89 Ca 0.56 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.98 3knm h LYS 89 Cb 1.08 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.61 3knm h LYS 89 CO -0.96 0.30 0.03 0.52 -1.08 0.00 0.00 179.45 178.26 3knm h MET 90 N 0.46 0.33 0.18 3.15 2.86 -0.03 -2.44 114.93 119.44 3knm h MET 90 Ca 0.13 -0.05 -0.32 0.00 -2.06 0.00 0.00 59.70 57.40 3knm h MET 90 Cb -0.05 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 31.56 3knm h MET 90 CO -0.03 0.33 -1.52 -0.07 1.06 0.00 0.00 176.91 176.69 3knm h LEU 91 N 0.33 0.60 -1.85 1.22 4.07 -1.16 -0.26 115.31 118.26 3knm h LEU 91 Ca 0.08 -0.73 0.06 0.00 0.08 0.00 0.00 57.88 57.37 3knm h LEU 91 Cb 0.17 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.71 3knm h LEU 91 CO -0.00 1.59 0.45 0.00 -1.08 0.00 0.00 178.44 179.40 3knm h ALA 92 N 0.32 1.75 -1.92 1.53 0.00 -0.55 -3.28 119.26 117.11 3knm h ALA 92 Ca -0.25 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 3knm h ALA 92 Cb 2.08 0.02 -0.22 0.00 0.00 0.00 0.00 17.79 19.66 3knm h ALA 92 CO 0.21 -0.55 0.20 -0.08 0.00 0.00 0.00 179.25 179.02 3knm s THR 93 N -4.32 0.00 -1.64 0.00 -1.32 -0.99 -4.92 115.64 102.45 3knm s THR 93 Ca -0.04 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.43 3knm s THR 93 Cb 0.11 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.10 3knm s THR 93 CO 0.38 0.00 0.20 1.41 -2.21 0.00 0.00 174.62 174.40 3knm n HIS 94 N 2.62 -1.28 0.21 9.09 8.25 -1.24 -4.32 115.22 128.56 3knm n HIS 94 Ca -0.14 0.17 0.18 0.00 -0.26 0.00 0.00 57.72 57.68 3knm n HIS 94 Cb 0.55 -4.04 0.84 0.00 1.12 0.00 0.00 29.99 28.46 3knm n HIS 94 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3knm h PRO 95 N -0.46 0.00 0.00 -0.41 0.13 -1.10 -1.88 132.00 128.28 3knm h PRO 95 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3knm h PRO 95 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 3knm h PRO 95 CO 0.56 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.38 3knm h GLU 96 N 0.00 0.00 0.07 0.86 9.09 -1.90 -1.98 114.58 120.73 3knm h GLU 96 Ca 0.09 0.00 -0.25 0.00 0.05 0.00 0.00 59.36 59.25 3knm h GLU 96 Cb 0.61 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.70 3knm h GLU 96 CO -0.00 0.00 -1.18 0.00 0.05 0.00 0.00 179.01 177.88 3knm h ARG 97 N 0.00 0.16 -0.71 1.06 3.08 -1.66 -3.01 114.38 113.29 3knm h ARG 97 Ca 0.00 -0.27 0.14 0.00 0.07 0.00 0.00 59.98 59.92 3knm h ARG 97 Cb 0.03 0.10 -0.13 0.00 0.08 0.00 0.00 29.97 30.04 3knm h ARG 97 CO 0.00 1.11 -0.22 0.28 -1.07 0.00 0.00 179.97 180.07 3knm h VAL 98 N 0.04 0.24 0.40 2.04 2.07 -1.53 0.69 116.25 120.20 3knm h VAL 98 Ca -0.10 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 3knm h VAL 98 Cb 1.90 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 3knm h VAL 98 CO 0.17 0.00 -0.19 0.25 0.02 0.00 0.00 177.57 177.82 3knm h LEU 99 N -0.03 -0.45 0.00 2.57 7.12 -1.70 -2.99 115.31 119.83 3knm h LEU 99 Ca 0.33 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.35 3knm h LEU 99 Cb 0.54 0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.79 3knm h LEU 99 CO -0.75 -0.13 0.00 -0.62 -0.13 0.00 0.00 178.44 176.81 3knm n GLU 100 N -4.49 0.00 -0.33 1.25 1.02 -0.74 0.68 120.64 118.03 3knm n GLU 100 Ca -0.07 0.91 0.32 0.00 -0.02 0.00 0.00 57.16 58.31 3knm n GLU 100 Cb 0.21 -1.43 0.59 0.00 -0.02 0.00 0.00 31.44 30.79 3knm n GLU 100 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3knm h HIS 101 N 0.00 0.82 0.61 -0.32 2.76 0.21 0.89 115.15 120.11 3knm h HIS 101 Ca 0.00 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.19 3knm h HIS 101 Cb 0.00 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 28.76 3knm h HIS 101 CO -0.77 -0.45 -0.40 0.00 -1.30 0.00 0.00 177.93 175.01 3knm h ALA 102 N 1.97 -0.99 0.10 5.26 0.00 0.41 -2.74 119.26 123.26 3knm h ALA 102 Ca 0.84 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.56 3knm h ALA 102 Cb 2.25 0.50 0.00 0.00 0.00 0.00 0.00 17.79 20.55 3knm h ALA 102 CO -0.74 -1.08 -0.05 0.28 0.00 0.00 0.00 179.25 177.67 3knm h VAL 103 N -0.96 0.91 -1.47 0.00 2.07 0.20 -2.46 116.25 114.54 3knm h VAL 103 Ca -0.07 -0.02 0.43 0.00 0.82 0.00 0.00 66.70 67.86 3knm h VAL 103 Cb 0.79 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 31.42 3knm h VAL 103 CO 0.06 0.00 1.13 0.50 0.02 0.00 0.00 177.57 179.28 3knm h LYS 104 N -0.14 0.00 -0.03 1.57 3.64 -0.80 0.76 116.57 121.57 3knm h LYS 104 Ca -0.01 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.20 3knm h LYS 104 Cb 0.11 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.94 3knm h LYS 104 CO 0.02 0.00 -0.65 0.78 -2.27 0.00 0.00 179.45 177.33 3knm h GLY 105 N 0.00 0.55 1.00 5.01 0.00 -1.12 -3.25 103.07 105.25 3knm h GLY 105 Ca 0.70 -0.90 0.00 0.00 0.00 0.00 0.00 47.33 47.13 3knm h GLY 105 CO -0.01 0.80 -0.01 1.03 0.00 0.00 0.00 176.54 178.35 3knm n MET 106 N -4.16 0.88 -2.59 4.80 2.81 0.26 -4.83 117.12 114.29 3knm n MET 106 Ca -0.10 -0.11 -0.27 0.00 -1.81 0.00 0.00 57.70 55.41 3knm n MET 106 Cb 0.69 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.71 3knm n MET 106 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3knm s LEU 107 N -2.20 3.53 1.10 4.03 1.43 -0.66 -5.02 118.68 120.89 3knm s LEU 107 Ca 0.40 0.85 -0.12 0.00 -1.03 0.00 0.00 54.13 54.24 3knm s LEU 107 Cb 0.21 -3.78 0.25 0.00 0.03 0.00 0.00 46.19 42.90 3knm s LEU 107 CO 0.40 -0.70 1.06 -2.84 0.23 0.00 0.00 176.35 174.51 3knm s PRO 108 N -4.80 -0.43 -0.11 1.29 0.02 -1.26 -5.00 135.00 124.71 3knm s PRO 108 Ca 0.49 1.11 -0.27 0.00 0.02 0.00 0.00 61.00 62.35 3knm s PRO 108 Cb -0.10 -1.59 -0.24 0.00 0.02 0.00 0.00 34.50 32.59 3knm s PRO 108 CO 0.45 -3.47 0.84 0.87 -0.33 0.00 0.00 177.00 175.36 3knm h LYS 109 N -2.46 -0.01 0.00 5.54 1.57 -1.96 -3.41 116.57 115.85 3knm h LYS 109 Ca -0.56 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 3knm h LYS 109 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 3knm h LYS 109 CO 0.47 0.83 0.00 0.41 -0.57 0.00 0.00 179.45 180.59 3knm n GLY 110 N 1.31 -2.92 0.46 3.86 0.00 -1.26 -4.61 105.19 102.04 3knm n GLY 110 Ca -0.09 -0.98 -0.18 0.00 0.00 0.00 0.00 46.02 44.77 3knm n GLY 110 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3knm h PRO 111 N 0.00 -0.97 -1.01 1.61 0.11 -2.00 -2.08 132.00 127.65 3knm h PRO 111 Ca 0.00 0.07 0.26 0.00 0.11 0.00 0.00 66.00 66.43 3knm h PRO 111 Cb 0.00 0.22 -0.13 0.00 0.11 0.00 0.00 31.00 31.20 3knm h PRO 111 CO 0.00 -0.65 0.60 1.25 -0.21 0.00 0.00 178.00 178.99 3knm h LEU 112 N -1.01 0.64 0.12 2.35 5.85 -1.96 0.14 115.31 121.43 3knm h LEU 112 Ca -0.07 0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 3knm h LEU 112 Cb 0.84 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 3knm h LEU 112 CO 0.03 0.07 -0.17 1.23 -0.34 0.00 0.00 178.44 179.26 3knm h GLY 113 N 0.54 -1.01 0.23 3.75 0.00 -1.61 0.11 103.07 105.08 3knm h GLY 113 Ca 0.66 0.46 0.09 0.00 0.00 0.00 0.00 47.33 48.54 3knm h GLY 113 CO -0.48 -0.34 0.00 3.21 0.00 0.00 0.00 176.54 178.93 3knm h ARG 114 N -0.30 0.11 -0.98 4.80 3.08 -0.99 0.57 114.38 120.67 3knm h ARG 114 Ca -0.01 -0.01 0.19 0.00 0.07 0.00 0.00 59.98 60.22 3knm h ARG 114 Cb 0.27 -0.03 -0.10 0.00 0.08 0.00 0.00 29.97 30.20 3knm h ARG 114 CO -0.05 0.07 0.61 -0.09 -1.07 0.00 0.00 179.97 179.45 3knm h ARG 115 N 0.12 0.66 0.60 0.04 2.43 -0.75 -1.13 114.38 116.35 3knm h ARG 115 Ca 0.23 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.34 3knm h ARG 115 Cb 0.35 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3knm h ARG 115 CO -0.39 0.44 -0.29 -0.07 -1.51 0.00 0.00 179.97 178.15 3knm h LEU 116 N 0.68 -0.68 -1.41 3.80 3.38 0.14 -2.97 115.31 118.25 3knm h LEU 116 Ca 0.55 0.02 0.41 0.00 0.09 0.00 0.00 57.88 58.95 3knm h LEU 116 Cb 0.97 0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.83 3knm h LEU 116 CO -0.32 -0.28 1.26 0.33 0.09 0.00 0.00 178.44 179.52 3knm n PHE 117 N -5.30 0.00 0.48 1.13 7.35 -0.41 0.45 117.46 121.16 3knm n PHE 117 Ca -0.10 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.72 3knm n PHE 117 Cb 0.32 -0.35 0.42 0.00 0.35 0.00 0.00 39.48 40.21 3knm n PHE 117 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 3knm h LYS 118 N 0.00 0.00 0.00 -4.13 1.57 -1.15 -2.93 116.57 109.93 3knm h LYS 118 Ca 0.67 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.45 3knm h LYS 118 Cb 3.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 35.50 3knm h LYS 118 CO -0.01 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.41 3knm n ARG 119 N -2.44 0.20 -3.62 3.15 5.12 1.56 -4.77 116.66 115.86 3knm n ARG 119 Ca 0.04 0.28 -0.38 0.00 -1.93 0.00 0.00 57.85 55.86 3knm n ARG 119 Cb 0.38 -1.79 -0.06 0.00 -1.16 0.00 0.00 32.46 29.84 3knm n ARG 119 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3knm s LEU 120 N -4.29 4.42 -0.36 0.55 0.20 -1.11 -3.55 118.68 114.55 3knm s LEU 120 Ca 0.08 0.76 0.02 0.00 0.69 0.00 0.00 54.13 55.69 3knm s LEU 120 Cb 0.12 -2.40 0.11 0.00 -0.43 0.00 0.00 46.19 43.58 3knm s LEU 120 CO 0.49 0.32 0.10 -0.54 -0.29 0.00 0.00 176.35 176.44 3knm s LYS 121 N -0.87 1.27 -0.10 1.98 3.01 -0.83 -5.02 119.74 119.18 3knm s LYS 121 Ca 0.20 -1.71 -0.16 0.00 -1.01 0.00 0.00 55.97 53.29 3knm s LYS 121 Cb -0.15 -2.77 -0.05 0.00 -1.01 0.00 0.00 37.83 33.85 3knm s LYS 121 CO 0.09 -0.99 0.42 0.08 0.51 0.00 0.00 175.35 175.46 3knm s VAL 122 N 0.97 5.17 -0.00 3.17 1.01 -1.26 -2.17 120.40 127.29 3knm s VAL 122 Ca 0.12 0.83 0.01 0.00 0.00 0.00 0.00 61.98 62.94 3knm s VAL 122 Cb -0.20 -3.75 -0.00 0.00 0.00 0.00 0.00 36.38 32.44 3knm s VAL 122 CO -0.12 0.41 -0.04 -0.31 0.00 0.00 0.00 175.10 175.04 3knm s TYR 123 N 0.14 0.34 0.08 5.22 1.51 -0.79 -4.94 117.35 118.92 3knm s TYR 123 Ca 0.23 -0.06 -0.27 0.00 -1.01 0.00 0.00 57.07 55.96 3knm s TYR 123 Cb -0.15 -0.22 -0.06 0.00 -0.11 0.00 0.00 41.96 41.42 3knm s TYR 123 CO 0.10 -0.01 0.84 0.00 -1.11 0.00 0.00 175.55 175.37 3knm s ALA 124 N -0.09 3.33 0.00 3.71 0.00 -1.26 -0.69 121.76 126.76 3knm s ALA 124 Ca 0.01 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.38 3knm s ALA 124 Cb -0.02 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.00 3knm s ALA 124 CO -0.00 0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.22 3knm n GLY 125 N 2.27 3.59 0.00 0.00 0.00 -1.26 -4.58 105.19 105.21 3knm n GLY 125 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3knm n GLY 125 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3knm n PRO 126 N 0.00 3.17 -1.62 1.61 -0.04 -1.26 -4.79 135.00 132.07 3knm n PRO 126 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3knm n PRO 126 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3knm n PRO 126 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3knm n ASP 127 N 0.00 -6.62 -4.13 3.54 10.43 -1.26 -4.69 116.55 113.83 3knm n ASP 127 Ca 0.00 0.98 -0.25 0.00 2.57 0.00 0.00 54.79 58.09 3knm n ASP 127 Cb 0.00 -3.66 -0.16 0.00 1.84 0.00 0.00 41.12 39.14 3knm n ASP 127 CO 0.00 0.00 0.00 -1.38 -1.07 0.00 0.00 177.20 174.75 3knm s HIS 128 N -0.35 1.57 0.42 1.24 -3.43 -1.26 -4.94 115.29 108.54 3knm s HIS 128 Ca 0.00 -0.39 0.36 0.00 -0.80 0.00 0.00 55.06 54.23 3knm s HIS 128 Cb 0.00 -1.05 1.82 0.00 -1.43 0.00 0.00 32.58 31.92 3knm s HIS 128 CO 0.00 -0.11 2.17 -1.00 -2.00 0.00 0.00 174.74 173.80 3knm h PRO 129 N 6.06 0.00 -5.80 -0.38 0.13 -2.02 -3.43 132.00 126.56 3knm h PRO 129 Ca -0.34 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.43 3knm h PRO 129 Cb 1.16 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.24 3knm h PRO 129 CO 0.48 0.03 0.90 -1.01 -0.23 0.00 0.00 178.00 178.17 3knm s HIS 130 N -4.02 1.91 -1.06 1.56 3.76 -1.26 -4.80 115.29 111.37 3knm s HIS 130 Ca -0.02 0.42 -0.03 0.00 -0.15 0.00 0.00 55.06 55.28 3knm s HIS 130 Cb 0.12 -4.15 0.22 0.00 1.11 0.00 0.00 32.58 29.88 3knm s HIS 130 CO 0.50 -1.82 2.17 1.04 -0.85 0.00 0.00 174.74 175.78 3knm n GLN 131 N 8.89 4.52 -1.70 1.40 3.00 -1.26 -4.19 117.38 128.05 3knm n GLN 131 Ca 0.37 -3.84 -0.25 0.00 -0.01 0.00 0.00 57.00 53.27 3knm n GLN 131 Cb 0.48 -2.48 0.06 0.00 0.00 0.00 0.00 30.24 28.30 3knm n GLN 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3knm n ALA 132 N 0.67 5.30 -0.83 -1.58 0.00 -1.26 -5.05 120.51 117.76 3knm n ALA 132 Ca 0.54 -3.64 0.09 0.00 0.00 0.00 0.00 53.44 50.43 3knm n ALA 132 Cb 0.28 -0.76 -0.02 0.00 0.00 0.00 0.00 19.45 18.95 3knm n ALA 132 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3knm n GLN 133 N -0.81 -1.40 0.00 0.00 7.27 -1.26 -4.81 117.38 116.38 3knm n GLN 133 Ca 0.48 0.92 0.00 0.00 0.07 0.00 0.00 57.00 58.47 3knm n GLN 133 Cb 0.89 -1.70 0.00 0.00 2.41 0.00 0.00 30.24 31.84 3knm n GLN 133 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 3knm n ARG 134 N -2.61 0.00 -1.86 3.69 -4.01 -1.24 -4.93 116.66 105.70 3knm n ARG 134 Ca 0.00 0.00 -0.42 0.00 -1.04 0.00 0.00 57.85 56.39 3knm n ARG 134 Cb 0.32 0.00 -0.03 0.00 -3.04 0.00 0.00 32.46 29.71 3knm n ARG 134 CO 0.00 0.00 0.00 -2.14 -3.04 0.00 0.00 177.63 172.45 3knm s PRO 135 N 0.00 4.18 -0.10 2.89 0.02 -0.94 -4.44 135.00 136.61 3knm s PRO 135 Ca 0.00 2.42 -0.27 0.00 0.02 0.00 0.00 61.00 63.17 3knm s PRO 135 Cb 0.00 -3.56 -0.02 0.00 0.02 0.00 0.00 34.50 30.94 3knm s PRO 135 CO 0.00 -0.76 0.88 -2.00 -0.33 0.00 0.00 177.00 174.79 3knm s GLU 136 N 2.54 4.41 0.40 5.54 2.12 -1.26 -0.81 118.70 131.65 3knm s GLU 136 Ca 0.76 1.17 0.08 0.00 0.36 0.00 0.00 54.97 57.33 3knm s GLU 136 Cb -0.42 -3.52 -0.05 0.00 0.26 0.00 0.00 34.13 30.40 3knm s GLU 136 CO 0.33 -0.19 0.15 0.15 -0.54 0.00 0.00 175.26 175.16 3knm s LYS 137 N 1.61 2.20 -0.16 4.30 1.02 -0.32 -4.92 119.74 123.47 3knm s LYS 137 Ca 0.44 -1.84 0.01 0.00 0.02 0.00 0.00 55.97 54.60 3knm s LYS 137 Cb -0.18 -1.96 0.01 0.00 -0.52 0.00 0.00 37.83 35.17 3knm s LYS 137 CO 0.18 -0.07 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.86 3knm s LEU 138 N -3.87 2.33 0.00 3.17 1.43 -1.26 -4.55 118.68 115.93 3knm s LEU 138 Ca 0.40 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 3knm s LEU 138 Cb 0.04 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.73 3knm s LEU 138 CO 0.22 0.05 0.00 1.21 0.23 0.00 0.00 176.35 178.06