#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kan n GLY 2 N 0.00 3.13 3.24 3.03 0.00 -1.26 -5.13 105.19 108.20 2kan n GLY 2 Ca 0.00 -1.05 -0.32 0.00 0.00 0.00 0.00 46.02 44.65 2kan n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kan s HIS 3 N -2.00 2.62 -1.35 1.61 0.09 -1.26 -5.04 115.29 109.96 2kan s HIS 3 Ca 0.00 -1.04 -0.10 0.00 -0.00 0.00 0.00 55.06 53.93 2kan s HIS 3 Cb 0.00 -1.75 0.11 0.00 -0.00 0.00 0.00 32.58 30.94 2kan s HIS 3 CO 0.00 -0.42 2.14 -2.39 -0.00 0.00 0.00 174.74 174.07 2kan n HIS 4 N 3.63 2.94 0.08 1.40 -0.00 -1.26 -4.53 115.22 117.48 2kan n HIS 4 Ca -0.19 -2.86 -0.04 0.00 -0.00 0.00 0.00 57.72 54.63 2kan n HIS 4 Cb 0.53 -2.09 -0.07 0.00 -0.00 0.00 0.00 29.99 28.35 2kan n HIS 4 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 2kan h HIS 5 N 5.51 0.00 -3.40 -1.40 2.07 -1.99 -3.35 115.15 112.60 2kan h HIS 5 Ca 0.53 0.00 -0.60 0.00 -2.85 0.00 0.00 60.37 57.45 2kan h HIS 5 Cb 0.54 0.00 -0.10 0.00 2.57 0.00 0.00 27.41 30.42 2kan h HIS 5 CO 1.41 0.83 0.31 -1.58 -3.07 0.00 0.00 177.93 175.84 2kan s HIS 6 N -2.79 3.28 -0.69 6.12 5.65 -1.26 -3.90 115.29 121.70 2kan s HIS 6 Ca 0.02 0.93 -0.01 0.00 0.25 0.00 0.00 55.06 56.24 2kan s HIS 6 Cb 0.09 -2.98 -0.02 0.00 -1.18 0.00 0.00 32.58 28.50 2kan s HIS 6 CO 0.80 -0.39 0.64 1.58 -0.65 0.00 0.00 174.74 176.71 2kan n HIS 7 N 5.90 -2.39 -2.53 3.88 -0.00 -1.26 -5.02 115.22 113.79 2kan n HIS 7 Ca 0.02 0.89 -0.23 0.00 -0.00 0.00 0.00 57.72 58.41 2kan n HIS 7 Cb 0.48 -3.74 0.07 0.00 -0.00 0.00 0.00 29.99 26.80 2kan n HIS 7 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kan s HIS 8 N -3.09 2.41 0.01 1.57 0.00 -1.25 -5.00 115.29 109.94 2kan s HIS 8 Ca 0.10 -0.02 -0.26 0.00 -3.00 0.00 0.00 55.06 51.88 2kan s HIS 8 Cb -0.01 -2.94 0.06 0.00 -4.00 0.00 0.00 32.58 25.69 2kan s HIS 8 CO 0.63 -1.29 0.58 0.45 -1.00 0.00 0.00 174.74 174.11 2kan s SER 9 N -4.56 -0.53 0.00 7.38 0.15 -1.26 -5.03 113.70 109.85 2kan s SER 9 Ca 0.61 0.40 0.22 0.00 0.70 0.00 0.00 55.95 57.88 2kan s SER 9 Cb -0.09 0.51 -0.10 0.00 -1.71 0.00 0.00 66.02 64.63 2kan s SER 9 CO 0.42 -0.67 1.01 1.57 1.20 0.00 0.00 173.24 176.77 2kan n HIS 10 N 0.65 0.00 -3.22 3.44 -0.00 -1.26 -4.93 115.22 109.90 2kan n HIS 10 Ca -0.19 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.15 2kan n HIS 10 Cb 0.59 -0.01 -0.06 0.00 -0.00 0.00 0.00 29.99 30.51 2kan n HIS 10 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2kan s ALA 11 N -2.74 3.55 0.48 1.57 0.00 -1.26 -5.06 121.76 118.29 2kan s ALA 11 Ca 0.13 0.07 -0.19 0.00 0.00 0.00 0.00 51.96 51.98 2kan s ALA 11 Cb 0.17 -2.69 -0.09 0.00 0.00 0.00 0.00 23.12 20.51 2kan s ALA 11 CO 0.72 0.38 0.98 0.00 0.00 0.00 0.00 175.76 177.84 2kan s ALA 12 N -1.23 3.01 0.84 0.00 0.00 -1.26 -5.06 121.76 118.08 2kan s ALA 12 Ca 0.33 0.34 -0.12 0.00 0.00 0.00 0.00 51.96 52.51 2kan s ALA 12 Cb -0.19 -3.15 0.10 0.00 0.00 0.00 0.00 23.12 19.88 2kan s ALA 12 CO 0.20 -0.11 1.14 0.14 0.00 0.00 0.00 175.76 177.13 2kan s VAL 13 N -2.35 2.32 -0.56 0.00 -7.23 -1.26 -4.99 120.40 106.33 2kan s VAL 13 Ca 0.61 0.10 -0.20 0.00 -1.81 0.00 0.00 61.98 60.69 2kan s VAL 13 Cb -0.11 -2.95 0.07 0.00 0.56 0.00 0.00 36.38 33.96 2kan s VAL 13 CO 0.22 -0.14 0.73 -0.13 -0.31 0.00 0.00 175.10 175.48 2kan s ARG 14 N -5.35 3.12 -0.23 4.82 1.81 -1.26 -5.01 118.95 116.85 2kan s ARG 14 Ca 0.62 -0.93 -0.27 0.00 -1.72 0.00 0.00 55.73 53.43 2kan s ARG 14 Cb -0.13 -4.16 0.00 0.00 -0.45 0.00 0.00 34.95 30.21 2kan s ARG 14 CO 0.52 -1.43 0.95 0.15 -0.68 0.00 0.00 175.30 174.81 2kan s LYS 15 N 3.01 4.23 0.13 3.54 3.01 -1.26 -3.91 119.74 128.48 2kan s LYS 15 Ca 0.17 1.18 -0.12 0.00 -1.01 0.00 0.00 55.97 56.20 2kan s LYS 15 Cb -0.20 -3.64 -0.06 0.00 -1.01 0.00 0.00 37.83 32.92 2kan s LYS 15 CO 0.11 -0.57 0.48 0.96 0.51 0.00 0.00 175.35 176.84 2kan s ILE 16 N 3.01 4.97 -0.78 2.17 -4.36 0.11 -4.74 121.20 121.58 2kan s ILE 16 Ca 0.40 0.61 -0.21 0.00 -0.26 0.00 0.00 60.65 61.19 2kan s ILE 16 Cb -0.15 -3.68 0.10 0.00 1.25 0.00 0.00 42.46 39.98 2kan s ILE 16 CO 0.07 0.22 1.03 -1.00 0.24 0.00 0.00 174.94 175.50 2kan s HIS 17 N -1.49 2.88 0.17 1.37 3.76 -1.26 -1.94 115.29 118.79 2kan s HIS 17 Ca 0.37 -0.95 -0.23 0.00 -0.15 0.00 0.00 55.06 54.10 2kan s HIS 17 Cb -0.14 -4.28 -0.08 0.00 1.11 0.00 0.00 32.58 29.19 2kan s HIS 17 CO 0.19 -1.56 0.74 0.14 -0.85 0.00 0.00 174.74 173.40 2kan s VAL 18 N 3.40 4.46 -0.43 -0.90 -7.23 -0.73 -2.89 120.40 116.08 2kan s VAL 18 Ca 0.27 1.54 -0.18 0.00 -1.81 0.00 0.00 61.98 61.80 2kan s VAL 18 Cb -0.12 -4.04 0.02 0.00 0.56 0.00 0.00 36.38 32.81 2kan s VAL 18 CO 0.01 0.44 0.50 -0.89 -0.31 0.00 0.00 175.10 174.85 2kan s THR 19 N -1.25 5.01 -0.28 5.32 2.01 0.16 -1.67 115.64 124.93 2kan s THR 19 Ca 0.37 -0.24 -0.21 0.00 0.31 0.00 0.00 61.69 61.91 2kan s THR 19 Cb -0.21 -4.10 -0.01 0.00 0.01 0.00 0.00 72.50 68.19 2kan s THR 19 CO 0.24 -0.50 0.68 -0.69 -0.69 0.00 0.00 174.62 173.66 2kan s VAL 20 N 2.34 4.91 -0.67 3.82 1.01 0.83 0.02 120.40 132.67 2kan s VAL 20 Ca 0.15 1.09 -0.17 0.00 0.00 0.00 0.00 61.98 63.04 2kan s VAL 20 Cb -0.16 -4.02 0.13 0.00 0.00 0.00 0.00 36.38 32.33 2kan s VAL 20 CO 0.15 -0.10 0.73 -0.54 0.00 0.00 0.00 175.10 175.34 2kan s LYS 21 N 2.67 3.21 0.18 2.72 -0.14 0.49 -2.52 119.74 126.33 2kan s LYS 21 Ca 0.28 -1.66 -0.02 0.00 -1.36 0.00 0.00 55.97 53.21 2kan s LYS 21 Cb -0.15 -4.38 -0.05 0.00 -1.68 0.00 0.00 37.83 31.58 2kan s LYS 21 CO 0.10 -1.48 0.38 -0.06 -0.76 0.00 0.00 175.35 173.53 2kan s PHE 22 N 2.01 3.48 0.61 3.18 0.40 -0.97 -1.08 117.98 125.62 2kan s PHE 22 Ca 0.14 0.41 0.36 0.00 -0.60 0.00 0.00 56.93 57.23 2kan s PHE 22 Cb -0.20 -1.90 2.06 0.00 0.51 0.00 0.00 43.02 43.49 2kan s PHE 22 CO 0.01 0.40 2.30 -1.35 0.70 0.00 0.00 175.22 177.28 2kan h PRO 23 N 2.30 0.00 0.00 0.24 0.11 -1.97 -3.15 132.00 129.53 2kan h PRO 23 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2kan h PRO 23 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2kan h PRO 23 CO 0.70 0.00 -0.20 0.77 -0.21 0.00 0.00 178.00 179.06 2kan h SER 24 N 0.00 0.00 -5.39 -2.05 0.02 -1.98 -3.50 113.55 100.65 2kan h SER 24 Ca -0.00 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.78 2kan h SER 24 Cb 0.02 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.47 2kan h SER 24 CO 0.00 0.55 -0.20 -1.59 -1.14 0.00 0.00 176.83 174.45 2kan s LYS 25 N -1.77 1.68 -0.12 3.45 0.00 -1.19 -5.16 119.74 116.63 2kan s LYS 25 Ca -0.06 -1.51 -0.01 0.00 0.00 0.00 0.00 55.97 54.39 2kan s LYS 25 Cb 0.01 0.44 -0.02 0.00 0.00 0.00 0.00 37.83 38.25 2kan s LYS 25 CO 0.09 -0.69 -0.09 -1.14 0.00 0.00 0.00 175.35 173.52 2kan s GLN 26 N -3.58 3.25 0.17 1.78 0.74 -1.26 -2.29 119.66 118.47 2kan s GLN 26 Ca 0.28 -0.60 -0.07 0.00 0.05 0.00 0.00 55.36 55.01 2kan s GLN 26 Cb 0.00 -2.69 -0.02 0.00 1.10 0.00 0.00 33.01 31.41 2kan s GLN 26 CO 0.14 0.36 0.25 -0.59 -0.55 0.00 0.00 175.29 174.91 2kan s PHE 27 N -0.01 0.54 0.02 1.67 -0.71 -1.05 -5.01 117.98 113.43 2kan s PHE 27 Ca -0.01 -0.89 0.04 0.00 -1.04 0.00 0.00 56.93 55.02 2kan s PHE 27 Cb -0.14 -0.15 -0.03 0.00 -1.21 0.00 0.00 43.02 41.49 2kan s PHE 27 CO 0.03 -0.71 -0.07 0.99 -1.34 0.00 0.00 175.22 174.12 2kan s THR 28 N -4.00 3.61 0.00 -4.49 2.01 -1.26 -0.12 115.64 111.39 2kan s THR 28 Ca 0.21 -0.85 0.04 0.00 0.31 0.00 0.00 61.69 61.40 2kan s THR 28 Cb 0.04 -2.59 -0.01 0.00 0.01 0.00 0.00 72.50 69.95 2kan s THR 28 CO 0.02 0.35 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.47 2kan s VAL 29 N -1.04 1.09 -0.45 3.82 1.01 -0.67 -4.96 120.40 119.21 2kan s VAL 29 Ca 0.18 -0.70 -0.22 0.00 0.00 0.00 0.00 61.98 61.25 2kan s VAL 29 Cb -0.11 -0.93 0.03 0.00 0.00 0.00 0.00 36.38 35.36 2kan s VAL 29 CO 0.09 0.23 0.70 -1.61 0.00 0.00 0.00 175.10 174.51 2kan s GLU 30 N -0.54 3.32 0.06 2.72 2.02 -1.26 -1.77 118.70 123.25 2kan s GLU 30 Ca 0.04 -0.28 0.06 0.00 0.02 0.00 0.00 54.97 54.81 2kan s GLU 30 Cb -0.06 -3.95 -0.03 0.00 0.10 0.00 0.00 34.13 30.19 2kan s GLU 30 CO -0.00 -1.07 -0.16 0.14 0.02 0.00 0.00 175.26 174.19 2kan s VAL 31 N 3.02 1.28 0.47 2.63 -7.23 -0.82 -4.91 120.40 114.84 2kan s VAL 31 Ca 0.25 -1.17 -0.22 0.00 -1.81 0.00 0.00 61.98 59.04 2kan s VAL 31 Cb -0.13 -1.16 -0.08 0.00 0.56 0.00 0.00 36.38 35.57 2kan s VAL 31 CO 0.20 -0.02 1.11 -0.62 -0.31 0.00 0.00 175.10 175.46 2kan s ASP 32 N -1.38 6.23 0.49 4.85 2.15 -1.26 0.09 116.67 127.84 2kan s ASP 32 Ca 0.02 2.15 0.28 0.00 0.43 0.00 0.00 52.55 55.44 2kan s ASP 32 Cb -0.09 -2.59 1.03 0.00 -0.30 0.00 0.00 42.92 40.98 2kan s ASP 32 CO 0.02 -0.86 1.86 0.08 -0.17 0.00 0.00 175.17 176.10 2kan h ARG 33 N 1.87 0.00 -0.62 4.34 0.11 -1.92 -1.65 114.38 116.51 2kan h ARG 33 Ca -0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.59 2kan h ARG 33 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 2kan h ARG 33 CO 0.60 0.09 0.00 0.25 0.10 0.00 0.00 179.97 181.00 2kan n THR 34 N -3.19 1.34 -2.11 0.08 -2.24 -1.26 -1.37 114.28 105.53 2kan n THR 34 Ca 0.01 -0.90 -0.35 0.00 -2.27 0.00 0.00 64.05 60.55 2kan n THR 34 Cb 0.39 0.08 0.02 0.00 -2.10 0.00 0.00 70.33 68.72 2kan n THR 34 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2kan s GLU 35 N -1.71 3.18 0.45 -0.78 2.56 -0.62 -4.76 118.70 117.02 2kan s GLU 35 Ca 0.40 1.57 -0.03 0.00 0.00 0.00 0.00 54.97 56.91 2kan s GLU 35 Cb 0.25 -1.99 -0.03 0.00 2.00 0.00 0.00 34.13 34.37 2kan s GLU 35 CO 0.20 -0.98 0.71 0.95 -0.56 0.00 0.00 175.26 175.58 2kan s THR 36 N -1.91 4.74 0.34 -1.70 -4.23 -1.26 -0.49 115.64 111.13 2kan s THR 36 Ca 0.72 -0.11 0.05 0.00 -1.18 0.00 0.00 61.69 61.17 2kan s THR 36 Cb -0.23 -3.78 0.15 0.00 1.34 0.00 0.00 72.50 69.98 2kan s THR 36 CO 0.31 -0.66 1.87 0.58 -0.54 0.00 0.00 174.62 176.18 2kan h VAL 37 N 0.37 1.20 -0.79 2.29 2.07 -1.19 0.41 116.25 120.61 2kan h VAL 37 Ca -0.48 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.20 2kan h VAL 37 Cb 1.22 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.99 2kan h VAL 37 CO 0.61 0.27 0.39 0.77 0.02 0.00 0.00 177.57 179.64 2kan h SER 38 N 0.43 1.01 1.41 0.57 4.64 -1.79 -1.29 113.55 118.54 2kan h SER 38 Ca 0.09 -0.11 -0.12 0.00 -0.47 0.00 0.00 61.79 61.19 2kan h SER 38 Cb 0.37 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 2kan h SER 38 CO 0.02 0.84 -0.56 -1.28 -0.87 0.00 0.00 176.83 174.98 2kan h SER 39 N 1.11 0.00 0.16 4.97 0.87 -1.64 -0.99 113.55 118.03 2kan h SER 39 Ca 0.27 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.83 2kan h SER 39 Cb 0.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 2kan h SER 39 CO -0.04 0.56 -0.08 0.25 -0.53 0.00 0.00 176.83 176.99 2kan h LEU 40 N 0.00 -0.19 -1.22 2.23 5.85 -0.50 -0.52 115.31 120.96 2kan h LEU 40 Ca -0.01 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 2kan h LEU 40 Cb 1.41 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.46 2kan h LEU 40 CO 0.07 0.16 0.28 0.11 -0.34 0.00 0.00 178.44 178.73 2kan h LYS 41 N -0.56 0.82 -0.30 1.25 1.57 -1.25 -1.66 116.57 116.44 2kan h LYS 41 Ca -0.02 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 58.68 2kan h LYS 41 Cb 0.42 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 2kan h LYS 41 CO 0.04 0.63 0.14 0.22 -0.57 0.00 0.00 179.45 179.91 2kan h ASP 42 N 0.82 0.20 -0.28 0.86 3.58 -1.02 0.19 116.42 120.76 2kan h ASP 42 Ca 0.20 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.65 2kan h ASP 42 Cb 0.09 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.11 2kan h ASP 42 CO -0.03 0.15 0.09 0.11 -2.88 0.00 0.00 179.24 176.68 2kan h LYS 43 N 0.29 0.44 -0.63 0.28 1.57 -0.68 -1.76 116.57 116.09 2kan h LYS 43 Ca 0.13 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 2kan h LYS 43 Cb 0.05 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 2kan h LYS 43 CO -0.10 0.50 0.42 0.82 -0.57 0.00 0.00 179.45 180.52 2kan h ILE 44 N 0.30 1.13 -0.04 1.86 2.04 -1.10 -1.18 117.51 120.51 2kan h ILE 44 Ca 0.09 -0.28 -0.07 0.00 1.00 0.00 0.00 64.86 65.60 2kan h ILE 44 Cb 0.25 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 2kan h ILE 44 CO -0.00 0.15 -0.30 -0.74 0.00 0.00 0.00 178.15 177.26 2kan h HIS 45 N 0.81 0.08 -0.04 1.37 2.76 -0.12 0.57 115.15 120.59 2kan h HIS 45 Ca 0.24 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.34 2kan h HIS 45 Cb -0.03 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 28.91 2kan h HIS 45 CO -0.00 0.37 -0.19 0.82 -1.30 0.00 0.00 177.93 177.63 2kan h ILE 46 N 0.07 1.47 0.10 6.26 2.04 -0.40 -3.36 117.51 123.70 2kan h ILE 46 Ca 0.01 -1.66 -0.00 0.00 1.00 0.00 0.00 64.86 64.20 2kan h ILE 46 Cb 0.56 2.45 0.00 0.00 -0.74 0.00 0.00 36.82 39.09 2kan h ILE 46 CO 0.04 0.46 -0.05 0.58 0.00 0.00 0.00 178.15 179.18 2kan h VAL 47 N -0.37 1.12 -3.08 1.67 2.07 -1.10 -3.47 116.25 113.09 2kan h VAL 47 Ca -0.01 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.43 2kan h VAL 47 Cb 0.84 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 2kan h VAL 47 CO 0.04 0.25 0.00 -0.62 0.02 0.00 0.00 177.57 177.26 2kan n GLU 48 N -4.92 0.64 -0.11 1.57 -0.58 0.20 -5.03 120.64 112.41 2kan n GLU 48 Ca -0.08 0.00 0.09 0.00 -0.42 0.00 0.00 57.16 56.74 2kan n GLU 48 Cb 0.26 0.00 0.12 0.00 -0.57 0.00 0.00 31.44 31.25 2kan n GLU 48 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2kan n ASN 49 N -2.85 2.09 -4.69 1.62 5.15 -1.26 -4.74 115.26 110.58 2kan n ASN 49 Ca 0.00 -2.94 -0.35 0.00 -0.60 0.00 0.00 54.58 50.69 2kan n ASN 49 Cb 0.00 -0.39 -0.09 0.00 -0.53 0.00 0.00 39.78 38.77 2kan n ASN 49 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2kan s THR 50 N -2.53 5.03 0.35 -0.44 2.01 -1.26 -5.07 115.64 113.73 2kan s THR 50 Ca 0.28 0.05 -0.28 0.00 0.31 0.00 0.00 61.69 62.05 2kan s THR 50 Cb 0.24 -3.26 -0.12 0.00 0.01 0.00 0.00 72.50 69.37 2kan s THR 50 CO 0.03 0.47 1.36 -2.65 -0.69 0.00 0.00 174.62 173.14 2kan n PRO 51 N 3.34 2.32 -0.20 4.92 -0.02 -1.26 -4.57 135.00 139.53 2kan n PRO 51 Ca -0.17 0.81 0.07 0.00 -2.02 0.00 0.00 63.50 62.19 2kan n PRO 51 Cb 0.52 -2.45 0.34 0.00 -0.02 0.00 0.00 33.50 31.90 2kan n PRO 51 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2kan h ILE 52 N 2.69 1.01 0.00 4.25 2.04 -1.90 -1.66 117.51 123.94 2kan h ILE 52 Ca -0.48 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.12 2kan h ILE 52 Cb 1.27 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 2kan h ILE 52 CO 0.63 0.14 -0.29 0.29 0.00 0.00 0.00 178.15 178.92 2kan n LYS 53 N -4.49 0.01 0.00 2.37 5.02 -1.26 -3.49 118.16 116.33 2kan n LYS 53 Ca 0.11 0.01 -0.01 0.00 -2.02 0.00 0.00 58.31 56.40 2kan n LYS 53 Cb 0.25 -1.51 -0.11 0.00 -0.02 0.00 0.00 35.03 33.64 2kan n LYS 53 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2kan n ARG 54 N -1.53 0.64 -3.60 1.97 3.00 -0.66 -4.86 116.66 111.63 2kan n ARG 54 Ca 0.06 0.14 -0.37 0.00 -0.01 0.00 0.00 57.85 57.67 2kan n ARG 54 Cb 0.34 -1.73 -0.09 0.00 0.00 0.00 0.00 32.46 30.98 2kan n ARG 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2kan s MET 55 N -2.90 4.09 0.02 5.56 0.23 -1.02 -1.49 119.30 123.79 2kan s MET 55 Ca -0.05 -0.16 0.02 0.00 -1.03 0.00 0.00 55.69 54.47 2kan s MET 55 Cb 0.09 -3.54 -0.04 0.00 -1.53 0.00 0.00 34.83 29.81 2kan s MET 55 CO 0.83 0.03 0.01 -0.65 -2.03 0.00 0.00 175.02 173.20 2kan s GLN 56 N 1.14 2.77 -0.17 3.16 -1.52 0.22 -4.90 119.66 120.37 2kan s GLN 56 Ca 0.10 -0.64 -0.05 0.00 -1.95 0.00 0.00 55.36 52.82 2kan s GLN 56 Cb -0.14 -2.66 -0.03 0.00 -0.22 0.00 0.00 33.01 29.96 2kan s GLN 56 CO 0.05 0.61 -0.01 -0.51 -0.25 0.00 0.00 175.29 175.18 2kan s LEU 57 N -1.73 3.35 -0.02 2.90 1.43 -1.26 -1.27 118.68 122.08 2kan s LEU 57 Ca 0.21 -0.10 0.04 0.00 -1.03 0.00 0.00 54.13 53.25 2kan s LEU 57 Cb -0.12 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.28 2kan s LEU 57 CO 0.12 0.15 -0.14 -0.31 0.23 0.00 0.00 176.35 176.41 2kan s TYR 58 N 0.47 1.33 -0.25 0.29 1.51 0.01 -0.71 117.35 119.99 2kan s TYR 58 Ca -0.02 -0.31 0.01 0.00 -1.01 0.00 0.00 57.07 55.74 2kan s TYR 58 Cb -0.14 -0.89 0.07 0.00 -0.11 0.00 0.00 41.96 40.89 2kan s TYR 58 CO 0.02 -0.08 -0.02 -0.47 -1.11 0.00 0.00 175.55 173.89 2kan s TYR 59 N -0.10 2.41 -1.61 2.71 5.04 0.11 -0.71 117.35 125.21 2kan s TYR 59 Ca 0.01 -1.86 0.00 0.00 -2.44 0.00 0.00 57.07 52.78 2kan s TYR 59 Cb -0.08 -1.72 0.00 0.00 0.35 0.00 0.00 41.96 40.51 2kan s TYR 59 CO 0.00 -0.80 0.00 0.43 -1.34 0.00 0.00 175.55 173.84 2kan n SER 60 N 4.66 -5.40 0.00 4.32 7.64 -1.26 -0.38 113.62 123.20 2kan n SER 60 Ca -0.09 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.84 2kan n SER 60 Cb 0.44 -4.52 0.00 0.00 -1.01 0.00 0.00 64.21 59.12 2kan n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kan n GLY 61 N -0.95 1.68 3.70 0.23 0.00 -1.26 -5.05 105.19 103.54 2kan n GLY 61 Ca -0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 2kan n GLY 61 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kan s ILE 62 N -2.41 4.93 -0.22 -0.61 1.01 0.49 -5.02 121.20 119.37 2kan s ILE 62 Ca 0.00 1.71 -0.27 0.00 0.00 0.00 0.00 60.65 62.09 2kan s ILE 62 Cb 0.00 -4.16 0.00 0.00 0.01 0.00 0.00 42.46 38.31 2kan s ILE 62 CO 0.00 0.14 0.94 -0.70 0.00 0.00 0.00 174.94 175.32 2kan s GLU 63 N 1.38 4.24 -1.22 2.79 2.12 -1.26 0.10 118.70 126.85 2kan s GLU 63 Ca 0.42 1.17 -0.17 0.00 0.36 0.00 0.00 54.97 56.75 2kan s GLU 63 Cb -0.18 -3.63 0.11 0.00 0.26 0.00 0.00 34.13 30.68 2kan s GLU 63 CO 0.19 -0.54 1.57 -0.51 -0.54 0.00 0.00 175.26 175.43 2kan s LEU 64 N 2.91 4.29 -0.15 2.70 1.43 0.11 -4.69 118.68 125.27 2kan s LEU 64 Ca 0.40 -2.51 0.16 0.00 -1.03 0.00 0.00 54.13 51.15 2kan s LEU 64 Cb -0.15 -2.51 -0.24 0.00 0.03 0.00 0.00 46.19 43.31 2kan s LEU 64 CO 0.08 -1.05 0.26 0.00 0.23 0.00 0.00 176.35 175.86 2kan n ALA 65 N 7.41 1.51 -2.24 4.21 0.00 -1.26 -4.57 120.51 125.58 2kan n ALA 65 Ca 0.42 -1.16 -0.42 0.00 0.00 0.00 0.00 53.44 52.28 2kan n ALA 65 Cb 0.46 -0.39 -0.03 0.00 0.00 0.00 0.00 19.45 19.49 2kan n ALA 65 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2kan s ASP 66 N -5.66 6.04 0.21 0.00 1.01 -1.26 -4.86 116.67 112.14 2kan s ASP 66 Ca -0.08 0.73 -0.08 0.00 0.71 0.00 0.00 52.55 53.82 2kan s ASP 66 Cb 0.07 -2.54 0.16 0.00 1.01 0.00 0.00 42.92 41.62 2kan s ASP 66 CO 0.83 -1.70 1.81 -0.78 0.21 0.00 0.00 175.17 175.54 2kan h ASP 67 N 11.86 1.05 1.08 0.27 1.82 -1.95 -2.83 116.42 127.72 2kan h ASP 67 Ca -0.29 -0.13 0.00 0.00 -0.39 0.00 0.00 57.03 56.22 2kan h ASP 67 Cb 1.12 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 40.87 2kan h ASP 67 CO 1.11 0.89 0.00 0.00 -1.61 0.00 0.00 179.24 179.63 2kan n TYR 68 N -4.35 0.51 -2.24 0.28 4.11 -1.26 -2.81 117.16 111.39 2kan n TYR 68 Ca 0.08 0.16 -0.32 0.00 -0.00 0.00 0.00 57.90 57.82 2kan n TYR 68 Cb 0.13 -0.76 -0.02 0.00 -0.00 0.00 0.00 39.34 38.69 2kan n TYR 68 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 2kan s ARG 69 N -3.09 3.83 0.14 -3.48 0.52 -1.07 -4.86 118.95 110.95 2kan s ARG 69 Ca 0.10 0.88 -0.02 0.00 -0.52 0.00 0.00 55.73 56.17 2kan s ARG 69 Cb 0.14 -2.12 -0.05 0.00 0.52 0.00 0.00 34.95 33.44 2kan s ARG 69 CO 0.50 -0.36 0.34 -0.80 0.02 0.00 0.00 175.30 175.00 2kan s ASN 70 N -3.43 6.42 0.15 0.23 -0.87 -1.26 -1.25 114.94 114.93 2kan s ASN 70 Ca 0.57 0.43 -0.16 0.00 -1.57 0.00 0.00 52.86 52.13 2kan s ASN 70 Cb -0.10 -2.02 0.05 0.00 -0.02 0.00 0.00 41.25 39.15 2kan s ASN 70 CO 0.38 0.05 1.77 -0.07 -2.57 0.00 0.00 177.10 176.66 2kan h LEU 71 N 2.57 0.23 -2.24 0.60 3.38 -0.85 -2.08 115.31 116.92 2kan h LEU 71 Ca -0.46 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.54 2kan h LEU 71 Cb 1.17 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 2kan h LEU 71 CO 0.72 0.17 0.02 -0.55 0.09 0.00 0.00 178.44 178.89 2kan h ASN 72 N 0.34 0.00 0.48 -0.43 7.08 -1.34 -1.01 115.58 120.70 2kan h ASN 72 Ca 0.16 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.37 2kan h ASN 72 Cb 0.09 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.32 2kan h ASN 72 CO -0.12 0.00 -0.04 -0.33 -2.08 0.00 0.00 177.43 174.85 2kan h GLU 73 N 0.00 0.00 0.00 4.14 5.08 -1.65 0.12 114.58 122.27 2kan h GLU 73 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2kan h GLU 73 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2kan h GLU 73 CO -0.00 0.04 -0.41 0.66 -1.00 0.00 0.00 179.01 178.31 2kan n TYR 74 N -3.27 0.46 0.00 4.33 4.01 -0.40 -4.91 117.16 117.38 2kan n TYR 74 Ca -0.01 0.13 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 2kan n TYR 74 Cb 0.21 -0.62 0.00 0.00 -0.31 0.00 0.00 39.34 38.62 2kan n TYR 74 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2kan n GLY 75 N 1.38 1.11 3.60 2.72 0.00 0.43 -5.06 105.19 109.37 2kan n GLY 75 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 2kan n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kan s ILE 76 N -2.00 3.84 -0.18 -0.61 1.01 -1.14 -4.86 121.20 117.26 2kan s ILE 76 Ca 0.00 0.85 -0.18 0.00 0.00 0.00 0.00 60.65 61.32 2kan s ILE 76 Cb 0.00 -4.15 -0.06 0.00 0.01 0.00 0.00 42.46 38.26 2kan s ILE 76 CO 0.00 -0.74 -0.34 1.07 0.00 0.00 0.00 174.94 174.92 2kan n THR 77 N 7.12 1.50 -3.62 2.92 5.66 -1.26 -3.94 114.28 122.65 2kan n THR 77 Ca 0.17 0.13 -0.04 0.00 -3.05 0.00 0.00 64.05 61.27 2kan n THR 77 Cb 0.48 -2.34 -0.03 0.00 -1.55 0.00 0.00 70.33 66.88 2kan n THR 77 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 2kan s GLU 78 N -2.87 0.18 -1.92 1.09 2.12 -1.26 -4.87 118.70 111.17 2kan s GLU 78 Ca -0.29 -0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.04 2kan s GLU 78 Cb 0.04 0.09 0.00 0.00 0.26 0.00 0.00 34.13 34.52 2kan s GLU 78 CO 0.42 -0.07 0.00 1.19 -0.54 0.00 0.00 175.26 176.27 2kan n PHE 79 N 0.31 -0.33 -2.33 5.30 3.72 -1.14 -4.92 117.46 118.09 2kan n PHE 79 Ca -0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 2kan n PHE 79 Cb 0.58 -3.35 -0.03 0.00 -0.94 0.00 0.00 39.48 35.74 2kan n PHE 79 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2kan s SER 80 N -2.48 6.98 -0.77 4.37 1.04 -1.26 -4.68 113.70 116.90 2kan s SER 80 Ca 0.00 2.14 -0.19 0.00 0.48 0.00 0.00 55.95 58.38 2kan s SER 80 Cb 0.00 -2.58 0.12 0.00 0.10 0.00 0.00 66.02 63.66 2kan s SER 80 CO 0.00 -0.54 0.94 -1.61 0.98 0.00 0.00 173.24 173.01 2kan s GLU 81 N 1.07 3.36 -0.33 4.02 2.02 -1.26 -0.67 118.70 126.90 2kan s GLU 81 Ca 0.61 -1.55 -0.28 0.00 0.02 0.00 0.00 54.97 53.77 2kan s GLU 81 Cb -0.32 -4.55 0.02 0.00 0.10 0.00 0.00 34.13 29.37 2kan s GLU 81 CO 0.30 -1.66 1.04 0.42 0.02 0.00 0.00 175.26 175.37 2kan s ILE 82 N 2.65 4.52 -0.24 -1.63 -1.09 0.10 -4.62 121.20 120.89 2kan s ILE 82 Ca 0.23 1.60 -0.23 0.00 -2.23 0.00 0.00 60.65 60.03 2kan s ILE 82 Cb -0.13 -4.40 -0.01 0.00 -1.58 0.00 0.00 42.46 36.34 2kan s ILE 82 CO -0.01 -0.51 0.73 -0.69 -1.23 0.00 0.00 174.94 173.23 2kan s VAL 83 N 3.64 4.92 -0.46 2.92 1.01 0.11 -0.38 120.40 132.15 2kan s VAL 83 Ca 0.44 1.37 -0.15 0.00 0.00 0.00 0.00 61.98 63.64 2kan s VAL 83 Cb -0.12 -4.03 0.07 0.00 0.00 0.00 0.00 36.38 32.30 2kan s VAL 83 CO 0.17 -0.01 0.37 -0.69 0.00 0.00 0.00 175.10 174.94 2kan s VAL 84 N 2.55 5.13 -0.21 2.92 1.01 -0.24 -0.81 120.40 130.75 2kan s VAL 84 Ca 0.31 -1.05 -0.18 0.00 0.00 0.00 0.00 61.98 61.07 2kan s VAL 84 Cb -0.16 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 2kan s VAL 84 CO 0.08 -0.53 0.51 -0.36 0.00 0.00 0.00 175.10 174.80 2kan s PHE 85 N 1.62 3.35 -0.24 5.22 0.08 -0.40 -4.49 117.98 123.13 2kan s PHE 85 Ca 0.04 0.73 -0.13 0.00 0.12 0.00 0.00 56.93 57.70 2kan s PHE 85 Cb -0.23 -2.66 -0.04 0.00 -0.57 0.00 0.00 43.02 39.51 2kan s PHE 85 CO 0.07 -0.12 0.27 -0.51 -0.10 0.00 0.00 175.22 174.82 2kan s LEU 86 N 1.72 4.09 -0.16 -0.37 1.43 -1.26 -0.61 118.68 123.53 2kan s LEU 86 Ca 0.23 0.23 -0.17 0.00 -1.03 0.00 0.00 54.13 53.39 2kan s LEU 86 Cb -0.15 -2.28 -0.04 0.00 0.03 0.00 0.00 46.19 43.75 2kan s LEU 86 CO 0.09 -0.04 0.42 -0.54 0.23 0.00 0.00 176.35 176.51 2kan s LYS 87 N 1.45 4.27 -1.34 1.70 3.01 -0.55 -4.31 119.74 123.98 2kan s LYS 87 Ca 0.12 0.30 -0.07 0.00 -1.01 0.00 0.00 55.97 55.31 2kan s LYS 87 Cb -0.15 -3.47 0.02 0.00 -1.01 0.00 0.00 37.83 33.22 2kan s LYS 87 CO 0.08 0.10 1.08 0.43 0.51 0.00 0.00 175.35 177.54 2kan n SER 88 N 3.94 -4.63 -4.70 2.83 7.64 -1.26 -4.94 113.62 112.50 2kan n SER 88 Ca -0.08 -0.61 -0.39 0.00 1.01 0.00 0.00 58.87 58.79 2kan n SER 88 Cb 0.51 -4.84 -0.05 0.00 -1.01 0.00 0.00 64.21 58.82 2kan n SER 88 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2kan s ILE 89 N -3.35 5.09 0.13 0.44 -4.36 -1.26 -5.06 121.20 112.83 2kan s ILE 89 Ca 0.40 1.20 0.02 0.00 -0.26 0.00 0.00 60.65 62.00 2kan s ILE 89 Cb -0.18 -3.93 -0.04 0.00 1.25 0.00 0.00 42.46 39.55 2kan s ILE 89 CO 0.75 0.24 -0.03 0.21 0.24 0.00 0.00 174.94 176.34 2kan s ASN 90 N 0.86 1.16 0.28 4.36 3.84 -1.26 -5.12 114.94 119.05 2kan s ASN 90 Ca 0.31 -1.09 -0.30 0.00 0.21 0.00 0.00 52.86 52.00 2kan s ASN 90 Cb -0.16 0.11 -0.10 0.00 -0.55 0.00 0.00 41.25 40.54 2kan s ASN 90 CO 0.13 -0.52 1.44 -0.13 -2.79 0.00 0.00 177.10 175.24 2kan s ARG 91 N -3.87 4.24 -0.40 0.43 0.52 -1.26 -4.93 118.95 113.69 2kan s ARG 91 Ca 0.18 2.36 0.06 0.00 -0.52 0.00 0.00 55.73 57.80 2kan s ARG 91 Cb 0.06 -3.07 0.43 0.00 0.52 0.00 0.00 34.95 32.88 2kan s ARG 91 CO -0.01 -0.42 1.14 0.00 0.02 0.00 0.00 175.30 176.03 2kan n ALA 92 N 1.83 5.07 -0.05 2.13 0.00 -1.26 -4.86 120.51 123.36 2kan n ALA 92 Ca 0.05 -4.16 -0.12 0.00 0.00 0.00 0.00 53.44 49.21 2kan n ALA 92 Cb 0.40 -0.48 -0.06 0.00 0.00 0.00 0.00 19.45 19.31 2kan n ALA 92 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2kan h LYS 93 N 2.46 0.30 0.00 0.00 3.64 -2.08 -3.58 116.57 117.30 2kan h LYS 93 Ca 0.32 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2kan h LYS 93 Cb 1.10 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 2kan h LYS 93 CO 0.83 0.51 0.00 -0.40 -2.27 0.00 0.00 179.45 178.12