#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kan s GLY 2 N 0.00 2.14 0.24 3.17 0.00 -1.26 -5.00 107.32 106.62 2kan s GLY 2 Ca 0.00 -0.78 0.12 0.00 0.00 0.00 0.00 44.72 44.07 2kan s GLY 2 CO 0.00 -0.65 1.47 0.84 0.00 0.00 0.00 173.10 174.75 2kan h HIS 3 N 3.96 0.00 -2.92 1.90 6.17 -2.14 -3.42 115.15 118.70 2kan h HIS 3 Ca -0.49 0.00 -0.43 0.00 0.71 0.00 0.00 60.37 60.15 2kan h HIS 3 Cb 1.19 0.00 -0.40 0.00 2.52 0.00 0.00 27.41 30.72 2kan h HIS 3 CO 0.67 0.66 -0.73 -3.38 0.71 0.00 0.00 177.93 175.86 2kan s HIS 4 N -3.08 0.10 -0.68 5.26 -0.00 -1.26 -5.04 115.29 110.59 2kan s HIS 4 Ca 0.02 -0.24 0.05 0.00 -0.00 0.00 0.00 55.06 54.89 2kan s HIS 4 Cb 0.10 -0.63 0.20 0.00 -0.00 0.00 0.00 32.58 32.24 2kan s HIS 4 CO 0.76 -0.55 0.59 -2.39 -0.00 0.00 0.00 174.74 173.15 2kan n HIS 5 N 5.29 3.40 -2.80 0.38 1.44 -1.26 -5.05 115.22 116.61 2kan n HIS 5 Ca -0.07 -4.25 -0.43 0.00 -2.01 0.00 0.00 57.72 50.96 2kan n HIS 5 Cb 0.49 -0.60 -0.03 0.00 0.12 0.00 0.00 29.99 29.96 2kan n HIS 5 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2kan s HIS 6 N -1.86 2.72 -1.36 -1.40 5.04 -1.26 -4.94 115.29 112.23 2kan s HIS 6 Ca 0.31 -0.72 -0.15 0.00 -1.54 0.00 0.00 55.06 52.96 2kan s HIS 6 Cb 0.03 -4.38 0.08 0.00 0.04 0.00 0.00 32.58 28.35 2kan s HIS 6 CO -0.11 -1.70 1.94 -2.39 -2.34 0.00 0.00 174.74 170.14 2kan n HIS 7 N 7.77 4.01 -3.81 3.88 1.44 -1.26 -4.81 115.22 122.44 2kan n HIS 7 Ca 0.08 -2.94 -0.05 0.00 -2.01 0.00 0.00 57.72 52.79 2kan n HIS 7 Cb 0.47 -2.48 -0.01 0.00 0.12 0.00 0.00 29.99 28.10 2kan n HIS 7 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2kan s HIS 8 N 3.08 -0.08 0.82 -1.40 4.02 -1.26 -5.16 115.29 115.31 2kan s HIS 8 Ca 0.48 -0.35 -0.11 0.00 1.02 0.00 0.00 55.06 56.11 2kan s HIS 8 Cb 0.08 0.70 0.08 0.00 -1.02 0.00 0.00 32.58 32.43 2kan s HIS 8 CO -0.01 -1.08 1.09 -1.12 1.02 0.00 0.00 174.74 174.64 2kan s SER 9 N -3.02 4.20 0.65 1.40 0.01 -1.26 -5.04 113.70 110.64 2kan s SER 9 Ca 0.14 1.56 -0.09 0.00 1.31 0.00 0.00 55.95 58.86 2kan s SER 9 Cb -0.04 -2.28 0.01 0.00 0.21 0.00 0.00 66.02 63.93 2kan s SER 9 CO 0.06 -2.19 1.01 -1.38 0.41 0.00 0.00 173.24 171.15 2kan s HIS 10 N -2.99 3.30 0.48 2.43 -0.00 -1.26 -5.02 115.29 112.23 2kan s HIS 10 Ca 0.62 0.88 -0.22 0.00 -0.00 0.00 0.00 55.06 56.33 2kan s HIS 10 Cb -0.16 -2.92 -0.07 0.00 -0.00 0.00 0.00 32.58 29.43 2kan s HIS 10 CO 0.56 -1.02 1.19 0.00 -0.00 0.00 0.00 174.74 175.47 2kan s ALA 11 N -3.20 2.93 -1.23 -1.38 0.00 -1.26 -4.93 121.76 112.69 2kan s ALA 11 Ca 0.56 0.97 -0.15 0.00 0.00 0.00 0.00 51.96 53.35 2kan s ALA 11 Cb -0.11 -3.40 0.14 0.00 0.00 0.00 0.00 23.12 19.75 2kan s ALA 11 CO 0.49 -0.76 1.51 0.00 0.00 0.00 0.00 175.76 177.00 2kan s ALA 12 N -1.53 3.81 -0.02 0.00 0.00 -1.26 -4.90 121.76 117.86 2kan s ALA 12 Ca 0.65 -3.23 -0.20 0.00 0.00 0.00 0.00 51.96 49.18 2kan s ALA 12 Cb -0.30 -4.26 0.04 0.00 0.00 0.00 0.00 23.12 18.60 2kan s ALA 12 CO 0.36 -2.92 0.43 0.54 0.00 0.00 0.00 175.76 174.17 2kan s VAL 13 N 2.30 0.04 -0.22 0.00 0.11 -1.26 -5.15 120.40 116.22 2kan s VAL 13 Ca 0.46 -0.33 -0.10 0.00 -2.93 0.00 0.00 61.98 59.07 2kan s VAL 13 Cb -0.01 -0.77 -0.05 0.00 -1.53 0.00 0.00 36.38 34.02 2kan s VAL 13 CO 0.02 -0.18 0.14 -0.13 -3.33 0.00 0.00 175.10 171.62 2kan s ARG 14 N -1.43 4.11 0.23 1.54 0.52 -1.26 -5.05 118.95 117.60 2kan s ARG 14 Ca -0.12 -0.26 -0.30 0.00 -0.52 0.00 0.00 55.73 54.54 2kan s ARG 14 Cb -0.03 -3.47 -0.09 0.00 0.52 0.00 0.00 34.95 31.88 2kan s ARG 14 CO 0.05 0.17 1.09 0.15 0.02 0.00 0.00 175.30 176.78 2kan s LYS 15 N 0.74 4.63 0.02 3.54 3.01 -1.26 -4.27 119.74 126.15 2kan s LYS 15 Ca 0.07 1.75 -0.02 0.00 -1.01 0.00 0.00 55.97 56.76 2kan s LYS 15 Cb -0.12 -3.23 -0.04 0.00 -1.01 0.00 0.00 37.83 33.42 2kan s LYS 15 CO 0.02 0.16 0.20 0.96 0.51 0.00 0.00 175.35 177.20 2kan s ILE 16 N -0.72 5.41 -0.63 2.17 -4.36 0.14 -4.82 121.20 118.40 2kan s ILE 16 Ca 0.47 -0.20 -0.19 0.00 -0.26 0.00 0.00 60.65 60.46 2kan s ILE 16 Cb -0.31 -3.57 0.10 0.00 1.25 0.00 0.00 42.46 39.94 2kan s ILE 16 CO 0.38 0.27 0.77 -1.00 0.24 0.00 0.00 174.94 175.60 2kan s HIS 17 N -1.38 2.96 0.17 1.37 3.76 -1.26 -1.31 115.29 119.59 2kan s HIS 17 Ca 0.30 -0.94 -0.16 0.00 -0.15 0.00 0.00 55.06 54.11 2kan s HIS 17 Cb -0.13 -4.07 -0.07 0.00 1.11 0.00 0.00 32.58 29.42 2kan s HIS 17 CO 0.21 -1.36 0.60 0.14 -0.85 0.00 0.00 174.74 173.48 2kan s VAL 18 N 2.87 4.78 -0.43 -0.90 -7.23 -0.18 0.24 120.40 119.55 2kan s VAL 18 Ca 0.14 0.95 -0.19 0.00 -1.81 0.00 0.00 61.98 61.08 2kan s VAL 18 Cb -0.22 -3.77 0.02 0.00 0.56 0.00 0.00 36.38 32.98 2kan s VAL 18 CO 0.06 0.24 0.54 -0.89 -0.31 0.00 0.00 175.10 174.74 2kan s THR 19 N -1.48 4.96 -0.28 5.32 2.01 0.50 -1.21 115.64 125.46 2kan s THR 19 Ca 0.39 -0.14 -0.12 0.00 0.31 0.00 0.00 61.69 62.14 2kan s THR 19 Cb -0.15 -4.13 -0.04 0.00 0.01 0.00 0.00 72.50 68.18 2kan s THR 19 CO 0.20 -0.52 0.23 -0.69 -0.69 0.00 0.00 174.62 173.14 2kan s VAL 20 N 2.48 5.28 -0.32 3.82 1.01 0.12 0.48 120.40 133.27 2kan s VAL 20 Ca 0.17 0.21 -0.08 0.00 0.00 0.00 0.00 61.98 62.29 2kan s VAL 20 Cb -0.16 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.66 2kan s VAL 20 CO 0.16 0.21 0.11 -0.54 0.00 0.00 0.00 175.10 175.04 2kan s LYS 21 N 1.82 2.96 0.32 2.72 1.02 0.87 -1.34 119.74 128.11 2kan s LYS 21 Ca 0.08 -0.96 0.02 0.00 0.02 0.00 0.00 55.97 55.14 2kan s LYS 21 Cb -0.16 -3.46 -0.03 0.00 -0.52 0.00 0.00 37.83 33.66 2kan s LYS 21 CO 0.11 -0.53 0.50 -0.06 -0.92 0.00 0.00 175.35 174.44 2kan s PHE 22 N 1.49 3.46 -1.87 3.18 0.40 -0.23 0.05 117.98 124.47 2kan s PHE 22 Ca 0.02 0.22 0.07 0.00 -0.60 0.00 0.00 56.93 56.64 2kan s PHE 22 Cb -0.18 -1.83 0.41 0.00 0.51 0.00 0.00 43.02 41.93 2kan s PHE 22 CO 0.03 0.18 0.93 -2.30 0.70 0.00 0.00 175.22 174.77 2kan n PRO 23 N -1.69 0.19 -0.04 0.24 -0.02 -1.26 -3.15 135.00 129.28 2kan n PRO 23 Ca -0.05 0.05 -0.07 0.00 -2.02 0.00 0.00 63.50 61.41 2kan n PRO 23 Cb 0.57 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.52 2kan n PRO 23 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2kan n SER 24 N -1.07 1.50 -3.68 2.55 7.64 -1.26 -5.12 113.62 114.19 2kan n SER 24 Ca 0.05 0.24 -0.12 0.00 1.01 0.00 0.00 58.87 60.04 2kan n SER 24 Cb 0.03 -0.55 -0.06 0.00 -1.01 0.00 0.00 64.21 62.63 2kan n SER 24 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2kan s LYS 25 N -2.47 1.65 -0.01 1.43 0.00 -1.19 -5.17 119.74 113.98 2kan s LYS 25 Ca -0.17 -1.56 0.07 0.00 0.00 0.00 0.00 55.97 54.31 2kan s LYS 25 Cb 0.03 0.42 -0.02 0.00 0.00 0.00 0.00 37.83 38.26 2kan s LYS 25 CO 0.25 -0.67 -0.24 -1.14 0.00 0.00 0.00 175.35 173.55 2kan s GLN 26 N -3.60 2.12 0.29 1.78 0.74 -1.26 -1.06 119.66 118.67 2kan s GLN 26 Ca 0.29 -0.93 -0.09 0.00 0.05 0.00 0.00 55.36 54.69 2kan s GLN 26 Cb 0.01 -2.10 0.00 0.00 1.10 0.00 0.00 33.01 32.02 2kan s GLN 26 CO 0.15 0.56 0.49 -0.59 -0.55 0.00 0.00 175.29 175.35 2kan s PHE 27 N -0.69 0.63 0.00 1.67 -0.71 -0.45 -5.01 117.98 113.43 2kan s PHE 27 Ca 0.11 -0.96 0.07 0.00 -1.04 0.00 0.00 56.93 55.10 2kan s PHE 27 Cb -0.10 0.12 -0.03 0.00 -1.21 0.00 0.00 43.02 41.80 2kan s PHE 27 CO 0.00 -1.08 -0.20 0.99 -1.34 0.00 0.00 175.22 173.59 2kan s THR 28 N -3.53 2.59 -0.00 -4.49 2.01 -1.26 0.14 115.64 111.10 2kan s THR 28 Ca 0.25 -1.08 0.06 0.00 0.31 0.00 0.00 61.69 61.24 2kan s THR 28 Cb -0.01 -2.02 -0.02 0.00 0.01 0.00 0.00 72.50 70.47 2kan s THR 28 CO 0.13 0.47 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.66 2kan s VAL 29 N -0.78 1.46 -0.41 3.82 1.01 -0.35 -4.95 120.40 120.20 2kan s VAL 29 Ca 0.12 -0.87 -0.21 0.00 0.00 0.00 0.00 61.98 61.02 2kan s VAL 29 Cb -0.10 -1.23 0.02 0.00 0.00 0.00 0.00 36.38 35.06 2kan s VAL 29 CO 0.02 0.34 0.68 -1.61 0.00 0.00 0.00 175.10 174.54 2kan s GLU 30 N -0.61 3.45 0.07 2.72 2.02 -1.26 -1.01 118.70 124.07 2kan s GLU 30 Ca 0.07 -0.15 0.05 0.00 0.02 0.00 0.00 54.97 54.95 2kan s GLU 30 Cb -0.07 -3.90 -0.03 0.00 0.10 0.00 0.00 34.13 30.23 2kan s GLU 30 CO -0.00 -0.95 -0.14 0.14 0.02 0.00 0.00 175.26 174.33 2kan s VAL 31 N 2.92 1.11 0.64 2.63 -7.23 -0.43 -4.93 120.40 115.11 2kan s VAL 31 Ca 0.25 -1.26 -0.17 0.00 -1.81 0.00 0.00 61.98 59.00 2kan s VAL 31 Cb -0.14 -1.06 -0.01 0.00 0.56 0.00 0.00 36.38 35.73 2kan s VAL 31 CO 0.19 -0.19 1.16 -0.62 -0.31 0.00 0.00 175.10 175.32 2kan s ASP 32 N -1.65 5.06 0.26 4.85 -1.08 -1.26 0.29 116.67 123.14 2kan s ASP 32 Ca -0.01 2.20 0.06 0.00 -0.52 0.00 0.00 52.55 54.27 2kan s ASP 32 Cb -0.10 -2.58 0.34 0.00 -1.46 0.00 0.00 42.92 39.13 2kan s ASP 32 CO 0.02 -1.67 1.62 0.03 0.52 0.00 0.00 175.17 175.69 2kan h ARG 33 N 0.39 0.20 -0.47 4.34 3.08 -1.94 -2.55 114.38 117.43 2kan h ARG 33 Ca -0.48 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.44 2kan h ARG 33 Cb 1.27 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.33 2kan h ARG 33 CO 0.54 0.69 0.00 0.25 -1.07 0.00 0.00 179.97 180.38 2kan n THR 34 N -3.92 0.70 -2.11 2.04 -2.24 -1.26 -1.12 114.28 106.37 2kan n THR 34 Ca -0.02 -0.61 -0.41 0.00 -2.27 0.00 0.00 64.05 60.74 2kan n THR 34 Cb 0.57 0.21 -0.02 0.00 -2.10 0.00 0.00 70.33 68.99 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 -1.49 4.36 0.49 -0.78 2.56 -0.96 -4.75 118.70 118.13 2kan s GLU 35 Ca 0.30 2.22 -0.11 0.00 0.00 0.00 0.00 54.97 57.37 2kan s GLU 35 Cb 0.16 -3.07 -0.06 0.00 2.00 0.00 0.00 34.13 33.16 2kan s GLU 35 CO 0.19 -0.19 0.88 0.95 -0.56 0.00 0.00 175.26 176.53 2kan s THR 36 N -1.14 4.73 0.39 -1.70 -4.23 -1.26 -0.45 115.64 111.98 2kan s THR 36 Ca 0.49 0.76 0.09 0.00 -1.18 0.00 0.00 61.69 61.84 2kan s THR 36 Cb -0.40 -3.78 0.31 0.00 1.34 0.00 0.00 72.50 69.97 2kan s THR 36 CO 0.53 -0.75 1.96 0.58 -0.54 0.00 0.00 174.62 176.40 2kan h VAL 37 N 0.60 0.97 0.00 2.29 2.07 -1.16 0.91 116.25 121.93 2kan h VAL 37 Ca -0.46 -0.21 -0.11 0.00 0.82 0.00 0.00 66.70 66.73 2kan h VAL 37 Cb 1.19 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 2kan h VAL 37 CO 0.62 0.11 -0.52 0.77 0.02 0.00 0.00 177.57 178.58 2kan h SER 38 N 0.62 0.00 1.13 0.57 4.64 -1.83 -2.48 113.55 116.20 2kan h SER 38 Ca 0.30 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.44 2kan h SER 38 Cb 0.38 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.44 2kan h SER 38 CO -0.10 0.52 -0.87 -1.28 -0.87 0.00 0.00 176.83 174.23 2kan h SER 39 N 0.00 0.00 -0.23 4.97 0.87 -1.34 -2.48 113.55 115.33 2kan h SER 39 Ca -0.01 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2kan h SER 39 Cb 0.96 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.91 2kan h SER 39 CO 0.07 0.85 0.13 0.25 -0.53 0.00 0.00 176.83 177.60 2kan h LEU 40 N 0.00 0.29 -0.93 2.23 5.85 -0.65 -1.05 115.31 121.04 2kan h LEU 40 Ca -0.02 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.67 2kan h LEU 40 Cb 1.66 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.56 2kan h LEU 40 CO 0.11 0.28 0.60 0.11 -0.34 0.00 0.00 178.44 179.20 2kan h LYS 41 N 0.27 1.10 -0.40 1.25 1.57 -1.42 -2.19 116.57 116.77 2kan h LYS 41 Ca 0.08 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 2kan h LYS 41 Cb 0.05 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.08 2kan h LYS 41 CO -0.01 0.73 0.20 0.22 -0.57 0.00 0.00 179.45 180.02 2kan h ASP 42 N 1.14 0.30 -0.05 0.86 3.58 -0.94 0.13 116.42 121.45 2kan h ASP 42 Ca 0.38 0.02 0.02 0.00 0.42 0.00 0.00 57.03 57.88 2kan h ASP 42 Cb 0.07 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.05 2kan h ASP 42 CO -0.14 0.22 -0.09 0.11 -2.88 0.00 0.00 179.24 176.46 2kan h LYS 43 N 0.41 -0.12 -0.34 0.28 1.79 -0.74 -2.12 116.57 115.72 2kan h LYS 43 Ca 0.17 0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.62 2kan h LYS 43 Cb 0.07 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.73 2kan h LYS 43 CO -0.11 -0.08 0.12 0.82 -1.08 0.00 0.00 179.45 179.11 2kan h ILE 44 N -0.13 1.14 0.00 1.86 2.04 -1.02 -1.00 117.51 120.41 2kan h ILE 44 Ca 0.05 -0.47 -0.10 0.00 1.00 0.00 0.00 64.86 65.34 2kan h ILE 44 Cb 0.20 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 2kan h ILE 44 CO -0.13 0.18 -0.47 -0.74 0.00 0.00 0.00 178.15 176.99 2kan h HIS 45 N 0.48 0.00 0.04 1.37 2.76 -0.53 0.77 115.15 120.05 2kan h HIS 45 Ca 0.12 0.00 -0.26 0.00 -2.20 0.00 0.00 60.37 58.03 2kan h HIS 45 Cb 0.13 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.10 2kan h HIS 45 CO 0.00 0.47 -1.07 0.82 -1.30 0.00 0.00 177.93 176.86 2kan h ILE 46 N 0.00 1.37 0.01 6.26 2.04 -0.62 -3.37 117.51 123.20 2kan h ILE 46 Ca -0.00 -2.51 -0.00 0.00 1.00 0.00 0.00 64.86 63.35 2kan h ILE 46 Cb 0.86 2.55 0.00 0.00 -0.74 0.00 0.00 36.82 39.48 2kan h ILE 46 CO 0.06 0.75 -0.00 0.58 0.00 0.00 0.00 178.15 179.54 2kan h VAL 47 N 0.24 1.11 -2.73 1.67 2.07 -1.01 -3.47 116.25 114.14 2kan h VAL 47 Ca -0.12 -1.81 -0.45 0.00 0.82 0.00 0.00 66.70 65.15 2kan h VAL 47 Cb 1.73 2.09 0.06 0.00 -1.52 0.00 0.00 31.29 33.65 2kan h VAL 47 CO 0.19 0.37 0.06 -1.61 0.02 0.00 0.00 177.57 176.60 2kan s GLU 48 N -2.05 2.27 0.00 1.57 0.41 0.27 -5.00 118.70 116.16 2kan s GLU 48 Ca -0.12 -0.73 0.23 0.00 -0.41 0.00 0.00 54.97 53.94 2kan s GLU 48 Cb -0.02 -2.38 0.43 0.00 -1.78 0.00 0.00 34.13 30.38 2kan s GLU 48 CO 0.43 -1.00 1.40 0.09 -0.49 0.00 0.00 175.26 175.70 2kan n ASN 49 N -2.58 3.27 -4.68 -0.19 4.13 -1.26 -4.54 115.26 109.40 2kan n ASN 49 Ca 0.09 -1.97 -0.43 0.00 1.68 0.00 0.00 54.58 53.96 2kan n ASN 49 Cb 0.60 -0.21 -0.02 0.00 -1.54 0.00 0.00 39.78 38.61 2kan n ASN 49 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2kan s THR 50 N -1.58 4.60 0.36 3.41 2.01 -1.26 -4.54 115.64 118.63 2kan s THR 50 Ca 0.37 1.89 -0.28 0.00 0.31 0.00 0.00 61.69 63.98 2kan s THR 50 Cb 0.22 -4.22 -0.11 0.00 0.01 0.00 0.00 72.50 68.40 2kan s THR 50 CO 0.31 -0.03 1.50 -2.84 -0.69 0.00 0.00 174.62 172.87 2kan s PRO 51 N 2.29 4.12 0.38 4.92 0.02 -1.26 -4.52 135.00 140.95 2kan s PRO 51 Ca 0.50 2.57 0.08 0.00 0.02 0.00 0.00 61.00 64.16 2kan s PRO 51 Cb -0.20 -2.98 0.82 0.00 0.02 0.00 0.00 34.50 32.16 2kan s PRO 51 CO 0.17 -0.54 1.97 0.82 -0.33 0.00 0.00 177.00 179.09 2kan h ILE 52 N 3.04 1.00 0.00 2.83 2.04 -1.92 0.16 117.51 124.66 2kan h ILE 52 Ca -0.50 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.13 2kan h ILE 52 Cb 1.24 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 2kan h ILE 52 CO 0.67 0.12 0.00 0.29 0.00 0.00 0.00 178.15 179.23 2kan n LYS 53 N -4.48 0.01 -0.02 2.37 5.02 -1.26 -2.82 118.16 116.98 2kan n LYS 53 Ca 0.10 0.23 0.01 0.00 -2.02 0.00 0.00 58.31 56.63 2kan n LYS 53 Cb 0.24 -1.51 -0.13 0.00 -0.02 0.00 0.00 35.03 33.61 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 0.66 -4.64 1.97 3.00 0.04 -4.82 116.66 111.33 2kan n ARG 54 Ca 0.04 -0.01 -0.34 0.00 -0.01 0.00 0.00 57.85 57.54 2kan n ARG 54 Cb 0.19 -1.62 -0.12 0.00 0.00 0.00 0.00 32.46 30.92 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 -3.02 2.87 -0.06 5.56 0.23 -1.13 -1.10 119.30 122.66 2kan s MET 55 Ca -0.07 -0.57 0.02 0.00 -1.03 0.00 0.00 55.69 54.04 2kan s MET 55 Cb 0.10 -2.61 -0.03 0.00 -1.53 0.00 0.00 34.83 30.76 2kan s MET 55 CO 0.85 0.58 -0.08 -0.65 -2.03 0.00 0.00 175.02 173.69 2kan s GLN 56 N -0.58 2.68 -0.19 3.16 1.11 0.53 -4.94 119.66 121.42 2kan s GLN 56 Ca 0.09 -0.59 -0.09 0.00 0.01 0.00 0.00 55.36 54.78 2kan s GLN 56 Cb -0.12 -2.54 -0.05 0.00 -1.01 0.00 0.00 33.01 29.30 2kan s GLN 56 CO 0.02 0.65 0.10 -0.51 0.01 0.00 0.00 175.29 175.56 2kan s LEU 57 N -0.85 4.01 -0.12 2.90 1.43 -1.26 -2.00 118.68 122.79 2kan s LEU 57 Ca 0.13 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.38 2kan s LEU 57 Cb -0.11 -2.03 0.02 0.00 0.03 0.00 0.00 46.19 44.10 2kan s LEU 57 CO 0.02 0.18 -0.12 -0.31 0.23 0.00 0.00 176.35 176.35 2kan s TYR 58 N 0.37 1.83 -0.44 0.29 1.51 0.38 -0.15 117.35 121.14 2kan s TYR 58 Ca 0.06 -0.94 -0.11 0.00 -1.01 0.00 0.00 57.07 55.06 2kan s TYR 58 Cb -0.12 -1.39 0.08 0.00 -0.11 0.00 0.00 41.96 40.42 2kan s TYR 58 CO -0.01 -0.55 0.32 -0.47 -1.11 0.00 0.00 175.55 173.73 2kan s TYR 59 N 1.43 3.31 0.00 2.71 5.04 0.11 0.70 117.35 130.65 2kan s TYR 59 Ca 0.02 -1.36 0.00 0.00 -2.44 0.00 0.00 57.07 53.29 2kan s TYR 59 Cb -0.13 -3.10 0.00 0.00 0.35 0.00 0.00 41.96 39.08 2kan s TYR 59 CO -0.07 -0.85 0.00 0.43 -1.34 0.00 0.00 175.55 173.72 2kan n SER 60 N 5.02 -5.05 0.00 4.32 7.64 -1.14 -0.03 113.62 124.37 2kan n SER 60 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.77 2kan n SER 60 Cb 0.43 -3.05 0.00 0.00 -1.01 0.00 0.00 64.21 60.58 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 0.26 2.03 3.63 0.23 0.00 -1.26 -5.08 105.19 105.01 2kan n GLY 61 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.06 4.30 -0.19 -0.61 -1.09 0.95 -4.98 121.20 117.51 2kan s ILE 62 Ca 0.00 1.46 -0.29 0.00 -2.23 0.00 0.00 60.65 59.59 2kan s ILE 62 Cb 0.00 -4.30 -0.02 0.00 -1.58 0.00 0.00 42.46 36.55 2kan s ILE 62 CO 0.00 -0.53 1.47 -0.70 -1.23 0.00 0.00 174.94 173.95 2kan s GLU 63 N 3.98 4.00 -1.23 2.79 2.12 -1.26 0.03 118.70 129.14 2kan s GLU 63 Ca 0.51 1.67 -0.19 0.00 0.36 0.00 0.00 54.97 57.32 2kan s GLU 63 Cb -0.14 -3.93 0.05 0.00 0.26 0.00 0.00 34.13 30.38 2kan s GLU 63 CO 0.21 -1.03 1.69 -0.51 -0.54 0.00 0.00 175.26 175.08 2kan s LEU 64 N 4.39 3.71 0.00 2.70 1.43 0.79 -4.66 118.68 127.04 2kan s LEU 64 Ca 0.64 -2.16 0.18 0.00 -1.03 0.00 0.00 54.13 51.76 2kan s LEU 64 Cb -0.24 -2.58 0.39 0.00 0.03 0.00 0.00 46.19 43.79 2kan s LEU 64 CO 0.24 -1.38 1.31 0.00 0.23 0.00 0.00 176.35 176.75 2kan n ALA 65 N 8.93 2.35 -3.57 4.21 0.00 -1.26 -4.58 120.51 126.59 2kan n ALA 65 Ca 0.45 -1.04 -0.40 0.00 0.00 0.00 0.00 53.44 52.45 2kan n ALA 65 Cb 0.47 -0.69 -0.07 0.00 0.00 0.00 0.00 19.45 19.17 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 -1.18 5.80 0.52 0.00 1.01 -1.26 -4.92 116.67 116.64 2kan s ASP 66 Ca 0.33 -2.72 0.20 0.00 0.71 0.00 0.00 52.55 51.07 2kan s ASP 66 Cb 0.18 -1.99 1.35 0.00 1.01 0.00 0.00 42.92 43.48 2kan s ASP 66 CO 0.25 -0.47 2.13 0.44 0.21 0.00 0.00 175.17 177.73 2kan h ASP 67 N 7.41 0.00 -0.08 0.27 5.19 -1.93 -1.48 116.42 125.80 2kan h ASP 67 Ca 0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 2kan h ASP 67 Cb 0.99 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.50 2kan h ASP 67 CO 0.74 0.06 0.00 0.00 -3.12 0.00 0.00 179.24 176.92 2kan n TYR 68 N -4.24 0.09 -3.67 4.55 0.18 -1.26 -3.32 117.16 109.50 2kan n TYR 68 Ca -0.03 -0.05 -0.30 0.00 1.88 0.00 0.00 57.90 59.41 2kan n TYR 68 Cb 0.14 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.06 2kan n TYR 68 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 2kan s ARG 69 N -1.91 3.58 0.32 -3.48 0.52 -0.56 -4.96 118.95 112.47 2kan s ARG 69 Ca 0.34 -0.18 -0.11 0.00 -0.52 0.00 0.00 55.73 55.26 2kan s ARG 69 Cb 0.17 -2.84 -0.07 0.00 0.52 0.00 0.00 34.95 32.73 2kan s ARG 69 CO 0.28 0.44 0.67 -0.80 0.02 0.00 0.00 175.30 175.91 2kan s ASN 70 N -2.71 6.61 0.33 0.23 -0.87 -1.26 -1.03 114.94 116.23 2kan s ASN 70 Ca 0.40 1.06 0.03 0.00 -1.57 0.00 0.00 52.86 52.78 2kan s ASN 70 Cb -0.12 -2.29 0.63 0.00 -0.02 0.00 0.00 41.25 39.45 2kan s ASN 70 CO 0.27 -0.23 1.95 -0.07 -2.57 0.00 0.00 177.10 176.44 2kan h LEU 71 N 1.91 0.78 -2.02 0.60 3.38 -0.82 -0.14 115.31 119.01 2kan h LEU 71 Ca -0.47 -0.00 0.11 0.00 0.09 0.00 0.00 57.88 57.60 2kan h LEU 71 Cb 1.18 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 2kan h LEU 71 CO 0.66 0.52 0.28 -1.13 0.09 0.00 0.00 178.44 178.86 2kan h ASN 72 N 0.90 0.00 -0.29 -0.43 -1.24 -1.36 -1.74 115.58 111.42 2kan h ASN 72 Ca 0.33 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 57.25 2kan h ASN 72 Cb 0.16 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.19 2kan h ASN 72 CO -0.11 0.00 -0.11 -0.33 -1.29 0.00 0.00 177.43 175.59 2kan h GLU 73 N 0.00 0.71 0.00 6.67 4.39 -1.30 -1.53 114.58 123.51 2kan h GLU 73 Ca 0.18 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2kan h GLU 73 Cb 0.73 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 2kan h GLU 73 CO -0.00 0.80 -0.02 0.66 -1.16 0.00 0.00 179.01 179.29 2kan n TYR 74 N -4.17 0.31 -0.88 4.33 4.01 -0.73 -4.90 117.16 115.14 2kan n TYR 74 Ca 0.01 0.09 0.00 0.00 -0.16 0.00 0.00 57.90 57.84 2kan n TYR 74 Cb 0.36 -0.64 0.00 0.00 -0.31 0.00 0.00 39.34 38.75 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 1.44 0.76 3.65 2.72 0.00 -0.58 -5.01 105.19 108.17 2kan n GLY 75 Ca 0.06 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 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 3.78 0.00 -0.61 1.01 -0.76 -4.99 121.20 117.63 2kan s ILE 76 Ca 0.00 0.93 0.00 0.00 0.00 0.00 0.00 60.65 61.58 2kan s ILE 76 Cb 0.00 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.80 2kan s ILE 76 CO 0.00 -0.16 0.00 1.07 0.00 0.00 0.00 174.94 175.85 2kan n THR 77 N 5.78 0.00 -2.58 2.92 5.66 -1.26 -4.55 114.28 120.25 2kan n THR 77 Ca 0.17 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.81 2kan n THR 77 Cb 0.44 -0.51 -0.04 0.00 -1.55 0.00 0.00 70.33 68.66 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 -1.41 4.19 -1.65 1.09 2.12 -1.26 -3.09 118.70 118.69 2kan s GLU 78 Ca 0.00 1.46 0.00 0.00 0.36 0.00 0.00 54.97 56.79 2kan s GLU 78 Cb 0.00 -2.52 0.00 0.00 0.26 0.00 0.00 34.13 31.87 2kan s GLU 78 CO 0.00 -0.11 0.00 1.19 -0.54 0.00 0.00 175.26 175.80 2kan n PHE 79 N -0.10 -0.26 -2.19 5.30 3.72 0.14 -4.95 117.46 119.11 2kan n PHE 79 Ca 0.05 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.06 2kan n PHE 79 Cb 0.50 -3.03 -0.02 0.00 -0.94 0.00 0.00 39.48 35.99 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 -2.64 6.55 -0.55 4.37 1.04 -1.18 -4.68 113.70 116.62 2kan s SER 80 Ca 0.00 2.51 -0.19 0.00 0.48 0.00 0.00 55.95 58.75 2kan s SER 80 Cb 0.00 -2.63 0.08 0.00 0.10 0.00 0.00 66.02 63.57 2kan s SER 80 CO 0.00 -0.67 0.67 -0.70 0.98 0.00 0.00 173.24 173.51 2kan s GLU 81 N -2.12 3.09 -0.48 4.02 2.12 -1.26 -0.37 118.70 123.70 2kan s GLU 81 Ca 0.54 -1.08 -0.19 0.00 0.36 0.00 0.00 54.97 54.60 2kan s GLU 81 Cb -0.35 -4.17 0.04 0.00 0.26 0.00 0.00 34.13 29.91 2kan s GLU 81 CO 0.45 -1.37 0.61 0.42 -0.54 0.00 0.00 175.26 174.82 2kan s ILE 82 N 2.68 4.89 -0.25 -3.70 -1.09 0.18 -2.88 121.20 121.02 2kan s ILE 82 Ca 0.14 -0.30 -0.21 0.00 -2.23 0.00 0.00 60.65 58.05 2kan s ILE 82 Cb -0.21 -4.24 -0.02 0.00 -1.58 0.00 0.00 42.46 36.41 2kan s ILE 82 CO 0.09 -0.70 0.64 -0.69 -1.23 0.00 0.00 174.94 173.06 2kan s VAL 83 N 2.62 4.98 -0.35 2.92 1.01 0.22 -0.09 120.40 131.71 2kan s VAL 83 Ca 0.17 1.17 -0.10 0.00 0.00 0.00 0.00 61.98 63.21 2kan s VAL 83 Cb -0.17 -3.95 0.01 0.00 0.00 0.00 0.00 36.38 32.27 2kan s VAL 83 CO 0.14 0.02 0.18 -0.69 0.00 0.00 0.00 175.10 174.76 2kan s VAL 84 N 2.50 4.58 -0.11 2.92 1.01 0.11 -0.47 120.40 130.93 2kan s VAL 84 Ca 0.27 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.52 2kan s VAL 84 Cb -0.15 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 2kan s VAL 84 CO 0.08 -0.12 0.03 -0.36 0.00 0.00 0.00 175.10 174.74 2kan s PHE 85 N 1.58 3.24 -0.26 5.22 0.08 -0.85 -4.02 117.98 122.97 2kan s PHE 85 Ca 0.03 0.19 -0.13 0.00 0.12 0.00 0.00 56.93 57.14 2kan s PHE 85 Cb -0.18 -1.88 -0.04 0.00 -0.57 0.00 0.00 43.02 40.35 2kan s PHE 85 CO 0.06 0.42 0.27 -0.51 -0.10 0.00 0.00 175.22 175.37 2kan s LEU 86 N -0.60 4.06 0.20 -0.37 1.43 -1.26 -0.35 118.68 121.79 2kan s LEU 86 Ca 0.10 0.18 0.23 0.00 -1.03 0.00 0.00 54.13 53.62 2kan s LEU 86 Cb -0.12 -2.27 0.19 0.00 0.03 0.00 0.00 46.19 44.02 2kan s LEU 86 CO 0.02 -0.07 1.24 0.11 0.23 0.00 0.00 176.35 177.87 2kan h LYS 87 N 7.99 0.00 -3.35 1.70 1.79 -1.47 -3.45 116.57 119.78 2kan h LYS 87 Ca -0.35 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 57.94 2kan h LYS 87 Cb 1.17 0.00 -0.26 0.00 -1.58 0.00 0.00 32.23 31.56 2kan h LYS 87 CO 0.62 0.00 -0.52 -1.54 -1.08 0.00 0.00 179.45 176.93 2kan s SER 88 N -5.01 -0.16 -0.10 0.86 1.04 -1.18 -5.10 113.70 104.06 2kan s SER 88 Ca 0.03 0.29 0.04 0.00 0.48 0.00 0.00 55.95 56.79 2kan s SER 88 Cb 0.11 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.55 2kan s SER 88 CO 0.74 -0.08 -0.23 0.27 0.98 0.00 0.00 173.24 174.93 2kan s ILE 89 N -0.02 1.98 -0.29 -1.02 -4.36 -1.26 -4.72 121.20 111.51 2kan s ILE 89 Ca -0.01 -0.97 -0.14 0.00 -0.26 0.00 0.00 60.65 59.28 2kan s ILE 89 Cb -0.02 -1.72 0.11 0.00 1.25 0.00 0.00 42.46 42.08 2kan s ILE 89 CO 0.00 0.54 0.70 0.21 0.24 0.00 0.00 174.94 176.63 2kan s ASN 90 N 0.44 -0.99 -0.92 4.36 2.47 -1.26 -5.09 114.94 113.95 2kan s ASN 90 Ca -0.17 1.48 -0.23 0.00 0.42 0.00 0.00 52.86 54.35 2kan s ASN 90 Cb -0.17 1.76 0.06 0.00 -1.45 0.00 0.00 41.25 41.44 2kan s ASN 90 CO 0.07 -0.22 1.34 -0.13 -3.72 0.00 0.00 177.10 174.44 2kan s ARG 91 N 2.16 3.46 0.28 0.43 1.81 -1.26 -4.85 118.95 120.98 2kan s ARG 91 Ca -0.08 -0.96 -0.14 0.00 -1.72 0.00 0.00 55.73 52.84 2kan s ARG 91 Cb -0.08 -4.95 -0.08 0.00 -0.45 0.00 0.00 34.95 29.39 2kan s ARG 91 CO -0.19 -2.12 0.67 0.00 -0.68 0.00 0.00 175.30 172.98 2kan s ALA 92 N 4.86 3.41 -0.69 2.13 0.00 -1.26 -5.02 121.76 125.18 2kan s ALA 92 Ca 0.40 -0.04 -0.21 0.00 0.00 0.00 0.00 51.96 52.11 2kan s ALA 92 Cb -0.04 -2.67 0.09 0.00 0.00 0.00 0.00 23.12 20.51 2kan s ALA 92 CO -0.03 0.39 0.93 0.21 0.00 0.00 0.00 175.76 177.27 2kan s LYS 93 N -2.80 3.18 0.00 0.00 2.47 -1.26 -5.02 119.74 116.32 2kan s LYS 93 Ca 0.50 -1.11 0.24 0.00 -1.56 0.00 0.00 55.97 54.05 2kan s LYS 93 Cb -0.11 -4.35 0.22 0.00 -1.46 0.00 0.00 37.83 32.12 2kan s LYS 93 CO 0.19 -1.75 1.27 -0.40 0.16 0.00 0.00 175.35 174.82