#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 3.38 2.10 3.03 0.00 -1.26 -2.68 105.19 109.75 2kan n GLY 2 Ca 0.00 -0.17 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 2kan n GLY 2 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kan n HIS 3 N 14.00 2.53 -2.00 1.61 -0.00 -1.26 -5.00 115.22 125.10 2kan n HIS 3 Ca 0.00 -2.20 -0.27 0.00 -0.00 0.00 0.00 57.72 55.25 2kan n HIS 3 Cb 0.00 -0.33 -0.05 0.00 -0.00 0.00 0.00 29.99 29.62 2kan n HIS 3 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kan s HIS 4 N -3.61 1.73 -0.64 1.57 5.65 -1.09 -4.83 115.29 114.06 2kan s HIS 4 Ca 0.48 0.77 0.05 0.00 0.25 0.00 0.00 55.06 56.61 2kan s HIS 4 Cb 0.40 -4.00 0.32 0.00 -1.18 0.00 0.00 32.58 28.12 2kan s HIS 4 CO 0.03 -1.81 0.99 1.58 -0.65 0.00 0.00 174.74 174.88 2kan n HIS 5 N 14.22 3.84 -3.55 3.88 -0.00 -1.26 -4.99 115.22 127.36 2kan n HIS 5 Ca 0.38 -3.88 -0.16 0.00 0.46 0.00 0.00 57.72 54.52 2kan n HIS 5 Cb 0.47 -0.58 -0.06 0.00 -0.12 0.00 0.00 29.99 29.70 2kan n HIS 5 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kan s HIS 6 N -3.34 -0.66 -0.49 1.57 0.09 -1.26 -5.12 115.29 106.08 2kan s HIS 6 Ca 0.46 1.27 -0.08 0.00 -0.00 0.00 0.00 55.06 56.71 2kan s HIS 6 Cb 0.24 0.38 0.13 0.00 -0.00 0.00 0.00 32.58 33.33 2kan s HIS 6 CO -0.11 -0.52 0.35 -1.01 -0.00 0.00 0.00 174.74 173.46 2kan s HIS 7 N -0.78 3.46 -1.67 1.40 4.02 -1.26 -4.86 115.29 115.61 2kan s HIS 7 Ca -0.07 -2.02 0.22 0.00 1.02 0.00 0.00 55.06 54.21 2kan s HIS 7 Cb -0.01 -3.46 -0.01 0.00 -1.02 0.00 0.00 32.58 28.08 2kan s HIS 7 CO 0.07 -0.98 1.07 0.72 1.02 0.00 0.00 174.74 176.64 2kan n HIS 8 N 4.71 0.00 -4.21 1.40 8.25 -1.26 -4.93 115.22 119.18 2kan n HIS 8 Ca -0.05 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.06 2kan n HIS 8 Cb 0.41 -0.02 -0.08 0.00 1.12 0.00 0.00 29.99 31.42 2kan n HIS 8 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2kan s SER 9 N -2.66 5.60 0.01 0.41 0.15 -1.26 -5.11 113.70 110.84 2kan s SER 9 Ca 0.15 0.24 0.08 0.00 0.70 0.00 0.00 55.95 57.12 2kan s SER 9 Cb 0.18 -1.65 -0.03 0.00 -1.71 0.00 0.00 66.02 62.81 2kan s SER 9 CO 0.67 0.38 -0.23 -1.38 1.20 0.00 0.00 173.24 173.87 2kan s HIS 10 N -0.95 2.41 0.00 3.44 0.00 -1.26 -5.13 115.29 113.80 2kan s HIS 10 Ca 0.15 -0.37 0.00 0.00 -3.00 0.00 0.00 55.06 51.84 2kan s HIS 10 Cb -0.12 -1.46 0.00 0.00 -4.00 0.00 0.00 32.58 27.00 2kan s HIS 10 CO 0.04 0.10 0.00 0.00 -1.00 0.00 0.00 174.74 173.88 2kan n ALA 11 N 2.00 0.00 -1.73 -1.38 0.00 -1.26 -5.04 120.51 113.10 2kan n ALA 11 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.86 2kan n ALA 11 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 2kan n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kan n ALA 12 N -3.00 4.57 -1.78 0.00 0.00 -1.26 -4.95 120.51 114.09 2kan n ALA 12 Ca 0.00 -3.70 -0.37 0.00 0.00 0.00 0.00 53.44 49.37 2kan n ALA 12 Cb 0.00 -3.57 -0.04 0.00 0.00 0.00 0.00 19.45 15.84 2kan n ALA 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2kan s VAL 13 N 4.15 3.72 -0.14 0.00 -7.23 -1.26 -5.04 120.40 114.60 2kan s VAL 13 Ca 0.51 1.33 0.02 0.00 -1.81 0.00 0.00 61.98 62.03 2kan s VAL 13 Cb 0.12 -3.69 0.01 0.00 0.56 0.00 0.00 36.38 33.38 2kan s VAL 13 CO -0.01 0.02 -0.19 -0.13 -0.31 0.00 0.00 175.10 174.48 2kan s ARG 14 N -2.46 2.77 0.34 4.82 1.81 -1.26 -5.11 118.95 119.85 2kan s ARG 14 Ca 0.57 -0.76 -0.18 0.00 -1.72 0.00 0.00 55.73 53.64 2kan s ARG 14 Cb -0.22 -2.30 -0.10 0.00 -0.45 0.00 0.00 34.95 31.88 2kan s ARG 14 CO 0.28 -0.08 0.81 0.15 -0.68 0.00 0.00 175.30 175.79 2kan s LYS 15 N 0.99 4.16 0.15 3.54 -0.14 -1.26 -3.42 119.74 123.76 2kan s LYS 15 Ca -0.04 0.89 0.11 0.00 -1.36 0.00 0.00 55.97 55.56 2kan s LYS 15 Cb -0.15 -2.45 -0.04 0.00 -1.68 0.00 0.00 37.83 33.51 2kan s LYS 15 CO -0.04 0.15 -0.25 0.96 -0.76 0.00 0.00 175.35 175.41 2kan s ILE 16 N -1.94 2.18 -0.39 2.17 -4.36 0.25 -4.93 121.20 114.18 2kan s ILE 16 Ca 0.54 -1.83 -0.15 0.00 -0.26 0.00 0.00 60.65 58.96 2kan s ILE 16 Cb -0.11 -1.97 0.01 0.00 1.25 0.00 0.00 42.46 41.64 2kan s ILE 16 CO 0.17 -0.02 0.33 -1.00 0.24 0.00 0.00 174.94 174.66 2kan s HIS 17 N -1.33 3.22 -0.13 1.37 3.76 -1.26 -1.47 115.29 119.44 2kan s HIS 17 Ca 0.15 -0.38 -0.06 0.00 -0.15 0.00 0.00 55.06 54.62 2kan s HIS 17 Cb -0.09 -2.65 -0.04 0.00 1.11 0.00 0.00 32.58 30.91 2kan s HIS 17 CO 0.07 -0.55 0.10 0.14 -0.85 0.00 0.00 174.74 173.65 2kan s VAL 18 N 1.85 5.15 -0.43 -0.90 -7.23 -0.50 -0.14 120.40 118.20 2kan s VAL 18 Ca 0.08 0.08 -0.21 0.00 -1.81 0.00 0.00 61.98 60.11 2kan s VAL 18 Cb -0.18 -3.25 0.02 0.00 0.56 0.00 0.00 36.38 33.53 2kan s VAL 18 CO 0.11 0.57 0.69 -0.89 -0.31 0.00 0.00 175.10 175.27 2kan s THR 19 N -0.63 4.78 -0.42 5.32 2.01 0.07 -1.25 115.64 125.52 2kan s THR 19 Ca 0.12 0.27 -0.22 0.00 0.31 0.00 0.00 61.69 62.18 2kan s THR 19 Cb -0.12 -4.23 0.02 0.00 0.01 0.00 0.00 72.50 68.18 2kan s THR 19 CO 0.02 -0.60 0.71 -0.69 -0.69 0.00 0.00 174.62 173.37 2kan s VAL 20 N 2.96 4.77 -0.74 3.82 1.01 0.58 0.45 120.40 133.24 2kan s VAL 20 Ca 0.25 0.40 -0.19 0.00 0.00 0.00 0.00 61.98 62.44 2kan s VAL 20 Cb -0.13 -4.22 0.12 0.00 0.00 0.00 0.00 36.38 32.14 2kan s VAL 20 CO 0.20 -0.57 0.89 -0.54 0.00 0.00 0.00 175.10 175.08 2kan s LYS 21 N 3.00 3.30 -0.05 2.72 1.02 0.99 -2.40 119.74 128.31 2kan s LYS 21 Ca 0.26 -1.52 -0.03 0.00 0.02 0.00 0.00 55.97 54.71 2kan s LYS 21 Cb -0.13 -4.48 -0.04 0.00 -0.52 0.00 0.00 37.83 32.66 2kan s LYS 21 CO 0.19 -1.63 0.09 -0.06 -0.92 0.00 0.00 175.35 173.02 2kan s PHE 22 N 2.62 3.37 0.65 3.18 0.08 -0.92 -1.15 117.98 125.80 2kan s PHE 22 Ca 0.21 0.31 0.43 0.00 0.12 0.00 0.00 56.93 58.00 2kan s PHE 22 Cb -0.15 -1.81 2.35 0.00 -0.57 0.00 0.00 43.02 42.84 2kan s PHE 22 CO 0.00 0.59 2.32 -1.00 -0.10 0.00 0.00 175.22 177.04 2kan h PRO 23 N 4.53 0.00 0.00 0.24 0.13 -1.96 -2.98 132.00 131.96 2kan h PRO 23 Ca -0.51 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2kan h PRO 23 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kan h PRO 23 CO 0.60 0.00 -0.00 1.03 -0.23 0.00 0.00 178.00 179.40 2kan h SER 24 N 0.00 -0.00 -5.27 1.44 0.87 -1.97 -3.50 113.55 105.13 2kan h SER 24 Ca 0.00 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.45 2kan h SER 24 Cb 0.05 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.95 2kan h SER 24 CO 0.00 0.00 -0.04 -1.59 -0.53 0.00 0.00 176.83 174.68 2kan s LYS 25 N -1.51 1.83 -0.16 2.24 -2.85 -1.13 -5.16 119.74 113.01 2kan s LYS 25 Ca -0.00 -1.44 -0.02 0.00 -1.00 0.00 0.00 55.97 53.51 2kan s LYS 25 Cb 0.00 0.50 -0.02 0.00 -2.06 0.00 0.00 37.83 36.26 2kan s LYS 25 CO 0.00 -0.79 -0.08 -1.14 0.10 0.00 0.00 175.35 173.44 2kan s GLN 26 N -3.33 3.45 0.08 1.78 0.74 -1.26 -2.16 119.66 118.96 2kan s GLN 26 Ca 0.23 -0.63 -0.09 0.00 0.05 0.00 0.00 55.36 54.92 2kan s GLN 26 Cb -0.02 -2.80 0.00 0.00 1.10 0.00 0.00 33.01 31.29 2kan s GLN 26 CO 0.13 0.11 0.21 -0.59 -0.55 0.00 0.00 175.29 174.60 2kan s PHE 27 N 0.66 0.10 -0.09 1.67 -0.71 -1.01 -5.01 117.98 113.60 2kan s PHE 27 Ca -0.05 -0.49 -0.02 0.00 -1.04 0.00 0.00 56.93 55.33 2kan s PHE 27 Cb -0.15 -0.03 -0.03 0.00 -1.21 0.00 0.00 43.02 41.60 2kan s PHE 27 CO 0.02 -0.54 0.03 0.99 -1.34 0.00 0.00 175.22 174.38 2kan s THR 28 N -3.63 4.51 0.00 -4.49 2.01 -1.26 -0.31 115.64 112.47 2kan s THR 28 Ca 0.03 -0.19 0.07 0.00 0.31 0.00 0.00 61.69 61.91 2kan s THR 28 Cb 0.04 -2.92 -0.02 0.00 0.01 0.00 0.00 72.50 69.61 2kan s THR 28 CO -0.10 0.59 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.51 2kan s VAL 29 N -0.92 1.76 -0.31 3.82 1.01 -0.38 -4.95 120.40 120.43 2kan s VAL 29 Ca 0.14 -1.04 -0.21 0.00 0.00 0.00 0.00 61.98 60.87 2kan s VAL 29 Cb -0.11 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 2kan s VAL 29 CO 0.03 0.41 0.66 -1.61 0.00 0.00 0.00 175.10 174.60 2kan s GLU 30 N -0.74 3.90 0.10 2.72 2.02 -1.26 -1.41 118.70 124.04 2kan s GLU 30 Ca 0.09 0.34 0.04 0.00 0.02 0.00 0.00 54.97 55.45 2kan s GLU 30 Cb -0.09 -3.73 -0.04 0.00 0.10 0.00 0.00 34.13 30.37 2kan s GLU 30 CO 0.00 -0.60 -0.10 0.14 0.02 0.00 0.00 175.26 174.72 2kan s VAL 31 N 2.69 0.96 0.68 2.63 -7.23 -0.54 -4.94 120.40 114.65 2kan s VAL 31 Ca 0.27 -1.71 -0.11 0.00 -1.81 0.00 0.00 61.98 58.61 2kan s VAL 31 Cb -0.15 -1.45 -0.00 0.00 0.56 0.00 0.00 36.38 35.35 2kan s VAL 31 CO 0.12 -0.60 1.05 -0.62 -0.31 0.00 0.00 175.10 174.75 2kan s ASP 32 N -2.57 5.55 0.51 4.85 -1.08 -1.26 0.86 116.67 123.52 2kan s ASP 32 Ca 0.07 1.55 0.30 0.00 -0.52 0.00 0.00 52.55 53.95 2kan s ASP 32 Cb -0.02 -2.46 1.02 0.00 -1.46 0.00 0.00 42.92 40.00 2kan s ASP 32 CO -0.00 -1.33 1.86 0.08 0.52 0.00 0.00 175.17 176.30 2kan h ARG 33 N -0.64 0.00 -0.64 4.34 0.11 -1.92 -2.21 114.38 113.43 2kan h ARG 33 Ca -0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.64 2kan h ARG 33 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 2kan h ARG 33 CO 0.58 0.01 0.00 0.25 0.10 0.00 0.00 179.97 180.91 2kan n THR 34 N -3.10 1.84 -1.83 0.08 -2.24 -1.26 -1.78 114.28 105.98 2kan n THR 34 Ca 0.02 -1.21 -0.42 0.00 -2.27 0.00 0.00 64.05 60.17 2kan n THR 34 Cb 0.38 0.13 -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 -1.85 4.16 0.51 -0.78 2.56 -0.83 -4.65 118.70 117.82 2kan s GLU 35 Ca 0.51 2.51 -0.20 0.00 0.00 0.00 0.00 54.97 57.79 2kan s GLU 35 Cb 0.33 -3.06 -0.07 0.00 2.00 0.00 0.00 34.13 33.32 2kan s GLU 35 CO 0.24 -0.61 1.08 0.99 -0.56 0.00 0.00 175.26 176.40 2kan s THR 36 N 0.33 3.48 0.21 -1.70 2.01 -1.26 -0.22 115.64 118.49 2kan s THR 36 Ca 0.65 0.92 -0.09 0.00 0.31 0.00 0.00 61.69 63.48 2kan s THR 36 Cb -0.47 -3.37 0.15 0.00 0.01 0.00 0.00 72.50 68.82 2kan s THR 36 CO 0.42 -0.20 1.83 0.58 -0.69 0.00 0.00 174.62 176.56 2kan h VAL 37 N 1.38 1.02 0.00 3.82 2.07 -0.18 0.36 116.25 124.72 2kan h VAL 37 Ca -0.50 -0.26 -0.07 0.00 0.82 0.00 0.00 66.70 66.69 2kan h VAL 37 Cb 1.24 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 2kan h VAL 37 CO 0.58 0.14 -0.31 -1.28 0.02 0.00 0.00 177.57 176.72 2kan h SER 38 N 0.77 0.00 1.00 0.57 0.87 -1.53 -1.70 113.55 113.53 2kan h SER 38 Ca 0.30 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.66 2kan h SER 38 Cb 0.12 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.05 2kan h SER 38 CO -0.15 0.31 -0.93 0.28 -0.53 0.00 0.00 176.83 175.82 2kan h SER 39 N 0.00 0.00 -0.00 6.23 0.02 -1.39 0.36 113.55 118.77 2kan h SER 39 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kan h SER 39 Cb 0.71 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.25 2kan h SER 39 CO 0.04 0.93 0.00 0.25 -1.14 0.00 0.00 176.83 176.91 2kan h LEU 40 N 0.00 0.00 -1.13 5.07 5.85 0.08 -0.90 115.31 124.29 2kan h LEU 40 Ca -0.01 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.47 2kan h LEU 40 Cb 1.68 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.68 2kan h LEU 40 CO 0.12 0.22 0.28 0.11 -0.34 0.00 0.00 178.44 178.83 2kan h LYS 41 N -0.21 0.89 -0.16 1.25 1.57 -1.26 -1.47 116.57 117.17 2kan h LYS 41 Ca 0.00 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2kan h LYS 41 Cb 0.21 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2kan h LYS 41 CO -0.00 0.70 0.11 0.22 -0.57 0.00 0.00 179.45 179.91 2kan h ASP 42 N 0.89 0.19 -0.53 0.86 3.58 -0.72 0.11 116.42 120.80 2kan h ASP 42 Ca 0.22 -0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.65 2kan h ASP 42 Cb 0.12 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.09 2kan h ASP 42 CO -0.03 0.16 0.34 0.11 -2.88 0.00 0.00 179.24 176.95 2kan h LYS 43 N 0.21 0.68 -0.58 0.28 1.57 -0.82 -1.77 116.57 116.14 2kan h LYS 43 Ca 0.06 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 2kan h LYS 43 Cb -0.00 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 2kan h LYS 43 CO -0.01 0.45 0.18 0.82 -0.57 0.00 0.00 179.45 180.32 2kan h ILE 44 N 0.70 1.22 0.00 1.86 2.04 -0.99 -1.72 117.51 120.62 2kan h ILE 44 Ca 0.20 -0.76 -0.05 0.00 1.00 0.00 0.00 64.86 65.25 2kan h ILE 44 Cb -0.06 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 2kan h ILE 44 CO -0.06 0.29 -0.23 -0.74 0.00 0.00 0.00 178.15 177.41 2kan h HIS 45 N 0.85 0.00 -0.04 1.37 2.76 -0.22 0.44 115.15 120.31 2kan h HIS 45 Ca 0.19 0.00 -0.22 0.00 -2.20 0.00 0.00 60.37 58.14 2kan h HIS 45 Cb 0.24 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.20 2kan h HIS 45 CO 0.02 0.23 -0.87 0.82 -1.30 0.00 0.00 177.93 176.82 2kan h ILE 46 N 0.00 1.37 0.00 6.26 2.04 -0.48 -3.35 117.51 123.34 2kan h ILE 46 Ca -0.00 -2.28 -0.00 0.00 1.00 0.00 0.00 64.86 63.57 2kan h ILE 46 Cb 0.42 2.27 -0.00 0.00 -0.74 0.00 0.00 36.82 38.78 2kan h ILE 46 CO 0.03 0.69 -0.01 0.58 0.00 0.00 0.00 178.15 179.44 2kan h VAL 47 N 0.30 1.23 -4.31 1.67 2.07 -0.94 -3.47 116.25 112.80 2kan h VAL 47 Ca -0.07 -1.93 -0.36 0.00 0.82 0.00 0.00 66.70 65.17 2kan h VAL 47 Cb 1.49 2.33 0.10 0.00 -1.52 0.00 0.00 31.29 33.70 2kan h VAL 47 CO 0.16 0.42 0.21 -0.62 0.02 0.00 0.00 177.57 177.76 2kan n GLU 48 N -4.66 -0.49 -0.27 1.57 -0.58 0.15 -5.01 120.64 111.35 2kan n GLU 48 Ca -0.07 -1.92 0.09 0.00 -0.42 0.00 0.00 57.16 54.83 2kan n GLU 48 Cb 0.33 -0.80 0.19 0.00 -0.57 0.00 0.00 31.44 30.59 2kan n GLU 48 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2kan n ASN 49 N -3.29 2.90 -4.64 1.62 3.02 -1.26 -4.67 115.26 108.94 2kan n ASN 49 Ca 0.13 -3.13 -0.37 0.00 -0.03 0.00 0.00 54.58 51.18 2kan n ASN 49 Cb 0.47 -0.49 -0.10 0.00 -0.61 0.00 0.00 39.78 39.05 2kan n ASN 49 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2kan s THR 50 N -2.90 5.32 0.42 3.41 2.01 -1.26 -5.06 115.64 117.57 2kan s THR 50 Ca 0.37 0.26 -0.24 0.00 0.31 0.00 0.00 61.69 62.39 2kan s THR 50 Cb 0.31 -3.55 -0.11 0.00 0.01 0.00 0.00 72.50 69.17 2kan s THR 50 CO 0.05 0.30 1.00 -2.65 -0.69 0.00 0.00 174.62 172.63 2kan n PRO 51 N 4.58 1.33 -0.33 4.92 -0.02 -1.26 -4.54 135.00 139.69 2kan n PRO 51 Ca -0.14 0.48 -0.03 0.00 -2.02 0.00 0.00 63.50 61.79 2kan n PRO 51 Cb 0.52 -2.03 0.11 0.00 -0.02 0.00 0.00 33.50 32.08 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 1.52 1.25 0.00 4.25 2.04 -1.90 -1.97 117.51 122.71 2kan h ILE 52 Ca -0.44 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 64.84 2kan h ILE 52 Cb 1.34 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 2kan h ILE 52 CO 0.57 0.27 0.00 0.29 0.00 0.00 0.00 178.15 179.28 2kan n LYS 53 N -4.35 0.01 -0.10 2.37 4.76 -1.26 -3.05 118.16 116.53 2kan n LYS 53 Ca 0.10 0.17 -0.14 0.00 -2.87 0.00 0.00 58.31 55.57 2kan n LYS 53 Cb 0.07 -1.50 -0.14 0.00 -1.84 0.00 0.00 35.03 31.62 2kan n LYS 53 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2kan n ARG 54 N -1.49 0.67 -3.38 1.97 1.74 -0.77 -4.88 116.66 110.52 2kan n ARG 54 Ca 0.05 0.09 -0.38 0.00 -0.77 0.00 0.00 57.85 56.84 2kan n ARG 54 Cb 0.22 -1.54 -0.07 0.00 -1.02 0.00 0.00 32.46 30.05 2kan n ARG 54 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kan s MET 55 N -2.51 4.19 -0.12 5.56 0.23 -1.01 0.60 119.30 126.23 2kan s MET 55 Ca -0.22 0.23 -0.03 0.00 -1.03 0.00 0.00 55.69 54.64 2kan s MET 55 Cb 0.07 -3.53 -0.03 0.00 -1.53 0.00 0.00 34.83 29.82 2kan s MET 55 CO 0.72 -0.02 -0.01 -1.14 -2.03 0.00 0.00 175.02 172.53 2kan s GLN 56 N 1.26 3.35 -0.18 3.16 2.00 0.65 -4.89 119.66 125.02 2kan s GLN 56 Ca 0.20 -0.46 -0.13 0.00 -2.00 0.00 0.00 55.36 52.96 2kan s GLN 56 Cb -0.15 -2.87 -0.05 0.00 0.80 0.00 0.00 33.01 30.75 2kan s GLN 56 CO 0.08 0.46 0.27 -0.51 -0.50 0.00 0.00 175.29 175.10 2kan s LEU 57 N -0.23 4.22 -0.18 3.68 1.43 -1.26 -0.95 118.68 125.40 2kan s LEU 57 Ca 0.05 0.44 -0.00 0.00 -1.03 0.00 0.00 54.13 53.59 2kan s LEU 57 Cb -0.13 -2.33 0.01 0.00 0.03 0.00 0.00 46.19 43.77 2kan s LEU 57 CO 0.02 0.09 -0.16 -0.31 0.23 0.00 0.00 176.35 176.22 2kan s TYR 58 N 0.59 2.80 -0.43 0.29 1.51 0.14 0.16 117.35 122.42 2kan s TYR 58 Ca 0.15 -1.27 -0.11 0.00 -1.01 0.00 0.00 57.07 54.82 2kan s TYR 58 Cb -0.13 -1.94 0.07 0.00 -0.11 0.00 0.00 41.96 39.86 2kan s TYR 58 CO 0.03 -0.63 0.29 -0.47 -1.11 0.00 0.00 175.55 173.67 2kan s TYR 59 N 1.12 3.30 -1.97 2.71 5.04 0.23 0.09 117.35 127.88 2kan s TYR 59 Ca 0.00 -1.31 0.00 0.00 -2.44 0.00 0.00 57.07 53.32 2kan s TYR 59 Cb -0.14 -2.95 0.00 0.00 0.35 0.00 0.00 41.96 39.21 2kan s TYR 59 CO -0.06 -0.81 0.00 0.43 -1.34 0.00 0.00 175.55 173.77 2kan n SER 60 N 5.00 -5.38 0.00 4.32 7.64 -1.26 -0.66 113.62 123.29 2kan n SER 60 Ca -0.11 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.14 2kan n SER 60 Cb 0.43 -4.55 0.00 0.00 -1.01 0.00 0.00 64.21 59.09 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 -0.69 2.92 3.67 0.23 0.00 -1.26 -5.06 105.19 104.99 2kan n GLY 61 Ca -0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.66 4.92 0.02 -0.61 1.01 0.17 -5.01 121.20 119.04 2kan s ILE 62 Ca 0.00 1.50 -0.27 0.00 0.00 0.00 0.00 60.65 61.88 2kan s ILE 62 Cb 0.00 -4.08 -0.05 0.00 0.01 0.00 0.00 42.46 38.34 2kan s ILE 62 CO 0.00 0.04 0.84 -1.83 0.00 0.00 0.00 174.94 174.00 2kan s GLU 63 N 2.12 4.54 -1.26 2.79 1.03 -1.26 0.74 118.70 127.39 2kan s GLU 63 Ca 0.35 1.19 -0.13 0.00 0.03 0.00 0.00 54.97 56.41 2kan s GLU 63 Cb -0.16 -3.41 0.14 0.00 -0.80 0.00 0.00 34.13 29.90 2kan s GLU 63 CO 0.11 0.14 1.65 1.28 -1.33 0.00 0.00 175.26 177.12 2kan n LEU 64 N 3.28 5.64 0.03 1.83 4.77 0.12 -4.71 117.00 127.96 2kan n LEU 64 Ca 0.01 -4.39 0.11 0.00 -0.03 0.00 0.00 56.01 51.71 2kan n LEU 64 Cb 0.50 -1.61 0.05 0.00 -2.33 0.00 0.00 43.42 40.03 2kan n LEU 64 CO 0.49 0.82 0.07 0.00 -1.33 0.00 0.00 177.39 177.44 2kan n ALA 65 N 5.70 3.40 -3.38 -1.18 0.00 -1.26 -4.56 120.51 119.22 2kan n ALA 65 Ca 0.41 -0.39 -0.45 0.00 0.00 0.00 0.00 53.44 53.01 2kan n ALA 65 Cb 0.41 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.84 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 -3.87 6.70 0.58 0.00 1.01 -1.26 -4.89 116.67 114.94 2kan s ASP 66 Ca 0.05 -2.96 0.28 0.00 0.71 0.00 0.00 52.55 50.63 2kan s ASP 66 Cb 0.14 -2.16 1.58 0.00 1.01 0.00 0.00 42.92 43.49 2kan s ASP 66 CO 0.79 -0.47 2.04 0.44 0.21 0.00 0.00 175.17 178.18 2kan h ASP 67 N 7.38 0.00 -0.06 0.27 5.19 -1.92 -1.24 116.42 126.04 2kan h ASP 67 Ca 0.11 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.52 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 0.81 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.93 2kan n TYR 68 N -3.84 0.07 -3.18 4.55 4.11 -1.26 -1.59 117.16 116.02 2kan n TYR 68 Ca 0.04 -0.04 -0.19 0.00 -0.00 0.00 0.00 57.90 57.72 2kan n TYR 68 Cb 0.43 0.00 0.01 0.00 -0.00 0.00 0.00 39.34 39.78 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 -1.93 2.66 0.33 -3.48 0.52 -0.47 -4.93 118.95 111.64 2kan s ARG 69 Ca 0.30 -1.40 0.08 0.00 -0.52 0.00 0.00 55.73 54.18 2kan s ARG 69 Cb 0.15 -2.63 -0.03 0.00 0.52 0.00 0.00 34.95 32.96 2kan s ARG 69 CO 0.23 -0.36 0.24 -0.80 0.02 0.00 0.00 175.30 174.63 2kan s ASN 70 N -4.34 5.15 0.37 0.23 0.01 -1.26 0.26 114.94 115.35 2kan s ASN 70 Ca 0.54 -0.54 0.06 0.00 -0.71 0.00 0.00 52.86 52.21 2kan s ASN 70 Cb -0.07 -0.96 0.73 0.00 0.41 0.00 0.00 41.25 41.36 2kan s ASN 70 CO 0.32 -0.29 1.96 -0.07 -1.51 0.00 0.00 177.10 177.51 2kan h LEU 71 N 1.37 0.46 -2.21 0.60 3.38 -0.74 -1.72 115.31 116.45 2kan h LEU 71 Ca -0.45 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.48 2kan h LEU 71 Cb 1.25 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 2kan h LEU 71 CO 0.60 0.45 0.04 -0.55 0.09 0.00 0.00 178.44 179.07 2kan h ASN 72 N 0.51 0.00 0.49 -0.43 -1.07 -1.60 -0.43 115.58 113.05 2kan h ASN 72 Ca 0.12 0.00 -0.06 0.00 0.07 0.00 0.00 56.30 56.44 2kan h ASN 72 Cb 0.16 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.40 2kan h ASN 72 CO -0.01 0.00 -0.27 -0.33 0.07 0.00 0.00 177.43 176.89 2kan h GLU 73 N 0.00 0.00 -0.01 4.14 4.39 -1.62 -2.55 114.58 118.94 2kan h GLU 73 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2kan h GLU 73 Cb 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2kan h GLU 73 CO -0.00 0.27 -0.64 0.66 -1.16 0.00 0.00 179.01 178.13 2kan n TYR 74 N -3.80 0.00 -2.02 4.33 4.01 -0.23 -4.96 117.16 114.49 2kan n TYR 74 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 2kan n TYR 74 Cb 0.36 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.34 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 1.45 0.70 3.73 2.72 0.00 -0.87 -5.03 105.19 107.89 2kan n GLY 75 Ca 0.07 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.38 4.92 0.00 -0.61 1.01 -0.90 -5.02 121.20 118.21 2kan s ILE 76 Ca 0.00 1.48 0.00 0.00 0.00 0.00 0.00 60.65 62.13 2kan s ILE 76 Cb 0.00 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.42 2kan s ILE 76 CO 0.00 0.31 0.00 1.07 0.00 0.00 0.00 174.94 176.32 2kan n THR 77 N 3.29 0.00 -2.22 2.92 5.66 -1.26 -4.58 114.28 118.09 2kan n THR 77 Ca -0.02 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.58 2kan n THR 77 Cb 0.51 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.27 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 -1.72 4.33 -0.76 1.09 2.12 -1.26 -3.06 118.70 119.43 2kan s GLU 78 Ca 0.00 2.06 0.00 0.00 0.36 0.00 0.00 54.97 57.39 2kan s GLU 78 Cb 0.00 -3.00 0.00 0.00 0.26 0.00 0.00 34.13 31.39 2kan s GLU 78 CO 0.00 -0.15 0.00 0.34 -0.54 0.00 0.00 175.26 174.91 2kan n PHE 79 N 0.69 -0.01 -2.54 5.30 7.35 0.81 -4.92 117.46 124.13 2kan n PHE 79 Ca 0.01 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.29 2kan n PHE 79 Cb 0.43 -1.55 -0.04 0.00 0.35 0.00 0.00 39.48 38.68 2kan n PHE 79 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 2kan s SER 80 N -2.92 7.28 -0.22 -2.13 1.04 -1.17 -4.79 113.70 110.78 2kan s SER 80 Ca 0.00 2.02 -0.19 0.00 0.48 0.00 0.00 55.95 58.26 2kan s SER 80 Cb 0.00 -2.60 -0.03 0.00 0.10 0.00 0.00 66.02 63.49 2kan s SER 80 CO 0.00 -0.23 0.54 -1.61 0.98 0.00 0.00 173.24 172.92 2kan s GLU 81 N -0.07 4.15 -0.25 4.02 2.02 -1.26 -0.75 118.70 126.55 2kan s GLU 81 Ca 0.50 0.42 -0.07 0.00 0.02 0.00 0.00 54.97 55.84 2kan s GLU 81 Cb -0.28 -3.60 -0.03 0.00 0.10 0.00 0.00 34.13 30.32 2kan s GLU 81 CO 0.33 -0.25 0.07 0.42 0.02 0.00 0.00 175.26 175.85 2kan s ILE 82 N 1.96 4.29 -0.23 -1.63 -1.09 0.17 -4.05 121.20 120.62 2kan s ILE 82 Ca 0.24 -0.21 -0.17 0.00 -2.23 0.00 0.00 60.65 58.28 2kan s ILE 82 Cb -0.16 -3.02 -0.03 0.00 -1.58 0.00 0.00 42.46 37.67 2kan s ILE 82 CO 0.09 0.32 0.45 -0.69 -1.23 0.00 0.00 174.94 173.88 2kan s VAL 83 N 1.61 5.14 -0.39 2.92 1.01 0.11 -0.01 120.40 130.79 2kan s VAL 83 Ca 0.06 0.78 -0.14 0.00 0.00 0.00 0.00 61.98 62.68 2kan s VAL 83 Cb -0.15 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.47 2kan s VAL 83 CO 0.04 0.17 0.28 -0.69 0.00 0.00 0.00 175.10 174.89 2kan s VAL 84 N 1.82 5.18 -0.18 2.92 1.01 -0.30 0.27 120.40 131.12 2kan s VAL 84 Ca 0.20 -0.58 -0.14 0.00 0.00 0.00 0.00 61.98 61.46 2kan s VAL 84 Cb -0.15 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 2kan s VAL 84 CO 0.09 -0.23 0.29 -0.36 0.00 0.00 0.00 175.10 174.88 2kan s PHE 85 N 1.67 3.42 -0.14 5.22 0.40 -0.12 -4.50 117.98 123.93 2kan s PHE 85 Ca 0.05 0.54 -0.20 0.00 -0.60 0.00 0.00 56.93 56.72 2kan s PHE 85 Cb -0.19 -2.36 -0.04 0.00 0.51 0.00 0.00 43.02 40.95 2kan s PHE 85 CO 0.10 0.17 0.55 -0.51 0.70 0.00 0.00 175.22 176.23 2kan s LEU 86 N 0.72 4.23 -0.66 -0.37 1.43 -1.26 -0.25 118.68 122.51 2kan s LEU 86 Ca 0.15 0.85 -0.16 0.00 -1.03 0.00 0.00 54.13 53.95 2kan s LEU 86 Cb -0.13 -2.80 0.16 0.00 0.03 0.00 0.00 46.19 43.44 2kan s LEU 86 CO 0.04 -0.11 0.63 -0.54 0.23 0.00 0.00 176.35 176.60 2kan s LYS 87 N 1.12 3.23 -0.93 1.70 -0.14 0.20 -4.95 119.74 119.97 2kan s LYS 87 Ca 0.28 -1.95 -0.21 0.00 -1.36 0.00 0.00 55.97 52.73 2kan s LYS 87 Cb -0.16 -4.36 0.08 0.00 -1.68 0.00 0.00 37.83 31.72 2kan s LYS 87 CO 0.11 -1.35 1.26 0.45 -0.76 0.00 0.00 175.35 175.07 2kan s SER 88 N 3.09 6.50 -0.32 2.83 0.15 -1.26 -4.72 113.70 119.97 2kan s SER 88 Ca 0.10 -1.58 -0.15 0.00 0.70 0.00 0.00 55.95 55.02 2kan s SER 88 Cb -0.22 -2.48 -0.02 0.00 -1.71 0.00 0.00 66.02 61.59 2kan s SER 88 CO -0.01 -1.34 0.34 0.27 1.20 0.00 0.00 173.24 173.69 2kan s ILE 89 N 4.00 5.19 -0.06 6.45 -4.36 -1.26 -5.05 121.20 126.11 2kan s ILE 89 Ca 0.38 0.15 0.00 0.00 -0.26 0.00 0.00 60.65 60.92 2kan s ILE 89 Cb -0.04 -3.76 0.02 0.00 1.25 0.00 0.00 42.46 39.94 2kan s ILE 89 CO -0.06 0.00 -0.03 0.21 0.24 0.00 0.00 174.94 175.30 2kan s ASN 90 N 1.72 1.27 -0.01 4.36 3.84 -1.26 -5.14 114.94 119.72 2kan s ASN 90 Ca 0.12 -0.13 0.08 0.00 0.21 0.00 0.00 52.86 53.13 2kan s ASN 90 Cb -0.16 -0.48 -0.02 0.00 -0.55 0.00 0.00 41.25 40.04 2kan s ASN 90 CO 0.11 -0.11 -0.24 0.00 -2.79 0.00 0.00 177.10 174.08 2kan s ARG 91 N 1.34 1.90 0.33 0.43 3.03 -1.26 -5.14 118.95 119.58 2kan s ARG 91 Ca -0.04 -0.88 0.07 0.00 2.03 0.00 0.00 55.73 56.91 2kan s ARG 91 Cb -0.13 -1.86 -0.02 0.00 -1.03 0.00 0.00 34.95 31.90 2kan s ARG 91 CO -0.02 0.51 0.36 0.00 -1.13 0.00 0.00 175.30 175.01 2kan s ALA 92 N -0.59 4.00 -0.11 7.88 0.00 -1.26 -5.03 121.76 126.64 2kan s ALA 92 Ca 0.09 -1.57 0.20 0.00 0.00 0.00 0.00 51.96 50.68 2kan s ALA 92 Cb -0.09 -1.37 -0.28 0.00 0.00 0.00 0.00 23.12 21.38 2kan s ALA 92 CO -0.01 -0.00 0.34 1.17 0.00 0.00 0.00 175.76 177.26 2kan n LYS 93 N -1.48 0.67 0.00 0.00 4.81 -1.26 -5.37 118.16 115.53 2kan n LYS 93 Ca -0.01 -0.08 0.00 0.00 -0.87 0.00 0.00 58.31 57.35 2kan n LYS 93 Cb 0.59 -1.55 0.00 0.00 0.02 0.00 0.00 35.03 34.09 2kan n LYS 93 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10