#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 0.68 3.01 3.03 0.00 -1.26 -5.02 105.19 105.64 2kan n GLY 2 Ca 0.00 -1.92 -0.22 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.92 1.14 0.06 1.61 4.02 -1.26 -5.12 115.29 113.82 2kan s HIS 3 Ca 0.00 -0.33 -0.30 0.00 1.02 0.00 0.00 55.06 55.45 2kan s HIS 3 Cb 0.00 -0.82 -0.05 0.00 -1.02 0.00 0.00 32.58 30.69 2kan s HIS 3 CO 0.00 -0.16 1.11 -3.38 1.02 0.00 0.00 174.74 173.33 2kan s HIS 4 N 0.36 3.54 -0.01 1.40 0.00 -1.26 -5.00 115.29 114.32 2kan s HIS 4 Ca -0.07 1.48 -0.18 0.00 -3.00 0.00 0.00 55.06 53.29 2kan s HIS 4 Cb -0.11 -3.30 -0.06 0.00 -4.00 0.00 0.00 32.58 25.12 2kan s HIS 4 CO 0.01 -0.75 0.52 -1.01 -1.00 0.00 0.00 174.74 172.52 2kan s HIS 5 N 0.83 3.69 -0.39 0.38 0.09 -1.26 -5.03 115.29 113.61 2kan s HIS 5 Ca 0.55 1.11 0.07 0.00 -0.00 0.00 0.00 55.06 56.79 2kan s HIS 5 Cb -0.27 -2.49 0.17 0.00 -0.00 0.00 0.00 32.58 30.00 2kan s HIS 5 CO 0.30 0.45 0.56 -1.58 -0.00 0.00 0.00 174.74 174.47 2kan s HIS 6 N -0.48 -1.39 -0.13 1.40 5.65 -1.26 -5.11 115.29 113.97 2kan s HIS 6 Ca 0.28 0.05 -0.29 0.00 0.25 0.00 0.00 55.06 55.35 2kan s HIS 6 Cb -0.18 0.14 -0.05 0.00 -1.18 0.00 0.00 32.58 31.31 2kan s HIS 6 CO 0.15 -1.12 1.82 -1.01 -0.65 0.00 0.00 174.74 173.94 2kan s HIS 7 N 1.82 1.70 -0.01 3.88 0.09 -1.26 -4.96 115.29 116.55 2kan s HIS 7 Ca 0.16 0.23 0.02 0.00 -0.00 0.00 0.00 55.06 55.46 2kan s HIS 7 Cb -0.07 -4.03 -0.00 0.00 -0.00 0.00 0.00 32.58 28.48 2kan s HIS 7 CO -0.08 -3.98 -0.06 -3.38 -0.00 0.00 0.00 174.74 167.24 2kan s HIS 8 N 5.38 0.58 -0.31 1.40 -3.43 -1.26 -5.10 115.29 112.55 2kan s HIS 8 Ca 0.81 -0.11 0.04 0.00 -0.80 0.00 0.00 55.06 55.01 2kan s HIS 8 Cb -0.32 -0.38 0.18 0.00 -1.43 0.00 0.00 32.58 30.63 2kan s HIS 8 CO 0.33 -0.01 0.50 -1.54 -2.00 0.00 0.00 174.74 172.02 2kan s SER 9 N -0.12 -0.47 0.00 7.38 1.04 -1.26 -5.01 113.70 115.25 2kan s SER 9 Ca 0.02 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.11 2kan s SER 9 Cb -0.03 1.48 0.00 0.00 0.10 0.00 0.00 66.02 67.58 2kan s SER 9 CO -0.00 -0.30 0.00 1.57 0.98 0.00 0.00 173.24 175.48 2kan n HIS 10 N 5.16 0.00 -2.71 5.02 -0.00 -1.26 -5.08 115.22 116.35 2kan n HIS 10 Ca 0.04 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 58.01 2kan n HIS 10 Cb 0.52 0.00 0.06 0.00 -0.12 0.00 0.00 29.99 30.44 2kan n HIS 10 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2kan s ALA 11 N -1.18 4.01 -1.53 1.57 0.00 -1.26 -4.97 121.76 118.40 2kan s ALA 11 Ca 0.00 -1.56 -0.10 0.00 0.00 0.00 0.00 51.96 50.30 2kan s ALA 11 Cb 0.00 -1.94 -0.09 0.00 0.00 0.00 0.00 23.12 21.09 2kan s ALA 11 CO 0.00 -0.90 2.98 0.00 0.00 0.00 0.00 175.76 177.84 2kan n ALA 12 N -2.41 7.50 -2.74 0.00 0.00 -1.26 -4.88 120.51 116.73 2kan n ALA 12 Ca 0.11 -3.47 -0.36 0.00 0.00 0.00 0.00 53.44 49.73 2kan n ALA 12 Cb 0.60 -3.30 -0.09 0.00 0.00 0.00 0.00 19.45 16.66 2kan n ALA 12 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2kan s VAL 13 N 1.98 5.21 -0.59 0.00 1.01 -1.26 -5.05 120.40 121.70 2kan s VAL 13 Ca 0.69 0.12 -0.24 0.00 0.00 0.00 0.00 61.98 62.55 2kan s VAL 13 Cb 0.19 -3.40 0.04 0.00 0.00 0.00 0.00 36.38 33.22 2kan s VAL 13 CO -0.06 0.40 1.00 -0.13 0.00 0.00 0.00 175.10 176.31 2kan s ARG 14 N 0.68 3.30 0.22 2.72 0.52 -1.26 -5.00 118.95 120.13 2kan s ARG 14 Ca 0.07 -0.31 -0.30 0.00 -0.52 0.00 0.00 55.73 54.66 2kan s ARG 14 Cb -0.12 -4.09 -0.09 0.00 0.52 0.00 0.00 34.95 31.16 2kan s ARG 14 CO 0.01 -1.62 1.31 0.15 0.02 0.00 0.00 175.30 175.17 2kan s LYS 15 N 4.22 4.39 0.18 3.54 3.01 -1.26 -4.71 119.74 129.10 2kan s LYS 15 Ca 0.30 2.08 -0.15 0.00 -1.01 0.00 0.00 55.97 57.19 2kan s LYS 15 Cb -0.12 -3.17 -0.07 0.00 -1.01 0.00 0.00 37.83 33.45 2kan s LYS 15 CO 0.18 -0.23 0.60 0.96 0.51 0.00 0.00 175.35 177.37 2kan s ILE 16 N -0.13 4.79 -0.50 2.17 -4.36 0.72 -4.80 121.20 119.09 2kan s ILE 16 Ca 0.55 0.92 -0.21 0.00 -0.26 0.00 0.00 60.65 61.65 2kan s ILE 16 Cb -0.37 -3.75 0.04 0.00 1.25 0.00 0.00 42.46 39.63 2kan s ILE 16 CO 0.41 0.20 0.72 -1.00 0.24 0.00 0.00 174.94 175.51 2kan s HIS 17 N -1.52 2.98 0.06 1.37 3.76 -1.26 -1.64 115.29 119.04 2kan s HIS 17 Ca 0.40 -0.26 -0.08 0.00 -0.15 0.00 0.00 55.06 54.97 2kan s HIS 17 Cb -0.15 -3.65 -0.05 0.00 1.11 0.00 0.00 32.58 29.84 2kan s HIS 17 CO 0.20 -1.08 0.36 0.14 -0.85 0.00 0.00 174.74 173.50 2kan s VAL 18 N 3.07 5.17 -0.39 -0.90 -7.23 -0.24 -0.39 120.40 119.49 2kan s VAL 18 Ca 0.22 0.33 -0.14 0.00 -1.81 0.00 0.00 61.98 60.58 2kan s VAL 18 Cb -0.16 -3.62 0.01 0.00 0.56 0.00 0.00 36.38 33.17 2kan s VAL 18 CO 0.16 0.30 0.28 -0.89 -0.31 0.00 0.00 175.10 174.64 2kan s THR 19 N -1.38 5.19 -0.24 5.32 2.01 0.10 -0.82 115.64 125.82 2kan s THR 19 Ca 0.32 -0.59 -0.18 0.00 0.31 0.00 0.00 61.69 61.54 2kan s THR 19 Cb -0.14 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.50 2kan s THR 19 CO 0.18 -0.24 0.51 -0.69 -0.69 0.00 0.00 174.62 173.68 2kan s VAL 20 N 1.67 5.09 -0.51 3.82 1.01 0.15 0.50 120.40 132.13 2kan s VAL 20 Ca 0.05 0.89 -0.15 0.00 0.00 0.00 0.00 61.98 62.76 2kan s VAL 20 Cb -0.19 -3.82 0.11 0.00 0.00 0.00 0.00 36.38 32.48 2kan s VAL 20 CO 0.10 0.13 0.46 -0.54 0.00 0.00 0.00 175.10 175.24 2kan s LYS 21 N 2.01 2.95 0.18 2.72 -0.14 0.99 -2.02 119.74 126.43 2kan s LYS 21 Ca 0.22 -1.61 0.05 0.00 -1.36 0.00 0.00 55.97 53.27 2kan s LYS 21 Cb -0.15 -4.22 -0.04 0.00 -1.68 0.00 0.00 37.83 31.74 2kan s LYS 21 CO 0.09 -1.23 0.16 -0.06 -0.76 0.00 0.00 175.35 173.55 2kan s PHE 22 N 1.59 3.17 0.58 3.18 0.08 -0.68 -1.01 117.98 124.89 2kan s PHE 22 Ca 0.03 -0.02 0.28 0.00 0.12 0.00 0.00 56.93 57.34 2kan s PHE 22 Cb -0.28 -1.50 1.71 0.00 -0.57 0.00 0.00 43.02 42.38 2kan s PHE 22 CO 0.04 0.52 2.21 -1.00 -0.10 0.00 0.00 175.22 176.88 2kan h PRO 23 N 2.20 0.00 0.54 0.24 0.13 -1.98 -2.73 132.00 130.40 2kan h PRO 23 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 2kan h PRO 23 Cb 1.21 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 2kan h PRO 23 CO 0.63 0.00 -0.26 0.77 -0.23 0.00 0.00 178.00 178.91 2kan h SER 24 N 0.00 -0.62 -5.36 1.44 0.02 -1.98 -3.49 113.55 103.56 2kan h SER 24 Ca 0.02 -0.02 0.17 0.00 -0.84 0.00 0.00 61.79 61.12 2kan h SER 24 Cb 0.12 0.16 -0.06 0.00 0.14 0.00 0.00 62.40 62.76 2kan h SER 24 CO -0.00 -0.22 0.52 -1.59 -1.14 0.00 0.00 176.83 174.40 2kan s LYS 25 N -4.25 1.25 -0.22 3.45 -2.85 -1.03 -5.15 119.74 110.95 2kan s LYS 25 Ca -0.12 -0.74 -0.09 0.00 -1.00 0.00 0.00 55.97 54.02 2kan s LYS 25 Cb 0.01 0.39 -0.04 0.00 -2.06 0.00 0.00 37.83 36.13 2kan s LYS 25 CO 0.39 -0.58 0.10 -1.14 0.10 0.00 0.00 175.35 174.23 2kan s GLN 26 N -2.84 3.96 0.12 1.78 0.74 -1.26 -1.69 119.66 120.46 2kan s GLN 26 Ca 0.16 -0.34 -0.05 0.00 0.05 0.00 0.00 55.36 55.18 2kan s GLN 26 Cb -0.02 -3.36 -0.02 0.00 1.10 0.00 0.00 33.01 30.71 2kan s GLN 26 CO 0.03 0.11 0.15 -0.59 -0.55 0.00 0.00 175.29 174.44 2kan s PHE 27 N 0.85 0.51 -0.01 1.67 -0.71 -0.86 -5.00 117.98 114.44 2kan s PHE 27 Ca 0.05 -0.92 0.03 0.00 -1.04 0.00 0.00 56.93 55.06 2kan s PHE 27 Cb -0.13 -0.24 -0.03 0.00 -1.21 0.00 0.00 43.02 41.41 2kan s PHE 27 CO 0.03 -0.57 -0.09 0.99 -1.34 0.00 0.00 175.22 174.23 2kan s THR 28 N -3.96 3.46 0.04 -4.49 2.01 -1.26 0.30 115.64 111.74 2kan s THR 28 Ca 0.15 -0.77 0.05 0.00 0.31 0.00 0.00 61.69 61.43 2kan s THR 28 Cb 0.06 -2.47 -0.02 0.00 0.01 0.00 0.00 72.50 70.08 2kan s THR 28 CO -0.03 0.45 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.51 2kan s VAL 29 N -0.92 1.15 -0.29 3.82 1.01 -0.00 -4.95 120.40 120.23 2kan s VAL 29 Ca 0.15 -1.05 -0.21 0.00 0.00 0.00 0.00 61.98 60.87 2kan s VAL 29 Cb -0.11 -1.05 -0.01 0.00 0.00 0.00 0.00 36.38 35.21 2kan s VAL 29 CO 0.05 -0.01 0.68 -1.61 0.00 0.00 0.00 175.10 174.22 2kan s GLU 30 N -1.22 3.99 0.06 2.72 2.02 -1.26 -1.08 118.70 123.94 2kan s GLU 30 Ca 0.02 0.48 0.03 0.00 0.02 0.00 0.00 54.97 55.51 2kan s GLU 30 Cb -0.08 -3.70 -0.03 0.00 0.10 0.00 0.00 34.13 30.42 2kan s GLU 30 CO 0.01 -0.56 -0.08 0.14 0.02 0.00 0.00 175.26 174.79 2kan s VAL 31 N 2.69 0.67 0.49 2.63 -7.23 -0.65 -4.97 120.40 114.03 2kan s VAL 31 Ca 0.28 -1.34 -0.20 0.00 -1.81 0.00 0.00 61.98 58.91 2kan s VAL 31 Cb -0.15 -0.95 -0.08 0.00 0.56 0.00 0.00 36.38 35.75 2kan s VAL 31 CO 0.11 -0.49 1.02 -0.62 -0.31 0.00 0.00 175.10 174.81 2kan s ASP 32 N -1.99 6.40 0.42 4.85 -1.08 -1.26 -0.20 116.67 123.82 2kan s ASP 32 Ca -0.03 1.86 0.23 0.00 -0.52 0.00 0.00 52.55 54.09 2kan s ASP 32 Cb -0.06 -2.55 0.62 0.00 -1.46 0.00 0.00 42.92 39.47 2kan s ASP 32 CO -0.00 -0.74 1.70 -0.09 0.52 0.00 0.00 175.17 176.56 2kan h ARG 33 N 1.47 0.00 -0.65 4.34 2.43 -1.94 -2.40 114.38 117.62 2kan h ARG 33 Ca -0.49 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 2kan h ARG 33 Cb 1.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 2kan h ARG 33 CO 0.59 0.18 0.00 0.25 -1.51 0.00 0.00 179.97 179.48 2kan n THR 34 N -3.21 1.59 -2.38 0.20 -2.24 -1.26 -1.30 114.28 105.68 2kan n THR 34 Ca 0.02 -1.06 -0.37 0.00 -2.27 0.00 0.00 64.05 60.37 2kan n THR 34 Cb 0.51 0.13 -0.02 0.00 -2.10 0.00 0.00 70.33 68.85 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 -1.74 3.91 0.50 -0.78 2.56 -0.91 -4.68 118.70 117.57 2kan s GLU 35 Ca 0.47 1.66 -0.13 0.00 0.00 0.00 0.00 54.97 56.97 2kan s GLU 35 Cb 0.30 -2.44 -0.06 0.00 2.00 0.00 0.00 34.13 33.92 2kan s GLU 35 CO 0.24 -0.39 0.92 0.95 -0.56 0.00 0.00 175.26 176.41 2kan s THR 36 N -1.61 4.68 0.32 -1.70 -4.23 -1.26 -0.14 115.64 111.70 2kan s THR 36 Ca 0.61 0.88 0.02 0.00 -1.18 0.00 0.00 61.69 62.02 2kan s THR 36 Cb -0.26 -3.77 0.19 0.00 1.34 0.00 0.00 72.50 70.00 2kan s THR 36 CO 0.31 -0.76 1.90 0.58 -0.54 0.00 0.00 174.62 176.11 2kan h VAL 37 N 0.63 1.20 -0.90 2.29 2.07 -0.54 -0.45 116.25 120.54 2kan h VAL 37 Ca -0.46 -0.64 0.05 0.00 0.82 0.00 0.00 66.70 66.47 2kan h VAL 37 Cb 1.19 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 2kan h VAL 37 CO 0.62 0.25 0.57 -1.28 0.02 0.00 0.00 177.57 177.75 2kan h SER 38 N 0.72 0.93 1.79 0.57 0.87 -1.36 -0.55 113.55 116.52 2kan h SER 38 Ca 0.17 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 2kan h SER 38 Cb 0.19 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 2kan h SER 38 CO -0.01 0.61 0.00 0.28 -0.53 0.00 0.00 176.83 177.18 2kan h SER 39 N 1.07 0.00 0.09 6.23 0.02 -1.56 -1.31 113.55 118.09 2kan h SER 39 Ca 0.38 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.33 2kan h SER 39 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2kan h SER 39 CO -0.15 0.00 -0.04 0.25 -1.14 0.00 0.00 176.83 175.75 2kan h LEU 40 N 0.00 -0.10 -1.22 5.07 5.85 0.03 -2.76 115.31 122.18 2kan h LEU 40 Ca 0.00 -0.49 -0.06 0.00 0.84 0.00 0.00 57.88 58.16 2kan h LEU 40 Cb 0.90 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 2kan h LEU 40 CO 0.00 0.50 -0.15 0.11 -0.34 0.00 0.00 178.44 178.56 2kan h LYS 41 N -0.77 0.35 -0.22 1.25 1.57 -1.13 -1.91 116.57 115.71 2kan h LYS 41 Ca -0.01 -0.10 0.05 0.00 -1.87 0.00 0.00 60.65 58.72 2kan h LYS 41 Cb 0.58 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.81 2kan h LYS 41 CO 0.02 0.50 -0.09 0.22 -0.57 0.00 0.00 179.45 179.54 2kan h ASP 42 N 0.33 -0.30 -0.25 0.86 3.58 -1.28 0.19 116.42 119.54 2kan h ASP 42 Ca 0.06 0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.58 2kan h ASP 42 Cb 0.47 0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.68 2kan h ASP 42 CO 0.03 -0.11 0.13 0.11 -2.88 0.00 0.00 179.24 176.52 2kan h LYS 43 N -0.05 0.35 -0.95 0.28 1.57 -1.15 -2.43 116.57 114.19 2kan h LYS 43 Ca 0.11 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2kan h LYS 43 Cb 0.22 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.42 2kan h LYS 43 CO -0.26 0.33 0.63 0.82 -0.57 0.00 0.00 179.45 180.40 2kan h ILE 44 N 0.29 1.25 -0.02 1.86 2.04 -1.00 -1.46 117.51 120.45 2kan h ILE 44 Ca 0.09 -0.45 -0.07 0.00 1.00 0.00 0.00 64.86 65.43 2kan h ILE 44 Cb 0.08 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.00 2kan h ILE 44 CO -0.01 0.24 -0.30 -0.74 0.00 0.00 0.00 178.15 177.33 2kan h HIS 45 N 1.29 0.05 -0.12 1.37 2.76 -0.42 0.56 115.15 120.64 2kan h HIS 45 Ca 0.35 -0.01 -0.16 0.00 -2.20 0.00 0.00 60.37 58.35 2kan h HIS 45 Cb -0.14 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 28.80 2kan h HIS 45 CO 0.00 0.34 -0.61 0.82 -1.30 0.00 0.00 177.93 177.18 2kan h ILE 46 N 0.04 1.36 0.00 6.26 2.04 -0.81 -3.35 117.51 123.05 2kan h ILE 46 Ca 0.00 -1.94 -0.01 0.00 1.00 0.00 0.00 64.86 63.92 2kan h ILE 46 Cb 0.55 1.93 -0.00 0.00 -0.74 0.00 0.00 36.82 38.57 2kan h ILE 46 CO 0.04 0.59 -0.09 0.58 0.00 0.00 0.00 178.15 179.26 2kan h VAL 47 N 0.30 0.67 -3.91 1.67 2.07 -0.68 -3.48 116.25 112.89 2kan h VAL 47 Ca -0.01 -1.52 -0.22 0.00 0.82 0.00 0.00 66.70 65.78 2kan h VAL 47 Cb 1.14 1.28 0.05 0.00 -1.52 0.00 0.00 31.29 32.25 2kan h VAL 47 CO 0.10 0.23 0.10 -0.62 0.02 0.00 0.00 177.57 177.40 2kan n GLU 48 N -4.69 0.01 -0.01 1.57 -0.58 0.19 -5.03 120.64 112.09 2kan n GLU 48 Ca -0.05 -1.20 0.09 0.00 -0.42 0.00 0.00 57.16 55.58 2kan n GLU 48 Cb 0.22 -0.41 -0.15 0.00 -0.57 0.00 0.00 31.44 30.52 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 -3.09 0.57 -4.71 1.62 3.02 -1.26 -4.66 115.26 106.74 2kan n ASN 49 Ca 0.08 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.21 2kan n ASN 49 Cb 0.28 1.87 -0.03 0.00 -0.61 0.00 0.00 39.78 41.29 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 -3.33 2.43 0.54 3.41 2.01 -1.26 -4.96 115.64 114.47 2kan s THR 50 Ca -0.07 0.23 -0.21 0.00 0.31 0.00 0.00 61.69 61.95 2kan s THR 50 Cb 0.12 -3.15 -0.06 0.00 0.01 0.00 0.00 72.50 69.42 2kan s THR 50 CO 0.81 0.01 1.19 -2.65 -0.69 0.00 0.00 174.62 173.29 2kan n PRO 51 N 4.41 1.43 0.12 4.92 -0.02 -1.26 -4.57 135.00 140.02 2kan n PRO 51 Ca 0.15 0.53 0.03 0.00 -2.02 0.00 0.00 63.50 62.20 2kan n PRO 51 Cb 0.37 -2.37 0.43 0.00 -0.02 0.00 0.00 33.50 31.91 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 1.22 1.14 0.00 4.25 2.04 -1.90 -0.87 117.51 123.38 2kan h ILE 52 Ca -0.49 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 64.81 2kan h ILE 52 Cb 1.33 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 38.45 2kan h ILE 52 CO 0.55 0.18 0.00 0.11 0.00 0.00 0.00 178.15 179.00 2kan h LYS 53 N 0.26 0.00 0.00 2.37 1.57 -1.96 -3.31 116.57 115.50 2kan h LYS 53 Ca 0.06 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.48 2kan h LYS 53 Cb 0.24 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.49 2kan h LYS 53 CO 0.01 0.00 -2.27 -2.13 -0.57 0.00 0.00 179.45 174.49 2kan n ARG 54 N -2.42 0.68 -3.62 3.15 0.63 -0.39 -4.59 116.66 110.10 2kan n ARG 54 Ca 0.04 0.07 -0.36 0.00 -0.92 0.00 0.00 57.85 56.67 2kan n ARG 54 Cb 0.37 -1.57 -0.07 0.00 0.45 0.00 0.00 32.46 31.64 2kan n ARG 54 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2kan s MET 55 N -2.51 4.06 0.00 -0.14 0.23 -0.85 0.20 119.30 120.28 2kan s MET 55 Ca -0.12 0.06 0.05 0.00 -1.03 0.00 0.00 55.69 54.65 2kan s MET 55 Cb 0.07 -3.36 -0.03 0.00 -1.53 0.00 0.00 34.83 29.98 2kan s MET 55 CO 0.81 0.40 -0.14 -1.14 -2.03 0.00 0.00 175.02 172.92 2kan s GLN 56 N -0.02 2.34 -0.20 3.16 2.00 0.04 -4.90 119.66 122.09 2kan s GLN 56 Ca 0.16 -0.82 -0.10 0.00 -2.00 0.00 0.00 55.36 52.60 2kan s GLN 56 Cb -0.13 -2.33 -0.05 0.00 0.80 0.00 0.00 33.01 31.30 2kan s GLN 56 CO 0.04 0.58 0.14 -0.51 -0.50 0.00 0.00 175.29 175.05 2kan s LEU 57 N -1.18 4.22 -0.13 3.68 1.43 -1.26 -1.79 118.68 123.64 2kan s LEU 57 Ca 0.14 0.25 0.01 0.00 -1.03 0.00 0.00 54.13 53.51 2kan s LEU 57 Cb -0.11 -2.11 0.02 0.00 0.03 0.00 0.00 46.19 44.02 2kan s LEU 57 CO 0.04 0.18 -0.16 -0.31 0.23 0.00 0.00 176.35 176.33 2kan s TYR 58 N 0.34 2.22 -0.28 0.29 1.51 0.38 -0.19 117.35 121.63 2kan s TYR 58 Ca 0.09 -1.15 0.00 0.00 -1.01 0.00 0.00 57.07 55.00 2kan s TYR 58 Cb -0.11 -1.59 0.05 0.00 -0.11 0.00 0.00 41.96 40.20 2kan s TYR 58 CO -0.01 -0.59 -0.05 -0.47 -1.11 0.00 0.00 175.55 173.31 2kan s TYR 59 N 1.15 3.23 -1.81 2.71 5.04 0.63 -0.68 117.35 127.62 2kan s TYR 59 Ca -0.02 -2.01 0.00 0.00 -2.44 0.00 0.00 57.07 52.60 2kan s TYR 59 Cb -0.14 -2.03 0.00 0.00 0.35 0.00 0.00 41.96 40.14 2kan s TYR 59 CO -0.06 -0.83 0.00 0.43 -1.34 0.00 0.00 175.55 173.76 2kan n SER 60 N 4.55 -5.55 0.00 4.32 7.64 -1.26 -0.55 113.62 122.77 2kan n SER 60 Ca -0.14 0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2kan n SER 60 Cb 0.43 -4.65 0.00 0.00 -1.01 0.00 0.00 64.21 58.99 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 -0.87 2.04 3.67 0.23 0.00 -1.26 -5.05 105.19 103.94 2kan n GLY 61 Ca -0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.52 4.86 -0.29 -0.61 1.01 0.29 -5.01 121.20 118.93 2kan s ILE 62 Ca 0.00 1.69 -0.29 0.00 0.00 0.00 0.00 60.65 62.05 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 0.00 1.26 -0.70 0.00 0.00 0.00 174.94 175.50 2kan s GLU 63 N 2.26 3.97 -1.29 2.79 2.12 -1.26 -0.27 118.70 127.02 2kan s GLU 63 Ca 0.39 1.26 -0.17 0.00 0.36 0.00 0.00 54.97 56.81 2kan s GLU 63 Cb -0.16 -3.85 0.09 0.00 0.26 0.00 0.00 34.13 30.47 2kan s GLU 63 CO 0.12 -1.05 1.71 1.28 -0.54 0.00 0.00 175.26 176.78 2kan n LEU 64 N 7.41 5.12 0.01 2.70 4.77 0.73 -4.68 117.00 133.06 2kan n LEU 64 Ca 0.14 -4.05 -0.12 0.00 -0.03 0.00 0.00 56.01 51.96 2kan n LEU 64 Cb 0.46 -1.72 -0.14 0.00 -2.33 0.00 0.00 43.42 39.70 2kan n LEU 64 CO 0.62 0.33 -0.42 0.00 -1.33 0.00 0.00 177.39 176.59 2kan h ALA 65 N 7.38 0.56 -1.53 -1.18 0.00 -1.92 -3.41 119.26 119.16 2kan h ALA 65 Ca 0.43 -1.30 -0.50 0.00 0.00 0.00 0.00 54.91 53.54 2kan h ALA 65 Cb 0.85 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 2kan h ALA 65 CO 1.44 1.41 1.39 -0.51 0.00 0.00 0.00 179.25 182.98 2kan s ASP 66 N -6.49 5.20 0.21 0.00 1.11 -1.26 -4.81 116.67 110.62 2kan s ASP 66 Ca -0.07 0.51 0.01 0.00 0.18 0.00 0.00 52.55 53.18 2kan s ASP 66 Cb 0.08 -2.53 0.16 0.00 1.07 0.00 0.00 42.92 41.70 2kan s ASP 66 CO 0.82 -2.40 1.50 -0.78 1.18 0.00 0.00 175.17 175.50 2kan h ASP 67 N 15.45 0.38 0.51 0.27 3.58 -1.95 -2.99 116.42 131.66 2kan h ASP 67 Ca -0.26 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 56.96 2kan h ASP 67 Cb 1.18 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.12 2kan h ASP 67 CO 1.20 0.93 -0.02 0.00 -2.88 0.00 0.00 179.24 178.47 2kan n TYR 68 N -3.86 0.00 -2.59 0.28 4.11 -1.26 -1.08 117.16 112.75 2kan n TYR 68 Ca -0.03 0.00 -0.27 0.00 -0.00 0.00 0.00 57.90 57.60 2kan n TYR 68 Cb 0.65 -0.25 0.00 0.00 -0.00 0.00 0.00 39.34 39.74 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 -2.52 3.49 0.38 -3.48 0.52 -1.13 -4.82 118.95 111.38 2kan s ARG 69 Ca 0.30 0.19 -0.02 0.00 -0.52 0.00 0.00 55.73 55.68 2kan s ARG 69 Cb 0.20 -2.36 -0.04 0.00 0.52 0.00 0.00 34.95 33.28 2kan s ARG 69 CO 0.46 -0.26 0.62 -0.80 0.02 0.00 0.00 175.30 175.34 2kan s ASN 70 N -4.13 6.32 0.28 0.23 -0.87 -1.26 -0.27 114.94 115.24 2kan s ASN 70 Ca 0.48 0.65 0.05 0.00 -1.57 0.00 0.00 52.86 52.47 2kan s ASN 70 Cb -0.10 -2.12 0.40 0.00 -0.02 0.00 0.00 41.25 39.41 2kan s ASN 70 CO 0.45 -0.36 1.67 -0.07 -2.57 0.00 0.00 177.10 176.22 2kan h LEU 71 N 0.79 0.31 -1.85 0.60 3.38 -0.65 -2.67 115.31 115.22 2kan h LEU 71 Ca -0.49 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.32 2kan h LEU 71 Cb 1.21 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 2kan h LEU 71 CO 0.62 0.70 -0.13 -0.55 0.09 0.00 0.00 178.44 179.18 2kan h ASN 72 N 0.25 0.00 -0.79 -0.43 -1.07 -1.45 -1.59 115.58 110.50 2kan h ASN 72 Ca 0.02 0.00 0.11 0.00 0.07 0.00 0.00 56.30 56.50 2kan h ASN 72 Cb 0.85 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 37.05 2kan h ASN 72 CO 0.07 0.13 0.52 -0.33 0.07 0.00 0.00 177.43 177.88 2kan h GLU 73 N 0.00 0.63 -0.21 4.14 4.39 -1.78 -0.35 114.58 121.40 2kan h GLU 73 Ca -0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2kan h GLU 73 Cb 0.25 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2kan h GLU 73 CO 0.02 0.42 0.00 0.66 -1.16 0.00 0.00 179.01 178.94 2kan n TYR 74 N -4.51 0.27 -1.13 4.33 4.01 -0.63 -4.91 117.16 114.59 2kan n TYR 74 Ca 0.14 -0.13 -0.04 0.00 -0.16 0.00 0.00 57.90 57.70 2kan n TYR 74 Cb 0.38 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.39 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 1.27 0.72 3.75 2.72 0.00 -0.14 -4.98 105.19 108.53 2kan n GLY 75 Ca 0.17 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.10 2.81 0.18 -0.61 1.01 -1.02 -5.00 121.20 116.47 2kan s ILE 76 Ca 0.00 0.70 0.02 0.00 0.00 0.00 0.00 60.65 61.36 2kan s ILE 76 Cb 0.00 -3.44 -0.01 0.00 0.01 0.00 0.00 42.46 39.02 2kan s ILE 76 CO 0.00 0.12 0.06 1.07 0.00 0.00 0.00 174.94 176.19 2kan n THR 77 N 2.14 0.00 -2.02 2.92 5.66 -1.26 -4.64 114.28 117.09 2kan n THR 77 Ca 0.05 -1.04 -0.34 0.00 -3.05 0.00 0.00 64.05 59.67 2kan n THR 77 Cb 0.41 0.36 0.03 0.00 -1.55 0.00 0.00 70.33 69.58 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 -2.69 3.07 -0.52 1.09 2.12 -1.26 -3.26 118.70 117.24 2kan s GLU 78 Ca 0.08 1.55 0.00 0.00 0.36 0.00 0.00 54.97 56.96 2kan s GLU 78 Cb 0.00 -1.97 0.00 0.00 0.26 0.00 0.00 34.13 32.42 2kan s GLU 78 CO 0.06 -1.07 0.00 0.34 -0.54 0.00 0.00 175.26 174.05 2kan n PHE 79 N -1.81 0.00 -2.54 5.30 7.35 0.48 -4.96 117.46 121.28 2kan n PHE 79 Ca 0.11 0.00 -0.39 0.00 -0.76 0.00 0.00 57.45 56.41 2kan n PHE 79 Cb 0.51 -1.36 -0.05 0.00 0.35 0.00 0.00 39.48 38.93 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 -2.50 7.18 -0.40 -2.13 1.04 -1.20 -4.78 113.70 110.90 2kan s SER 80 Ca 0.00 2.14 -0.13 0.00 0.48 0.00 0.00 55.95 58.44 2kan s SER 80 Cb 0.00 -2.61 0.03 0.00 0.10 0.00 0.00 66.02 63.54 2kan s SER 80 CO 0.00 -0.20 0.27 -0.70 0.98 0.00 0.00 173.24 173.60 2kan s GLU 81 N -1.73 2.90 -0.37 4.02 2.12 -1.26 0.03 118.70 124.42 2kan s GLU 81 Ca 0.48 -1.09 -0.19 0.00 0.36 0.00 0.00 54.97 54.53 2kan s GLU 81 Cb -0.28 -3.90 0.00 0.00 0.26 0.00 0.00 34.13 30.21 2kan s GLU 81 CO 0.35 -0.77 0.56 0.42 -0.54 0.00 0.00 175.26 175.28 2kan s ILE 82 N 1.62 4.96 -0.26 -3.70 -1.09 0.18 -4.51 121.20 118.41 2kan s ILE 82 Ca 0.04 0.33 -0.22 0.00 -2.23 0.00 0.00 60.65 58.57 2kan s ILE 82 Cb -0.20 -4.03 -0.01 0.00 -1.58 0.00 0.00 42.46 36.64 2kan s ILE 82 CO 0.08 -0.31 0.70 -0.69 -1.23 0.00 0.00 174.94 173.50 2kan s VAL 83 N 2.52 4.93 -0.41 2.92 1.01 0.14 -0.01 120.40 131.50 2kan s VAL 83 Ca 0.20 1.26 -0.13 0.00 0.00 0.00 0.00 61.98 63.31 2kan s VAL 83 Cb -0.15 -4.00 0.04 0.00 0.00 0.00 0.00 36.38 32.26 2kan s VAL 83 CO 0.14 -0.03 0.28 -0.69 0.00 0.00 0.00 175.10 174.81 2kan s VAL 84 N 2.64 4.92 -0.13 2.92 1.01 -0.18 -0.47 120.40 131.10 2kan s VAL 84 Ca 0.29 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 61.28 2kan s VAL 84 Cb -0.15 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 2kan s VAL 84 CO 0.08 -0.35 0.27 -0.36 0.00 0.00 0.00 175.10 174.75 2kan s PHE 85 N 1.61 3.52 -0.03 5.22 0.08 -0.74 -4.59 117.98 123.04 2kan s PHE 85 Ca 0.04 0.62 -0.11 0.00 0.12 0.00 0.00 56.93 57.60 2kan s PHE 85 Cb -0.20 -2.25 -0.05 0.00 -0.57 0.00 0.00 43.02 39.95 2kan s PHE 85 CO 0.08 0.39 0.30 -0.51 -0.10 0.00 0.00 175.22 175.38 2kan s LEU 86 N -0.02 4.42 -0.17 -0.37 1.43 -1.26 -0.78 118.68 121.93 2kan s LEU 86 Ca 0.16 0.74 -0.07 0.00 -1.03 0.00 0.00 54.13 53.93 2kan s LEU 86 Cb -0.13 -2.46 0.08 0.00 0.03 0.00 0.00 46.19 43.70 2kan s LEU 86 CO 0.05 0.33 0.38 -1.59 0.23 0.00 0.00 176.35 175.75 2kan s LYS 87 N -1.22 0.31 -0.79 1.70 0.00 0.13 -4.97 119.74 114.89 2kan s LYS 87 Ca 0.22 0.90 -0.24 0.00 0.00 0.00 0.00 55.97 56.85 2kan s LYS 87 Cb -0.14 0.15 0.06 0.00 0.00 0.00 0.00 37.83 37.90 2kan s LYS 87 CO 0.11 -0.23 1.19 -1.12 0.00 0.00 0.00 175.35 175.31 2kan s SER 88 N 2.17 6.29 0.37 0.03 0.01 -1.26 -4.34 113.70 116.97 2kan s SER 88 Ca -0.04 -1.01 -0.28 0.00 1.31 0.00 0.00 55.95 55.93 2kan s SER 88 Cb -0.11 -2.50 -0.11 0.00 0.21 0.00 0.00 66.02 63.52 2kan s SER 88 CO -0.12 -1.56 1.44 0.27 0.41 0.00 0.00 173.24 173.68 2kan s ILE 89 N 4.69 2.22 -0.82 1.44 -5.25 -1.26 -4.88 121.20 117.34 2kan s ILE 89 Ca 0.33 0.22 -0.25 0.00 -0.99 0.00 0.00 60.65 59.96 2kan s ILE 89 Cb -0.09 -3.14 0.00 0.00 2.95 0.00 0.00 42.46 42.18 2kan s ILE 89 CO 0.06 0.05 1.63 0.21 -1.79 0.00 0.00 174.94 175.10 2kan s ASN 90 N -0.26 5.78 -0.41 4.36 2.47 -1.26 -4.93 114.94 120.68 2kan s ASN 90 Ca 0.52 -0.58 -0.26 0.00 0.42 0.00 0.00 52.86 52.97 2kan s ASN 90 Cb -0.45 -2.56 0.02 0.00 -1.45 0.00 0.00 41.25 36.82 2kan s ASN 90 CO 0.60 -2.11 0.94 -0.60 -3.72 0.00 0.00 177.10 172.21 2kan s ARG 91 N 6.18 3.72 0.15 0.43 3.00 -1.26 -5.02 118.95 126.15 2kan s ARG 91 Ca 0.54 0.42 0.08 0.00 -1.00 0.00 0.00 55.73 55.78 2kan s ARG 91 Cb -0.07 -3.86 -0.04 0.00 0.00 0.00 0.00 34.95 30.99 2kan s ARG 91 CO 0.06 -1.08 -0.17 0.00 0.00 0.00 0.00 175.30 174.11 2kan s ALA 92 N 3.65 1.86 -1.50 6.12 0.00 -1.26 -5.04 121.76 125.59 2kan s ALA 92 Ca 0.38 -1.44 0.15 0.00 0.00 0.00 0.00 51.96 51.05 2kan s ALA 92 Cb -0.11 -0.15 0.33 0.00 0.00 0.00 0.00 23.12 23.19 2kan s ALA 92 CO 0.22 0.19 1.24 0.36 0.00 0.00 0.00 175.76 177.77 2kan n LYS 93 N 0.33 2.29 0.00 0.00 2.85 -1.26 -5.31 118.16 117.06 2kan n LYS 93 Ca -0.14 -2.00 0.00 0.00 -1.05 0.00 0.00 58.31 55.13 2kan n LYS 93 Cb 0.57 -1.35 0.00 0.00 -0.65 0.00 0.00 35.03 33.60 2kan n LYS 93 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88