#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 2.07 0.53 3.03 0.00 -1.26 -4.91 105.19 104.65 2kan n GLY 2 Ca 0.00 -1.83 0.06 0.00 0.00 0.00 0.00 46.02 44.25 2kan n GLY 2 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kan n HIS 3 N 1.88 0.00 -2.10 1.61 -0.00 -1.26 -5.04 115.22 110.31 2kan n HIS 3 Ca 0.00 -0.94 -0.43 0.00 -0.00 0.00 0.00 57.72 56.35 2kan n HIS 3 Cb 0.00 -0.17 -0.03 0.00 -0.00 0.00 0.00 29.99 29.80 2kan n HIS 3 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kan s HIS 4 N -2.13 2.15 -1.13 4.41 3.76 -1.26 -4.90 115.29 116.18 2kan s HIS 4 Ca 0.29 0.42 -0.21 0.00 -0.15 0.00 0.00 55.06 55.41 2kan s HIS 4 Cb 0.28 -3.86 0.02 0.00 1.11 0.00 0.00 32.58 30.13 2kan s HIS 4 CO -0.04 -3.27 1.70 -3.38 -0.85 0.00 0.00 174.74 168.90 2kan s HIS 5 N 4.27 2.42 -0.26 1.40 -3.43 -1.26 -4.82 115.29 113.61 2kan s HIS 5 Ca 0.70 -0.70 -0.02 0.00 -0.80 0.00 0.00 55.06 54.24 2kan s HIS 5 Cb -0.29 -4.51 0.12 0.00 -1.43 0.00 0.00 32.58 26.47 2kan s HIS 5 CO 0.27 -1.74 0.27 -1.01 -2.00 0.00 0.00 174.74 170.53 2kan s HIS 6 N 6.44 -0.40 -0.32 0.38 3.76 -1.26 -5.11 115.29 118.78 2kan s HIS 6 Ca 0.56 0.02 0.03 0.00 -0.15 0.00 0.00 55.06 55.52 2kan s HIS 6 Cb 0.00 -0.40 0.09 0.00 1.11 0.00 0.00 32.58 33.38 2kan s HIS 6 CO 0.02 -0.80 0.03 -3.38 -0.85 0.00 0.00 174.74 169.76 2kan s HIS 7 N 2.36 3.27 -0.07 1.40 -0.00 -1.26 -5.08 115.29 115.92 2kan s HIS 7 Ca 0.09 -2.63 -0.03 0.00 -0.00 0.00 0.00 55.06 52.49 2kan s HIS 7 Cb -0.15 -2.52 0.04 0.00 -0.00 0.00 0.00 32.58 29.95 2kan s HIS 7 CO -0.25 -0.92 0.15 -3.38 -0.00 0.00 0.00 174.74 170.35 2kan s HIS 8 N 1.08 -0.18 -0.05 0.38 -3.43 -1.26 -5.15 115.29 106.69 2kan s HIS 8 Ca 0.07 0.50 -0.00 0.00 -0.80 0.00 0.00 55.06 54.83 2kan s HIS 8 Cb -0.19 -0.07 0.03 0.00 -1.43 0.00 0.00 32.58 30.92 2kan s HIS 8 CO -0.10 -0.17 -0.01 -1.12 -2.00 0.00 0.00 174.74 171.34 2kan s SER 9 N 1.11 0.94 0.33 7.38 0.01 -1.26 -4.98 113.70 117.23 2kan s SER 9 Ca -0.09 -0.06 0.20 0.00 1.31 0.00 0.00 55.95 57.32 2kan s SER 9 Cb -0.11 -0.33 0.17 0.00 0.21 0.00 0.00 66.02 65.96 2kan s SER 9 CO -0.06 -0.13 1.41 -0.74 0.41 0.00 0.00 173.24 174.14 2kan h HIS 10 N 7.63 0.00 -3.41 2.43 -0.00 -2.04 -3.44 115.15 116.33 2kan h HIS 10 Ca -0.32 0.00 -0.55 0.00 -0.00 0.00 0.00 60.37 59.50 2kan h HIS 10 Cb 1.13 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 28.50 2kan h HIS 10 CO 0.49 0.18 0.15 0.00 -0.00 0.00 0.00 177.93 178.75 2kan s ALA 11 N -3.14 3.36 -0.35 5.26 0.00 -1.26 -5.03 121.76 120.60 2kan s ALA 11 Ca 0.04 0.25 -0.24 0.00 0.00 0.00 0.00 51.96 52.02 2kan s ALA 11 Cb 0.07 -2.99 0.01 0.00 0.00 0.00 0.00 23.12 20.21 2kan s ALA 11 CO 0.72 0.04 0.81 0.00 0.00 0.00 0.00 175.76 177.33 2kan s ALA 12 N 0.10 3.45 -0.15 0.00 0.00 -1.26 -5.01 121.76 118.89 2kan s ALA 12 Ca 0.38 -0.55 -0.16 0.00 0.00 0.00 0.00 51.96 51.64 2kan s ALA 12 Cb -0.20 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.58 2kan s ALA 12 CO 0.22 -1.43 0.43 0.54 0.00 0.00 0.00 175.76 175.52 2kan s VAL 13 N 3.14 0.00 -0.25 0.00 0.11 -1.26 -5.14 120.40 117.00 2kan s VAL 13 Ca 0.33 -0.04 -0.10 0.00 -2.93 0.00 0.00 61.98 59.24 2kan s VAL 13 Cb -0.13 -0.62 -0.05 0.00 -1.53 0.00 0.00 36.38 34.05 2kan s VAL 13 CO 0.16 -0.02 0.15 -0.13 -3.33 0.00 0.00 175.10 171.92 2kan s ARG 14 N 0.06 3.97 0.29 1.54 0.52 -1.26 -5.07 118.95 119.00 2kan s ARG 14 Ca -0.01 -0.32 -0.29 0.00 -0.52 0.00 0.00 55.73 54.58 2kan s ARG 14 Cb -0.03 -3.51 -0.10 0.00 0.52 0.00 0.00 34.95 31.83 2kan s ARG 14 CO 0.01 -0.02 1.17 0.15 0.02 0.00 0.00 175.30 176.63 2kan s LYS 15 N 1.25 4.55 0.03 3.54 3.01 -1.26 -4.46 119.74 126.40 2kan s LYS 15 Ca 0.07 1.94 -0.06 0.00 -1.01 0.00 0.00 55.97 56.91 2kan s LYS 15 Cb -0.14 -3.15 -0.05 0.00 -1.01 0.00 0.00 37.83 33.48 2kan s LYS 15 CO 0.06 0.08 0.28 0.96 0.51 0.00 0.00 175.35 177.23 2kan s ILE 16 N -1.12 5.29 -0.51 2.17 -4.36 0.12 -4.85 121.20 117.93 2kan s ILE 16 Ca 0.46 0.09 -0.16 0.00 -0.26 0.00 0.00 60.65 60.78 2kan s ILE 16 Cb -0.34 -3.58 0.10 0.00 1.25 0.00 0.00 42.46 39.88 2kan s ILE 16 CO 0.45 0.30 0.49 -1.00 0.24 0.00 0.00 174.94 175.41 2kan s HIS 17 N -1.37 3.20 0.02 1.37 3.76 -1.26 -1.54 115.29 119.48 2kan s HIS 17 Ca 0.30 -1.04 -0.23 0.00 -0.15 0.00 0.00 55.06 53.95 2kan s HIS 17 Cb -0.13 -3.53 -0.05 0.00 1.11 0.00 0.00 32.58 29.97 2kan s HIS 17 CO 0.18 -0.96 0.68 0.14 -0.85 0.00 0.00 174.74 173.94 2kan s VAL 18 N 1.82 4.81 -0.44 -0.90 -7.23 -0.52 -2.06 120.40 115.88 2kan s VAL 18 Ca 0.05 1.44 -0.21 0.00 -1.81 0.00 0.00 61.98 61.45 2kan s VAL 18 Cb -0.26 -4.03 0.02 0.00 0.56 0.00 0.00 36.38 32.68 2kan s VAL 18 CO 0.06 0.39 0.68 -0.89 -0.31 0.00 0.00 175.10 175.03 2kan s THR 19 N -0.14 4.78 -0.40 5.32 2.01 -0.04 -1.41 115.64 125.76 2kan s THR 19 Ca 0.35 0.20 -0.20 0.00 0.31 0.00 0.00 61.69 62.35 2kan s THR 19 Cb -0.19 -4.24 0.01 0.00 0.01 0.00 0.00 72.50 68.09 2kan s THR 19 CO 0.20 -0.63 0.59 -0.69 -0.69 0.00 0.00 174.62 173.39 2kan s VAL 20 N 2.96 4.91 -0.44 3.82 1.01 0.78 0.46 120.40 133.90 2kan s VAL 20 Ca 0.25 0.20 -0.17 0.00 0.00 0.00 0.00 61.98 62.26 2kan s VAL 20 Cb -0.14 -4.10 0.03 0.00 0.00 0.00 0.00 36.38 32.17 2kan s VAL 20 CO 0.20 -0.43 0.42 -0.54 0.00 0.00 0.00 175.10 174.74 2kan s LYS 21 N 2.62 3.05 0.14 2.72 1.02 0.15 -2.05 119.74 127.39 2kan s LYS 21 Ca 0.21 -0.93 0.03 0.00 0.02 0.00 0.00 55.97 55.29 2kan s LYS 21 Cb -0.15 -4.01 -0.04 0.00 -0.52 0.00 0.00 37.83 33.12 2kan s LYS 21 CO 0.16 -0.89 0.24 -0.06 -0.92 0.00 0.00 175.35 173.88 2kan s PHE 22 N 1.99 3.40 -0.26 3.18 0.40 0.49 -0.72 117.98 126.46 2kan s PHE 22 Ca 0.09 0.09 0.23 0.00 -0.60 0.00 0.00 56.93 56.75 2kan s PHE 22 Cb -0.19 -1.64 1.15 0.00 0.51 0.00 0.00 43.02 42.86 2kan s PHE 22 CO 0.11 0.52 1.70 -1.35 0.70 0.00 0.00 175.22 176.91 2kan h PRO 23 N 2.31 0.00 0.00 0.24 0.11 -1.98 -2.85 132.00 129.83 2kan h PRO 23 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2kan h PRO 23 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2kan h PRO 23 CO 0.68 0.00 -0.29 0.43 -0.21 0.00 0.00 178.00 178.61 2kan n SER 24 N -2.29 0.69 -3.57 -2.05 7.64 -1.26 -5.08 113.62 107.69 2kan n SER 24 Ca -0.00 -0.50 -0.04 0.00 1.01 0.00 0.00 58.87 59.33 2kan n SER 24 Cb 0.10 1.02 -0.00 0.00 -1.01 0.00 0.00 64.21 64.32 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 -1.43 1.39 -0.14 1.43 -2.85 -1.08 -5.17 119.74 111.90 2kan s LYS 25 Ca 0.01 -0.82 -0.06 0.00 -1.00 0.00 0.00 55.97 54.09 2kan s LYS 25 Cb 0.02 0.44 0.06 0.00 -2.06 0.00 0.00 37.83 36.29 2kan s LYS 25 CO 0.14 -0.64 0.31 -1.14 0.10 0.00 0.00 175.35 174.11 2kan s GLN 26 N -2.94 0.25 0.28 1.78 0.74 -1.26 -0.38 119.66 118.13 2kan s GLN 26 Ca 0.15 0.70 0.02 0.00 0.05 0.00 0.00 55.36 56.28 2kan s GLN 26 Cb -0.02 -0.03 -0.03 0.00 1.10 0.00 0.00 33.01 34.02 2kan s GLN 26 CO 0.04 -0.20 0.24 -0.59 -0.55 0.00 0.00 175.29 174.24 2kan s PHE 27 N 1.70 1.41 0.03 1.67 -0.12 -0.87 -5.00 117.98 116.80 2kan s PHE 27 Ca -0.06 -1.49 0.08 0.00 -0.05 0.00 0.00 56.93 55.41 2kan s PHE 27 Cb -0.10 -0.57 -0.03 0.00 -0.63 0.00 0.00 43.02 41.69 2kan s PHE 27 CO -0.10 -0.81 -0.23 0.99 -0.05 0.00 0.00 175.22 175.02 2kan s THR 28 N -3.71 2.40 -0.04 -4.49 2.01 -1.26 -0.16 115.64 110.39 2kan s THR 28 Ca 0.39 -1.23 0.05 0.00 0.31 0.00 0.00 61.69 61.20 2kan s THR 28 Cb 0.04 -1.94 -0.01 0.00 0.01 0.00 0.00 72.50 70.60 2kan s THR 28 CO 0.20 0.41 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.67 2kan s VAL 29 N -0.81 1.47 -0.37 3.82 1.01 -0.50 -4.96 120.40 120.07 2kan s VAL 29 Ca 0.12 -0.75 -0.19 0.00 0.00 0.00 0.00 61.98 61.16 2kan s VAL 29 Cb -0.10 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 35.03 2kan s VAL 29 CO 0.02 0.42 0.55 -1.61 0.00 0.00 0.00 175.10 174.48 2kan s GLU 30 N -0.07 3.53 0.06 2.72 2.02 -1.26 -1.44 118.70 124.26 2kan s GLU 30 Ca -0.02 -0.22 0.05 0.00 0.02 0.00 0.00 54.97 54.80 2kan s GLU 30 Cb -0.11 -3.85 -0.03 0.00 0.10 0.00 0.00 34.13 30.25 2kan s GLU 30 CO 0.02 -0.73 -0.13 0.14 0.02 0.00 0.00 175.26 174.57 2kan s VAL 31 N 2.49 1.01 0.81 2.63 -7.23 -0.59 -4.97 120.40 114.55 2kan s VAL 31 Ca 0.20 -1.16 -0.11 0.00 -1.81 0.00 0.00 61.98 59.10 2kan s VAL 31 Cb -0.15 -0.96 0.08 0.00 0.56 0.00 0.00 36.38 35.90 2kan s VAL 31 CO 0.14 -0.18 1.10 -0.62 -0.31 0.00 0.00 175.10 175.23 2kan s ASP 32 N -1.50 4.14 0.34 4.85 2.15 -1.26 0.14 116.67 125.53 2kan s ASP 32 Ca -0.02 1.78 0.17 0.00 0.43 0.00 0.00 52.55 54.91 2kan s ASP 32 Cb -0.09 -2.45 0.54 0.00 -0.30 0.00 0.00 42.92 40.61 2kan s ASP 32 CO 0.02 -2.26 1.67 -0.09 -0.17 0.00 0.00 175.17 174.33 2kan h ARG 33 N -1.29 0.00 -0.67 4.34 2.43 -1.94 -2.50 114.38 114.75 2kan h ARG 33 Ca -0.45 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 2kan h ARG 33 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 2kan h ARG 33 CO 0.51 0.44 0.00 0.25 -1.51 0.00 0.00 179.97 179.66 2kan n THR 34 N -3.51 1.63 -2.22 0.20 -2.24 -1.26 -2.19 114.28 104.69 2kan n THR 34 Ca -0.00 -1.12 -0.39 0.00 -2.27 0.00 0.00 64.05 60.27 2kan n THR 34 Cb 0.56 0.19 -0.02 0.00 -2.10 0.00 0.00 70.33 68.96 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 -1.68 4.09 0.48 -0.78 2.56 -0.94 -4.79 118.70 117.64 2kan s GLU 35 Ca 0.50 1.95 -0.19 0.00 0.00 0.00 0.00 54.97 57.24 2kan s GLU 35 Cb 0.31 -2.76 -0.09 0.00 2.00 0.00 0.00 34.13 33.59 2kan s GLU 35 CO 0.26 -0.32 0.98 0.95 -0.56 0.00 0.00 175.26 176.57 2kan s THR 36 N -1.33 4.32 0.43 -1.70 -4.23 -1.26 -1.49 115.64 110.37 2kan s THR 36 Ca 0.56 1.28 0.09 0.00 -1.18 0.00 0.00 61.69 62.44 2kan s THR 36 Cb -0.34 -3.61 0.25 0.00 1.34 0.00 0.00 72.50 70.14 2kan s THR 36 CO 0.43 -0.47 2.05 0.58 -0.54 0.00 0.00 174.62 176.67 2kan h VAL 37 N 1.34 1.10 -0.08 2.29 2.07 -0.63 0.09 116.25 122.43 2kan h VAL 37 Ca -0.48 -0.25 -0.11 0.00 0.82 0.00 0.00 66.70 66.69 2kan h VAL 37 Cb 1.19 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 2kan h VAL 37 CO 0.61 0.10 -0.44 -1.28 0.02 0.00 0.00 177.57 176.58 2kan h SER 38 N 0.39 0.18 0.93 0.57 0.87 -1.68 -1.30 113.55 113.52 2kan h SER 38 Ca 0.10 -0.08 -0.21 0.00 -1.23 0.00 0.00 61.79 60.38 2kan h SER 38 Cb 0.02 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 61.90 2kan h SER 38 CO -0.02 0.60 -0.98 -1.28 -0.53 0.00 0.00 176.83 174.63 2kan h SER 39 N 0.15 0.03 0.19 6.23 0.87 -1.51 -1.91 113.55 117.61 2kan h SER 39 Ca 0.01 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2kan h SER 39 Cb 0.83 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.78 2kan h SER 39 CO 0.06 0.99 -0.13 0.25 -0.53 0.00 0.00 176.83 177.47 2kan h LEU 40 N 0.01 -0.33 -0.54 2.23 5.85 -0.65 -0.40 115.31 121.49 2kan h LEU 40 Ca -0.02 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.78 2kan h LEU 40 Cb 1.71 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.79 2kan h LEU 40 CO 0.13 -0.21 0.26 0.11 -0.34 0.00 0.00 178.44 178.39 2kan h LYS 41 N -0.32 0.49 -0.44 1.25 1.57 -1.18 -1.14 116.57 116.79 2kan h LYS 41 Ca -0.01 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2kan h LYS 41 Cb 0.28 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2kan h LYS 41 CO 0.01 0.32 0.22 0.22 -0.57 0.00 0.00 179.45 179.65 2kan h ASP 42 N 0.50 0.56 -0.69 0.86 3.58 -1.14 -0.13 116.42 119.97 2kan h ASP 42 Ca 0.24 -0.12 -0.07 0.00 0.42 0.00 0.00 57.03 57.51 2kan h ASP 42 Cb 0.18 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.06 2kan h ASP 42 CO -0.18 0.52 0.16 0.11 -2.88 0.00 0.00 179.24 176.96 2kan h LYS 43 N 0.56 1.11 -0.55 0.28 1.57 -0.77 -1.63 116.57 117.14 2kan h LYS 43 Ca 0.15 -0.27 -0.05 0.00 -1.87 0.00 0.00 60.65 58.61 2kan h LYS 43 Cb 0.10 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 2kan h LYS 43 CO -0.02 0.99 0.14 0.82 -0.57 0.00 0.00 179.45 180.81 2kan h ILE 44 N 1.04 1.22 0.00 1.86 2.04 -0.88 -1.21 117.51 121.58 2kan h ILE 44 Ca 0.21 -0.80 -0.04 0.00 1.00 0.00 0.00 64.86 65.23 2kan h ILE 44 Cb 0.39 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 2kan h ILE 44 CO 0.00 0.30 -0.19 -0.74 0.00 0.00 0.00 178.15 177.53 2kan h HIS 45 N 0.81 0.00 -0.01 1.37 2.76 -0.51 0.56 115.15 120.13 2kan h HIS 45 Ca 0.18 0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 58.17 2kan h HIS 45 Cb 0.28 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.23 2kan h HIS 45 CO 0.02 0.19 -0.81 0.82 -1.30 0.00 0.00 177.93 176.84 2kan h ILE 46 N 0.00 1.51 0.00 6.26 2.04 -0.31 -3.35 117.51 123.66 2kan h ILE 46 Ca -0.00 -2.57 -0.03 0.00 1.00 0.00 0.00 64.86 63.26 2kan h ILE 46 Cb 0.36 2.41 -0.00 0.00 -0.74 0.00 0.00 36.82 38.84 2kan h ILE 46 CO 0.02 0.74 -0.21 0.58 0.00 0.00 0.00 178.15 179.29 2kan h VAL 47 N 0.07 0.88 -2.66 1.67 2.07 -0.51 -3.47 116.25 114.31 2kan h VAL 47 Ca -0.03 -1.72 -0.56 0.00 0.82 0.00 0.00 66.70 65.21 2kan h VAL 47 Cb 1.41 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 32.88 2kan h VAL 47 CO 0.12 0.30 -0.47 -0.70 0.02 0.00 0.00 177.57 176.84 2kan s GLU 48 N -2.01 3.45 0.00 1.57 -6.30 0.19 -5.00 118.70 110.60 2kan s GLU 48 Ca -0.13 -0.54 0.30 0.00 -2.50 0.00 0.00 54.97 52.10 2kan s GLU 48 Cb -0.00 -2.98 1.48 0.00 0.00 0.00 0.00 34.13 32.63 2kan s GLU 48 CO 0.39 0.54 1.99 0.09 0.02 0.00 0.00 175.26 178.29 2kan n ASN 49 N -0.35 0.48 -4.69 -1.70 4.13 -1.26 -4.35 115.26 107.51 2kan n ASN 49 Ca -0.06 -0.91 -0.42 0.00 1.68 0.00 0.00 54.58 54.86 2kan n ASN 49 Cb 0.53 -0.04 -0.03 0.00 -1.54 0.00 0.00 39.78 38.70 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 -2.19 3.98 0.57 3.41 2.01 -1.26 -5.00 115.64 117.16 2kan s THR 50 Ca 0.38 1.36 -0.20 0.00 0.31 0.00 0.00 61.69 63.55 2kan s THR 50 Cb 0.21 -3.87 -0.06 0.00 0.01 0.00 0.00 72.50 68.79 2kan s THR 50 CO 0.40 0.02 1.01 -0.81 -0.69 0.00 0.00 174.62 174.56 2kan n PRO 51 N 4.99 1.04 0.25 4.92 -0.04 -1.26 -4.64 135.00 140.26 2kan n PRO 51 Ca 0.11 0.40 0.10 0.00 -0.04 0.00 0.00 63.50 64.08 2kan n PRO 51 Cb 0.45 -2.20 0.64 0.00 -0.04 0.00 0.00 33.50 32.35 2kan n PRO 51 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2kan h ILE 52 N 0.73 0.70 0.00 0.52 2.04 -1.91 -1.61 117.51 117.98 2kan h ILE 52 Ca -0.48 -0.68 -0.05 0.00 1.00 0.00 0.00 64.86 64.64 2kan h ILE 52 Cb 1.35 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.85 2kan h ILE 52 CO 0.52 0.16 -0.25 0.11 0.00 0.00 0.00 178.15 178.69 2kan h LYS 53 N 0.00 0.00 0.00 2.37 6.56 -2.01 -3.24 116.57 120.25 2kan h LYS 53 Ca -0.00 0.00 -0.26 0.00 -1.06 0.00 0.00 60.65 59.33 2kan h LYS 53 Cb 0.41 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.02 2kan h LYS 53 CO 0.02 0.25 -1.55 -0.09 -2.06 0.00 0.00 179.45 176.02 2kan h ARG 54 N 0.00 0.00 -5.62 3.15 2.43 -1.66 -3.46 114.38 109.22 2kan h ARG 54 Ca -0.00 0.00 -0.65 0.00 -0.81 0.00 0.00 59.98 58.51 2kan h ARG 54 Cb 0.98 0.00 -0.17 0.00 -0.42 0.00 0.00 29.97 30.36 2kan h ARG 54 CO 0.03 0.54 -0.62 0.00 -1.51 0.00 0.00 179.97 178.42 2kan s MET 55 N -2.66 3.41 -0.08 0.20 0.23 -1.04 0.13 119.30 119.50 2kan s MET 55 Ca -0.03 -0.42 0.05 0.00 -1.03 0.00 0.00 55.69 54.25 2kan s MET 55 Cb 0.08 -2.93 -0.01 0.00 -1.53 0.00 0.00 34.83 30.45 2kan s MET 55 CO 0.82 0.47 -0.23 -1.14 -2.03 0.00 0.00 175.02 172.92 2kan s GLN 56 N -0.24 2.80 -0.03 3.16 2.00 0.30 -4.84 119.66 122.81 2kan s GLN 56 Ca 0.06 -0.87 -0.24 0.00 -2.00 0.00 0.00 55.36 52.32 2kan s GLN 56 Cb -0.12 -2.27 -0.04 0.00 0.80 0.00 0.00 33.01 31.38 2kan s GLN 56 CO 0.02 0.31 0.71 -0.51 -0.50 0.00 0.00 175.29 175.32 2kan s LEU 57 N 0.03 4.37 -0.10 3.68 1.43 -1.26 -1.55 118.68 125.27 2kan s LEU 57 Ca -0.09 1.26 0.01 0.00 -1.03 0.00 0.00 54.13 54.28 2kan s LEU 57 Cb -0.15 -3.11 0.02 0.00 0.03 0.00 0.00 46.19 42.98 2kan s LEU 57 CO 0.06 -0.06 -0.10 -0.31 0.23 0.00 0.00 176.35 176.17 2kan s TYR 58 N 0.45 1.54 -0.19 0.29 1.51 0.18 0.33 117.35 121.46 2kan s TYR 58 Ca 0.37 -0.71 -0.06 0.00 -1.01 0.00 0.00 57.07 55.67 2kan s TYR 58 Cb -0.19 -1.21 -0.03 0.00 -0.11 0.00 0.00 41.96 40.43 2kan s TYR 58 CO 0.19 -0.44 0.01 -0.47 -1.11 0.00 0.00 175.55 173.73 2kan s TYR 59 N 1.31 3.09 0.00 2.71 5.04 0.14 -0.32 117.35 129.32 2kan s TYR 59 Ca -0.02 -0.28 0.00 0.00 -2.44 0.00 0.00 57.07 54.33 2kan s TYR 59 Cb -0.14 -2.07 0.00 0.00 0.35 0.00 0.00 41.96 40.10 2kan s TYR 59 CO -0.04 -0.10 0.00 -1.13 -1.34 0.00 0.00 175.55 172.93 2kan n SER 60 N 3.97 0.00 -0.71 4.32 3.41 -1.26 0.02 113.62 123.36 2kan n SER 60 Ca -0.17 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.48 2kan n SER 60 Cb 0.52 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.53 2kan n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kan n GLY 61 N 0.00 1.99 3.16 5.00 0.00 -1.26 -4.99 105.19 109.09 2kan n GLY 61 Ca 0.00 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.91 1.67 0.19 -0.61 1.01 0.10 -5.12 121.20 117.53 2kan s ILE 62 Ca 0.20 -0.82 -0.26 0.00 0.00 0.00 0.00 60.65 59.77 2kan s ILE 62 Cb 0.20 -1.45 -0.08 0.00 0.01 0.00 0.00 42.46 41.14 2kan s ILE 62 CO -0.05 0.47 0.81 -1.83 0.00 0.00 0.00 174.94 174.35 2kan s GLU 63 N 0.24 4.61 -1.19 2.79 1.03 -1.26 0.24 118.70 125.16 2kan s GLU 63 Ca -0.11 1.22 -0.09 0.00 0.03 0.00 0.00 54.97 56.02 2kan s GLU 63 Cb -0.15 -3.24 0.22 0.00 -0.80 0.00 0.00 34.13 30.17 2kan s GLU 63 CO 0.05 0.55 1.59 1.28 -1.33 0.00 0.00 175.26 177.39 2kan n LEU 64 N 1.50 6.16 0.06 1.83 4.77 0.15 -4.75 117.00 126.73 2kan n LEU 64 Ca -0.05 -4.81 -0.07 0.00 -0.03 0.00 0.00 56.01 51.05 2kan n LEU 64 Cb 0.48 -1.45 -0.12 0.00 -2.33 0.00 0.00 43.42 40.00 2kan n LEU 64 CO 0.47 1.33 0.10 0.00 -1.33 0.00 0.00 177.39 177.96 2kan h ALA 65 N 6.06 0.37 -2.45 -1.18 0.00 -1.94 -3.41 119.26 116.70 2kan h ALA 65 Ca 0.30 -0.94 -0.52 0.00 0.00 0.00 0.00 54.91 53.75 2kan h ALA 65 Cb 0.70 -0.13 0.14 0.00 0.00 0.00 0.00 17.79 18.51 2kan h ALA 65 CO 1.40 1.26 0.34 -0.51 0.00 0.00 0.00 179.25 181.74 2kan s ASP 66 N -6.68 4.25 -0.06 0.00 1.11 -1.26 -4.98 116.67 109.05 2kan s ASP 66 Ca 0.01 2.10 0.03 0.00 0.18 0.00 0.00 52.55 54.87 2kan s ASP 66 Cb 0.10 -2.56 -0.06 0.00 1.07 0.00 0.00 42.92 41.47 2kan s ASP 66 CO 0.82 -2.21 -0.01 0.47 1.18 0.00 0.00 175.17 175.42 2kan n ASP 67 N -3.14 3.59 0.10 0.27 8.00 -1.26 -4.35 116.55 119.75 2kan n ASP 67 Ca 0.11 -0.01 0.13 0.00 0.71 0.00 0.00 54.79 55.73 2kan n ASP 67 Cb 0.52 0.36 0.43 0.00 -0.02 0.00 0.00 41.12 42.41 2kan n ASP 67 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kan n TYR 68 N -2.39 0.82 -2.32 1.24 4.11 -1.26 -2.45 117.16 114.91 2kan n TYR 68 Ca -0.10 0.25 -0.33 0.00 -0.00 0.00 0.00 57.90 57.72 2kan n TYR 68 Cb 0.66 -0.90 -0.02 0.00 -0.00 0.00 0.00 39.34 39.08 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 -3.11 3.72 0.08 -3.48 1.81 -1.26 -4.86 118.95 111.86 2kan s ARG 69 Ca 0.10 1.12 0.02 0.00 -1.72 0.00 0.00 55.73 55.25 2kan s ARG 69 Cb 0.13 -2.10 -0.04 0.00 -0.45 0.00 0.00 34.95 32.49 2kan s ARG 69 CO 0.57 -0.47 0.16 -0.80 -0.68 0.00 0.00 175.30 174.08 2kan s ASN 70 N -2.74 5.96 0.28 0.23 0.01 -1.26 -0.21 114.94 117.21 2kan s ASN 70 Ca 0.62 0.12 -0.03 0.00 -0.71 0.00 0.00 52.86 52.86 2kan s ASN 70 Cb -0.13 -1.72 0.40 0.00 0.41 0.00 0.00 41.25 40.21 2kan s ASN 70 CO 0.30 0.15 1.94 -0.07 -1.51 0.00 0.00 177.10 177.91 2kan h LEU 71 N 3.02 1.01 -1.90 0.60 3.38 -1.39 -1.64 115.31 118.38 2kan h LEU 71 Ca -0.46 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 2kan h LEU 71 Cb 1.17 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 2kan h LEU 71 CO 0.70 0.71 -0.11 -0.55 0.09 0.00 0.00 178.44 179.28 2kan h ASN 72 N 1.18 0.00 0.48 -0.43 7.08 -1.64 -1.54 115.58 120.71 2kan h ASN 72 Ca 0.35 0.00 -0.05 0.00 -3.08 0.00 0.00 56.30 53.52 2kan h ASN 72 Cb -0.04 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.19 2kan h ASN 72 CO -0.10 0.11 -0.25 -0.33 -2.08 0.00 0.00 177.43 174.78 2kan h GLU 73 N 0.00 0.00 -0.00 4.14 5.08 -1.60 -1.15 114.58 121.05 2kan h GLU 73 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kan h GLU 73 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2kan h GLU 73 CO 0.01 0.25 -0.11 0.66 -1.00 0.00 0.00 179.01 178.82 2kan n TYR 74 N -3.78 0.00 -0.86 4.33 4.01 -0.61 -4.89 117.16 115.36 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 0.35 -0.26 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 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 1.34 0.60 3.74 2.72 0.00 -0.43 -5.04 105.19 108.12 2kan n GLY 75 Ca 0.12 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 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 4.20 0.04 -0.61 1.01 -1.02 -5.02 121.20 117.80 2kan s ILE 76 Ca 0.00 2.02 0.01 0.00 0.00 0.00 0.00 60.65 62.67 2kan s ILE 76 Cb 0.00 -4.29 -0.00 0.00 0.01 0.00 0.00 42.46 38.18 2kan s ILE 76 CO 0.00 0.40 0.03 1.07 0.00 0.00 0.00 174.94 176.44 2kan n THR 77 N 2.08 0.00 -1.66 2.92 5.66 -1.26 -4.38 114.28 117.64 2kan n THR 77 Ca 0.00 -0.25 -0.47 0.00 -3.05 0.00 0.00 64.05 60.28 2kan n THR 77 Cb 0.48 0.12 -0.04 0.00 -1.55 0.00 0.00 70.33 69.33 2kan n THR 77 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2kan n GLU 78 N -0.07 2.05 -3.37 1.09 4.07 -1.26 -2.81 120.64 120.34 2kan n GLU 78 Ca 0.01 0.74 -0.19 0.00 -0.06 0.00 0.00 57.16 57.65 2kan n GLU 78 Cb 0.06 -2.50 0.06 0.00 -0.06 0.00 0.00 31.44 29.00 2kan n GLU 78 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 2kan n PHE 79 N 3.66 -2.32 -3.47 4.31 3.72 -0.88 -4.92 117.46 117.57 2kan n PHE 79 Ca 0.18 0.76 -0.37 0.00 -0.05 0.00 0.00 57.45 57.97 2kan n PHE 79 Cb 0.28 -3.99 -0.07 0.00 -0.94 0.00 0.00 39.48 34.77 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 -3.45 6.55 -0.29 4.37 1.04 -1.12 -4.90 113.70 115.89 2kan s SER 80 Ca 0.45 0.65 -0.25 0.00 0.48 0.00 0.00 55.95 57.28 2kan s SER 80 Cb -0.08 -2.22 0.00 0.00 0.10 0.00 0.00 66.02 63.82 2kan s SER 80 CO 0.77 0.10 0.87 -1.61 0.98 0.00 0.00 173.24 174.35 2kan s GLU 81 N 0.33 4.03 -0.29 4.02 2.02 -1.26 -0.86 118.70 126.69 2kan s GLU 81 Ca 0.20 0.78 -0.09 0.00 0.02 0.00 0.00 54.97 55.88 2kan s GLU 81 Cb -0.14 -3.71 -0.02 0.00 0.10 0.00 0.00 34.13 30.36 2kan s GLU 81 CO 0.07 -0.70 0.14 0.42 0.02 0.00 0.00 175.26 175.21 2kan s ILE 82 N 3.10 4.64 -0.26 -1.63 -1.09 0.17 -4.37 121.20 121.76 2kan s ILE 82 Ca 0.36 -0.28 -0.21 0.00 -2.23 0.00 0.00 60.65 58.30 2kan s ILE 82 Cb -0.14 -3.30 -0.02 0.00 -1.58 0.00 0.00 42.46 37.43 2kan s ILE 82 CO 0.12 0.16 0.65 -0.69 -1.23 0.00 0.00 174.94 173.94 2kan s VAL 83 N 1.64 4.97 -0.43 2.92 1.01 0.56 -0.67 120.40 130.39 2kan s VAL 83 Ca 0.05 1.14 -0.13 0.00 0.00 0.00 0.00 61.98 63.04 2kan s VAL 83 Cb -0.16 -3.95 0.06 0.00 0.00 0.00 0.00 36.38 32.32 2kan s VAL 83 CO 0.06 0.00 0.31 -0.69 0.00 0.00 0.00 175.10 174.79 2kan s VAL 84 N 2.54 4.89 -0.10 2.92 1.01 0.10 -0.65 120.40 131.11 2kan s VAL 84 Ca 0.27 -1.03 -0.19 0.00 0.00 0.00 0.00 61.98 61.03 2kan s VAL 84 Cb -0.15 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 2kan s VAL 84 CO 0.09 -0.45 0.52 -0.36 0.00 0.00 0.00 175.10 174.89 2kan s PHE 85 N 1.58 3.54 -0.01 5.22 0.08 -0.60 -4.43 117.98 123.37 2kan s PHE 85 Ca 0.04 0.97 -0.08 0.00 0.12 0.00 0.00 56.93 57.97 2kan s PHE 85 Cb -0.22 -2.59 -0.05 0.00 -0.57 0.00 0.00 43.02 39.59 2kan s PHE 85 CO 0.06 0.18 0.27 -0.51 -0.10 0.00 0.00 175.22 175.12 2kan s LEU 86 N 0.56 4.38 -0.12 -0.37 1.43 -1.26 -0.54 118.68 122.77 2kan s LEU 86 Ca 0.28 0.60 -0.06 0.00 -1.03 0.00 0.00 54.13 53.93 2kan s LEU 86 Cb -0.16 -2.60 -0.20 0.00 0.03 0.00 0.00 46.19 43.26 2kan s LEU 86 CO 0.12 0.28 3.45 0.29 0.23 0.00 0.00 176.35 180.72 2kan n LYS 87 N 1.30 2.12 -2.71 1.70 4.76 0.12 -4.84 118.16 120.60 2kan n LYS 87 Ca -0.13 -1.29 -0.42 0.00 -2.87 0.00 0.00 58.31 53.61 2kan n LYS 87 Cb 0.53 -2.05 -0.03 0.00 -1.84 0.00 0.00 35.03 31.64 2kan n LYS 87 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2kan s SER 88 N 1.69 6.39 0.00 4.39 0.01 -1.26 -4.76 113.70 120.15 2kan s SER 88 Ca 0.65 -1.27 0.18 0.00 1.31 0.00 0.00 55.95 56.82 2kan s SER 88 Cb 0.33 -2.49 0.53 0.00 0.21 0.00 0.00 66.02 64.60 2kan s SER 88 CO -0.04 -1.46 1.42 2.30 0.41 0.00 0.00 173.24 175.87 2kan n ILE 89 N 6.24 0.45 -3.88 1.44 -5.35 -1.26 -4.82 119.36 112.18 2kan n ILE 89 Ca 0.16 -0.54 -0.35 0.00 -0.27 0.00 0.00 62.75 61.75 2kan n ILE 89 Cb 0.49 0.44 -0.14 0.00 -1.74 0.00 0.00 39.64 38.69 2kan n ILE 89 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 2kan s ASN 90 N -1.29 4.54 0.09 7.28 -0.87 -1.26 -4.97 114.94 118.47 2kan s ASN 90 Ca 0.33 -0.59 -0.18 0.00 -1.57 0.00 0.00 52.86 50.85 2kan s ASN 90 Cb 0.18 -1.76 -0.07 0.00 -0.02 0.00 0.00 41.25 39.58 2kan s ASN 90 CO 0.25 -0.09 1.52 -0.09 -2.57 0.00 0.00 177.10 176.12 2kan h ARG 91 N 8.12 0.51 -4.54 -0.60 2.43 -2.03 -3.26 114.38 115.01 2kan h ARG 91 Ca -0.36 -0.17 -0.73 0.00 -0.81 0.00 0.00 59.98 57.91 2kan h ARG 91 Cb 1.14 -0.04 -0.14 0.00 -0.42 0.00 0.00 29.97 30.50 2kan h ARG 91 CO 0.59 0.67 1.84 0.00 -1.51 0.00 0.00 179.97 181.56 2kan n ALA 92 N -2.37 4.37 -2.12 2.80 0.00 -1.26 -4.99 120.51 116.94 2kan n ALA 92 Ca -0.03 -4.17 -0.29 0.00 0.00 0.00 0.00 53.44 48.95 2kan n ALA 92 Cb 0.26 -3.17 -0.00 0.00 0.00 0.00 0.00 19.45 16.54 2kan n ALA 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2kan s LYS 93 N 1.83 3.59 0.00 0.00 -2.85 -1.23 -5.17 119.74 115.91 2kan s LYS 93 Ca 0.44 0.42 0.06 0.00 -1.00 0.00 0.00 55.97 55.89 2kan s LYS 93 Cb 0.03 -2.28 0.05 0.00 -2.06 0.00 0.00 37.83 33.57 2kan s LYS 93 CO 0.01 -0.31 0.69 -0.25 0.10 0.00 0.00 175.35 175.59