#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 -1.18 -0.27 3.03 0.00 -1.26 -5.11 107.32 102.54 2kan s GLY 2 Ca 0.00 0.70 -0.28 0.00 0.00 0.00 0.00 44.72 45.14 2kan s GLY 2 CO 0.00 3.61 1.99 -1.58 0.00 0.00 0.00 173.10 177.12 2kan s HIS 3 N 2.49 1.51 -0.02 1.90 5.65 -1.26 -4.91 115.29 120.65 2kan s HIS 3 Ca 0.12 0.56 -0.30 0.00 0.25 0.00 0.00 55.06 55.69 2kan s HIS 3 Cb -0.09 -4.03 -0.06 0.00 -1.18 0.00 0.00 32.58 27.22 2kan s HIS 3 CO -0.20 -3.52 1.59 -1.01 -0.65 0.00 0.00 174.74 170.94 2kan s HIS 4 N 7.45 2.27 0.05 3.88 0.09 -1.26 -4.88 115.29 122.89 2kan s HIS 4 Ca 0.89 0.36 0.09 0.00 -0.00 0.00 0.00 55.06 56.41 2kan s HIS 4 Cb -0.28 -3.86 -0.22 0.00 -0.00 0.00 0.00 32.58 28.22 2kan s HIS 4 CO 0.34 -3.52 1.00 0.45 -0.00 0.00 0.00 174.74 173.02 2kan h HIS 5 N 8.91 0.02 -1.00 1.40 3.86 -2.07 -3.47 115.15 122.79 2kan h HIS 5 Ca -0.39 -0.01 -0.40 0.00 -1.16 0.00 0.00 60.37 58.40 2kan h HIS 5 Cb 1.18 -0.00 -0.15 0.00 1.06 0.00 0.00 27.41 29.49 2kan h HIS 5 CO 0.84 1.01 -0.37 1.58 0.86 0.00 0.00 177.93 181.85 2kan n HIS 6 N -3.23 -0.03 -3.02 2.45 -0.00 -1.26 -4.93 115.22 105.20 2kan n HIS 6 Ca -0.08 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 57.69 2kan n HIS 6 Cb 0.99 -3.33 -0.06 0.00 -0.12 0.00 0.00 29.99 27.48 2kan n HIS 6 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kan s HIS 7 N -2.74 3.22 0.37 1.57 3.76 -1.26 -5.04 115.29 115.17 2kan s HIS 7 Ca 0.00 0.74 -0.22 0.00 -0.15 0.00 0.00 55.06 55.44 2kan s HIS 7 Cb 0.00 -3.08 -0.10 0.00 1.11 0.00 0.00 32.58 30.51 2kan s HIS 7 CO 0.00 -0.50 0.90 -1.58 -0.85 0.00 0.00 174.74 172.72 2kan s HIS 8 N 2.77 3.45 -0.22 1.40 2.46 -1.26 -4.65 115.29 119.24 2kan s HIS 8 Ca 0.29 1.59 -0.06 0.00 0.47 0.00 0.00 55.06 57.35 2kan s HIS 8 Cb -0.15 -2.81 0.02 0.00 -0.13 0.00 0.00 32.58 29.51 2kan s HIS 8 CO 0.11 0.04 0.12 0.43 -2.47 0.00 0.00 174.74 172.98 2kan n SER 9 N -0.15 -3.66 0.13 9.88 7.64 -1.26 -5.03 113.62 121.16 2kan n SER 9 Ca 0.04 1.26 0.00 0.00 1.01 0.00 0.00 58.87 61.18 2kan n SER 9 Cb 0.53 -4.89 0.00 0.00 -1.01 0.00 0.00 64.21 58.83 2kan n SER 9 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2kan n HIS 10 N 1.12 -3.20 -3.78 1.43 -0.00 -1.26 -5.17 115.22 104.36 2kan n HIS 10 Ca -0.21 0.79 -0.09 0.00 -0.00 0.00 0.00 57.72 58.21 2kan n HIS 10 Cb 0.33 2.06 0.03 0.00 -0.00 0.00 0.00 29.99 32.40 2kan n HIS 10 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2kan n ALA 11 N -3.09 -1.69 -2.77 1.57 0.00 -1.26 -5.17 120.51 108.09 2kan n ALA 11 Ca 0.00 -1.25 -0.31 0.00 0.00 0.00 0.00 53.44 51.88 2kan n ALA 11 Cb 0.00 1.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.38 2kan n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kan s ALA 12 N -2.08 3.56 0.91 0.00 0.00 -1.26 -5.11 121.76 117.79 2kan s ALA 12 Ca 0.16 -0.97 -0.12 0.00 0.00 0.00 0.00 51.96 51.03 2kan s ALA 12 Cb -0.05 -1.47 0.14 0.00 0.00 0.00 0.00 23.12 21.74 2kan s ALA 12 CO 0.12 0.73 1.10 0.14 0.00 0.00 0.00 175.76 177.85 2kan s VAL 13 N -1.33 2.44 -0.12 0.00 -7.23 -1.26 -5.04 120.40 107.87 2kan s VAL 13 Ca 0.27 0.14 -0.09 0.00 -1.81 0.00 0.00 61.98 60.50 2kan s VAL 13 Cb -0.12 -2.72 -0.04 0.00 0.56 0.00 0.00 36.38 34.06 2kan s VAL 13 CO 0.20 -0.19 0.18 -0.13 -0.31 0.00 0.00 175.10 174.84 2kan s ARG 14 N -5.04 3.65 0.08 4.82 0.52 -1.26 -5.06 118.95 116.67 2kan s ARG 14 Ca 0.64 -0.07 -0.31 0.00 -0.52 0.00 0.00 55.73 55.47 2kan s ARG 14 Cb -0.17 -3.24 -0.08 0.00 0.52 0.00 0.00 34.95 31.98 2kan s ARG 14 CO 0.56 0.67 1.45 0.15 0.02 0.00 0.00 175.30 178.15 2kan s LYS 15 N -0.75 4.28 0.25 3.54 3.01 -1.26 -4.32 119.74 124.50 2kan s LYS 15 Ca 0.15 2.11 -0.23 0.00 -1.01 0.00 0.00 55.97 56.99 2kan s LYS 15 Cb -0.12 -3.37 -0.09 0.00 -1.01 0.00 0.00 37.83 33.24 2kan s LYS 15 CO 0.04 -0.53 0.81 0.96 0.51 0.00 0.00 175.35 177.14 2kan s ILE 16 N 1.66 4.42 -0.71 2.17 -4.36 0.14 -4.71 121.20 119.81 2kan s ILE 16 Ca 0.66 1.53 -0.22 0.00 -0.26 0.00 0.00 60.65 62.36 2kan s ILE 16 Cb -0.36 -3.95 0.08 0.00 1.25 0.00 0.00 42.46 39.48 2kan s ILE 16 CO 0.30 0.23 1.00 -1.00 0.24 0.00 0.00 174.94 175.70 2kan s HIS 17 N -1.51 2.74 -0.11 1.37 3.76 -1.26 -2.11 115.29 118.18 2kan s HIS 17 Ca 0.44 -0.69 -0.17 0.00 -0.15 0.00 0.00 55.06 54.50 2kan s HIS 17 Cb -0.18 -4.30 -0.05 0.00 1.11 0.00 0.00 32.58 29.16 2kan s HIS 17 CO 0.23 -1.63 0.43 0.14 -0.85 0.00 0.00 174.74 173.06 2kan s VAL 18 N 3.87 5.18 -0.45 -0.90 -7.23 -0.84 -1.22 120.40 118.81 2kan s VAL 18 Ca 0.24 0.87 -0.25 0.00 -1.81 0.00 0.00 61.98 61.03 2kan s VAL 18 Cb -0.15 -3.77 0.03 0.00 0.56 0.00 0.00 36.38 33.05 2kan s VAL 18 CO 0.07 0.38 0.90 -0.89 -0.31 0.00 0.00 175.10 175.25 2kan s THR 19 N 0.33 4.51 -0.48 5.32 2.01 0.11 -1.62 115.64 125.82 2kan s THR 19 Ca 0.24 0.73 -0.21 0.00 0.31 0.00 0.00 61.69 62.75 2kan s THR 19 Cb -0.15 -4.41 0.04 0.00 0.01 0.00 0.00 72.50 67.99 2kan s THR 19 CO 0.10 -0.80 0.70 -0.69 -0.69 0.00 0.00 174.62 173.24 2kan s VAL 20 N 3.67 4.75 -0.49 3.82 1.01 0.94 -0.41 120.40 133.68 2kan s VAL 20 Ca 0.36 -0.01 -0.16 0.00 0.00 0.00 0.00 61.98 62.17 2kan s VAL 20 Cb -0.10 -4.30 0.08 0.00 0.00 0.00 0.00 36.38 32.05 2kan s VAL 20 CO 0.25 -0.76 0.45 -0.54 0.00 0.00 0.00 175.10 174.50 2kan s LYS 21 N 3.00 3.00 0.26 2.72 1.02 -0.07 -1.91 119.74 127.77 2kan s LYS 21 Ca 0.22 -1.33 -0.01 0.00 0.02 0.00 0.00 55.97 54.87 2kan s LYS 21 Cb -0.15 -4.15 -0.04 0.00 -0.52 0.00 0.00 37.83 32.96 2kan s LYS 21 CO 0.17 -1.11 0.47 -0.06 -0.92 0.00 0.00 175.35 173.90 2kan s PHE 22 N 1.80 3.48 0.16 3.18 0.40 0.73 0.06 117.98 127.80 2kan s PHE 22 Ca 0.06 0.39 0.34 0.00 -0.60 0.00 0.00 56.93 57.11 2kan s PHE 22 Cb -0.24 -1.90 1.66 0.00 0.51 0.00 0.00 43.02 43.04 2kan s PHE 22 CO 0.07 0.26 2.03 -1.35 0.70 0.00 0.00 175.22 176.93 2kan h PRO 23 N 1.52 0.00 0.00 0.24 0.11 -1.98 -3.03 132.00 128.86 2kan h PRO 23 Ca -0.49 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 2kan h PRO 23 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2kan h PRO 23 CO 0.65 0.00 -1.85 0.43 -0.21 0.00 0.00 178.00 177.02 2kan n SER 24 N -2.82 1.04 -3.62 -2.05 7.64 -1.26 -5.06 113.62 107.49 2kan n SER 24 Ca -0.01 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 2kan n SER 24 Cb 0.17 1.62 -0.00 0.00 -1.01 0.00 0.00 64.21 64.98 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 -3.05 1.11 -0.03 1.43 -2.85 -1.15 -5.17 119.74 110.05 2kan s LYS 25 Ca -0.07 -0.65 0.00 0.00 -1.00 0.00 0.00 55.97 54.26 2kan s LYS 25 Cb 0.10 0.36 0.02 0.00 -2.06 0.00 0.00 37.83 36.25 2kan s LYS 25 CO 0.71 -0.51 -0.00 -1.14 0.10 0.00 0.00 175.35 174.50 2kan s GLN 26 N -2.83 0.29 0.16 1.78 0.74 -1.26 -0.19 119.66 118.35 2kan s GLN 26 Ca 0.15 0.05 -0.13 0.00 0.05 0.00 0.00 55.36 55.49 2kan s GLN 26 Cb -0.01 -0.44 0.01 0.00 1.10 0.00 0.00 33.01 33.67 2kan s GLN 26 CO 0.02 -0.11 0.37 -0.59 -0.55 0.00 0.00 175.29 174.43 2kan s PHE 27 N 0.87 0.13 -0.03 1.67 -0.71 -0.80 -5.01 117.98 114.09 2kan s PHE 27 Ca -0.09 -0.48 0.01 0.00 -1.04 0.00 0.00 56.93 55.33 2kan s PHE 27 Cb -0.12 0.13 -0.03 0.00 -1.21 0.00 0.00 43.02 41.79 2kan s PHE 27 CO -0.02 -0.76 -0.02 0.99 -1.34 0.00 0.00 175.22 174.08 2kan s THR 28 N -3.90 4.07 -0.03 -4.49 2.01 -1.26 -0.04 115.64 111.99 2kan s THR 28 Ca 0.11 -0.52 0.06 0.00 0.31 0.00 0.00 61.69 61.65 2kan s THR 28 Cb 0.02 -2.77 -0.01 0.00 0.01 0.00 0.00 72.50 69.75 2kan s THR 28 CO -0.04 0.46 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.46 2kan s VAL 29 N -0.99 1.67 -0.57 3.82 1.01 -0.64 -4.95 120.40 119.75 2kan s VAL 29 Ca 0.17 -0.88 -0.21 0.00 0.00 0.00 0.00 61.98 61.06 2kan s VAL 29 Cb -0.11 -1.41 0.07 0.00 0.00 0.00 0.00 36.38 34.93 2kan s VAL 29 CO 0.07 0.47 0.78 -1.61 0.00 0.00 0.00 175.10 174.81 2kan s GLU 30 N -0.26 3.14 0.06 2.72 2.02 -1.26 -1.98 118.70 123.15 2kan s GLU 30 Ca 0.02 -0.86 0.09 0.00 0.02 0.00 0.00 54.97 54.24 2kan s GLU 30 Cb -0.10 -4.16 -0.03 0.00 0.10 0.00 0.00 34.13 29.94 2kan s GLU 30 CO 0.01 -1.48 -0.25 0.14 0.02 0.00 0.00 175.26 173.69 2kan s VAL 31 N 3.22 2.25 0.51 2.63 -7.23 -0.90 -4.91 120.40 115.98 2kan s VAL 31 Ca 0.19 -1.45 -0.23 0.00 -1.81 0.00 0.00 61.98 58.68 2kan s VAL 31 Cb -0.19 -1.91 -0.06 0.00 0.56 0.00 0.00 36.38 34.78 2kan s VAL 31 CO 0.11 0.30 1.38 -0.67 -0.31 0.00 0.00 175.10 175.92 2kan n ASP 32 N 1.55 2.90 0.26 4.85 -0.08 -1.26 0.29 116.55 125.06 2kan n ASP 32 Ca -0.17 1.03 0.15 0.00 -1.51 0.00 0.00 54.79 54.29 2kan n ASP 32 Cb 0.52 -1.58 0.64 0.00 2.34 0.00 0.00 41.12 43.04 2kan n ASP 32 CO 0.00 0.00 0.00 0.08 0.12 0.00 0.00 177.20 177.40 2kan h ARG 33 N 1.74 0.00 -0.63 -0.67 0.11 -1.92 -1.24 114.38 111.77 2kan h ARG 33 Ca -0.51 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.57 2kan h ARG 33 Cb 1.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.37 2kan h ARG 33 CO 0.58 0.08 0.00 0.25 0.10 0.00 0.00 179.97 180.99 2kan n THR 34 N -3.24 1.54 -2.31 0.08 -2.24 -1.26 -1.30 114.28 105.55 2kan n THR 34 Ca 0.00 -0.98 -0.35 0.00 -2.27 0.00 0.00 64.05 60.45 2kan n THR 34 Cb 0.33 0.05 -0.00 0.00 -2.10 0.00 0.00 70.33 68.61 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 -1.81 3.45 0.32 -0.78 2.56 -0.47 -4.70 118.70 117.27 2kan s GLU 35 Ca 0.43 1.58 -0.11 0.00 0.00 0.00 0.00 54.97 56.87 2kan s GLU 35 Cb 0.28 -2.04 -0.07 0.00 2.00 0.00 0.00 34.13 34.30 2kan s GLU 35 CO 0.21 -0.77 0.67 0.95 -0.56 0.00 0.00 175.26 175.76 2kan s THR 36 N -1.79 4.83 0.33 -1.70 -4.23 -1.26 -0.58 115.64 111.24 2kan s THR 36 Ca 0.72 0.59 0.05 0.00 -1.18 0.00 0.00 61.69 61.86 2kan s THR 36 Cb -0.23 -3.67 0.30 0.00 1.34 0.00 0.00 72.50 70.24 2kan s THR 36 CO 0.26 -0.27 1.90 0.58 -0.54 0.00 0.00 174.62 176.55 2kan h VAL 37 N 1.63 0.96 -0.54 2.29 2.07 -0.25 0.26 116.25 122.67 2kan h VAL 37 Ca -0.47 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 66.77 2kan h VAL 37 Cb 1.18 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 2kan h VAL 37 CO 0.66 0.15 0.34 0.77 0.02 0.00 0.00 177.57 179.51 2kan h SER 38 N 0.85 0.56 1.47 0.57 4.64 -0.96 -1.50 113.55 119.18 2kan h SER 38 Ca 0.40 -0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.62 2kan h SER 38 Cb 0.42 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 2kan h SER 38 CO -0.17 0.40 -0.45 0.28 -0.87 0.00 0.00 176.83 176.02 2kan h SER 39 N 0.67 0.00 -0.61 4.97 0.02 -1.50 -2.34 113.55 114.77 2kan h SER 39 Ca 0.21 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.14 2kan h SER 39 Cb -0.02 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 2kan h SER 39 CO -0.07 0.45 0.31 0.25 -1.14 0.00 0.00 176.83 176.62 2kan h LEU 40 N 0.00 0.78 -1.09 5.07 5.85 -0.14 -0.95 115.31 124.83 2kan h LEU 40 Ca -0.00 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.53 2kan h LEU 40 Cb 1.30 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 2kan h LEU 40 CO 0.06 0.67 -0.16 0.11 -0.34 0.00 0.00 178.44 178.78 2kan h LYS 41 N 0.82 0.46 -0.64 1.25 1.57 -1.03 -2.52 116.57 116.48 2kan h LYS 41 Ca 0.21 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2kan h LYS 41 Cb 0.09 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 2kan h LYS 41 CO -0.03 0.61 0.34 -0.44 -0.57 0.00 0.00 179.45 179.36 2kan h ASP 42 N 0.42 0.80 -0.15 0.86 3.32 -0.86 -0.66 116.42 120.15 2kan h ASP 42 Ca 0.08 -0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.06 2kan h ASP 42 Cb 0.52 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.83 2kan h ASP 42 CO 0.03 0.68 -0.07 0.11 -1.72 0.00 0.00 179.24 178.27 2kan h LYS 43 N 0.87 -0.06 -0.81 3.56 1.79 -0.78 -0.94 116.57 120.21 2kan h LYS 43 Ca 0.22 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.66 2kan h LYS 43 Cb 0.06 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.69 2kan h LYS 43 CO -0.03 -0.04 0.36 0.82 -1.08 0.00 0.00 179.45 179.48 2kan h ILE 44 N -0.06 1.26 -0.06 1.86 2.04 -1.28 -1.85 117.51 119.43 2kan h ILE 44 Ca 0.09 -0.76 -0.05 0.00 1.00 0.00 0.00 64.86 65.14 2kan h ILE 44 Cb 0.19 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 2kan h ILE 44 CO -0.19 0.32 -0.18 -0.74 0.00 0.00 0.00 178.15 177.36 2kan h HIS 45 N 1.16 0.09 -0.06 1.37 2.76 -0.59 0.56 115.15 120.45 2kan h HIS 45 Ca 0.27 -0.01 -0.23 0.00 -2.20 0.00 0.00 60.37 58.20 2kan h HIS 45 Cb 0.16 -0.03 0.01 0.00 1.55 0.00 0.00 27.41 29.10 2kan h HIS 45 CO 0.02 0.27 -0.89 0.82 -1.30 0.00 0.00 177.93 176.85 2kan h ILE 46 N 0.09 1.32 0.00 6.26 2.04 -0.54 -3.37 117.51 123.31 2kan h ILE 46 Ca 0.02 -2.19 -0.04 0.00 1.00 0.00 0.00 64.86 63.65 2kan h ILE 46 Cb 0.37 2.22 -0.01 0.00 -0.74 0.00 0.00 36.82 38.67 2kan h ILE 46 CO 0.03 0.67 -0.27 0.58 0.00 0.00 0.00 178.15 179.16 2kan h VAL 47 N 0.38 0.81 -2.76 1.67 2.07 -0.89 -3.47 116.25 114.06 2kan h VAL 47 Ca -0.08 -1.69 -0.56 0.00 0.82 0.00 0.00 66.70 65.20 2kan h VAL 47 Cb 1.52 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 32.88 2kan h VAL 47 CO 0.17 0.28 -0.42 -1.61 0.02 0.00 0.00 177.57 176.00 2kan s GLU 48 N -2.02 3.48 -1.25 1.57 0.41 0.19 -5.02 118.70 116.06 2kan s GLU 48 Ca -0.14 -0.45 -0.14 0.00 -0.41 0.00 0.00 54.97 53.83 2kan s GLU 48 Cb 0.00 -2.93 0.14 0.00 -1.78 0.00 0.00 34.13 29.56 2kan s GLU 48 CO 0.38 0.50 1.59 -1.71 -0.49 0.00 0.00 175.26 175.53 2kan n ASN 49 N -0.37 5.09 -3.68 -0.19 2.85 -1.26 -4.35 115.26 113.35 2kan n ASN 49 Ca -0.06 -2.98 -0.12 0.00 -0.11 0.00 0.00 54.58 51.32 2kan n ASN 49 Cb 0.53 -1.60 -0.12 0.00 1.24 0.00 0.00 39.78 39.82 2kan n ASN 49 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 2kan s THR 50 N 2.07 -0.32 0.31 -0.44 2.01 -1.26 -5.14 115.64 112.87 2kan s THR 50 Ca 0.45 0.22 -0.30 0.00 0.31 0.00 0.00 61.69 62.37 2kan s THR 50 Cb 0.01 -0.47 -0.11 0.00 0.01 0.00 0.00 72.50 71.94 2kan s THR 50 CO 0.02 0.09 1.56 -2.84 -0.69 0.00 0.00 174.62 172.75 2kan s PRO 51 N 2.07 4.13 0.51 4.92 0.02 -1.26 -4.55 135.00 140.83 2kan s PRO 51 Ca -0.03 2.55 0.23 0.00 0.02 0.00 0.00 61.00 63.77 2kan s PRO 51 Cb -0.11 -3.02 1.35 0.00 0.02 0.00 0.00 34.50 32.74 2kan s PRO 51 CO -0.09 -0.59 2.07 0.82 -0.33 0.00 0.00 177.00 178.88 2kan h ILE 52 N 3.31 0.76 0.00 2.83 2.04 -1.91 -1.26 117.51 123.29 2kan h ILE 52 Ca -0.48 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 64.91 2kan h ILE 52 Cb 1.22 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 2kan h ILE 52 CO 0.76 0.12 0.00 0.29 0.00 0.00 0.00 178.15 179.32 2kan n LYS 53 N -3.92 0.03 -0.13 2.37 5.02 -1.26 -3.29 118.16 116.98 2kan n LYS 53 Ca -0.02 0.21 -0.20 0.00 -2.02 0.00 0.00 58.31 56.28 2kan n LYS 53 Cb 0.21 -1.56 -0.11 0.00 -0.02 0.00 0.00 35.03 33.55 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 -1.62 0.62 -3.21 1.97 1.74 -0.49 -4.92 116.66 110.74 2kan n ARG 54 Ca 0.04 0.17 -0.39 0.00 -0.77 0.00 0.00 57.85 56.91 2kan n ARG 54 Cb 0.23 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.11 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 -2.50 4.35 0.09 5.56 0.23 -1.11 -0.28 119.30 125.64 2kan s MET 55 Ca -0.35 0.65 0.06 0.00 -1.03 0.00 0.00 55.69 55.02 2kan s MET 55 Cb 0.10 -3.41 -0.04 0.00 -1.53 0.00 0.00 34.83 29.95 2kan s MET 55 CO 0.56 0.20 -0.07 -1.14 -2.03 0.00 0.00 175.02 172.54 2kan s GLN 56 N 0.41 2.27 -0.15 3.16 2.00 -0.02 -4.88 119.66 122.45 2kan s GLN 56 Ca 0.31 -0.95 -0.07 0.00 -2.00 0.00 0.00 55.36 52.65 2kan s GLN 56 Cb -0.17 -2.38 -0.04 0.00 0.80 0.00 0.00 33.01 31.22 2kan s GLN 56 CO 0.14 0.52 0.09 -0.51 -0.50 0.00 0.00 175.29 175.04 2kan s LEU 57 N -2.15 4.05 -0.14 3.68 1.43 -1.26 -1.77 118.68 122.52 2kan s LEU 57 Ca 0.22 0.25 0.01 0.00 -1.03 0.00 0.00 54.13 53.57 2kan s LEU 57 Cb -0.11 -2.00 0.02 0.00 0.03 0.00 0.00 46.19 44.13 2kan s LEU 57 CO 0.14 0.28 -0.15 -0.31 0.23 0.00 0.00 176.35 176.54 2kan s TYR 58 N -0.27 2.21 -0.55 0.29 1.51 0.03 -0.15 117.35 120.41 2kan s TYR 58 Ca 0.09 -1.20 -0.20 0.00 -1.01 0.00 0.00 57.07 54.76 2kan s TYR 58 Cb -0.12 -1.60 0.07 0.00 -0.11 0.00 0.00 41.96 40.21 2kan s TYR 58 CO 0.01 -0.64 0.71 -0.47 -1.11 0.00 0.00 175.55 174.06 2kan s TYR 59 N 1.32 2.97 0.00 2.71 5.04 0.13 0.42 117.35 129.95 2kan s TYR 59 Ca 0.02 -0.63 0.00 0.00 -2.44 0.00 0.00 57.07 54.01 2kan s TYR 59 Cb -0.13 -3.82 0.00 0.00 0.35 0.00 0.00 41.96 38.35 2kan s TYR 59 CO -0.08 -1.21 0.00 0.43 -1.34 0.00 0.00 175.55 173.34 2kan n SER 60 N 6.50 0.00 -0.03 4.32 7.64 -0.58 -0.71 113.62 130.76 2kan n SER 60 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 2kan n SER 60 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 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 0.00 -1.52 3.50 0.23 0.00 -1.26 -4.91 105.19 101.23 2kan n GLY 61 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 4.48 -0.20 -0.61 1.01 0.12 -5.07 121.20 120.93 2kan s ILE 62 Ca 0.00 -0.12 -0.29 0.00 0.00 0.00 0.00 60.65 60.24 2kan s ILE 62 Cb 0.00 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.40 2kan s ILE 62 CO 0.00 0.37 1.05 -0.70 0.00 0.00 0.00 174.94 175.66 2kan s GLU 63 N 1.27 4.29 -1.26 2.79 2.12 -1.26 0.22 118.70 126.86 2kan s GLU 63 Ca 0.05 1.39 -0.17 0.00 0.36 0.00 0.00 54.97 56.60 2kan s GLU 63 Cb -0.15 -3.63 0.11 0.00 0.26 0.00 0.00 34.13 30.73 2kan s GLU 63 CO 0.04 -0.57 1.62 -0.51 -0.54 0.00 0.00 175.26 175.30 2kan s LEU 64 N 2.97 4.28 0.23 2.70 1.43 0.79 -4.69 118.68 126.39 2kan s LEU 64 Ca 0.46 -2.64 0.24 0.00 -1.03 0.00 0.00 54.13 51.16 2kan s LEU 64 Cb -0.16 -2.51 0.29 0.00 0.03 0.00 0.00 46.19 43.84 2kan s LEU 64 CO 0.09 -1.02 1.36 0.00 0.23 0.00 0.00 176.35 177.01 2kan h ALA 65 N 7.45 0.70 -1.80 4.21 0.00 -1.92 -3.42 119.26 124.49 2kan h ALA 65 Ca 0.40 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.64 2kan h ALA 65 Cb 0.87 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.49 2kan h ALA 65 CO 1.38 0.00 0.30 -0.51 0.00 0.00 0.00 179.25 180.42 2kan s ASP 66 N -5.08 6.18 0.24 0.00 1.11 -1.26 -4.90 116.67 112.96 2kan s ASP 66 Ca 0.05 -1.23 0.04 0.00 0.18 0.00 0.00 52.55 51.59 2kan s ASP 66 Cb 0.10 -2.35 0.26 0.00 1.07 0.00 0.00 42.92 42.00 2kan s ASP 66 CO 0.72 -1.25 1.57 0.44 1.18 0.00 0.00 175.17 177.83 2kan h ASP 67 N 9.35 0.30 -0.02 0.27 3.32 -1.93 -2.99 116.42 124.71 2kan h ASP 67 Ca -0.29 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2kan h ASP 67 Cb 1.08 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.54 2kan h ASP 67 CO 1.13 0.81 0.00 0.00 -1.72 0.00 0.00 179.24 179.46 2kan n TYR 68 N -3.90 0.04 -4.01 4.55 0.18 -1.26 -0.34 117.16 112.42 2kan n TYR 68 Ca -0.02 -0.02 -0.36 0.00 1.88 0.00 0.00 57.90 59.39 2kan n TYR 68 Cb 0.60 -0.07 -0.08 0.00 -0.38 0.00 0.00 39.34 39.41 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 -1.42 3.57 0.45 -3.48 1.81 -1.13 -4.90 118.95 113.85 2kan s ARG 69 Ca 0.01 -0.26 -0.23 0.00 -1.72 0.00 0.00 55.73 53.53 2kan s ARG 69 Cb 0.01 -3.14 -0.08 0.00 -0.45 0.00 0.00 34.95 31.30 2kan s ARG 69 CO 0.01 0.57 1.12 -0.80 -0.68 0.00 0.00 175.30 175.52 2kan s ASN 70 N -0.45 6.33 0.19 0.23 -0.87 -1.26 -0.39 114.94 118.72 2kan s ASN 70 Ca 0.11 2.20 -0.11 0.00 -1.57 0.00 0.00 52.86 53.48 2kan s ASN 70 Cb -0.12 -2.59 0.12 0.00 -0.02 0.00 0.00 41.25 38.64 2kan s ASN 70 CO 0.02 -0.80 1.81 -0.07 -2.57 0.00 0.00 177.10 175.48 2kan h LEU 71 N 2.10 0.86 -1.99 0.60 3.38 -0.95 -2.18 115.31 117.13 2kan h LEU 71 Ca -0.49 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.37 2kan h LEU 71 Cb 1.24 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 2kan h LEU 71 CO 0.61 0.71 -0.05 -0.55 0.09 0.00 0.00 178.44 179.24 2kan h ASN 72 N 0.94 0.00 -0.36 -0.43 -1.07 -1.39 -1.93 115.58 111.33 2kan h ASN 72 Ca 0.24 0.00 -0.09 0.00 0.07 0.00 0.00 56.30 56.52 2kan h ASN 72 Cb 0.04 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.27 2kan h ASN 72 CO -0.04 0.05 -0.10 -0.33 0.07 0.00 0.00 177.43 177.08 2kan h GLU 73 N 0.00 0.80 0.00 4.14 4.39 -1.69 -1.88 114.58 120.34 2kan h GLU 73 Ca -0.00 -0.26 -0.04 0.00 0.34 0.00 0.00 59.36 59.40 2kan h GLU 73 Cb 0.09 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 2kan h GLU 73 CO 0.01 0.87 -0.18 1.88 -1.16 0.00 0.00 179.01 180.43 2kan h TYR 74 N 0.73 0.00 0.00 4.33 0.05 -1.37 -3.46 116.97 117.25 2kan h TYR 74 Ca 0.12 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.90 2kan h TYR 74 Cb 0.59 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.33 2kan h TYR 74 CO 0.03 0.18 0.00 0.41 -1.05 0.00 0.00 178.16 177.73 2kan n GLY 75 N 0.02 1.13 3.64 3.88 0.00 -0.71 -5.06 105.19 108.10 2kan n GLY 75 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 3.58 0.17 -0.61 1.01 -0.79 -4.99 121.20 117.57 2kan s ILE 76 Ca 0.00 0.68 0.03 0.00 0.00 0.00 0.00 60.65 61.35 2kan s ILE 76 Cb 0.00 -3.54 0.03 0.00 0.01 0.00 0.00 42.46 38.96 2kan s ILE 76 CO 0.00 -0.17 0.22 1.07 0.00 0.00 0.00 174.94 176.05 2kan n THR 77 N 6.11 0.00 -2.17 2.92 5.66 -1.26 -4.36 114.28 121.18 2kan n THR 77 Ca 0.19 -0.57 -0.32 0.00 -3.05 0.00 0.00 64.05 60.29 2kan n THR 77 Cb 0.44 -0.79 -0.01 0.00 -1.55 0.00 0.00 70.33 68.43 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 -2.75 3.55 -1.37 1.09 2.12 -1.26 -3.64 118.70 116.44 2kan s GLU 78 Ca 0.16 1.10 -0.01 0.00 0.36 0.00 0.00 54.97 56.59 2kan s GLU 78 Cb -0.01 -2.07 0.00 0.00 0.26 0.00 0.00 34.13 32.31 2kan s GLU 78 CO 0.10 -0.61 0.12 1.19 -0.54 0.00 0.00 175.26 175.52 2kan n PHE 79 N -1.89 -0.98 -2.22 5.30 3.72 -0.36 -4.92 117.46 116.12 2kan n PHE 79 Ca 0.08 0.10 -0.26 0.00 -0.05 0.00 0.00 57.45 57.32 2kan n PHE 79 Cb 0.53 -3.46 0.09 0.00 -0.94 0.00 0.00 39.48 35.70 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 -2.38 4.50 -0.24 4.37 1.04 -1.17 -4.87 113.70 114.95 2kan s SER 80 Ca 0.06 0.31 0.02 0.00 0.48 0.00 0.00 55.95 56.82 2kan s SER 80 Cb -0.03 -0.84 0.05 0.00 0.10 0.00 0.00 66.02 65.30 2kan s SER 80 CO 0.07 -1.80 -0.12 -1.61 0.98 0.00 0.00 173.24 170.76 2kan s GLU 81 N -5.32 2.47 -0.38 4.02 2.02 -1.26 -0.71 118.70 119.53 2kan s GLU 81 Ca 0.63 -1.20 -0.09 0.00 0.02 0.00 0.00 54.97 54.34 2kan s GLU 81 Cb -0.09 -2.83 0.05 0.00 0.10 0.00 0.00 34.13 31.35 2kan s GLU 81 CO 0.46 -0.47 0.19 0.42 0.02 0.00 0.00 175.26 175.87 2kan s ILE 82 N 1.17 4.20 -0.21 -1.63 1.09 0.45 -1.53 121.20 124.74 2kan s ILE 82 Ca -0.05 -1.12 -0.22 0.00 -1.10 0.00 0.00 60.65 58.17 2kan s ILE 82 Cb -0.18 -3.43 -0.02 0.00 -1.06 0.00 0.00 42.46 37.78 2kan s ILE 82 CO -0.07 -0.30 0.69 -0.69 -0.10 0.00 0.00 174.94 174.48 2kan s VAL 83 N 1.46 4.96 -0.52 2.92 1.01 0.17 -0.90 120.40 129.50 2kan s VAL 83 Ca 0.01 1.31 -0.18 0.00 0.00 0.00 0.00 61.98 63.11 2kan s VAL 83 Cb -0.20 -4.00 0.07 0.00 0.00 0.00 0.00 36.38 32.25 2kan s VAL 83 CO 0.04 0.05 0.60 -0.69 0.00 0.00 0.00 175.10 175.10 2kan s VAL 84 N 2.25 4.93 -0.25 2.92 1.01 0.11 -0.79 120.40 130.58 2kan s VAL 84 Ca 0.31 -0.74 -0.15 0.00 0.00 0.00 0.00 61.98 61.39 2kan s VAL 84 Cb -0.16 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 2kan s VAL 84 CO 0.10 -0.84 0.38 -0.36 0.00 0.00 0.00 175.10 174.37 2kan s PHE 85 N 2.44 3.29 -0.13 5.22 0.08 -0.73 -4.31 117.98 123.84 2kan s PHE 85 Ca 0.12 0.48 -0.22 0.00 0.12 0.00 0.00 56.93 57.42 2kan s PHE 85 Cb -0.22 -2.55 -0.03 0.00 -0.57 0.00 0.00 43.02 39.65 2kan s PHE 85 CO 0.09 -0.15 0.68 -0.51 -0.10 0.00 0.00 175.22 175.24 2kan s LEU 86 N 1.80 4.23 0.02 -0.37 1.43 -1.26 -0.84 118.68 123.69 2kan s LEU 86 Ca 0.16 1.03 0.04 0.00 -1.03 0.00 0.00 54.13 54.34 2kan s LEU 86 Cb -0.15 -3.01 -0.03 0.00 0.03 0.00 0.00 46.19 43.02 2kan s LEU 86 CO 0.09 -0.21 -0.09 -0.54 0.23 0.00 0.00 176.35 175.83 2kan s LYS 87 N 1.40 2.41 -1.31 1.70 1.02 0.62 -4.52 119.74 121.05 2kan s LYS 87 Ca 0.34 -0.81 0.00 0.00 0.02 0.00 0.00 55.97 55.52 2kan s LYS 87 Cb -0.17 -2.41 0.00 0.00 -0.52 0.00 0.00 37.83 34.73 2kan s LYS 87 CO 0.14 0.58 0.00 0.43 -0.92 0.00 0.00 175.35 175.58 2kan n SER 88 N 1.46 -4.53 -4.60 2.83 7.64 -1.26 -4.72 113.62 110.44 2kan n SER 88 Ca -0.15 0.04 -0.37 0.00 1.01 0.00 0.00 58.87 59.40 2kan n SER 88 Cb 0.52 -3.63 -0.11 0.00 -1.01 0.00 0.00 64.21 59.99 2kan n SER 88 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2kan s ILE 89 N -2.71 5.11 -0.37 0.44 -4.36 -1.26 -5.05 121.20 113.00 2kan s ILE 89 Ca 0.00 0.10 -0.09 0.00 -0.26 0.00 0.00 60.65 60.40 2kan s ILE 89 Cb 0.00 -3.40 0.04 0.00 1.25 0.00 0.00 42.46 40.36 2kan s ILE 89 CO 0.00 0.32 0.17 0.20 0.24 0.00 0.00 174.94 175.88 2kan s ASN 90 N 1.31 5.55 -1.00 4.36 0.01 -1.26 -5.02 114.94 118.89 2kan s ASN 90 Ca 0.07 -1.15 -0.23 0.00 -0.71 0.00 0.00 52.86 50.84 2kan s ASN 90 Cb -0.14 -1.95 -0.00 0.00 0.41 0.00 0.00 41.25 39.56 2kan s ASN 90 CO 0.06 -0.39 1.72 -0.60 -1.51 0.00 0.00 177.10 176.39 2kan s ARG 91 N 1.47 3.08 0.09 -0.60 6.06 -1.26 -4.94 118.95 122.86 2kan s ARG 91 Ca 0.01 -0.82 -0.30 0.00 -2.50 0.00 0.00 55.73 52.11 2kan s ARG 91 Cb -0.20 -5.23 -0.06 0.00 0.06 0.00 0.00 34.95 29.52 2kan s ARG 91 CO 0.04 -2.86 1.11 0.00 -2.50 0.00 0.00 175.30 171.10 2kan s ALA 92 N 7.61 3.33 0.46 6.12 0.00 -1.26 -5.05 121.76 132.97 2kan s ALA 92 Ca 0.59 0.76 0.08 0.00 0.00 0.00 0.00 51.96 53.39 2kan s ALA 92 Cb -0.03 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.73 2kan s ALA 92 CO -0.03 -0.29 0.52 0.15 0.00 0.00 0.00 175.76 176.11 2kan s LYS 93 N 0.48 2.57 0.00 0.00 3.01 -1.26 -5.34 119.74 119.20 2kan s LYS 93 Ca 0.53 -1.50 0.00 0.00 -1.01 0.00 0.00 55.97 54.00 2kan s LYS 93 Cb -0.28 -2.53 0.00 0.00 -1.01 0.00 0.00 37.83 34.01 2kan s LYS 93 CO 0.31 -0.38 0.20 -0.25 0.51 0.00 0.00 175.35 175.74