#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 0.15 -0.19 3.17 0.00 -1.26 -5.10 107.32 104.09 2kan s GLY 2 Ca 0.00 -0.74 -0.03 0.00 0.00 0.00 0.00 44.72 43.95 2kan s GLY 2 CO 0.00 2.42 0.05 0.30 0.00 0.00 0.00 173.10 175.88 2kan s HIS 3 N 2.11 0.82 -0.54 1.90 3.76 -1.26 -4.94 115.29 117.15 2kan s HIS 3 Ca 0.10 -0.74 0.05 0.00 -0.15 0.00 0.00 55.06 54.33 2kan s HIS 3 Cb -0.15 -0.95 0.12 0.00 1.11 0.00 0.00 32.58 32.70 2kan s HIS 3 CO -0.30 -0.59 0.98 0.72 -0.85 0.00 0.00 174.74 174.70 2kan n HIS 4 N 5.11 0.16 -4.25 1.40 -0.00 -1.26 -4.98 115.22 111.39 2kan n HIS 4 Ca -0.08 -0.34 -0.25 0.00 -0.00 0.00 0.00 57.72 57.04 2kan n HIS 4 Cb 0.47 -0.03 -0.17 0.00 -0.00 0.00 0.00 29.99 30.27 2kan n HIS 4 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kan s HIS 5 N -0.83 1.44 -0.09 4.41 2.46 -1.26 -5.13 115.29 116.30 2kan s HIS 5 Ca 0.10 -0.62 -0.15 0.00 0.47 0.00 0.00 55.06 54.86 2kan s HIS 5 Cb 0.06 -1.13 0.03 0.00 -0.13 0.00 0.00 32.58 31.41 2kan s HIS 5 CO 0.08 -0.39 0.37 -3.38 -2.47 0.00 0.00 174.74 168.95 2kan s HIS 6 N 1.16 -0.35 -0.19 3.88 -0.00 -1.26 -5.06 115.29 113.47 2kan s HIS 6 Ca -0.05 0.77 -0.06 0.00 -0.00 0.00 0.00 55.06 55.71 2kan s HIS 6 Cb -0.14 0.14 -0.21 0.00 -0.00 0.00 0.00 32.58 32.37 2kan s HIS 6 CO -0.02 -0.29 0.08 0.72 -0.00 0.00 0.00 174.74 175.23 2kan n HIS 7 N 2.19 0.69 -4.06 0.38 8.25 -1.26 -5.04 115.22 116.38 2kan n HIS 7 Ca -0.16 0.17 -0.09 0.00 -0.26 0.00 0.00 57.72 57.38 2kan n HIS 7 Cb 0.57 -1.09 -0.03 0.00 1.12 0.00 0.00 29.99 30.56 2kan n HIS 7 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kan n HIS 8 N -3.56 -0.49 -3.56 4.41 -0.00 -1.26 -5.13 115.22 105.63 2kan n HIS 8 Ca -0.39 -1.26 -0.29 0.00 -0.00 0.00 0.00 57.72 55.78 2kan n HIS 8 Cb 0.98 0.16 -0.13 0.00 -0.00 0.00 0.00 29.99 31.00 2kan n HIS 8 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 2kan s SER 9 N -2.06 3.30 0.06 0.41 1.04 -1.26 -4.96 113.70 110.23 2kan s SER 9 Ca 0.17 -2.17 -0.17 0.00 0.48 0.00 0.00 55.95 54.27 2kan s SER 9 Cb 0.01 -0.60 -0.15 0.00 0.10 0.00 0.00 66.02 65.37 2kan s SER 9 CO 0.12 -0.32 1.28 -0.74 0.98 0.00 0.00 173.24 174.57 2kan h HIS 10 N 7.17 0.73 -2.47 5.02 -0.00 -2.03 -3.36 115.15 120.22 2kan h HIS 10 Ca -0.00 -0.29 -0.61 0.00 -0.00 0.00 0.00 60.37 59.47 2kan h HIS 10 Cb 0.97 -0.13 -0.13 0.00 -0.00 0.00 0.00 27.41 28.12 2kan h HIS 10 CO 0.43 1.05 0.75 0.00 -0.00 0.00 0.00 177.93 180.16 2kan s ALA 11 N -3.88 3.03 -1.24 5.26 0.00 -1.26 -4.96 121.76 118.71 2kan s ALA 11 Ca -0.13 -1.84 -0.20 0.00 0.00 0.00 0.00 51.96 49.79 2kan s ALA 11 Cb 0.06 -4.01 -0.01 0.00 0.00 0.00 0.00 23.12 19.16 2kan s ALA 11 CO 0.82 -2.97 1.86 0.00 0.00 0.00 0.00 175.76 175.48 2kan n ALA 12 N 8.06 3.03 -2.58 0.00 0.00 -1.26 -4.91 120.51 122.86 2kan n ALA 12 Ca 0.03 -3.50 -0.40 0.00 0.00 0.00 0.00 53.44 49.57 2kan n ALA 12 Cb 0.47 -3.56 -0.09 0.00 0.00 0.00 0.00 19.45 16.27 2kan n ALA 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kan s VAL 13 N 6.79 5.19 -0.20 0.00 0.11 -1.26 -5.05 120.40 125.98 2kan s VAL 13 Ca 0.59 0.27 -0.15 0.00 -2.93 0.00 0.00 61.98 59.77 2kan s VAL 13 Cb 0.04 -3.73 -0.04 0.00 -1.53 0.00 0.00 36.38 31.12 2kan s VAL 13 CO 0.09 0.06 0.35 -0.13 -3.33 0.00 0.00 175.10 172.14 2kan s ARG 14 N 2.00 4.17 0.30 1.54 1.81 -1.26 -5.05 118.95 122.46 2kan s ARG 14 Ca 0.12 0.13 -0.29 0.00 -1.72 0.00 0.00 55.73 53.97 2kan s ARG 14 Cb -0.16 -3.52 -0.10 0.00 -0.45 0.00 0.00 34.95 30.72 2kan s ARG 14 CO 0.11 0.01 1.19 0.15 -0.68 0.00 0.00 175.30 176.08 2kan s LYS 15 N 1.17 4.52 0.15 3.54 -0.14 -1.26 -4.61 119.74 123.10 2kan s LYS 15 Ca 0.17 1.98 -0.18 0.00 -1.36 0.00 0.00 55.97 56.58 2kan s LYS 15 Cb -0.14 -3.14 -0.07 0.00 -1.68 0.00 0.00 37.83 32.79 2kan s LYS 15 CO 0.07 0.03 0.62 0.96 -0.76 0.00 0.00 175.35 176.28 2kan s ILE 16 N -1.11 4.70 -0.58 2.17 -4.36 0.20 -4.78 121.20 117.44 2kan s ILE 16 Ca 0.47 1.15 -0.19 0.00 -0.26 0.00 0.00 60.65 61.81 2kan s ILE 16 Cb -0.35 -3.85 0.09 0.00 1.25 0.00 0.00 42.46 39.60 2kan s ILE 16 CO 0.46 0.35 0.70 -1.00 0.24 0.00 0.00 174.94 175.69 2kan s HIS 17 N -1.35 2.99 0.20 1.37 3.76 -1.26 -1.66 115.29 119.34 2kan s HIS 17 Ca 0.36 -0.85 -0.12 0.00 -0.15 0.00 0.00 55.06 54.31 2kan s HIS 17 Cb -0.17 -3.93 -0.07 0.00 1.11 0.00 0.00 32.58 29.51 2kan s HIS 17 CO 0.20 -1.26 0.56 0.14 -0.85 0.00 0.00 174.74 173.53 2kan s VAL 18 N 2.76 4.89 -0.43 -0.90 -7.23 -0.27 -0.12 120.40 119.10 2kan s VAL 18 Ca 0.13 0.64 -0.17 0.00 -1.81 0.00 0.00 61.98 60.77 2kan s VAL 18 Cb -0.23 -3.66 0.03 0.00 0.56 0.00 0.00 36.38 33.08 2kan s VAL 18 CO 0.08 0.05 0.45 -0.89 -0.31 0.00 0.00 175.10 174.48 2kan s THR 19 N -1.69 5.07 -0.38 5.32 2.01 0.82 -1.44 115.64 125.35 2kan s THR 19 Ca 0.44 -0.38 -0.16 0.00 0.31 0.00 0.00 61.69 61.90 2kan s THR 19 Cb -0.13 -4.07 0.00 0.00 0.01 0.00 0.00 72.50 68.32 2kan s THR 19 CO 0.20 -0.46 0.38 -0.69 -0.69 0.00 0.00 174.62 173.36 2kan s VAL 20 N 2.17 5.15 -0.40 3.82 1.01 0.48 0.18 120.40 132.80 2kan s VAL 20 Ca 0.12 -0.18 -0.09 0.00 0.00 0.00 0.00 61.98 61.84 2kan s VAL 20 Cb -0.17 -3.92 0.07 0.00 0.00 0.00 0.00 36.38 32.36 2kan s VAL 20 CO 0.13 -0.25 0.22 -0.54 0.00 0.00 0.00 175.10 174.67 2kan s LYS 21 N 2.03 2.60 0.38 2.72 1.02 0.38 -1.49 119.74 127.39 2kan s LYS 21 Ca 0.11 -1.39 -0.01 0.00 0.02 0.00 0.00 55.97 54.71 2kan s LYS 21 Cb -0.17 -3.71 -0.03 0.00 -0.52 0.00 0.00 37.83 33.40 2kan s LYS 21 CO 0.12 -0.88 0.61 -0.06 -0.92 0.00 0.00 175.35 174.22 2kan s PHE 22 N 1.42 3.49 0.39 3.18 0.40 0.89 -0.22 117.98 127.53 2kan s PHE 22 Ca 0.02 0.43 0.38 0.00 -0.60 0.00 0.00 56.93 57.17 2kan s PHE 22 Cb -0.22 -2.02 2.01 0.00 0.51 0.00 0.00 43.02 43.30 2kan s PHE 22 CO 0.02 -0.01 2.17 -1.35 0.70 0.00 0.00 175.22 176.76 2kan h PRO 23 N 0.61 0.00 0.00 0.24 0.11 -1.99 -2.94 132.00 128.04 2kan h PRO 23 Ca -0.49 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.36 2kan h PRO 23 Cb 1.22 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.28 2kan h PRO 23 CO 0.61 0.00 -2.11 0.43 -0.21 0.00 0.00 178.00 176.72 2kan n SER 24 N -2.91 0.83 -3.64 -2.05 7.64 -1.26 -5.06 113.62 107.17 2kan n SER 24 Ca -0.02 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.78 2kan n SER 24 Cb 0.11 1.06 -0.02 0.00 -1.01 0.00 0.00 64.21 64.35 2kan n SER 24 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2kan s LYS 25 N -2.54 1.29 -0.03 1.43 -2.85 -1.11 -5.17 119.74 110.77 2kan s LYS 25 Ca -0.08 -0.62 0.04 0.00 -1.00 0.00 0.00 55.97 54.31 2kan s LYS 25 Cb 0.06 0.50 -0.00 0.00 -2.06 0.00 0.00 37.83 36.33 2kan s LYS 25 CO 0.70 -0.58 -0.13 -1.14 0.10 0.00 0.00 175.35 174.30 2kan s GLN 26 N -3.54 1.28 0.19 1.78 0.74 -1.26 -0.08 119.66 118.76 2kan s GLN 26 Ca 0.07 -0.45 -0.10 0.00 0.05 0.00 0.00 55.36 54.93 2kan s GLN 26 Cb -0.02 -1.16 -0.01 0.00 1.10 0.00 0.00 33.01 32.92 2kan s GLN 26 CO -0.03 0.20 0.34 -0.59 -0.55 0.00 0.00 175.29 174.66 2kan s PHE 27 N 0.02 0.42 -0.09 1.67 -0.71 -0.55 -5.01 117.98 113.73 2kan s PHE 27 Ca -0.01 -0.77 -0.04 0.00 -1.04 0.00 0.00 56.93 55.07 2kan s PHE 27 Cb -0.09 -0.00 -0.04 0.00 -1.21 0.00 0.00 43.02 41.68 2kan s PHE 27 CO 0.01 -0.80 0.07 0.99 -1.34 0.00 0.00 175.22 174.14 2kan s THR 28 N -3.99 4.84 -0.00 -4.49 2.01 -1.26 -0.39 115.64 112.36 2kan s THR 28 Ca 0.20 -0.08 0.06 0.00 0.31 0.00 0.00 61.69 62.18 2kan s THR 28 Cb 0.02 -3.09 -0.02 0.00 0.01 0.00 0.00 72.50 69.43 2kan s THR 28 CO 0.03 0.58 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.68 2kan s VAL 29 N -0.98 1.42 -0.26 3.82 1.01 -0.52 -4.95 120.40 119.94 2kan s VAL 29 Ca 0.15 -0.82 -0.18 0.00 0.00 0.00 0.00 61.98 61.13 2kan s VAL 29 Cb -0.12 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 2kan s VAL 29 CO 0.04 0.36 0.52 -1.61 0.00 0.00 0.00 175.10 174.41 2kan s GLU 30 N -0.54 4.07 0.12 2.72 2.02 -1.26 -1.11 118.70 124.72 2kan s GLU 30 Ca 0.07 0.34 0.03 0.00 0.02 0.00 0.00 54.97 55.43 2kan s GLU 30 Cb -0.07 -3.65 -0.04 0.00 0.10 0.00 0.00 34.13 30.47 2kan s GLU 30 CO -0.00 -0.35 -0.09 0.14 0.02 0.00 0.00 175.26 174.97 2kan s VAL 31 N 2.32 0.96 0.54 2.63 -7.23 -0.67 -4.95 120.40 114.00 2kan s VAL 31 Ca 0.22 -1.89 -0.18 0.00 -1.81 0.00 0.00 61.98 58.32 2kan s VAL 31 Cb -0.16 -1.64 -0.06 0.00 0.56 0.00 0.00 36.38 35.08 2kan s VAL 31 CO 0.09 -0.72 1.03 -0.62 -0.31 0.00 0.00 175.10 174.57 2kan s ASP 32 N -2.89 6.17 0.43 4.85 -1.08 -1.26 0.60 116.67 123.49 2kan s ASP 32 Ca 0.12 1.81 0.23 0.00 -0.52 0.00 0.00 52.55 54.19 2kan s ASP 32 Cb 0.01 -2.54 0.86 0.00 -1.46 0.00 0.00 42.92 39.80 2kan s ASP 32 CO -0.01 -0.90 1.80 0.08 0.52 0.00 0.00 175.17 176.66 2kan h ARG 33 N 0.97 0.00 -0.56 4.34 0.11 -1.93 -2.41 114.38 114.90 2kan h ARG 33 Ca -0.48 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.60 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 0.59 0.23 0.00 0.25 0.10 0.00 0.00 179.97 181.14 2kan n THR 34 N -3.37 1.65 -2.15 0.08 -2.24 -1.26 -3.02 114.28 103.97 2kan n THR 34 Ca 0.00 -1.22 -0.36 0.00 -2.27 0.00 0.00 64.05 60.20 2kan n THR 34 Cb 0.45 0.19 0.01 0.00 -2.10 0.00 0.00 70.33 68.88 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 -1.71 3.29 0.48 -0.78 2.12 -0.91 -4.63 118.70 116.56 2kan s GLU 35 Ca 0.45 1.74 -0.09 0.00 0.36 0.00 0.00 54.97 57.43 2kan s GLU 35 Cb 0.29 -2.06 -0.05 0.00 0.26 0.00 0.00 34.13 32.56 2kan s GLU 35 CO 0.22 -0.93 0.84 0.95 -0.54 0.00 0.00 175.26 175.81 2kan s THR 36 N -1.65 4.79 0.57 -1.70 -4.23 -1.26 0.16 115.64 112.32 2kan s THR 36 Ca 0.73 0.57 0.27 0.00 -1.18 0.00 0.00 61.69 62.08 2kan s THR 36 Cb -0.28 -3.80 0.33 0.00 1.34 0.00 0.00 72.50 70.09 2kan s THR 36 CO 0.31 -0.77 2.22 0.58 -0.54 0.00 0.00 174.62 176.43 2kan h VAL 37 N 0.52 0.62 -0.13 2.29 2.07 -0.45 -1.49 116.25 119.68 2kan h VAL 37 Ca -0.46 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 2kan h VAL 37 Cb 1.19 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 2kan h VAL 37 CO 0.62 0.01 0.04 -1.28 0.02 0.00 0.00 177.57 176.99 2kan h SER 38 N 0.00 0.18 1.52 0.57 0.87 -1.23 -1.60 113.55 113.86 2kan h SER 38 Ca -0.00 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.34 2kan h SER 38 Cb 0.03 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 61.93 2kan h SER 38 CO 0.00 0.33 -0.13 0.28 -0.53 0.00 0.00 176.83 176.78 2kan h SER 39 N 0.03 0.00 0.30 6.23 0.02 -1.68 -1.40 113.55 117.04 2kan h SER 39 Ca 0.04 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2kan h SER 39 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 2kan h SER 39 CO -0.00 0.13 -0.14 0.25 -1.14 0.00 0.00 176.83 175.92 2kan h LEU 40 N 0.00 -0.34 -1.32 5.07 5.85 -1.07 -2.70 115.31 120.81 2kan h LEU 40 Ca -0.00 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 2kan h LEU 40 Cb 0.92 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 2kan h LEU 40 CO 0.02 -0.02 0.16 0.11 -0.34 0.00 0.00 178.44 178.36 2kan h LYS 41 N -0.67 0.62 0.13 1.25 1.57 -1.22 -2.73 116.57 115.51 2kan h LYS 41 Ca -0.04 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.66 2kan h LYS 41 Cb 0.47 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 2kan h LYS 41 CO 0.07 0.53 -0.21 0.22 -0.57 0.00 0.00 179.45 179.48 2kan h ASP 42 N 0.62 -0.59 0.19 0.86 3.58 -1.16 -0.17 116.42 119.75 2kan h ASP 42 Ca 0.15 0.07 -0.11 0.00 0.42 0.00 0.00 57.03 57.55 2kan h ASP 42 Cb 0.15 0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 2kan h ASP 42 CO -0.01 -0.30 -0.42 0.11 -2.88 0.00 0.00 179.24 175.74 2kan h LYS 43 N -0.41 0.30 -0.69 0.28 1.57 -1.38 -1.73 116.57 114.51 2kan h LYS 43 Ca 0.02 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 2kan h LYS 43 Cb 0.42 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 2kan h LYS 43 CO -0.11 0.68 0.33 0.82 -0.57 0.00 0.00 179.45 180.60 2kan h ILE 44 N 0.25 1.22 0.00 1.86 2.04 -1.16 0.11 117.51 121.84 2kan h ILE 44 Ca 0.02 -0.63 -0.10 0.00 1.00 0.00 0.00 64.86 65.15 2kan h ILE 44 Cb 0.85 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 2kan h ILE 44 CO 0.07 0.26 -0.49 -0.74 0.00 0.00 0.00 178.15 177.25 2kan h HIS 45 N 0.98 0.00 -0.13 1.37 2.76 -0.54 0.26 115.15 119.85 2kan h HIS 45 Ca 0.24 0.00 -0.23 0.00 -2.20 0.00 0.00 60.37 58.19 2kan h HIS 45 Cb 0.10 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.07 2kan h HIS 45 CO 0.01 0.49 -0.80 0.82 -1.30 0.00 0.00 177.93 177.15 2kan h ILE 46 N 0.00 1.29 0.01 6.26 2.04 -0.41 -3.32 117.51 123.36 2kan h ILE 46 Ca -0.00 -2.02 -0.06 0.00 1.00 0.00 0.00 64.86 63.78 2kan h ILE 46 Cb 0.88 2.03 0.01 0.00 -0.74 0.00 0.00 36.82 38.99 2kan h ILE 46 CO 0.06 0.64 -0.23 0.58 0.00 0.00 0.00 178.15 179.19 2kan h VAL 47 N 0.51 1.57 -3.62 1.67 2.07 -0.71 -3.47 116.25 114.26 2kan h VAL 47 Ca -0.06 -2.00 -0.01 0.00 0.82 0.00 0.00 66.70 65.45 2kan h VAL 47 Cb 1.43 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 34.05 2kan h VAL 47 CO 0.16 0.54 0.00 -0.62 0.02 0.00 0.00 177.57 177.68 2kan n GLU 48 N -4.51 0.76 -0.09 1.57 -0.58 0.90 -5.06 120.64 113.62 2kan n GLU 48 Ca -0.10 -0.08 -0.12 0.00 -0.42 0.00 0.00 57.16 56.44 2kan n GLU 48 Cb 0.51 -0.01 -0.08 0.00 -0.57 0.00 0.00 31.44 31.28 2kan n GLU 48 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2kan n ASN 49 N -2.99 2.58 -4.67 1.62 2.85 -1.26 -4.72 115.26 108.67 2kan n ASN 49 Ca 0.00 -0.08 -0.54 0.00 -0.11 0.00 0.00 54.58 53.86 2kan n ASN 49 Cb 0.02 -0.29 -0.06 0.00 1.24 0.00 0.00 39.78 40.69 2kan n ASN 49 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 2kan n THR 50 N -3.05 0.25 -1.67 -0.44 -1.04 -1.26 -4.53 114.28 102.53 2kan n THR 50 Ca -0.31 -0.04 -0.38 0.00 -2.04 0.00 0.00 64.05 61.28 2kan n THR 50 Cb 0.82 -1.25 0.05 0.00 -1.82 0.00 0.00 70.33 68.14 2kan n THR 50 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2kan n PRO 51 N 4.66 1.12 -0.09 -2.82 -0.02 -1.26 -4.61 135.00 131.97 2kan n PRO 51 Ca 0.23 0.43 0.02 0.00 -2.02 0.00 0.00 63.50 62.15 2kan n PRO 51 Cb 0.19 -2.34 0.32 0.00 -0.02 0.00 0.00 33.50 31.65 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 0.71 1.16 0.00 4.25 2.04 -1.90 -1.75 117.51 122.02 2kan h ILE 52 Ca -0.49 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.00 2kan h ILE 52 Cb 1.35 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 2kan h ILE 52 CO 0.53 0.17 0.00 0.29 0.00 0.00 0.00 178.15 179.14 2kan n LYS 53 N -4.42 0.00 -0.01 2.37 5.02 -1.26 -3.20 118.16 116.67 2kan n LYS 53 Ca 0.05 0.04 0.09 0.00 -2.02 0.00 0.00 58.31 56.47 2kan n LYS 53 Cb 0.08 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.46 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 -1.51 0.76 -4.56 1.97 3.00 -0.68 -4.92 116.66 110.72 2kan n ARG 54 Ca 0.06 -0.11 -0.34 0.00 -0.01 0.00 0.00 57.85 57.45 2kan n ARG 54 Cb 0.31 -1.39 -0.12 0.00 0.00 0.00 0.00 32.46 31.26 2kan n ARG 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2kan s MET 55 N -3.06 3.12 -0.13 5.56 0.23 -1.11 -1.44 119.30 122.47 2kan s MET 55 Ca -0.02 -0.55 -0.02 0.00 -1.03 0.00 0.00 55.69 54.07 2kan s MET 55 Cb 0.12 -2.70 -0.02 0.00 -1.53 0.00 0.00 34.83 30.69 2kan s MET 55 CO 0.74 0.49 -0.07 -1.14 -2.03 0.00 0.00 175.02 173.00 2kan s GLN 56 N -0.32 3.36 -0.14 3.16 2.00 0.10 -4.89 119.66 122.92 2kan s GLN 56 Ca 0.05 -0.57 -0.17 0.00 -2.00 0.00 0.00 55.36 52.66 2kan s GLN 56 Cb -0.13 -2.76 -0.04 0.00 0.80 0.00 0.00 33.01 30.89 2kan s GLN 56 CO 0.02 0.34 0.44 -0.51 -0.50 0.00 0.00 175.29 175.09 2kan s LEU 57 N 0.06 4.24 -0.16 3.68 1.43 -1.26 -1.67 118.68 125.00 2kan s LEU 57 Ca -0.02 0.72 0.01 0.00 -1.03 0.00 0.00 54.13 53.81 2kan s LEU 57 Cb -0.14 -2.63 0.02 0.00 0.03 0.00 0.00 46.19 43.47 2kan s LEU 57 CO 0.03 -0.01 -0.18 -0.31 0.23 0.00 0.00 176.35 176.11 2kan s TYR 58 N 0.78 2.56 -0.59 0.29 1.51 0.12 -0.81 117.35 121.20 2kan s TYR 58 Ca 0.24 -1.46 -0.21 0.00 -1.01 0.00 0.00 57.07 54.63 2kan s TYR 58 Cb -0.15 -1.79 0.07 0.00 -0.11 0.00 0.00 41.96 39.98 2kan s TYR 58 CO 0.09 -0.73 0.83 -0.47 -1.11 0.00 0.00 175.55 174.15 2kan s TYR 59 N 1.27 2.85 -1.51 2.71 5.04 0.18 0.12 117.35 128.00 2kan s TYR 59 Ca 0.03 -0.56 0.00 0.00 -2.44 0.00 0.00 57.07 54.10 2kan s TYR 59 Cb -0.13 -4.03 0.00 0.00 0.35 0.00 0.00 41.96 38.14 2kan s TYR 59 CO -0.10 -1.39 0.00 0.43 -1.34 0.00 0.00 175.55 173.15 2kan n SER 60 N 7.01 -5.57 0.00 4.32 7.64 -0.35 -0.32 113.62 126.36 2kan n SER 60 Ca -0.05 0.35 0.00 0.00 1.01 0.00 0.00 58.87 60.18 2kan n SER 60 Cb 0.45 -4.32 0.00 0.00 -1.01 0.00 0.00 64.21 59.33 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 -0.10 2.03 3.69 0.23 0.00 -1.26 -5.09 105.19 104.70 2kan n GLY 61 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.18 4.81 -0.24 -0.61 1.01 0.57 -4.97 121.20 119.58 2kan s ILE 62 Ca 0.00 2.05 -0.29 0.00 0.00 0.00 0.00 60.65 62.41 2kan s ILE 62 Cb 0.00 -4.32 0.00 0.00 0.01 0.00 0.00 42.46 38.16 2kan s ILE 62 CO 0.00 0.05 1.12 -0.70 0.00 0.00 0.00 174.94 175.41 2kan s GLU 63 N 1.74 4.19 -1.02 2.79 2.12 -1.26 0.47 118.70 127.72 2kan s GLU 63 Ca 0.49 1.37 -0.21 0.00 0.36 0.00 0.00 54.97 56.99 2kan s GLU 63 Cb -0.19 -3.71 0.08 0.00 0.26 0.00 0.00 34.13 30.57 2kan s GLU 63 CO 0.21 -0.74 1.37 -0.51 -0.54 0.00 0.00 175.26 175.05 2kan s LEU 64 N 3.46 4.12 -0.06 2.70 1.43 0.01 -4.79 118.68 125.55 2kan s LEU 64 Ca 0.48 -1.81 -0.07 0.00 -1.03 0.00 0.00 54.13 51.70 2kan s LEU 64 Cb -0.16 -2.51 -0.28 0.00 0.03 0.00 0.00 46.19 43.27 2kan s LEU 64 CO 0.11 -1.30 0.62 0.00 0.23 0.00 0.00 176.35 176.02 2kan h ALA 65 N 9.15 0.30 -1.59 4.21 0.00 -1.92 -3.43 119.26 125.98 2kan h ALA 65 Ca 0.21 -1.23 -0.55 0.00 0.00 0.00 0.00 54.91 53.34 2kan h ALA 65 Cb 1.00 0.50 -0.07 0.00 0.00 0.00 0.00 17.79 19.21 2kan h ALA 65 CO 1.32 1.17 1.02 -0.51 0.00 0.00 0.00 179.25 182.24 2kan s ASP 66 N -7.09 6.36 0.35 0.00 1.01 -1.26 -4.84 116.67 111.20 2kan s ASP 66 Ca -0.16 0.17 0.16 0.00 0.71 0.00 0.00 52.55 53.44 2kan s ASP 66 Cb 0.06 -2.55 0.62 0.00 1.01 0.00 0.00 42.92 42.06 2kan s ASP 66 CO 0.83 -1.55 1.72 -0.78 0.21 0.00 0.00 175.17 175.60 2kan h ASP 67 N 9.98 0.00 0.76 0.27 3.58 -1.92 -2.89 116.42 126.20 2kan h ASP 67 Ca -0.26 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.19 2kan h ASP 67 Cb 1.07 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.12 2kan h ASP 67 CO 1.18 0.43 -0.23 0.00 -2.88 0.00 0.00 179.24 177.74 2kan n TYR 68 N -3.65 0.00 -2.82 0.28 4.11 -1.26 -0.85 117.16 112.97 2kan n TYR 68 Ca -0.01 0.00 -0.32 0.00 -0.00 0.00 0.00 57.90 57.57 2kan n TYR 68 Cb 0.52 -0.38 -0.05 0.00 -0.00 0.00 0.00 39.34 39.43 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 -3.00 4.00 0.66 -3.48 0.52 -1.09 -4.82 118.95 111.74 2kan s ARG 69 Ca 0.13 0.80 -0.11 0.00 -0.52 0.00 0.00 55.73 56.03 2kan s ARG 69 Cb 0.18 -2.29 -0.01 0.00 0.52 0.00 0.00 34.95 33.35 2kan s ARG 69 CO 0.61 -0.03 1.06 -0.80 0.02 0.00 0.00 175.30 176.15 2kan s ASN 70 N -2.63 5.81 0.31 0.23 -0.87 -1.26 -0.00 114.94 116.51 2kan s ASN 70 Ca 0.57 1.35 0.06 0.00 -1.57 0.00 0.00 52.86 53.27 2kan s ASN 70 Cb -0.10 -2.28 0.49 0.00 -0.02 0.00 0.00 41.25 39.34 2kan s ASN 70 CO 0.23 -1.13 1.73 -0.07 -2.57 0.00 0.00 177.10 175.29 2kan h LEU 71 N -0.51 0.29 -1.91 0.60 3.38 -0.46 -2.54 115.31 114.16 2kan h LEU 71 Ca -0.44 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.40 2kan h LEU 71 Cb 1.22 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 2kan h LEU 71 CO 0.62 0.62 -0.11 -0.55 0.09 0.00 0.00 178.44 179.10 2kan h ASN 72 N 0.24 0.00 -0.96 -0.43 -1.07 -1.78 -0.69 115.58 110.89 2kan h ASN 72 Ca 0.03 0.00 0.10 0.00 0.07 0.00 0.00 56.30 56.50 2kan h ASN 72 Cb 0.73 0.00 -0.07 0.00 -2.07 0.00 0.00 38.32 36.90 2kan h ASN 72 CO 0.06 0.11 0.61 -0.33 0.07 0.00 0.00 177.43 177.95 2kan h GLU 73 N 0.00 0.95 -0.03 4.14 4.39 -1.80 -0.84 114.58 121.39 2kan h GLU 73 Ca -0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2kan h GLU 73 Cb 0.24 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2kan h GLU 73 CO 0.01 0.63 0.00 0.66 -1.16 0.00 0.00 179.01 179.15 2kan n TYR 74 N -4.56 0.01 -2.15 4.33 4.01 -0.68 -4.93 117.16 113.20 2kan n TYR 74 Ca 0.17 -0.01 -0.07 0.00 -0.16 0.00 0.00 57.90 57.84 2kan n TYR 74 Cb 0.31 0.00 -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 1.26 0.12 3.65 2.72 0.00 -0.32 -4.98 105.19 107.64 2kan n GLY 75 Ca 0.17 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.35 4.32 0.00 -0.61 1.01 -0.35 -4.98 121.20 118.23 2kan s ILE 76 Ca 0.01 1.58 0.00 0.00 0.00 0.00 0.00 60.65 62.24 2kan s ILE 76 Cb -0.00 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.39 2kan s ILE 76 CO 0.01 -0.21 0.00 1.07 0.00 0.00 0.00 174.94 175.81 2kan n THR 77 N 5.52 0.00 -2.42 2.92 5.66 -1.26 -4.56 114.28 120.14 2kan n THR 77 Ca 0.14 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.78 2kan n THR 77 Cb 0.45 -0.27 -0.02 0.00 -1.55 0.00 0.00 70.33 68.94 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 -1.59 3.82 -1.41 1.09 2.12 -1.26 -3.19 118.70 118.28 2kan s GLU 78 Ca 0.00 1.56 -0.03 0.00 0.36 0.00 0.00 54.97 56.86 2kan s GLU 78 Cb 0.00 -2.30 0.00 0.00 0.26 0.00 0.00 34.13 32.10 2kan s GLU 78 CO 0.00 -0.45 0.39 1.19 -0.54 0.00 0.00 175.26 175.85 2kan n PHE 79 N -0.62 -1.48 -2.63 5.30 3.72 0.83 -4.94 117.46 117.64 2kan n PHE 79 Ca 0.08 0.33 -0.41 0.00 -0.05 0.00 0.00 57.45 57.40 2kan n PHE 79 Cb 0.50 -3.94 -0.04 0.00 -0.94 0.00 0.00 39.48 35.07 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 -2.59 7.37 -0.56 4.37 1.04 -1.19 -4.82 113.70 117.32 2kan s SER 80 Ca 0.19 1.89 -0.21 0.00 0.48 0.00 0.00 55.95 58.30 2kan s SER 80 Cb -0.08 -2.59 0.06 0.00 0.10 0.00 0.00 66.02 63.51 2kan s SER 80 CO 0.24 -0.18 0.79 -0.70 0.98 0.00 0.00 173.24 174.36 2kan s GLU 81 N 0.14 3.17 -0.44 4.02 2.12 -1.26 -0.13 118.70 126.33 2kan s GLU 81 Ca 0.50 -0.75 -0.16 0.00 0.36 0.00 0.00 54.97 54.92 2kan s GLU 81 Cb -0.25 -4.13 0.04 0.00 0.26 0.00 0.00 34.13 30.04 2kan s GLU 81 CO 0.31 -1.44 0.39 0.42 -0.54 0.00 0.00 175.26 174.40 2kan s ILE 82 N 3.27 5.17 -0.22 -3.70 -1.09 0.13 -1.21 121.20 123.55 2kan s ILE 82 Ca 0.20 -0.66 -0.19 0.00 -2.23 0.00 0.00 60.65 57.78 2kan s ILE 82 Cb -0.17 -4.04 -0.03 0.00 -1.58 0.00 0.00 42.46 36.64 2kan s ILE 82 CO 0.13 -0.45 0.55 -0.69 -1.23 0.00 0.00 174.94 173.25 2kan s VAL 83 N 1.88 5.07 -0.48 2.92 1.01 0.12 -0.47 120.40 130.45 2kan s VAL 83 Ca 0.08 0.98 -0.14 0.00 0.00 0.00 0.00 61.98 62.90 2kan s VAL 83 Cb -0.20 -3.86 0.09 0.00 0.00 0.00 0.00 36.38 32.41 2kan s VAL 83 CO 0.10 0.12 0.39 -0.69 0.00 0.00 0.00 175.10 175.03 2kan s VAL 84 N 1.98 5.00 -0.11 2.92 1.01 0.70 -0.71 120.40 131.20 2kan s VAL 84 Ca 0.24 -1.25 -0.18 0.00 0.00 0.00 0.00 61.98 60.78 2kan s VAL 84 Cb -0.16 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 2kan s VAL 84 CO 0.09 -0.64 0.49 -0.36 0.00 0.00 0.00 175.10 174.68 2kan s PHE 85 N 1.58 3.53 -0.19 5.22 0.08 -0.67 -4.28 117.98 123.24 2kan s PHE 85 Ca 0.04 0.92 -0.09 0.00 0.12 0.00 0.00 56.93 57.92 2kan s PHE 85 Cb -0.25 -2.55 -0.04 0.00 -0.57 0.00 0.00 43.02 39.60 2kan s PHE 85 CO 0.05 0.19 0.10 -0.51 -0.10 0.00 0.00 175.22 174.95 2kan s LEU 86 N 0.52 3.99 -0.08 -0.37 1.43 -1.26 -0.72 118.68 122.19 2kan s LEU 86 Ca 0.26 0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 53.49 2kan s LEU 86 Cb -0.15 -2.02 -0.01 0.00 0.03 0.00 0.00 46.19 44.04 2kan s LEU 86 CO 0.11 0.17 -0.03 0.11 0.23 0.00 0.00 176.35 176.94 2kan h LYS 87 N 6.76 0.00 -1.90 1.70 1.79 -1.63 -3.47 116.57 119.81 2kan h LYS 87 Ca -0.39 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 57.92 2kan h LYS 87 Cb 1.16 0.00 -0.30 0.00 -1.58 0.00 0.00 32.23 31.51 2kan h LYS 87 CO 0.72 0.00 -0.49 -1.12 -1.08 0.00 0.00 179.45 177.48 2kan s SER 88 N -4.96 0.33 -0.60 0.86 0.01 -1.26 -5.11 113.70 102.96 2kan s SER 88 Ca -0.02 0.13 -0.22 0.00 1.31 0.00 0.00 55.95 57.15 2kan s SER 88 Cb 0.00 1.08 0.07 0.00 0.21 0.00 0.00 66.02 67.38 2kan s SER 88 CO 0.04 -0.31 0.86 0.27 0.41 0.00 0.00 173.24 174.51 2kan s ILE 89 N 2.53 4.51 0.01 1.44 -4.36 -1.26 -4.82 121.20 119.25 2kan s ILE 89 Ca 0.12 -0.35 -0.19 0.00 -0.26 0.00 0.00 60.65 59.98 2kan s ILE 89 Cb -0.15 -4.56 -0.06 0.00 1.25 0.00 0.00 42.46 38.94 2kan s ILE 89 CO -0.17 -1.23 0.55 0.54 0.24 0.00 0.00 174.94 174.87 2kan s ASN 90 N 3.33 6.95 -0.73 4.36 4.22 -1.26 -5.00 114.94 126.81 2kan s ASN 90 Ca 0.21 1.13 -0.26 0.00 -2.14 0.00 0.00 52.86 51.80 2kan s ASN 90 Cb -0.17 -2.34 -0.01 0.00 1.28 0.00 0.00 41.25 40.00 2kan s ASN 90 CO 0.12 0.18 1.75 -0.60 -2.04 0.00 0.00 177.10 176.51 2kan s ARG 91 N -0.55 2.78 -0.01 3.55 3.52 -1.26 -4.65 118.95 122.33 2kan s ARG 91 Ca 0.29 0.12 -0.08 0.00 -0.13 0.00 0.00 55.73 55.93 2kan s ARG 91 Cb -0.18 -4.58 -0.04 0.00 -1.56 0.00 0.00 34.95 28.58 2kan s ARG 91 CO 0.17 -2.74 0.61 0.00 -0.81 0.00 0.00 175.30 172.52 2kan h ALA 92 N 12.86 -0.57 -3.00 6.12 0.00 -1.95 -3.45 119.26 129.28 2kan h ALA 92 Ca -0.14 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2kan h ALA 92 Cb 1.09 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2kan h ALA 92 CO 1.24 -0.54 0.00 1.63 0.00 0.00 0.00 179.25 181.58 2kan n LYS 93 N -3.36 0.00 0.00 0.00 5.02 -1.26 -5.16 118.16 113.41 2kan n LYS 93 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 2kan n LYS 93 Cb 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.12 2kan n LYS 93 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48