#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 0.50 -0.12 -5.12 0.00 -1.26 -4.93 107.32 96.40 2kan s GLY 2 Ca 0.00 -0.89 -0.12 0.00 0.00 0.00 0.00 44.72 43.71 2kan s GLY 2 CO 0.00 -0.97 0.33 -2.38 0.00 0.00 0.00 173.10 170.09 2kan s HIS 3 N -2.11 -0.36 0.09 1.90 -3.43 -1.26 -5.12 115.29 105.00 2kan s HIS 3 Ca -0.05 0.86 -0.31 0.00 -0.80 0.00 0.00 55.06 54.76 2kan s HIS 3 Cb -0.05 0.12 -0.10 0.00 -1.43 0.00 0.00 32.58 31.13 2kan s HIS 3 CO -0.02 -0.19 1.86 -3.38 -2.00 0.00 0.00 174.74 171.00 2kan s HIS 4 N 0.07 1.90 -0.17 0.38 -0.00 -1.26 -4.97 115.29 111.23 2kan s HIS 4 Ca -0.01 -0.13 -0.08 0.00 -0.00 0.00 0.00 55.06 54.84 2kan s HIS 4 Cb -0.03 -4.18 0.07 0.00 -0.00 0.00 0.00 32.58 28.44 2kan s HIS 4 CO 0.01 -5.00 0.40 -1.58 -0.00 0.00 0.00 174.74 168.57 2kan s HIS 5 N 3.27 -0.64 0.01 0.38 5.65 -1.26 -5.16 115.29 117.54 2kan s HIS 5 Ca 0.83 1.32 0.04 0.00 0.25 0.00 0.00 55.06 57.49 2kan s HIS 5 Cb -0.44 0.26 -0.01 0.00 -1.18 0.00 0.00 32.58 31.20 2kan s HIS 5 CO 0.37 -0.37 -0.12 -1.01 -0.65 0.00 0.00 174.74 172.96 2kan s HIS 6 N 1.74 1.05 0.04 3.88 0.09 -1.26 -5.10 115.29 115.73 2kan s HIS 6 Ca -0.07 -0.25 -0.35 0.00 -0.00 0.00 0.00 55.06 54.39 2kan s HIS 6 Cb -0.09 -0.66 -0.14 0.00 -0.00 0.00 0.00 32.58 31.69 2kan s HIS 6 CO -0.12 -0.01 1.66 -2.39 -0.00 0.00 0.00 174.74 173.88 2kan n HIS 7 N 2.50 2.17 -2.55 1.40 1.44 -1.26 -4.87 115.22 114.05 2kan n HIS 7 Ca -0.15 0.25 -0.43 0.00 -2.01 0.00 0.00 57.72 55.38 2kan n HIS 7 Cb 0.56 -2.55 0.00 0.00 0.12 0.00 0.00 29.99 28.12 2kan n HIS 7 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2kan n HIS 8 N 4.49 3.99 -3.66 -1.40 -0.00 -1.26 -4.86 115.22 112.52 2kan n HIS 8 Ca 0.20 -3.04 -0.07 0.00 0.46 0.00 0.00 57.72 55.27 2kan n HIS 8 Cb 0.26 -2.17 -0.02 0.00 -0.12 0.00 0.00 29.99 27.95 2kan n HIS 8 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2kan s SER 9 N 2.20 -0.30 -0.10 0.26 0.15 -1.26 -5.16 113.70 109.49 2kan s SER 9 Ca 0.43 -0.28 0.01 0.00 0.70 0.00 0.00 55.95 56.80 2kan s SER 9 Cb 0.04 0.52 0.02 0.00 -1.71 0.00 0.00 66.02 64.90 2kan s SER 9 CO 0.00 -0.92 -0.10 -2.28 1.20 0.00 0.00 173.24 171.14 2kan s HIS 10 N -3.43 1.57 -0.01 3.44 2.46 -1.26 -5.12 115.29 112.94 2kan s HIS 10 Ca 0.09 -0.73 -0.13 0.00 0.47 0.00 0.00 55.06 54.76 2kan s HIS 10 Cb -0.02 -1.23 0.02 0.00 -0.13 0.00 0.00 32.58 31.22 2kan s HIS 10 CO -0.02 -0.45 0.26 0.00 -2.47 0.00 0.00 174.74 172.06 2kan s ALA 11 N 1.31 -0.65 -0.50 1.58 0.00 -1.26 -5.10 121.76 117.14 2kan s ALA 11 Ca -0.02 0.19 -0.27 0.00 0.00 0.00 0.00 51.96 51.86 2kan s ALA 11 Cb -0.14 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 2kan s ALA 11 CO -0.04 -0.24 1.89 0.00 0.00 0.00 0.00 175.76 177.36 2kan s ALA 12 N -1.34 2.37 -0.20 0.00 0.00 -1.26 -4.95 121.76 116.37 2kan s ALA 12 Ca -0.14 -0.26 -0.08 0.00 0.00 0.00 0.00 51.96 51.48 2kan s ALA 12 Cb -0.06 -4.20 -0.04 0.00 0.00 0.00 0.00 23.12 18.81 2kan s ALA 12 CO 0.03 -3.50 0.09 0.54 0.00 0.00 0.00 175.76 172.92 2kan s VAL 13 N 8.60 4.93 -0.46 0.00 0.11 -1.26 -5.06 120.40 127.26 2kan s VAL 13 Ca 0.75 0.02 -0.18 0.00 -2.93 0.00 0.00 61.98 59.64 2kan s VAL 13 Cb -0.16 -3.24 0.05 0.00 -1.53 0.00 0.00 36.38 31.49 2kan s VAL 13 CO 0.26 0.43 0.50 -0.13 -3.33 0.00 0.00 175.10 172.83 2kan s ARG 14 N 0.55 3.08 0.26 1.54 0.52 -1.26 -5.05 118.95 118.59 2kan s ARG 14 Ca 0.05 -0.93 -0.30 0.00 -0.52 0.00 0.00 55.73 54.03 2kan s ARG 14 Cb -0.12 -4.05 -0.09 0.00 0.52 0.00 0.00 34.95 31.20 2kan s ARG 14 CO 0.01 -1.02 1.10 0.15 0.02 0.00 0.00 175.30 175.55 2kan s LYS 15 N 2.20 4.64 0.23 3.54 3.01 -1.26 -4.67 119.74 127.43 2kan s LYS 15 Ca 0.11 1.78 -0.08 0.00 -1.01 0.00 0.00 55.97 56.78 2kan s LYS 15 Cb -0.19 -3.21 -0.07 0.00 -1.01 0.00 0.00 37.83 33.35 2kan s LYS 15 CO 0.12 0.19 0.52 0.96 0.51 0.00 0.00 175.35 177.65 2kan s ILE 16 N -0.98 4.99 -0.51 2.17 -4.36 0.71 -4.76 121.20 118.46 2kan s ILE 16 Ca 0.45 0.32 -0.21 0.00 -0.26 0.00 0.00 60.65 60.96 2kan s ILE 16 Cb -0.31 -3.64 0.05 0.00 1.25 0.00 0.00 42.46 39.80 2kan s ILE 16 CO 0.40 -0.10 0.71 -1.00 0.24 0.00 0.00 174.94 175.18 2kan s HIS 17 N -1.85 2.98 -0.11 1.37 3.76 -1.26 -1.63 115.29 118.56 2kan s HIS 17 Ca 0.46 -0.32 -0.07 0.00 -0.15 0.00 0.00 55.06 54.98 2kan s HIS 17 Cb -0.11 -3.65 -0.04 0.00 1.11 0.00 0.00 32.58 29.89 2kan s HIS 17 CO 0.23 -1.09 0.14 0.14 -0.85 0.00 0.00 174.74 173.31 2kan s VAL 18 N 3.01 5.49 -0.43 -0.90 -7.23 -0.30 -1.94 120.40 118.10 2kan s VAL 18 Ca 0.20 0.18 -0.19 0.00 -1.81 0.00 0.00 61.98 60.35 2kan s VAL 18 Cb -0.17 -3.40 0.02 0.00 0.56 0.00 0.00 36.38 33.39 2kan s VAL 18 CO 0.15 0.60 0.57 -0.89 -0.31 0.00 0.00 175.10 175.21 2kan s THR 19 N -1.05 4.92 -0.37 5.32 2.01 -0.75 -1.18 115.64 124.54 2kan s THR 19 Ca 0.16 -0.07 -0.18 0.00 0.31 0.00 0.00 61.69 61.91 2kan s THR 19 Cb -0.12 -4.15 0.00 0.00 0.01 0.00 0.00 72.50 68.24 2kan s THR 19 CO 0.05 -0.54 0.49 -0.69 -0.69 0.00 0.00 174.62 173.24 2kan s VAL 20 N 2.57 5.03 -0.35 3.82 1.01 0.87 0.24 120.40 133.59 2kan s VAL 20 Ca 0.19 0.18 -0.12 0.00 0.00 0.00 0.00 61.98 62.22 2kan s VAL 20 Cb -0.15 -3.98 -0.00 0.00 0.00 0.00 0.00 36.38 32.25 2kan s VAL 20 CO 0.17 -0.26 0.23 -0.54 0.00 0.00 0.00 175.10 174.70 2kan s LYS 21 N 2.34 3.26 0.17 2.72 1.02 0.73 -1.80 119.74 128.19 2kan s LYS 21 Ca 0.17 -0.80 0.02 0.00 0.02 0.00 0.00 55.97 55.38 2kan s LYS 21 Cb -0.16 -3.78 -0.04 0.00 -0.52 0.00 0.00 37.83 33.33 2kan s LYS 21 CO 0.14 -0.54 0.32 -0.06 -0.92 0.00 0.00 175.35 174.29 2kan s PHE 22 N 1.67 3.48 -0.77 3.18 0.40 0.79 -0.48 117.98 126.25 2kan s PHE 22 Ca 0.05 0.17 0.06 0.00 -0.60 0.00 0.00 56.93 56.60 2kan s PHE 22 Cb -0.18 -1.71 0.30 0.00 0.51 0.00 0.00 43.02 41.95 2kan s PHE 22 CO 0.09 0.48 1.16 -2.30 0.70 0.00 0.00 175.22 175.35 2kan n PRO 23 N -0.62 0.04 0.00 0.24 -0.02 -1.26 -2.21 135.00 131.16 2kan n PRO 23 Ca -0.06 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2kan n PRO 23 Cb 0.54 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 2kan n PRO 23 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2kan n SER 24 N -1.69 1.30 -3.86 2.55 2.88 -1.26 -5.10 113.62 108.44 2kan n SER 24 Ca -0.00 -0.29 -0.07 0.00 -1.33 0.00 0.00 58.87 57.17 2kan n SER 24 Cb 0.02 0.84 -0.02 0.00 -0.75 0.00 0.00 64.21 64.30 2kan n SER 24 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2kan s LYS 25 N -1.10 1.77 -0.08 -1.46 -2.85 -0.94 -5.16 119.74 109.91 2kan s LYS 25 Ca 0.00 -1.00 -0.04 0.00 -1.00 0.00 0.00 55.97 53.94 2kan s LYS 25 Cb 0.00 0.60 0.04 0.00 -2.06 0.00 0.00 37.83 36.42 2kan s LYS 25 CO 0.00 -0.80 0.18 -1.14 0.10 0.00 0.00 175.35 173.68 2kan s GLN 26 N -3.92 0.10 0.09 1.78 0.74 -1.26 -0.15 119.66 117.04 2kan s GLN 26 Ca 0.11 0.47 -0.09 0.00 0.05 0.00 0.00 55.36 55.91 2kan s GLN 26 Cb -0.06 -0.18 0.00 0.00 1.10 0.00 0.00 33.01 33.87 2kan s GLN 26 CO 0.07 -0.21 0.20 -0.59 -0.55 0.00 0.00 175.29 174.21 2kan s PHE 27 N 1.54 0.13 -0.05 1.67 -0.71 -0.74 -5.01 117.98 114.81 2kan s PHE 27 Ca -0.06 -0.56 -0.00 0.00 -1.04 0.00 0.00 56.93 55.27 2kan s PHE 27 Cb -0.12 -0.04 -0.03 0.00 -1.21 0.00 0.00 43.02 41.62 2kan s PHE 27 CO -0.07 -0.55 -0.01 0.99 -1.34 0.00 0.00 175.22 174.24 2kan s THR 28 N -3.86 4.17 0.06 -4.49 2.01 -1.26 -0.09 115.64 112.18 2kan s THR 28 Ca 0.05 -0.42 0.06 0.00 0.31 0.00 0.00 61.69 61.69 2kan s THR 28 Cb 0.05 -2.79 -0.03 0.00 0.01 0.00 0.00 72.50 69.74 2kan s THR 28 CO -0.11 0.51 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.47 2kan s VAL 29 N -0.96 1.33 -0.43 3.82 1.01 -0.33 -4.94 120.40 119.90 2kan s VAL 29 Ca 0.16 -1.21 -0.18 0.00 0.00 0.00 0.00 61.98 60.75 2kan s VAL 29 Cb -0.11 -1.21 0.02 0.00 0.00 0.00 0.00 36.38 35.08 2kan s VAL 29 CO 0.05 -0.02 0.50 -1.61 0.00 0.00 0.00 175.10 174.02 2kan s GLU 30 N -1.42 3.14 0.13 2.72 2.02 -1.26 -1.15 118.70 122.87 2kan s GLU 30 Ca 0.03 -0.68 0.07 0.00 0.02 0.00 0.00 54.97 54.41 2kan s GLU 30 Cb -0.09 -3.97 -0.04 0.00 0.10 0.00 0.00 34.13 30.13 2kan s GLU 30 CO 0.02 -0.91 -0.18 0.14 0.02 0.00 0.00 175.26 174.35 2kan s VAL 31 N 2.32 1.59 0.55 2.63 -7.23 -0.65 -4.88 120.40 114.73 2kan s VAL 31 Ca 0.15 -1.69 -0.20 0.00 -1.81 0.00 0.00 61.98 58.42 2kan s VAL 31 Cb -0.16 -1.60 -0.05 0.00 0.56 0.00 0.00 36.38 35.12 2kan s VAL 31 CO 0.15 -0.26 1.21 -0.62 -0.31 0.00 0.00 175.10 175.27 2kan s ASP 32 N -2.29 5.51 0.29 4.85 2.15 -1.26 -0.21 116.67 125.70 2kan s ASP 32 Ca 0.09 2.40 0.14 0.00 0.43 0.00 0.00 52.55 55.61 2kan s ASP 32 Cb -0.07 -2.60 0.31 0.00 -0.30 0.00 0.00 42.92 40.26 2kan s ASP 32 CO 0.05 -1.38 1.56 0.08 -0.17 0.00 0.00 175.17 175.31 2kan h ARG 33 N 1.29 0.00 -0.60 4.34 0.11 -1.94 -2.53 114.38 115.06 2kan h ARG 33 Ca -0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.58 2kan h ARG 33 Cb 1.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.36 2kan h ARG 33 CO 0.57 0.56 0.00 0.25 0.10 0.00 0.00 179.97 181.45 2kan n THR 34 N -3.48 1.22 -1.94 0.08 -2.24 -1.26 -2.04 114.28 104.62 2kan n THR 34 Ca 0.00 -0.82 -0.39 0.00 -2.27 0.00 0.00 64.05 60.57 2kan n THR 34 Cb 0.66 0.06 0.01 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 -1.70 3.72 0.49 -0.78 2.56 -0.95 -4.73 118.70 117.32 2kan s GLU 35 Ca 0.36 2.22 -0.18 0.00 0.00 0.00 0.00 54.97 57.37 2kan s GLU 35 Cb 0.23 -2.61 -0.09 0.00 2.00 0.00 0.00 34.13 33.66 2kan s GLU 35 CO 0.18 -0.72 0.98 0.95 -0.56 0.00 0.00 175.26 176.10 2kan s THR 36 N -1.27 4.41 0.34 -1.70 -4.23 -1.26 -0.20 115.64 111.72 2kan s THR 36 Ca 0.61 1.27 0.04 0.00 -1.18 0.00 0.00 61.69 62.42 2kan s THR 36 Cb -0.39 -3.65 0.28 0.00 1.34 0.00 0.00 72.50 70.08 2kan s THR 36 CO 0.50 -0.55 1.95 0.58 -0.54 0.00 0.00 174.62 176.56 2kan h VAL 37 N 1.20 1.06 0.00 2.29 2.07 -0.63 -0.75 116.25 121.49 2kan h VAL 37 Ca -0.48 -0.30 -0.08 0.00 0.82 0.00 0.00 66.70 66.67 2kan h VAL 37 Cb 1.19 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2kan h VAL 37 CO 0.61 0.16 -0.39 -1.28 0.02 0.00 0.00 177.57 176.68 2kan h SER 38 N 0.87 0.00 0.99 0.57 0.87 -1.79 -2.02 113.55 113.04 2kan h SER 38 Ca 0.32 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.69 2kan h SER 38 Cb 0.18 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 2kan h SER 38 CO -0.11 0.39 -0.92 -1.28 -0.53 0.00 0.00 176.83 174.39 2kan h SER 39 N 0.00 0.00 -0.04 6.23 0.87 -1.48 -0.51 113.55 118.62 2kan h SER 39 Ca -0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2kan h SER 39 Cb 0.88 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.84 2kan h SER 39 CO 0.05 0.92 0.01 0.25 -0.53 0.00 0.00 176.83 177.53 2kan h LEU 40 N 0.00 0.05 -0.61 2.23 5.85 -0.94 -0.84 115.31 121.05 2kan h LEU 40 Ca -0.01 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.61 2kan h LEU 40 Cb 1.66 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.62 2kan h LEU 40 CO 0.12 0.20 0.31 0.11 -0.34 0.00 0.00 178.44 178.84 2kan h LYS 41 N -0.11 0.56 -0.34 1.25 1.57 -1.26 -1.11 116.57 117.14 2kan h LYS 41 Ca 0.01 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2kan h LYS 41 Cb 0.17 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 2kan h LYS 41 CO -0.00 0.37 0.22 0.22 -0.57 0.00 0.00 179.45 179.69 2kan h ASP 42 N 0.58 0.38 -0.54 0.86 3.58 -0.89 0.14 116.42 120.52 2kan h ASP 42 Ca 0.28 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.71 2kan h ASP 42 Cb 0.22 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.15 2kan h ASP 42 CO -0.20 0.27 0.28 0.11 -2.88 0.00 0.00 179.24 176.82 2kan h LYS 43 N 0.45 0.77 -0.51 0.28 1.57 -0.80 -1.50 116.57 116.83 2kan h LYS 43 Ca 0.12 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 2kan h LYS 43 Cb -0.05 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 2kan h LYS 43 CO -0.03 0.62 0.19 0.82 -0.57 0.00 0.00 179.45 180.47 2kan h ILE 44 N 0.73 1.19 0.00 1.86 2.04 -0.83 -1.88 117.51 120.62 2kan h ILE 44 Ca 0.19 -0.62 -0.07 0.00 1.00 0.00 0.00 64.86 65.37 2kan h ILE 44 Cb 0.09 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 2kan h ILE 44 CO -0.03 0.24 -0.32 -0.74 0.00 0.00 0.00 178.15 177.31 2kan h HIS 45 N 0.72 0.00 -0.21 1.37 2.76 -0.07 0.80 115.15 120.52 2kan h HIS 45 Ca 0.17 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 58.17 2kan h HIS 45 Cb 0.17 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.13 2kan h HIS 45 CO 0.01 0.32 -0.53 0.82 -1.30 0.00 0.00 177.93 177.24 2kan h ILE 46 N 0.00 1.30 0.02 6.26 2.04 -0.51 -3.36 117.51 123.26 2kan h ILE 46 Ca -0.00 -1.75 -0.00 0.00 1.00 0.00 0.00 64.86 64.10 2kan h ILE 46 Cb 0.59 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.52 2kan h ILE 46 CO 0.04 0.55 -0.01 0.58 0.00 0.00 0.00 178.15 179.31 2kan h VAL 47 N 0.45 0.76 -3.17 1.67 2.07 -1.10 -3.46 116.25 113.46 2kan h VAL 47 Ca -0.01 -1.52 -0.58 0.00 0.82 0.00 0.00 66.70 65.41 2kan h VAL 47 Cb 1.15 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 32.30 2kan h VAL 47 CO 0.12 0.25 -0.26 -1.61 0.02 0.00 0.00 177.57 176.09 2kan s GLU 48 N -2.00 3.70 0.00 1.57 0.41 0.28 -4.98 118.70 117.68 2kan s GLU 48 Ca -0.08 0.07 0.28 0.00 -0.41 0.00 0.00 54.97 54.83 2kan s GLU 48 Cb -0.01 -2.89 1.43 0.00 -1.78 0.00 0.00 34.13 30.88 2kan s GLU 48 CO 0.31 0.49 1.97 0.09 -0.49 0.00 0.00 175.26 177.63 2kan n ASN 49 N 0.43 0.00 -4.70 -0.19 3.02 -1.26 -4.17 115.26 108.39 2kan n ASN 49 Ca -0.05 -0.16 -0.42 0.00 -0.03 0.00 0.00 54.58 53.92 2kan n ASN 49 Cb 0.52 -0.27 -0.03 0.00 -0.61 0.00 0.00 39.78 39.39 2kan n ASN 49 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2kan s THR 50 N -2.53 2.96 0.48 3.41 2.01 -1.26 -4.96 115.64 115.75 2kan s THR 50 Ca 0.27 0.49 -0.24 0.00 0.31 0.00 0.00 61.69 62.53 2kan s THR 50 Cb 0.19 -3.32 -0.08 0.00 0.01 0.00 0.00 72.50 69.31 2kan s THR 50 CO 0.42 0.01 1.36 -2.65 -0.69 0.00 0.00 174.62 173.07 2kan n PRO 51 N 5.23 1.97 -0.32 4.92 -0.02 -1.26 -4.57 135.00 140.95 2kan n PRO 51 Ca 0.15 0.71 -0.01 0.00 -2.02 0.00 0.00 63.50 62.33 2kan n PRO 51 Cb 0.40 -2.55 0.17 0.00 -0.02 0.00 0.00 33.50 31.50 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 1.93 1.23 0.00 4.25 2.04 -1.91 -0.83 117.51 124.22 2kan h ILE 52 Ca -0.50 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 64.94 2kan h ILE 52 Cb 1.29 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 2kan h ILE 52 CO 0.59 0.22 0.00 0.29 0.00 0.00 0.00 178.15 179.26 2kan n LYS 53 N -4.40 0.01 0.04 2.37 5.02 -1.26 -3.19 118.16 116.76 2kan n LYS 53 Ca 0.11 0.05 0.11 0.00 -2.02 0.00 0.00 58.31 56.56 2kan n LYS 53 Cb 0.02 -1.52 0.02 0.00 -0.02 0.00 0.00 35.03 33.53 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 -1.54 0.38 -4.80 1.97 3.00 -0.33 -4.86 116.66 110.48 2kan n ARG 54 Ca 0.06 0.01 -0.33 0.00 -0.01 0.00 0.00 57.85 57.59 2kan n ARG 54 Cb 0.32 -1.64 -0.14 0.00 0.00 0.00 0.00 32.46 31.00 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 -3.25 3.37 -0.12 5.56 0.23 -1.12 -1.71 119.30 122.26 2kan s MET 55 Ca 0.02 -0.69 -0.01 0.00 -1.03 0.00 0.00 55.69 53.98 2kan s MET 55 Cb 0.13 -2.62 -0.02 0.00 -1.53 0.00 0.00 34.83 30.80 2kan s MET 55 CO 0.80 0.21 -0.09 -0.65 -2.03 0.00 0.00 175.02 173.27 2kan s GLN 56 N 0.34 3.32 -0.11 3.16 -0.21 -0.63 -4.93 119.66 120.60 2kan s GLN 56 Ca -0.11 -0.60 -0.18 0.00 0.02 0.00 0.00 55.36 54.48 2kan s GLN 56 Cb -0.16 -2.71 -0.04 0.00 1.00 0.00 0.00 33.01 31.10 2kan s GLN 56 CO 0.06 0.33 0.48 -0.51 -2.12 0.00 0.00 175.29 173.54 2kan s LEU 57 N 0.07 4.29 -0.05 2.90 1.43 -1.26 -0.54 118.68 125.53 2kan s LEU 57 Ca -0.03 0.84 0.04 0.00 -1.03 0.00 0.00 54.13 53.95 2kan s LEU 57 Cb -0.14 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.38 2kan s LEU 57 CO 0.04 0.02 -0.16 -0.31 0.23 0.00 0.00 176.35 176.17 2kan s TYR 58 N 0.50 1.62 -0.16 0.29 1.51 -0.11 0.31 117.35 121.31 2kan s TYR 58 Ca 0.26 -0.50 -0.02 0.00 -1.01 0.00 0.00 57.07 55.80 2kan s TYR 58 Cb -0.15 -1.11 0.05 0.00 -0.11 0.00 0.00 41.96 40.63 2kan s TYR 58 CO 0.11 -0.20 0.02 -0.47 -1.11 0.00 0.00 175.55 173.90 2kan s TYR 59 N 0.20 0.99 -1.83 2.71 5.04 0.21 -0.24 117.35 124.44 2kan s TYR 59 Ca -0.07 -0.69 0.00 0.00 -2.44 0.00 0.00 57.07 53.87 2kan s TYR 59 Cb -0.12 -0.99 0.00 0.00 0.35 0.00 0.00 41.96 41.19 2kan s TYR 59 CO 0.03 -0.54 0.00 0.45 -1.34 0.00 0.00 175.55 174.15 2kan n SER 60 N 5.06 -5.19 0.00 4.32 2.88 -1.26 -0.48 113.62 118.95 2kan n SER 60 Ca -0.09 0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 2kan n SER 60 Cb 0.48 -4.21 0.00 0.00 -0.75 0.00 0.00 64.21 59.73 2kan n SER 60 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kan n GLY 61 N -0.71 0.06 3.70 0.46 0.00 -1.26 -5.06 105.19 102.39 2kan n GLY 61 Ca -0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.00 4.98 -0.43 -0.61 1.01 0.37 -5.02 121.20 119.51 2kan s ILE 62 Ca 0.00 1.59 -0.26 0.00 0.00 0.00 0.00 60.65 61.99 2kan s ILE 62 Cb 0.00 -4.11 0.02 0.00 0.01 0.00 0.00 42.46 38.38 2kan s ILE 62 CO 0.00 0.19 0.92 -0.70 0.00 0.00 0.00 174.94 175.35 2kan s GLU 63 N 1.13 3.65 -1.25 2.79 2.12 -1.26 -0.62 118.70 125.26 2kan s GLU 63 Ca 0.40 0.32 -0.14 0.00 0.36 0.00 0.00 54.97 55.91 2kan s GLU 63 Cb -0.18 -3.88 0.15 0.00 0.26 0.00 0.00 34.13 30.48 2kan s GLU 63 CO 0.19 -1.12 1.61 1.28 -0.54 0.00 0.00 175.26 176.67 2kan n LEU 64 N 7.02 5.49 -0.09 2.70 4.77 0.15 -4.61 117.00 132.44 2kan n LEU 64 Ca 0.06 -4.38 -0.11 0.00 -0.03 0.00 0.00 56.01 51.56 2kan n LEU 64 Cb 0.48 -1.62 -0.11 0.00 -2.33 0.00 0.00 43.42 39.84 2kan n LEU 64 CO 0.62 0.75 -1.08 0.00 -1.33 0.00 0.00 177.39 176.35 2kan n ALA 65 N 5.85 1.59 -2.00 -1.18 0.00 -1.26 -4.08 120.51 119.43 2kan n ALA 65 Ca 0.40 -0.95 -0.43 0.00 0.00 0.00 0.00 53.44 52.47 2kan n ALA 65 Cb 0.42 -0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.82 2kan n ALA 65 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2kan s ASP 66 N -5.41 5.93 0.39 0.00 1.01 -1.26 -4.86 116.67 112.47 2kan s ASP 66 Ca -0.17 1.35 0.12 0.00 0.71 0.00 0.00 52.55 54.56 2kan s ASP 66 Cb 0.06 -2.53 0.80 0.00 1.01 0.00 0.00 42.92 42.26 2kan s ASP 66 CO 0.55 -1.67 1.88 0.44 0.21 0.00 0.00 175.17 176.59 2kan h ASP 67 N 12.70 0.05 0.04 0.27 3.32 -1.93 -2.68 116.42 128.20 2kan h ASP 67 Ca -0.34 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.70 2kan h ASP 67 Cb 1.17 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.71 2kan h ASP 67 CO 1.03 0.33 -0.00 0.00 -1.72 0.00 0.00 179.24 178.87 2kan n TYR 68 N -4.19 0.00 -2.71 4.55 0.18 -1.26 -3.09 117.16 110.65 2kan n TYR 68 Ca -0.02 0.00 -0.25 0.00 1.88 0.00 0.00 57.90 59.51 2kan n TYR 68 Cb 0.34 -0.02 0.02 0.00 -0.38 0.00 0.00 39.34 39.30 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 -2.05 3.09 0.19 -3.48 1.81 -1.01 -4.93 118.95 112.57 2kan s ARG 69 Ca 0.44 -0.18 0.08 0.00 -1.72 0.00 0.00 55.73 54.35 2kan s ARG 69 Cb 0.22 -2.42 -0.04 0.00 -0.45 0.00 0.00 34.95 32.26 2kan s ARG 69 CO 0.37 -0.42 -0.01 -0.80 -0.68 0.00 0.00 175.30 173.76 2kan s ASN 70 N -4.23 4.68 0.07 0.23 -0.87 -1.26 -0.15 114.94 113.41 2kan s ASN 70 Ca 0.50 -0.45 -0.24 0.00 -1.57 0.00 0.00 52.86 51.09 2kan s ASN 70 Cb -0.10 -0.96 -0.16 0.00 -0.02 0.00 0.00 41.25 40.01 2kan s ASN 70 CO 0.42 0.08 1.64 -0.07 -2.57 0.00 0.00 177.10 176.60 2kan h LEU 71 N 2.60 -0.09 -2.30 0.60 3.38 -0.74 -2.74 115.31 116.02 2kan h LEU 71 Ca -0.47 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.44 2kan h LEU 71 Cb 1.21 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 2kan h LEU 71 CO 0.58 0.01 0.02 -0.55 0.09 0.00 0.00 178.44 178.58 2kan h ASN 72 N -0.19 0.00 -0.57 -0.43 7.08 -1.51 -0.73 115.58 119.23 2kan h ASN 72 Ca -0.01 0.00 0.05 0.00 -3.08 0.00 0.00 56.30 53.26 2kan h ASN 72 Cb 0.16 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.36 2kan h ASN 72 CO 0.02 0.00 0.38 -0.33 -2.08 0.00 0.00 177.43 175.42 2kan h GLU 73 N 0.00 0.58 -0.05 4.14 4.39 -1.78 0.80 114.58 122.66 2kan h GLU 73 Ca 0.01 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2kan h GLU 73 Cb 0.04 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.56 2kan h GLU 73 CO -0.00 0.39 0.00 0.66 -1.16 0.00 0.00 179.01 178.90 2kan n TYR 74 N -4.47 0.06 -0.27 4.33 4.01 -0.30 -4.86 117.16 115.67 2kan n TYR 74 Ca 0.07 -0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 2kan n TYR 74 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 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 0.99 0.86 3.60 2.72 0.00 0.27 -5.02 105.19 108.61 2kan n GLY 75 Ca 0.17 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 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 3.75 -0.18 -0.61 1.01 -1.11 -4.81 121.20 117.26 2kan s ILE 76 Ca 0.00 0.75 -0.09 0.00 0.00 0.00 0.00 60.65 61.31 2kan s ILE 76 Cb 0.00 -4.05 -0.08 0.00 0.01 0.00 0.00 42.46 38.34 2kan s ILE 76 CO 0.00 -0.69 -0.23 1.07 0.00 0.00 0.00 174.94 175.09 2kan n THR 77 N 7.17 0.97 0.00 2.92 5.66 -1.26 -3.83 114.28 125.91 2kan n THR 77 Ca 0.18 -0.24 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 2kan n THR 77 Cb 0.48 -1.74 0.00 0.00 -1.55 0.00 0.00 70.33 67.52 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 -3.79 0.00 -1.90 1.09 2.13 -1.26 -4.89 120.64 112.02 2kan n GLU 78 Ca -0.35 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.27 2kan n GLU 78 Cb 0.74 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.40 2kan n GLU 78 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2kan n PHE 79 N -0.06 -0.42 -2.25 4.31 3.72 -0.82 -4.93 117.46 117.01 2kan n PHE 79 Ca 0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 2kan n PHE 79 Cb 0.00 -3.58 -0.03 0.00 -0.94 0.00 0.00 39.48 34.92 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 -2.46 6.92 -0.47 4.37 1.04 -1.26 -4.74 113.70 117.10 2kan s SER 80 Ca 0.00 2.27 -0.25 0.00 0.48 0.00 0.00 55.95 58.45 2kan s SER 80 Cb 0.00 -2.59 0.03 0.00 0.10 0.00 0.00 66.02 63.56 2kan s SER 80 CO 0.00 -0.56 0.90 -0.70 0.98 0.00 0.00 173.24 173.86 2kan s GLU 81 N 0.68 3.48 -0.44 4.02 2.12 -1.26 -1.80 118.70 125.50 2kan s GLU 81 Ca 0.60 0.07 -0.18 0.00 0.36 0.00 0.00 54.97 55.82 2kan s GLU 81 Cb -0.35 -3.94 0.03 0.00 0.26 0.00 0.00 34.13 30.13 2kan s GLU 81 CO 0.32 -1.23 0.48 0.42 -0.54 0.00 0.00 175.26 174.72 2kan s ILE 82 N 3.68 5.04 -0.52 -3.70 -1.09 0.14 -4.52 121.20 120.23 2kan s ILE 82 Ca 0.35 -0.36 -0.21 0.00 -2.23 0.00 0.00 60.65 58.20 2kan s ILE 82 Cb -0.11 -4.10 0.05 0.00 -1.58 0.00 0.00 42.46 36.72 2kan s ILE 82 CO 0.25 -0.51 0.76 -0.69 -1.23 0.00 0.00 174.94 173.52 2kan s VAL 83 N 2.25 4.67 -0.55 2.92 1.01 0.67 -0.19 120.40 131.19 2kan s VAL 83 Ca 0.13 -0.11 -0.23 0.00 0.00 0.00 0.00 61.98 61.77 2kan s VAL 83 Cb -0.17 -4.39 0.05 0.00 0.00 0.00 0.00 36.38 31.86 2kan s VAL 83 CO 0.14 -0.91 0.86 -0.69 0.00 0.00 0.00 175.10 174.49 2kan s VAL 84 N 3.19 4.51 -0.39 2.92 1.01 0.37 -0.93 120.40 131.09 2kan s VAL 84 Ca 0.22 0.01 -0.20 0.00 0.00 0.00 0.00 61.98 62.00 2kan s VAL 84 Cb -0.16 -4.49 0.01 0.00 0.00 0.00 0.00 36.38 31.74 2kan s VAL 84 CO 0.16 -1.06 0.64 -0.36 0.00 0.00 0.00 175.10 174.47 2kan s PHE 85 N 3.60 3.12 -0.19 5.22 0.08 0.30 -4.25 117.98 125.86 2kan s PHE 85 Ca 0.25 0.20 -0.27 0.00 0.12 0.00 0.00 56.93 57.23 2kan s PHE 85 Cb -0.15 -3.21 -0.00 0.00 -0.57 0.00 0.00 43.02 39.08 2kan s PHE 85 CO 0.16 -0.71 0.95 -0.51 -0.10 0.00 0.00 175.22 175.01 2kan s LEU 86 N 2.75 4.15 0.00 -0.37 1.43 -1.26 -1.61 118.68 123.77 2kan s LEU 86 Ca 0.24 1.31 0.22 0.00 -1.03 0.00 0.00 54.13 54.86 2kan s LEU 86 Cb -0.14 -3.41 -0.11 0.00 0.03 0.00 0.00 46.19 42.56 2kan s LEU 86 CO 0.16 -0.53 0.99 0.29 0.23 0.00 0.00 176.35 177.50 2kan n LYS 87 N 5.70 0.18 -3.54 1.70 4.76 -0.69 -4.94 118.16 121.33 2kan n LYS 87 Ca 0.08 -0.15 -0.15 0.00 -2.87 0.00 0.00 58.31 55.23 2kan n LYS 87 Cb 0.48 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 32.11 2kan n LYS 87 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2kan s SER 88 N -2.92 -0.54 -0.02 4.39 0.15 -1.19 -5.05 113.70 108.52 2kan s SER 88 Ca 0.10 0.57 0.02 0.00 0.70 0.00 0.00 55.95 57.35 2kan s SER 88 Cb 0.16 0.45 0.04 0.00 -1.71 0.00 0.00 66.02 64.96 2kan s SER 88 CO 0.81 -0.52 0.92 2.30 1.20 0.00 0.00 173.24 177.95 2kan n ILE 89 N 0.79 0.88 -2.69 6.45 -5.35 -1.26 -4.63 119.36 113.55 2kan n ILE 89 Ca -0.15 -0.93 -0.42 0.00 -0.27 0.00 0.00 62.75 60.97 2kan n ILE 89 Cb 0.58 0.50 -0.03 0.00 -1.74 0.00 0.00 39.64 38.95 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 -1.04 7.28 0.39 7.28 -0.87 -1.26 -4.97 114.94 121.74 2kan s ASN 90 Ca 0.04 1.57 -0.21 0.00 -1.57 0.00 0.00 52.86 52.69 2kan s ASN 90 Cb 0.04 -2.56 -0.10 0.00 -0.02 0.00 0.00 41.25 38.60 2kan s ASN 90 CO 0.00 -0.40 0.91 -0.13 -2.57 0.00 0.00 177.10 174.92 2kan s ARG 91 N 1.75 4.26 0.00 -0.60 0.52 -1.26 -4.78 118.95 118.84 2kan s ARG 91 Ca 0.49 1.09 0.00 0.00 -0.52 0.00 0.00 55.73 56.79 2kan s ARG 91 Cb -0.19 -2.35 0.00 0.00 0.52 0.00 0.00 34.95 32.93 2kan s ARG 91 CO 0.21 0.06 0.00 0.00 0.02 0.00 0.00 175.30 175.59 2kan n ALA 92 N -0.34 1.97 -1.06 2.13 0.00 -1.26 -4.55 120.51 117.40 2kan n ALA 92 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.47 2kan n ALA 92 Cb 0.53 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.28 2kan n ALA 92 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2kan n LYS 93 N -1.22 3.59 0.00 0.00 5.02 -1.26 -5.23 118.16 119.06 2kan n LYS 93 Ca 0.00 -3.08 0.01 0.00 -2.02 0.00 0.00 58.31 53.22 2kan n LYS 93 Cb 0.00 -2.14 0.00 0.00 -0.02 0.00 0.00 35.03 32.87 2kan n LYS 93 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63