#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 -1.89 3.60 3.03 0.00 -1.26 -4.93 105.19 103.74 2kan n GLY 2 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.55 2kan n GLY 2 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kan n HIS 3 N 0.00 0.00 -2.75 1.61 -0.00 -1.26 -4.89 115.22 107.93 2kan n HIS 3 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.29 2kan n HIS 3 Cb 0.00 -0.54 -0.00 0.00 -0.00 0.00 0.00 29.99 29.45 2kan n HIS 3 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kan s HIS 4 N -2.50 3.09 0.41 1.57 2.46 -1.26 -4.97 115.29 114.10 2kan s HIS 4 Ca 0.00 -1.81 -0.09 0.00 0.47 0.00 0.00 55.06 53.63 2kan s HIS 4 Cb 0.00 -4.55 -0.06 0.00 -0.13 0.00 0.00 32.58 27.84 2kan s HIS 4 CO 0.00 -1.63 0.76 -1.01 -2.47 0.00 0.00 174.74 170.39 2kan s HIS 5 N 3.08 3.49 0.34 3.88 3.76 -1.26 -5.06 115.29 123.51 2kan s HIS 5 Ca 0.48 0.99 -0.26 0.00 -0.15 0.00 0.00 55.06 56.12 2kan s HIS 5 Cb 0.01 -2.40 -0.09 0.00 1.11 0.00 0.00 32.58 31.20 2kan s HIS 5 CO 0.03 -0.12 1.03 -3.38 -0.85 0.00 0.00 174.74 171.45 2kan s HIS 6 N -2.42 3.50 -0.20 1.40 0.00 -1.26 -5.05 115.29 111.26 2kan s HIS 6 Ca 0.50 1.71 -0.13 0.00 -3.00 0.00 0.00 55.06 54.15 2kan s HIS 6 Cb -0.10 -3.11 0.06 0.00 -4.00 0.00 0.00 32.58 25.43 2kan s HIS 6 CO 0.33 -0.34 0.50 -3.38 -1.00 0.00 0.00 174.74 170.86 2kan s HIS 7 N -1.49 -0.70 -0.63 0.38 -3.43 -1.26 -5.10 115.29 103.06 2kan s HIS 7 Ca 0.51 1.50 0.04 0.00 -0.80 0.00 0.00 55.06 56.31 2kan s HIS 7 Cb -0.24 0.34 0.15 0.00 -1.43 0.00 0.00 32.58 31.40 2kan s HIS 7 CO 0.30 -0.37 0.41 -3.38 -2.00 0.00 0.00 174.74 169.70 2kan s HIS 8 N 1.19 3.41 0.27 0.38 -3.43 -1.26 -4.92 115.29 110.94 2kan s HIS 8 Ca -0.07 -3.22 0.07 0.00 -0.80 0.00 0.00 55.06 51.03 2kan s HIS 8 Cb -0.06 -2.81 0.38 0.00 -1.43 0.00 0.00 32.58 28.65 2kan s HIS 8 CO -0.11 -0.66 1.64 0.77 -2.00 0.00 0.00 174.74 174.38 2kan h SER 9 N 5.99 0.20 -1.86 7.38 0.02 -2.02 -3.43 113.55 119.84 2kan h SER 9 Ca 0.04 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 2kan h SER 9 Cb 0.83 -0.06 -0.25 0.00 0.14 0.00 0.00 62.40 63.06 2kan h SER 9 CO 0.71 0.69 -0.34 -2.28 -1.14 0.00 0.00 176.83 174.47 2kan s HIS 10 N -3.91 -1.09 -0.07 3.45 5.04 -1.26 -5.02 115.29 112.43 2kan s HIS 10 Ca -0.04 1.48 0.08 0.00 -1.54 0.00 0.00 55.06 55.05 2kan s HIS 10 Cb 0.13 0.36 -0.24 0.00 0.04 0.00 0.00 32.58 32.87 2kan s HIS 10 CO 0.78 -0.69 0.56 0.00 -2.34 0.00 0.00 174.74 173.05 2kan n ALA 11 N 5.40 1.35 -2.18 1.58 0.00 -1.26 -4.45 120.51 120.95 2kan n ALA 11 Ca -0.06 -0.76 -0.42 0.00 0.00 0.00 0.00 53.44 52.20 2kan n ALA 11 Cb 0.50 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.18 2kan n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kan n ALA 12 N -2.67 5.35 -3.40 0.00 0.00 -1.26 -4.87 120.51 113.66 2kan n ALA 12 Ca -0.21 -4.18 -0.16 0.00 0.00 0.00 0.00 53.44 48.89 2kan n ALA 12 Cb 1.06 -3.15 -0.06 0.00 0.00 0.00 0.00 19.45 17.29 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 1.29 0.02 -0.20 0.00 0.11 -1.26 -5.15 120.40 115.21 2kan s VAL 13 Ca 0.42 -0.15 -0.12 0.00 -2.93 0.00 0.00 61.98 59.20 2kan s VAL 13 Cb 0.10 -0.93 -0.05 0.00 -1.53 0.00 0.00 36.38 33.97 2kan s VAL 13 CO -0.02 -0.08 0.20 -0.13 -3.33 0.00 0.00 175.10 171.74 2kan s ARG 14 N -1.76 4.19 0.26 1.54 0.52 -1.26 -5.07 118.95 117.37 2kan s ARG 14 Ca -0.09 -0.11 -0.30 0.00 -0.52 0.00 0.00 55.73 54.72 2kan s ARG 14 Cb -0.01 -3.45 -0.09 0.00 0.52 0.00 0.00 34.95 31.91 2kan s ARG 14 CO 0.04 0.21 1.03 0.15 0.02 0.00 0.00 175.30 176.75 2kan s LYS 15 N 0.59 4.74 0.30 3.54 3.01 -1.26 -4.61 119.74 126.05 2kan s LYS 15 Ca 0.11 1.66 -0.01 0.00 -1.01 0.00 0.00 55.97 56.72 2kan s LYS 15 Cb -0.12 -3.23 -0.04 0.00 -1.01 0.00 0.00 37.83 33.43 2kan s LYS 15 CO 0.02 0.35 0.51 0.96 0.51 0.00 0.00 175.35 177.70 2kan s ILE 16 N -1.17 5.11 -0.36 2.17 -4.36 0.15 -4.81 121.20 117.92 2kan s ILE 16 Ca 0.43 -0.31 -0.11 0.00 -0.26 0.00 0.00 60.65 60.39 2kan s ILE 16 Cb -0.29 -3.80 0.02 0.00 1.25 0.00 0.00 42.46 39.63 2kan s ILE 16 CO 0.37 -0.41 0.21 -1.00 0.24 0.00 0.00 174.94 174.35 2kan s HIS 17 N -2.16 3.23 -0.10 1.37 3.76 -1.26 -1.07 115.29 119.06 2kan s HIS 17 Ca 0.41 -0.78 -0.06 0.00 -0.15 0.00 0.00 55.06 54.47 2kan s HIS 17 Cb -0.10 -2.45 -0.04 0.00 1.11 0.00 0.00 32.58 31.10 2kan s HIS 17 CO 0.33 -0.58 0.15 0.14 -0.85 0.00 0.00 174.74 173.92 2kan s VAL 18 N 1.59 5.46 -0.44 -0.90 -7.23 -0.58 -0.17 120.40 118.14 2kan s VAL 18 Ca 0.03 0.12 -0.21 0.00 -1.81 0.00 0.00 61.98 60.11 2kan s VAL 18 Cb -0.19 -3.42 0.02 0.00 0.56 0.00 0.00 36.38 33.36 2kan s VAL 18 CO 0.07 0.56 0.64 -0.89 -0.31 0.00 0.00 175.10 175.17 2kan s THR 19 N -1.09 4.83 -0.40 5.32 2.01 0.41 -1.61 115.64 125.11 2kan s THR 19 Ca 0.18 0.10 -0.18 0.00 0.31 0.00 0.00 61.69 62.10 2kan s THR 19 Cb -0.12 -4.21 0.01 0.00 0.01 0.00 0.00 72.50 68.20 2kan s THR 19 CO 0.07 -0.60 0.51 -0.69 -0.69 0.00 0.00 174.62 173.23 2kan s VAL 20 N 2.81 5.00 -0.30 3.82 1.01 0.90 -0.04 120.40 133.60 2kan s VAL 20 Ca 0.22 -0.01 -0.07 0.00 0.00 0.00 0.00 61.98 62.13 2kan s VAL 20 Cb -0.14 -4.06 0.01 0.00 0.00 0.00 0.00 36.38 32.19 2kan s VAL 20 CO 0.19 -0.40 0.08 -0.54 0.00 0.00 0.00 175.10 174.43 2kan s LYS 21 N 2.40 3.05 0.45 2.72 1.02 0.34 -1.54 119.74 128.19 2kan s LYS 21 Ca 0.17 -0.88 0.03 0.00 0.02 0.00 0.00 55.97 55.30 2kan s LYS 21 Cb -0.16 -3.37 0.01 0.00 -0.52 0.00 0.00 37.83 33.79 2kan s LYS 21 CO 0.15 -0.46 0.65 -0.06 -0.92 0.00 0.00 175.35 174.71 2kan s PHE 22 N 1.49 3.06 -1.00 3.18 0.40 0.59 0.54 117.98 126.23 2kan s PHE 22 Ca 0.02 0.02 0.00 0.00 -0.60 0.00 0.00 56.93 56.37 2kan s PHE 22 Cb -0.17 -2.38 0.00 0.00 0.51 0.00 0.00 43.02 40.98 2kan s PHE 22 CO 0.02 -0.44 0.29 -2.30 0.70 0.00 0.00 175.22 173.49 2kan n PRO 23 N -2.04 0.57 0.11 0.24 -0.02 -1.26 -3.79 135.00 128.80 2kan n PRO 23 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 2kan n PRO 23 Cb 0.58 -1.28 0.00 0.00 -0.02 0.00 0.00 33.50 32.78 2kan n PRO 23 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2kan n SER 24 N 0.21 -1.31 -4.56 2.55 3.41 -1.26 -5.09 113.62 107.57 2kan n SER 24 Ca 0.00 0.40 -0.26 0.00 -0.26 0.00 0.00 58.87 58.75 2kan n SER 24 Cb 0.14 1.40 -0.10 0.00 -0.26 0.00 0.00 64.21 65.39 2kan n SER 24 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2kan s LYS 25 N -2.00 1.87 -0.03 4.33 -2.85 -1.25 -5.14 119.74 114.67 2kan s LYS 25 Ca 0.00 -1.92 -0.01 0.00 -1.00 0.00 0.00 55.97 53.05 2kan s LYS 25 Cb 0.00 -1.74 0.03 0.00 -2.06 0.00 0.00 37.83 34.06 2kan s LYS 25 CO 0.00 0.13 0.05 -1.14 0.10 0.00 0.00 175.35 174.49 2kan s GLN 26 N -3.63 -0.04 0.12 1.78 0.74 -1.26 -0.30 119.66 117.06 2kan s GLN 26 Ca 0.33 0.26 -0.08 0.00 0.05 0.00 0.00 55.36 55.92 2kan s GLN 26 Cb 0.02 -0.32 -0.01 0.00 1.10 0.00 0.00 33.01 33.81 2kan s GLN 26 CO 0.17 -0.22 0.22 -0.59 -0.55 0.00 0.00 175.29 174.32 2kan s PHE 27 N 1.41 0.29 -0.04 1.67 -0.12 -0.59 -5.01 117.98 115.58 2kan s PHE 27 Ca -0.05 -0.69 0.02 0.00 -0.05 0.00 0.00 56.93 56.16 2kan s PHE 27 Cb -0.13 -0.08 -0.03 0.00 -0.63 0.00 0.00 43.02 42.15 2kan s PHE 27 CO -0.03 -0.61 -0.09 0.99 -0.05 0.00 0.00 175.22 175.43 2kan s THR 28 N -3.91 3.54 -0.02 -4.49 2.01 -1.26 -0.07 115.64 111.44 2kan s THR 28 Ca 0.11 -0.62 0.05 0.00 0.31 0.00 0.00 61.69 61.54 2kan s THR 28 Cb 0.04 -2.46 -0.01 0.00 0.01 0.00 0.00 72.50 70.08 2kan s THR 28 CO -0.06 0.54 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.55 2kan s VAL 29 N -0.84 1.34 -0.39 3.82 1.01 -0.63 -4.96 120.40 119.74 2kan s VAL 29 Ca 0.13 -0.72 -0.22 0.00 0.00 0.00 0.00 61.98 61.17 2kan s VAL 29 Cb -0.11 -1.12 0.01 0.00 0.00 0.00 0.00 36.38 35.17 2kan s VAL 29 CO 0.03 0.38 0.73 -1.61 0.00 0.00 0.00 175.10 174.63 2kan s GLU 30 N -0.36 3.60 0.11 2.72 2.02 -1.26 -1.53 118.70 124.00 2kan s GLU 30 Ca 0.06 0.08 0.05 0.00 0.02 0.00 0.00 54.97 55.17 2kan s GLU 30 Cb -0.07 -3.86 -0.04 0.00 0.10 0.00 0.00 34.13 30.27 2kan s GLU 30 CO -0.00 -0.91 -0.13 0.14 0.02 0.00 0.00 175.26 174.38 2kan s VAL 31 N 3.03 1.18 0.62 2.63 -7.23 -0.23 -4.94 120.40 115.45 2kan s VAL 31 Ca 0.28 -1.65 -0.15 0.00 -1.81 0.00 0.00 61.98 58.65 2kan s VAL 31 Cb -0.13 -1.43 -0.02 0.00 0.56 0.00 0.00 36.38 35.36 2kan s VAL 31 CO 0.18 -0.45 1.07 -0.62 -0.31 0.00 0.00 175.10 174.98 2kan s ASP 32 N -2.38 5.59 0.47 4.85 -1.08 -1.26 0.29 116.67 123.15 2kan s ASP 32 Ca 0.07 1.85 0.27 0.00 -0.52 0.00 0.00 52.55 54.21 2kan s ASP 32 Cb -0.05 -2.53 0.72 0.00 -1.46 0.00 0.00 42.92 39.60 2kan s ASP 32 CO 0.02 -1.30 1.75 0.08 0.52 0.00 0.00 175.17 176.24 2kan h ARG 33 N 0.26 0.00 -0.65 4.34 0.11 -1.93 -2.54 114.38 113.97 2kan h ARG 33 Ca -0.47 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.61 2kan h ARG 33 Cb 1.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.31 2kan h ARG 33 CO 0.57 0.00 0.00 0.25 0.10 0.00 0.00 179.97 180.89 2kan n THR 34 N -3.07 1.76 -1.95 0.08 -2.24 -1.26 -2.14 114.28 105.46 2kan n THR 34 Ca 0.03 -1.20 -0.41 0.00 -2.27 0.00 0.00 64.05 60.20 2kan n THR 34 Cb 0.45 0.16 -0.01 0.00 -2.10 0.00 0.00 70.33 68.83 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 -1.77 4.22 0.59 -0.78 2.56 -0.96 -4.64 118.70 117.91 2kan s GLU 35 Ca 0.50 2.40 -0.16 0.00 0.00 0.00 0.00 54.97 57.72 2kan s GLU 35 Cb 0.32 -3.01 -0.04 0.00 2.00 0.00 0.00 34.13 33.40 2kan s GLU 35 CO 0.25 -0.37 1.05 0.99 -0.56 0.00 0.00 175.26 176.62 2kan s THR 36 N -1.13 3.82 0.30 -1.70 2.01 -1.26 -0.09 115.64 117.59 2kan s THR 36 Ca 0.51 0.88 -0.01 0.00 0.31 0.00 0.00 61.69 63.38 2kan s THR 36 Cb -0.43 -3.39 0.21 0.00 0.01 0.00 0.00 72.50 68.90 2kan s THR 36 CO 0.58 -0.49 1.91 0.58 -0.69 0.00 0.00 174.62 176.51 2kan h VAL 37 N 0.51 1.21 -0.78 3.82 2.07 -0.56 0.17 116.25 122.69 2kan h VAL 37 Ca -0.47 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 66.46 2kan h VAL 37 Cb 1.22 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 2kan h VAL 37 CO 0.58 0.24 0.38 0.77 0.02 0.00 0.00 177.57 179.55 2kan h SER 38 N 0.92 1.01 1.66 0.57 4.64 -1.72 -1.53 113.55 119.11 2kan h SER 38 Ca 0.23 -0.11 -0.04 0.00 -0.47 0.00 0.00 61.79 61.40 2kan h SER 38 Cb 0.07 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.89 2kan h SER 38 CO -0.03 0.85 -0.19 0.28 -0.87 0.00 0.00 176.83 176.87 2kan h SER 39 N 1.11 0.00 0.00 4.97 0.02 -1.45 0.21 113.55 118.41 2kan h SER 39 Ca 0.27 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.22 2kan h SER 39 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2kan h SER 39 CO -0.03 0.19 -0.00 0.25 -1.14 0.00 0.00 176.83 176.10 2kan h LEU 40 N 0.00 -0.00 -1.24 5.07 5.85 -0.40 -2.64 115.31 121.95 2kan h LEU 40 Ca -0.00 -0.55 -0.06 0.00 0.84 0.00 0.00 57.88 58.11 2kan h LEU 40 Cb 1.07 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 2kan h LEU 40 CO 0.02 0.55 -0.09 0.11 -0.34 0.00 0.00 178.44 178.70 2kan h LYS 41 N -0.55 0.41 -0.01 1.25 1.57 -1.05 -1.73 116.57 116.46 2kan h LYS 41 Ca -0.00 -0.10 0.03 0.00 -1.87 0.00 0.00 60.65 58.71 2kan h LYS 41 Cb 0.55 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 2kan h LYS 41 CO 0.00 0.51 -0.22 -0.44 -0.57 0.00 0.00 179.45 178.74 2kan h ASP 42 N 0.39 -0.64 -0.76 0.86 3.32 -0.58 0.30 116.42 119.31 2kan h ASP 42 Ca 0.08 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 2kan h ASP 42 Cb 0.40 0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.19 2kan h ASP 42 CO 0.02 -0.28 0.38 0.11 -1.72 0.00 0.00 179.24 177.75 2kan h LYS 43 N -0.34 1.08 -0.55 3.56 1.57 -1.08 -1.57 116.57 119.24 2kan h LYS 43 Ca 0.06 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.61 2kan h LYS 43 Cb 0.42 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 2kan h LYS 43 CO -0.21 0.83 0.02 0.82 -0.57 0.00 0.00 179.45 180.35 2kan h ILE 44 N 1.06 1.25 -0.02 1.86 2.04 -1.05 -2.47 117.51 120.19 2kan h ILE 44 Ca 0.26 -1.04 -0.05 0.00 1.00 0.00 0.00 64.86 65.03 2kan h ILE 44 Cb 0.10 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 2kan h ILE 44 CO -0.04 0.37 -0.24 -0.74 0.00 0.00 0.00 178.15 177.51 2kan h HIS 45 N 0.85 0.03 -0.08 1.37 2.76 0.19 0.37 115.15 120.64 2kan h HIS 45 Ca 0.16 -0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.21 2kan h HIS 45 Cb 0.47 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.41 2kan h HIS 45 CO 0.03 0.27 -0.50 0.82 -1.30 0.00 0.00 177.93 177.25 2kan h ILE 46 N 0.03 1.35 0.00 6.26 2.04 -0.86 -3.33 117.51 123.00 2kan h ILE 46 Ca 0.00 -1.73 -0.05 0.00 1.00 0.00 0.00 64.86 64.09 2kan h ILE 46 Cb 0.44 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 2kan h ILE 46 CO 0.03 0.51 -0.36 0.58 0.00 0.00 0.00 178.15 178.91 2kan h VAL 47 N 0.16 0.73 -2.06 1.67 2.07 -0.97 -3.48 116.25 114.37 2kan h VAL 47 Ca 0.01 -1.65 -0.44 0.00 0.82 0.00 0.00 66.70 65.44 2kan h VAL 47 Cb 0.94 1.47 0.02 0.00 -1.52 0.00 0.00 31.29 32.20 2kan h VAL 47 CO 0.07 0.25 -0.25 -0.70 0.02 0.00 0.00 177.57 176.96 2kan s GLU 48 N -2.05 3.04 0.25 1.57 -6.30 0.12 -5.02 118.70 110.31 2kan s GLU 48 Ca -0.15 -0.88 0.12 0.00 -2.50 0.00 0.00 54.97 51.57 2kan s GLU 48 Cb 0.01 -2.73 0.16 0.00 0.00 0.00 0.00 34.13 31.57 2kan s GLU 48 CO 0.37 -0.10 1.48 -0.91 0.02 0.00 0.00 175.26 176.13 2kan h ASN 49 N 0.69 0.00 -2.32 -1.70 2.35 -1.85 -3.41 115.58 109.33 2kan h ASN 49 Ca -0.45 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 54.73 2kan h ASN 49 Cb 1.26 0.00 0.04 0.00 0.05 0.00 0.00 38.32 39.67 2kan h ASN 49 CO 0.53 0.66 0.98 0.41 -1.65 0.00 0.00 177.43 178.36 2kan n THR 50 N -3.45 0.24 -1.59 2.81 -1.04 -1.26 -4.96 114.28 105.03 2kan n THR 50 Ca 0.00 -0.04 -0.36 0.00 -2.04 0.00 0.00 64.05 61.61 2kan n THR 50 Cb 0.73 -1.83 0.08 0.00 -1.82 0.00 0.00 70.33 67.49 2kan n THR 50 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2kan s PRO 51 N 2.16 2.33 0.13 -2.82 0.02 -1.26 -4.58 135.00 130.98 2kan s PRO 51 Ca 0.82 1.96 -0.18 0.00 0.02 0.00 0.00 61.00 63.62 2kan s PRO 51 Cb -0.60 -1.83 -0.03 0.00 0.02 0.00 0.00 34.50 32.05 2kan s PRO 51 CO 0.40 -1.74 1.78 0.82 -0.33 0.00 0.00 177.00 177.93 2kan h ILE 52 N 0.16 1.09 0.00 2.83 2.04 -1.91 -2.72 117.51 119.00 2kan h ILE 52 Ca -0.50 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 2kan h ILE 52 Cb 1.32 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 38.08 2kan h ILE 52 CO 0.51 0.09 -0.05 0.11 0.00 0.00 0.00 178.15 178.81 2kan h LYS 53 N 0.39 0.00 0.00 2.37 1.57 -1.98 -3.11 116.57 115.80 2kan h LYS 53 Ca 0.11 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.62 2kan h LYS 53 Cb -0.02 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.24 2kan h LYS 53 CO -0.02 0.05 -1.63 0.00 -0.57 0.00 0.00 179.45 177.28 2kan h ARG 54 N 0.00 0.00 -5.78 3.15 -0.00 -1.82 -3.45 114.38 106.47 2kan h ARG 54 Ca -0.00 0.00 -0.58 0.00 -0.50 0.00 0.00 59.98 58.90 2kan h ARG 54 Cb 0.49 0.00 -0.08 0.00 0.00 0.00 0.00 29.97 30.38 2kan h ARG 54 CO 0.01 0.48 -0.06 0.00 0.00 0.00 0.00 179.97 180.39 2kan s MET 55 N -2.65 4.34 -0.09 0.04 0.23 -1.12 0.08 119.30 120.14 2kan s MET 55 Ca -0.04 0.55 -0.00 0.00 -1.03 0.00 0.00 55.69 55.17 2kan s MET 55 Cb 0.08 -3.46 -0.03 0.00 -1.53 0.00 0.00 34.83 29.89 2kan s MET 55 CO 0.82 0.09 -0.07 -0.65 -2.03 0.00 0.00 175.02 173.18 2kan s GLN 56 N 0.83 2.96 -0.20 3.16 -1.52 -0.04 -4.93 119.66 119.92 2kan s GLN 56 Ca 0.29 -0.55 -0.11 0.00 -1.95 0.00 0.00 55.36 53.03 2kan s GLN 56 Cb -0.16 -2.65 -0.05 0.00 -0.22 0.00 0.00 33.01 29.93 2kan s GLN 56 CO 0.12 0.56 0.18 -0.51 -0.25 0.00 0.00 175.29 175.39 2kan s LEU 57 N -0.52 4.20 -0.17 2.90 1.43 -1.26 -0.64 118.68 124.62 2kan s LEU 57 Ca 0.08 0.28 0.01 0.00 -1.03 0.00 0.00 54.13 53.46 2kan s LEU 57 Cb -0.12 -2.17 0.01 0.00 0.03 0.00 0.00 46.19 43.95 2kan s LEU 57 CO 0.02 0.13 -0.18 -0.31 0.23 0.00 0.00 176.35 176.24 2kan s TYR 58 N 0.54 2.77 -0.37 0.29 1.51 0.71 0.43 117.35 123.23 2kan s TYR 58 Ca 0.10 -1.44 -0.01 0.00 -1.01 0.00 0.00 57.07 54.71 2kan s TYR 58 Cb -0.12 -1.91 0.10 0.00 -0.11 0.00 0.00 41.96 39.92 2kan s TYR 58 CO 0.01 -0.70 0.13 -0.47 -1.11 0.00 0.00 175.55 173.41 2kan s TYR 59 N 1.14 3.56 -1.21 2.71 5.04 0.80 -0.60 117.35 128.80 2kan s TYR 59 Ca 0.01 -2.43 -0.05 0.00 -2.44 0.00 0.00 57.07 52.16 2kan s TYR 59 Cb -0.14 -2.93 0.03 0.00 0.35 0.00 0.00 41.96 39.27 2kan s TYR 59 CO -0.08 -0.93 0.29 0.43 -1.34 0.00 0.00 175.55 173.92 2kan n SER 60 N 4.53 -4.04 0.00 4.32 7.64 -1.26 -0.82 113.62 123.99 2kan n SER 60 Ca -0.03 -0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.72 2kan n SER 60 Cb 0.42 -3.37 0.00 0.00 -1.01 0.00 0.00 64.21 60.25 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 -1.05 2.31 3.67 0.23 0.00 -1.26 -5.08 105.19 104.01 2kan n GLY 61 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.26 5.31 -0.26 -0.61 1.09 0.00 -5.05 121.20 119.42 2kan s ILE 62 Ca 0.00 0.36 -0.29 0.00 -1.10 0.00 0.00 60.65 59.62 2kan s ILE 62 Cb 0.00 -3.57 0.01 0.00 -1.06 0.00 0.00 42.46 37.84 2kan s ILE 62 CO 0.00 0.32 1.07 -0.70 -0.10 0.00 0.00 174.94 175.53 2kan s GLU 63 N 1.08 4.19 -1.26 2.79 2.12 -1.26 -0.14 118.70 126.21 2kan s GLU 63 Ca 0.11 1.28 -0.15 0.00 0.36 0.00 0.00 54.97 56.57 2kan s GLU 63 Cb -0.14 -3.68 0.13 0.00 0.26 0.00 0.00 34.13 30.70 2kan s GLU 63 CO 0.05 -0.74 1.60 1.28 -0.54 0.00 0.00 175.26 176.92 2kan n LEU 64 N 6.55 5.21 -0.08 2.70 4.77 0.17 -4.64 117.00 131.67 2kan n LEU 64 Ca 0.12 -4.24 0.08 0.00 -0.03 0.00 0.00 56.01 51.94 2kan n LEU 64 Cb 0.46 -1.67 -0.07 0.00 -2.33 0.00 0.00 43.42 39.81 2kan n LEU 64 CO 0.55 0.53 0.03 0.00 -1.33 0.00 0.00 177.39 177.17 2kan n ALA 65 N 6.69 3.96 -2.92 -1.18 0.00 -1.26 -4.19 120.51 121.60 2kan n ALA 65 Ca 0.42 -0.49 -0.44 0.00 0.00 0.00 0.00 53.44 52.94 2kan n ALA 65 Cb 0.44 -0.60 -0.03 0.00 0.00 0.00 0.00 19.45 19.25 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 -2.44 6.38 0.57 0.00 1.01 -1.26 -4.86 116.67 116.06 2kan s ASP 66 Ca 0.08 -1.51 0.26 0.00 0.71 0.00 0.00 52.55 52.08 2kan s ASP 66 Cb 0.13 -2.39 1.62 0.00 1.01 0.00 0.00 42.92 43.29 2kan s ASP 66 CO 0.63 -1.23 2.18 -0.78 0.21 0.00 0.00 175.17 176.17 2kan h ASP 67 N 9.19 0.00 0.92 0.27 3.58 -1.93 -1.99 116.42 126.47 2kan h ASP 67 Ca -0.09 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.36 2kan h ASP 67 Cb 1.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.10 2kan h ASP 67 CO 1.14 0.00 -0.45 0.00 -2.88 0.00 0.00 179.24 177.05 2kan n TYR 68 N -4.04 0.50 -2.56 0.28 4.11 -1.26 -2.44 117.16 111.74 2kan n TYR 68 Ca -0.01 0.14 -0.24 0.00 -0.00 0.00 0.00 57.90 57.79 2kan n TYR 68 Cb 0.17 -0.63 0.03 0.00 -0.00 0.00 0.00 39.34 38.91 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 -3.12 2.73 0.43 -3.48 0.52 -0.75 -4.87 118.95 110.42 2kan s ARG 69 Ca 0.08 -0.35 0.08 0.00 -0.52 0.00 0.00 55.73 55.02 2kan s ARG 69 Cb 0.14 -2.37 -0.00 0.00 0.52 0.00 0.00 34.95 33.24 2kan s ARG 69 CO 0.68 -0.70 0.49 -0.80 0.02 0.00 0.00 175.30 175.00 2kan s ASN 70 N -4.35 5.36 0.30 0.23 0.01 -1.26 -0.03 114.94 115.20 2kan s ASN 70 Ca 0.54 -0.59 0.06 0.00 -0.71 0.00 0.00 52.86 52.17 2kan s ASN 70 Cb -0.10 -0.57 0.48 0.00 0.41 0.00 0.00 41.25 41.46 2kan s ASN 70 CO 0.42 -0.74 1.72 -0.07 -1.51 0.00 0.00 177.10 176.92 2kan h LEU 71 N 0.79 0.28 -1.82 0.60 3.38 -0.66 -2.68 115.31 115.20 2kan h LEU 71 Ca -0.40 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.43 2kan h LEU 71 Cb 1.27 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 2kan h LEU 71 CO 0.50 0.63 -0.13 -0.55 0.09 0.00 0.00 178.44 178.99 2kan h ASN 72 N 0.24 0.00 -0.39 -0.43 -1.07 -1.69 -1.54 115.58 110.70 2kan h ASN 72 Ca 0.03 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.38 2kan h ASN 72 Cb 0.76 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.99 2kan h ASN 72 CO 0.06 0.13 0.21 -0.33 0.07 0.00 0.00 177.43 177.56 2kan h GLU 73 N 0.00 0.59 0.00 4.14 4.39 -1.80 -2.13 114.58 119.77 2kan h GLU 73 Ca -0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.63 2kan h GLU 73 Cb 0.26 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2kan h GLU 73 CO 0.02 0.46 -0.75 0.66 -1.16 0.00 0.00 179.01 178.24 2kan n TYR 74 N -4.40 0.18 -1.83 4.33 4.01 -0.65 -4.98 117.16 113.81 2kan n TYR 74 Ca 0.03 0.05 -0.01 0.00 -0.16 0.00 0.00 57.90 57.81 2kan n TYR 74 Cb 0.12 -0.35 0.01 0.00 -0.31 0.00 0.00 39.34 38.81 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 1.43 0.60 3.61 2.72 0.00 -0.76 -5.04 105.19 107.74 2kan n GLY 75 Ca 0.04 -0.31 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.03 5.24 0.09 -0.61 1.01 -1.05 -5.03 121.20 117.83 2kan s ILE 76 Ca 0.02 0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.82 2kan s ILE 76 Cb -0.00 -3.47 0.01 0.00 0.01 0.00 0.00 42.46 39.01 2kan s ILE 76 CO 0.05 0.30 0.07 1.07 0.00 0.00 0.00 174.94 176.43 2kan n THR 77 N 4.69 0.00 -2.25 2.92 5.66 -1.26 -4.77 114.28 119.27 2kan n THR 77 Ca -0.15 -0.37 -0.33 0.00 -3.05 0.00 0.00 64.05 60.15 2kan n THR 77 Cb 0.52 -0.41 -0.01 0.00 -1.55 0.00 0.00 70.33 68.88 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 -2.38 3.52 -1.28 1.09 2.12 -1.26 -3.41 118.70 117.10 2kan s GLU 78 Ca 0.05 1.27 0.00 0.00 0.36 0.00 0.00 54.97 56.66 2kan s GLU 78 Cb -0.00 -2.06 0.00 0.00 0.26 0.00 0.00 34.13 32.33 2kan s GLU 78 CO 0.03 -0.66 0.00 1.19 -0.54 0.00 0.00 175.26 175.29 2kan n PHE 79 N -1.58 -0.11 -2.43 5.30 3.72 0.77 -4.95 117.46 118.17 2kan n PHE 79 Ca 0.09 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.12 2kan n PHE 79 Cb 0.53 -2.37 -0.03 0.00 -0.94 0.00 0.00 39.48 36.66 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 -2.79 6.54 -0.52 4.37 1.04 -1.22 -4.82 113.70 116.30 2kan s SER 80 Ca 0.00 2.15 -0.15 0.00 0.48 0.00 0.00 55.95 58.42 2kan s SER 80 Cb 0.00 -2.59 0.12 0.00 0.10 0.00 0.00 66.02 63.65 2kan s SER 80 CO 0.00 -0.65 0.47 -0.70 0.98 0.00 0.00 173.24 173.34 2kan s GLU 81 N -2.56 2.95 -0.48 4.02 2.12 -1.26 -0.44 118.70 123.04 2kan s GLU 81 Ca 0.60 -1.65 -0.19 0.00 0.36 0.00 0.00 54.97 54.09 2kan s GLU 81 Cb -0.25 -4.24 0.05 0.00 0.26 0.00 0.00 34.13 29.95 2kan s GLU 81 CO 0.31 -1.27 0.59 0.42 -0.54 0.00 0.00 175.26 174.77 2kan s ILE 82 N 1.59 4.91 -0.34 -3.70 -1.09 0.95 -4.20 121.20 119.32 2kan s ILE 82 Ca 0.03 -0.41 -0.21 0.00 -2.23 0.00 0.00 60.65 57.83 2kan s ILE 82 Cb -0.29 -4.25 0.00 0.00 -1.58 0.00 0.00 42.46 36.35 2kan s ILE 82 CO 0.03 -0.72 0.68 -0.69 -1.23 0.00 0.00 174.94 173.01 2kan s VAL 83 N 2.55 4.87 -0.46 2.92 1.01 0.24 -0.50 120.40 131.03 2kan s VAL 83 Ca 0.15 0.78 -0.17 0.00 0.00 0.00 0.00 61.98 62.74 2kan s VAL 83 Cb -0.18 -4.08 0.04 0.00 0.00 0.00 0.00 36.38 32.16 2kan s VAL 83 CO 0.13 -0.28 0.46 -0.69 0.00 0.00 0.00 175.10 174.72 2kan s VAL 84 N 2.77 5.08 -0.29 2.92 1.01 0.19 -0.21 120.40 131.88 2kan s VAL 84 Ca 0.27 -0.60 -0.15 0.00 0.00 0.00 0.00 61.98 61.50 2kan s VAL 84 Cb -0.14 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 2kan s VAL 84 CO 0.14 -0.55 0.37 -0.36 0.00 0.00 0.00 175.10 174.69 2kan s PHE 85 N 2.10 3.23 -0.25 5.22 0.08 0.19 -4.04 117.98 124.51 2kan s PHE 85 Ca 0.10 0.29 -0.24 0.00 0.12 0.00 0.00 56.93 57.21 2kan s PHE 85 Cb -0.20 -2.60 -0.01 0.00 -0.57 0.00 0.00 43.02 39.65 2kan s PHE 85 CO 0.11 -0.28 0.79 -0.51 -0.10 0.00 0.00 175.22 175.23 2kan s LEU 86 N 2.06 4.08 -1.29 -0.37 1.43 -1.26 -0.86 118.68 122.47 2kan s LEU 86 Ca 0.14 0.93 -0.09 0.00 -1.03 0.00 0.00 54.13 54.09 2kan s LEU 86 Cb -0.16 -3.12 0.16 0.00 0.03 0.00 0.00 46.19 43.10 2kan s LEU 86 CO 0.11 -0.51 1.96 0.29 0.23 0.00 0.00 176.35 178.43 2kan n LYS 87 N 5.99 3.79 -3.40 1.70 4.76 0.11 -4.76 118.16 126.35 2kan n LYS 87 Ca 0.04 -3.52 -0.18 0.00 -2.87 0.00 0.00 58.31 51.78 2kan n LYS 87 Cb 0.48 -2.87 -0.10 0.00 -1.84 0.00 0.00 35.03 30.70 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 0.73 1.71 0.00 4.39 0.01 -1.26 -4.87 113.70 114.41 2kan s SER 88 Ca 0.42 -1.04 0.03 0.00 1.31 0.00 0.00 55.95 56.67 2kan s SER 88 Cb 0.11 0.44 0.05 0.00 0.21 0.00 0.00 66.02 66.82 2kan s SER 88 CO -0.01 -0.36 0.76 2.30 0.41 0.00 0.00 173.24 176.34 2kan n ILE 89 N 5.00 0.32 -0.00 1.44 -5.35 -1.26 -4.55 119.36 114.96 2kan n ILE 89 Ca 0.01 -0.66 -0.17 0.00 -0.27 0.00 0.00 62.75 61.67 2kan n ILE 89 Cb 0.45 0.88 -0.14 0.00 -1.74 0.00 0.00 39.64 39.10 2kan n ILE 89 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2kan n ASN 90 N 0.06 1.66 -3.81 7.28 5.03 -1.26 -4.75 115.26 119.47 2kan n ASN 90 Ca 0.02 0.30 -0.29 0.00 0.87 0.00 0.00 54.58 55.49 2kan n ASN 90 Cb 0.15 -0.57 -0.16 0.00 -1.02 0.00 0.00 39.78 38.18 2kan n ASN 90 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 2kan s ARG 91 N -2.57 1.02 0.67 3.52 3.52 -1.26 -5.13 118.95 118.72 2kan s ARG 91 Ca -0.15 -0.62 -0.15 0.00 -0.13 0.00 0.00 55.73 54.68 2kan s ARG 91 Cb 0.07 -2.26 0.01 0.00 -1.56 0.00 0.00 34.95 31.20 2kan s ARG 91 CO 0.79 -0.61 1.12 0.00 -0.81 0.00 0.00 175.30 175.79 2kan s ALA 92 N 1.69 2.42 0.12 6.12 0.00 -1.26 -4.94 121.76 125.90 2kan s ALA 92 Ca -0.03 0.59 -0.07 0.00 0.00 0.00 0.00 51.96 52.45 2kan s ALA 92 Cb -0.18 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.59 2kan s ALA 92 CO -0.07 -1.36 0.18 -1.59 0.00 0.00 0.00 175.76 172.92 2kan s LYS 93 N -4.07 0.94 0.00 0.00 -2.85 -1.26 -5.13 119.74 107.36 2kan s LYS 93 Ca 0.68 -1.12 0.27 0.00 -1.00 0.00 0.00 55.97 54.79 2kan s LYS 93 Cb -0.22 0.33 0.74 0.00 -2.06 0.00 0.00 37.83 36.62 2kan s LYS 93 CO 0.42 -0.30 1.57 -3.47 0.10 0.00 0.00 175.35 173.67