#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kan n GLY 2 N 0.00 2.38 3.52 -5.12 0.00 -1.26 -5.16 105.19 99.55 2kan n GLY 2 Ca 0.00 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 2kan n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kan s HIS 3 N -1.46 2.81 -0.29 1.61 0.09 -1.26 -5.10 115.29 111.69 2kan s HIS 3 Ca 0.00 -0.09 -0.13 0.00 -0.00 0.00 0.00 55.06 54.85 2kan s HIS 3 Cb 0.00 -1.67 -0.04 0.00 -0.00 0.00 0.00 32.58 30.87 2kan s HIS 3 CO 0.00 0.24 0.25 -1.01 -0.00 0.00 0.00 174.74 174.23 2kan s HIS 4 N -0.74 3.23 0.17 1.40 4.02 -1.26 -5.07 115.29 117.03 2kan s HIS 4 Ca 0.11 0.13 0.10 0.00 1.02 0.00 0.00 55.06 56.42 2kan s HIS 4 Cb -0.11 -2.46 -0.04 0.00 -1.02 0.00 0.00 32.58 28.95 2kan s HIS 4 CO 0.01 -0.23 -0.19 -1.01 1.02 0.00 0.00 174.74 174.34 2kan s HIS 5 N 1.85 2.42 -0.06 1.40 0.09 -1.26 -5.03 115.29 114.70 2kan s HIS 5 Ca 0.09 -0.31 0.15 0.00 -0.00 0.00 0.00 55.06 54.99 2kan s HIS 5 Cb -0.16 -1.22 0.29 0.00 -0.00 0.00 0.00 32.58 31.50 2kan s HIS 5 CO 0.11 0.48 1.13 0.72 -0.00 0.00 0.00 174.74 177.18 2kan n HIS 6 N 0.33 0.00 -1.69 1.40 -0.00 -1.26 -5.07 115.22 108.92 2kan n HIS 6 Ca -0.13 -0.64 -0.42 0.00 -0.00 0.00 0.00 57.72 56.52 2kan n HIS 6 Cb 0.55 -0.14 -0.03 0.00 -0.00 0.00 0.00 29.99 30.37 2kan n HIS 6 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kan s HIS 7 N -1.07 1.31 -0.13 4.41 2.46 -1.26 -4.97 115.29 116.04 2kan s HIS 7 Ca 0.26 -0.27 -0.05 0.00 0.47 0.00 0.00 55.06 55.46 2kan s HIS 7 Cb 0.27 -4.18 -0.04 0.00 -0.13 0.00 0.00 32.58 28.50 2kan s HIS 7 CO -0.08 -5.23 0.06 -1.01 -2.47 0.00 0.00 174.74 166.01 2kan s HIS 8 N 5.00 3.31 -0.15 3.88 3.76 -1.26 -4.99 115.29 124.84 2kan s HIS 8 Ca 0.89 0.24 -0.04 0.00 -0.15 0.00 0.00 55.06 56.00 2kan s HIS 8 Cb -0.40 -1.93 -0.08 0.00 1.11 0.00 0.00 32.58 31.28 2kan s HIS 8 CO 0.40 0.43 2.92 -1.13 -0.85 0.00 0.00 174.74 176.51 2kan n SER 9 N 2.58 5.71 -3.86 1.40 3.41 -1.26 -4.81 113.62 116.79 2kan n SER 9 Ca -0.18 -2.71 -0.10 0.00 -0.26 0.00 0.00 58.87 55.62 2kan n SER 9 Cb 0.54 -1.28 -0.06 0.00 -0.26 0.00 0.00 64.21 63.15 2kan n SER 9 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2kan s HIS 10 N -0.18 0.16 -0.45 7.33 5.65 -1.26 -5.09 115.29 121.44 2kan s HIS 10 Ca 0.48 -0.51 -0.30 0.00 0.25 0.00 0.00 55.06 54.97 2kan s HIS 10 Cb 0.26 0.15 -0.10 0.00 -1.18 0.00 0.00 32.58 31.71 2kan s HIS 10 CO -0.05 -0.80 2.34 0.00 -0.65 0.00 0.00 174.74 175.57 2kan n ALA 11 N -0.27 1.03 -2.00 1.58 0.00 -1.26 -4.93 120.51 114.65 2kan n ALA 11 Ca -0.09 -0.41 -0.20 0.00 0.00 0.00 0.00 53.44 52.74 2kan n ALA 11 Cb 0.63 -2.80 0.05 0.00 0.00 0.00 0.00 19.45 17.33 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 9.34 4.24 0.45 0.00 0.00 -1.26 -5.07 121.76 129.45 2kan s ALA 12 Ca 1.08 -1.73 -0.23 0.00 0.00 0.00 0.00 51.96 51.07 2kan s ALA 12 Cb -0.58 -1.78 -0.08 0.00 0.00 0.00 0.00 23.12 20.68 2kan s ALA 12 CO 0.39 -0.82 1.16 0.54 0.00 0.00 0.00 175.76 177.03 2kan s VAL 13 N -2.72 3.13 -0.31 0.00 0.11 -1.26 -4.99 120.40 114.37 2kan s VAL 13 Ca 0.60 0.86 -0.19 0.00 -2.93 0.00 0.00 61.98 60.32 2kan s VAL 13 Cb -0.08 -3.44 -0.01 0.00 -1.53 0.00 0.00 36.38 31.32 2kan s VAL 13 CO 0.39 0.00 0.57 -0.13 -3.33 0.00 0.00 175.10 172.59 2kan s ARG 14 N -2.64 3.85 0.06 1.54 1.81 -1.26 -5.04 118.95 117.27 2kan s ARG 14 Ca 0.63 0.16 -0.25 0.00 -1.72 0.00 0.00 55.73 54.55 2kan s ARG 14 Cb -0.29 -3.73 -0.06 0.00 -0.45 0.00 0.00 34.95 30.42 2kan s ARG 14 CO 0.35 -0.54 0.75 0.15 -0.68 0.00 0.00 175.30 175.33 2kan s LYS 15 N 2.48 4.49 0.16 3.54 3.01 -1.26 -4.19 119.74 127.96 2kan s LYS 15 Ca 0.22 1.05 -0.18 0.00 -1.01 0.00 0.00 55.97 56.05 2kan s LYS 15 Cb -0.15 -3.34 -0.07 0.00 -1.01 0.00 0.00 37.83 33.25 2kan s LYS 15 CO 0.12 0.34 0.63 0.96 0.51 0.00 0.00 175.35 177.91 2kan s ILE 16 N -0.26 4.70 -0.58 2.17 -4.36 0.35 -4.81 121.20 118.41 2kan s ILE 16 Ca 0.37 1.11 -0.21 0.00 -0.26 0.00 0.00 60.65 61.67 2kan s ILE 16 Cb -0.21 -3.83 0.07 0.00 1.25 0.00 0.00 42.46 39.74 2kan s ILE 16 CO 0.23 0.30 0.79 -1.00 0.24 0.00 0.00 174.94 175.51 2kan s HIS 17 N -1.40 2.89 0.06 1.37 3.76 -1.26 -2.34 115.29 118.36 2kan s HIS 17 Ca 0.38 -0.56 -0.16 0.00 -0.15 0.00 0.00 55.06 54.57 2kan s HIS 17 Cb -0.17 -3.96 -0.06 0.00 1.11 0.00 0.00 32.58 29.50 2kan s HIS 17 CO 0.20 -1.33 0.49 0.14 -0.85 0.00 0.00 174.74 173.40 2kan s VAL 18 N 3.27 4.90 -0.40 -0.90 -7.23 -0.73 -0.50 120.40 118.81 2kan s VAL 18 Ca 0.19 0.95 -0.14 0.00 -1.81 0.00 0.00 61.98 61.17 2kan s VAL 18 Cb -0.19 -3.78 0.02 0.00 0.56 0.00 0.00 36.38 33.00 2kan s VAL 18 CO 0.11 0.49 0.27 -0.89 -0.31 0.00 0.00 175.10 174.78 2kan s THR 19 N -1.18 5.04 -0.33 5.32 2.01 0.72 -1.36 115.64 125.86 2kan s THR 19 Ca 0.29 -0.74 -0.20 0.00 0.31 0.00 0.00 61.69 61.34 2kan s THR 19 Cb -0.17 -3.82 -0.00 0.00 0.01 0.00 0.00 72.50 68.51 2kan s THR 19 CO 0.17 -0.30 0.62 -0.69 -0.69 0.00 0.00 174.62 173.73 2kan s VAL 20 N 1.64 4.93 -0.43 3.82 1.01 0.94 -0.22 120.40 132.09 2kan s VAL 20 Ca 0.04 0.73 -0.19 0.00 0.00 0.00 0.00 61.98 62.56 2kan s VAL 20 Cb -0.19 -4.02 0.02 0.00 0.00 0.00 0.00 36.38 32.19 2kan s VAL 20 CO 0.09 -0.20 0.52 -0.54 0.00 0.00 0.00 175.10 174.97 2kan s LYS 21 N 2.63 3.18 0.08 2.72 3.01 0.48 -2.39 119.74 129.45 2kan s LYS 21 Ca 0.24 -0.59 0.06 0.00 -1.01 0.00 0.00 55.97 54.68 2kan s LYS 21 Cb -0.15 -3.96 -0.04 0.00 -1.01 0.00 0.00 37.83 32.68 2kan s LYS 21 CO 0.13 -0.91 -0.09 -0.06 0.51 0.00 0.00 175.35 174.93 2kan s PHE 22 N 2.42 2.78 -0.93 3.18 0.40 -0.24 -1.77 117.98 123.82 2kan s PHE 22 Ca 0.16 -0.13 0.13 0.00 -0.60 0.00 0.00 56.93 56.49 2kan s PHE 22 Cb -0.16 -1.47 0.54 0.00 0.51 0.00 0.00 43.02 42.44 2kan s PHE 22 CO 0.16 0.41 1.40 -0.35 0.70 0.00 0.00 175.22 177.54 2kan n PRO 23 N 0.88 0.02 -0.07 0.24 -0.04 -1.26 -2.75 135.00 132.02 2kan n PRO 23 Ca -0.14 0.33 -0.17 0.00 -0.04 0.00 0.00 63.50 63.48 2kan n PRO 23 Cb 0.52 -1.55 -0.13 0.00 -0.04 0.00 0.00 33.50 32.30 2kan n PRO 23 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2kan n SER 24 N -1.59 1.69 -3.53 3.54 7.64 -1.26 -5.07 113.62 115.03 2kan n SER 24 Ca 0.02 0.06 -0.03 0.00 1.01 0.00 0.00 58.87 59.93 2kan n SER 24 Cb 0.14 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 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 1.26 -0.04 1.43 -2.85 -1.11 -5.17 119.74 110.72 2kan s LYS 25 Ca -0.25 -0.76 0.02 0.00 -1.00 0.00 0.00 55.97 53.99 2kan s LYS 25 Cb 0.08 0.39 0.01 0.00 -2.06 0.00 0.00 37.83 36.24 2kan s LYS 25 CO 0.71 -0.58 -0.09 -1.14 0.10 0.00 0.00 175.35 174.35 2kan s GLN 26 N -2.69 1.13 0.14 1.78 0.74 -1.26 -1.08 119.66 118.42 2kan s GLN 26 Ca 0.17 -0.30 -0.14 0.00 0.05 0.00 0.00 55.36 55.15 2kan s GLN 26 Cb -0.02 -1.02 0.02 0.00 1.10 0.00 0.00 33.01 33.09 2kan s GLN 26 CO 0.04 0.06 0.36 -0.59 -0.55 0.00 0.00 175.29 174.61 2kan s PHE 27 N 0.45 -0.02 -0.02 1.67 -0.71 -1.01 -5.01 117.98 113.34 2kan s PHE 27 Ca -0.08 -0.34 0.01 0.00 -1.04 0.00 0.00 56.93 55.48 2kan s PHE 27 Cb -0.12 0.17 -0.04 0.00 -1.21 0.00 0.00 43.02 41.83 2kan s PHE 27 CO 0.01 -0.72 -0.00 0.99 -1.34 0.00 0.00 175.22 174.16 2kan s THR 28 N -3.86 4.16 0.00 -4.49 2.01 -1.26 -0.04 115.64 112.17 2kan s THR 28 Ca 0.07 -0.53 0.04 0.00 0.31 0.00 0.00 61.69 61.58 2kan s THR 28 Cb 0.02 -2.83 -0.01 0.00 0.01 0.00 0.00 72.50 69.69 2kan s THR 28 CO -0.08 0.43 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.45 2kan s VAL 29 N -1.04 1.04 -0.46 3.82 1.01 -0.47 -4.97 120.40 119.33 2kan s VAL 29 Ca 0.18 -0.68 -0.22 0.00 0.00 0.00 0.00 61.98 61.26 2kan s VAL 29 Cb -0.11 -0.89 0.03 0.00 0.00 0.00 0.00 36.38 35.41 2kan s VAL 29 CO 0.08 0.20 0.74 -1.61 0.00 0.00 0.00 175.10 174.52 2kan s GLU 30 N -0.55 3.33 0.17 2.72 2.02 -1.26 -1.77 118.70 123.37 2kan s GLU 30 Ca 0.04 -0.28 0.11 0.00 0.02 0.00 0.00 54.97 54.86 2kan s GLU 30 Cb -0.06 -3.97 -0.04 0.00 0.10 0.00 0.00 34.13 30.16 2kan s GLU 30 CO 0.00 -1.13 -0.23 0.14 0.02 0.00 0.00 175.26 174.05 2kan s VAL 31 N 3.15 2.21 0.63 2.63 -7.23 -0.99 -4.94 120.40 115.87 2kan s VAL 31 Ca 0.26 -1.95 -0.16 0.00 -1.81 0.00 0.00 61.98 58.32 2kan s VAL 31 Cb -0.13 -2.03 -0.02 0.00 0.56 0.00 0.00 36.38 34.76 2kan s VAL 31 CO 0.20 -0.12 1.12 -0.62 -0.31 0.00 0.00 175.10 175.37 2kan s ASP 32 N -2.55 5.25 0.43 4.85 -1.08 -1.26 -0.50 116.67 121.81 2kan s ASP 32 Ca 0.18 2.06 0.18 0.00 -0.52 0.00 0.00 52.55 54.45 2kan s ASP 32 Cb -0.08 -2.56 0.96 0.00 -1.46 0.00 0.00 42.92 39.78 2kan s ASP 32 CO 0.08 -1.54 1.91 0.03 0.52 0.00 0.00 175.17 176.18 2kan h ARG 33 N 0.35 0.00 -0.66 4.34 3.08 -1.95 -1.93 114.38 117.61 2kan h ARG 33 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 2kan h ARG 33 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 2kan h ARG 33 CO 0.55 0.27 0.00 0.25 -1.07 0.00 0.00 179.97 179.97 2kan n THR 34 N -3.94 1.70 -1.70 2.04 -2.24 -1.26 -2.84 114.28 106.06 2kan n THR 34 Ca -0.02 -1.12 -0.44 0.00 -2.27 0.00 0.00 64.05 60.21 2kan n THR 34 Cb 0.35 0.12 -0.04 0.00 -2.10 0.00 0.00 70.33 68.67 2kan n THR 34 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2kan n GLU 35 N 1.12 2.52 -1.91 -0.78 4.07 -0.73 -4.62 120.64 120.31 2kan n GLU 35 Ca 0.25 0.91 -0.33 0.00 -0.06 0.00 0.00 57.16 57.93 2kan n GLU 35 Cb 0.85 -2.73 0.03 0.00 -0.06 0.00 0.00 31.44 29.53 2kan n GLU 35 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 2kan s THR 36 N 1.12 3.49 0.32 6.31 2.01 -1.26 -0.08 115.64 127.55 2kan s THR 36 Ca 0.77 0.71 0.01 0.00 0.31 0.00 0.00 61.69 63.49 2kan s THR 36 Cb -0.58 -3.23 0.21 0.00 0.01 0.00 0.00 72.50 68.91 2kan s THR 36 CO 0.35 -0.41 1.93 0.58 -0.69 0.00 0.00 174.62 176.37 2kan h VAL 37 N 0.28 1.19 -0.34 3.82 2.07 -0.56 0.31 116.25 123.02 2kan h VAL 37 Ca -0.47 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 66.47 2kan h VAL 37 Cb 1.24 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 2kan h VAL 37 CO 0.56 0.22 0.06 0.77 0.02 0.00 0.00 177.57 179.20 2kan h SER 38 N 0.82 0.46 0.80 0.57 4.64 -1.71 -1.51 113.55 117.62 2kan h SER 38 Ca 0.20 -0.07 -0.24 0.00 -0.47 0.00 0.00 61.79 61.22 2kan h SER 38 Cb 0.09 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 2kan h SER 38 CO -0.03 0.49 -1.11 0.28 -0.87 0.00 0.00 176.83 175.60 2kan h SER 39 N 0.49 0.21 -0.44 4.97 0.02 -1.33 -2.63 113.55 114.85 2kan h SER 39 Ca 0.11 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 60.82 2kan h SER 39 Cb 0.23 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 2kan h SER 39 CO -0.00 1.17 0.21 0.25 -1.14 0.00 0.00 176.83 177.32 2kan h LEU 40 N 0.04 0.58 -0.56 5.07 5.85 -0.16 0.91 115.31 127.04 2kan h LEU 40 Ca -0.07 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.55 2kan h LEU 40 Cb 1.85 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 42.69 2kan h LEU 40 CO 0.16 0.54 0.33 0.11 -0.34 0.00 0.00 178.44 179.25 2kan h LYS 41 N 0.57 0.63 -0.53 1.25 1.57 -1.26 -1.12 116.57 117.67 2kan h LYS 41 Ca 0.15 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 2kan h LYS 41 Cb 0.12 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 2kan h LYS 41 CO -0.02 0.41 0.20 0.22 -0.57 0.00 0.00 179.45 179.69 2kan h ASP 42 N 0.64 0.75 -0.23 0.86 3.58 -1.11 0.13 116.42 121.06 2kan h ASP 42 Ca 0.23 -0.18 0.05 0.00 0.42 0.00 0.00 57.03 57.55 2kan h ASP 42 Cb 0.06 -0.20 -0.05 0.00 1.72 0.00 0.00 39.33 40.86 2kan h ASP 42 CO -0.12 0.73 -0.09 0.11 -2.88 0.00 0.00 179.24 177.00 2kan h LYS 43 N 0.73 -0.05 -0.52 0.28 1.79 -0.36 0.01 116.57 118.46 2kan h LYS 43 Ca 0.18 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.55 2kan h LYS 43 Cb 0.23 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.87 2kan h LYS 43 CO -0.01 -0.03 -0.09 0.82 -1.08 0.00 0.00 179.45 179.06 2kan h ILE 44 N -0.05 1.26 -0.07 1.86 2.04 -1.01 -2.72 117.51 118.81 2kan h ILE 44 Ca 0.12 -1.21 -0.03 0.00 1.00 0.00 0.00 64.86 64.74 2kan h ILE 44 Cb 0.22 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 2kan h ILE 44 CO -0.26 0.43 -0.09 -0.74 0.00 0.00 0.00 178.15 177.48 2kan h HIS 45 N 0.85 0.11 -0.11 1.37 2.76 -0.05 0.50 115.15 120.58 2kan h HIS 45 Ca 0.14 -0.01 -0.20 0.00 -2.20 0.00 0.00 60.37 58.11 2kan h HIS 45 Cb 0.62 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.55 2kan h HIS 45 CO 0.04 0.21 -0.74 0.82 -1.30 0.00 0.00 177.93 176.95 2kan h ILE 46 N 0.10 1.34 0.00 6.26 2.04 -0.72 -3.34 117.51 123.19 2kan h ILE 46 Ca 0.02 -2.07 -0.03 0.00 1.00 0.00 0.00 64.86 63.79 2kan h ILE 46 Cb 0.24 2.05 -0.00 0.00 -0.74 0.00 0.00 36.82 38.36 2kan h ILE 46 CO 0.01 0.63 -0.15 0.58 0.00 0.00 0.00 178.15 179.23 2kan h VAL 47 N 0.38 1.70 -3.70 1.67 2.07 -1.11 -3.48 116.25 113.78 2kan h VAL 47 Ca -0.04 -2.33 -0.08 0.00 0.82 0.00 0.00 66.70 65.08 2kan h VAL 47 Cb 1.33 3.26 0.01 0.00 -1.52 0.00 0.00 31.29 34.38 2kan h VAL 47 CO 0.14 0.58 0.02 1.21 0.02 0.00 0.00 177.57 179.53 2kan n GLU 48 N -4.59 0.54 -0.13 1.57 0.00 0.17 -5.06 120.64 113.14 2kan n GLU 48 Ca -0.13 -0.46 -0.24 0.00 0.00 0.00 0.00 57.16 56.33 2kan n GLU 48 Cb 0.50 -0.10 -0.11 0.00 0.00 0.00 0.00 31.44 31.73 2kan n GLU 48 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2kan n ASN 49 N -2.98 1.97 -4.62 4.31 3.02 -1.26 -4.72 115.26 110.99 2kan n ASN 49 Ca 0.03 0.12 -0.56 0.00 -0.03 0.00 0.00 54.58 54.14 2kan n ASN 49 Cb 0.10 -0.64 -0.07 0.00 -0.61 0.00 0.00 39.78 38.56 2kan n ASN 49 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2kan n THR 50 N -3.78 0.08 -1.76 3.41 -1.04 -1.26 -4.92 114.28 105.01 2kan n THR 50 Ca -0.50 -0.01 -0.38 0.00 -2.04 0.00 0.00 64.05 61.12 2kan n THR 50 Cb 0.93 -0.78 0.05 0.00 -1.82 0.00 0.00 70.33 68.72 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 1.38 3.01 0.51 -2.82 0.02 -1.26 -4.67 135.00 131.17 2kan s PRO 51 Ca 0.91 2.22 0.18 0.00 0.02 0.00 0.00 61.00 64.32 2kan s PRO 51 Cb -1.07 -2.17 1.27 0.00 0.02 0.00 0.00 34.50 32.55 2kan s PRO 51 CO 0.56 -1.29 2.11 0.82 -0.33 0.00 0.00 177.00 178.87 2kan h ILE 52 N 1.26 0.95 -0.63 2.83 2.04 -1.90 -2.09 117.51 119.98 2kan h ILE 52 Ca -0.51 -0.23 -0.05 0.00 1.00 0.00 0.00 64.86 65.07 2kan h ILE 52 Cb 1.31 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 38.49 2kan h ILE 52 CO 0.56 0.06 0.20 0.11 0.00 0.00 0.00 178.15 179.09 2kan h LYS 53 N 0.00 0.94 0.06 2.37 1.57 -2.00 -3.31 116.57 116.20 2kan h LYS 53 Ca -0.00 -0.18 -0.34 0.00 -1.87 0.00 0.00 60.65 58.26 2kan h LYS 53 Cb 0.12 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 2kan h LYS 53 CO 0.01 0.81 -1.99 0.54 -0.57 0.00 0.00 179.45 178.25 2kan n ARG 54 N -4.28 0.70 -2.86 3.15 1.74 -0.82 -4.84 116.66 109.46 2kan n ARG 54 Ca 0.05 0.24 -0.41 0.00 -0.77 0.00 0.00 57.85 56.96 2kan n ARG 54 Cb 0.21 -1.70 -0.04 0.00 -1.02 0.00 0.00 32.46 29.91 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 -2.56 4.50 -0.08 5.56 0.23 -1.02 -3.22 119.30 122.72 2kan s MET 55 Ca -0.17 1.17 0.03 0.00 -1.03 0.00 0.00 55.69 55.69 2kan s MET 55 Cb 0.07 -3.45 -0.02 0.00 -1.53 0.00 0.00 34.83 29.90 2kan s MET 55 CO 0.77 0.00 -0.16 -0.65 -2.03 0.00 0.00 175.02 172.96 2kan s GLN 56 N 0.91 2.81 -0.17 3.16 -0.21 -0.98 -4.86 119.66 120.32 2kan s GLN 56 Ca 0.45 -0.73 -0.14 0.00 0.02 0.00 0.00 55.36 54.96 2kan s GLN 56 Cb -0.19 -2.42 -0.04 0.00 1.00 0.00 0.00 33.01 31.35 2kan s GLN 56 CO 0.23 0.44 0.32 -0.51 -2.12 0.00 0.00 175.29 173.66 2kan s LEU 57 N -0.26 4.22 -0.02 2.90 1.43 -1.26 -0.99 118.68 124.69 2kan s LEU 57 Ca 0.01 0.51 0.04 0.00 -1.03 0.00 0.00 54.13 53.66 2kan s LEU 57 Cb -0.13 -2.42 -0.01 0.00 0.03 0.00 0.00 46.19 43.67 2kan s LEU 57 CO 0.03 0.05 -0.14 -0.31 0.23 0.00 0.00 176.35 176.21 2kan s TYR 58 N 0.70 1.28 -0.22 0.29 1.51 0.16 -1.48 117.35 119.59 2kan s TYR 58 Ca 0.17 -0.29 0.01 0.00 -1.01 0.00 0.00 57.07 55.96 2kan s TYR 58 Cb -0.14 -0.85 0.05 0.00 -0.11 0.00 0.00 41.96 40.91 2kan s TYR 58 CO 0.05 -0.07 -0.10 -0.47 -1.11 0.00 0.00 175.55 173.86 2kan s TYR 59 N -0.12 2.63 0.00 2.71 5.04 0.30 -0.70 117.35 127.21 2kan s TYR 59 Ca 0.01 -1.81 0.00 0.00 -2.44 0.00 0.00 57.07 52.83 2kan s TYR 59 Cb -0.07 -1.70 0.00 0.00 0.35 0.00 0.00 41.96 40.53 2kan s TYR 59 CO 0.00 -0.79 0.00 0.45 -1.34 0.00 0.00 175.55 173.88 2kan n SER 60 N 4.62 0.00 0.00 4.32 2.88 -1.26 -0.22 113.62 123.96 2kan n SER 60 Ca -0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 2kan n SER 60 Cb 0.45 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 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 0.00 -2.20 3.68 0.46 0.00 -1.26 -5.07 105.19 100.81 2kan n GLY 61 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.11 5.33 -0.23 -0.61 1.01 0.70 -5.06 121.20 122.23 2kan s ILE 62 Ca 0.00 0.34 -0.29 0.00 0.00 0.00 0.00 60.65 60.70 2kan s ILE 62 Cb 0.00 -3.56 0.01 0.00 0.01 0.00 0.00 42.46 38.92 2kan s ILE 62 CO 0.00 0.35 1.02 -0.70 0.00 0.00 0.00 174.94 175.61 2kan s GLU 63 N 0.92 4.25 -1.29 2.79 2.12 -1.26 -0.54 118.70 125.70 2kan s GLU 63 Ca 0.11 1.32 -0.18 0.00 0.36 0.00 0.00 54.97 56.59 2kan s GLU 63 Cb -0.13 -3.64 0.08 0.00 0.26 0.00 0.00 34.13 30.69 2kan s GLU 63 CO 0.04 -0.62 1.71 -0.51 -0.54 0.00 0.00 175.26 175.34 2kan s LEU 64 N 3.16 3.91 -0.13 2.70 1.43 -0.55 -4.65 118.68 124.56 2kan s LEU 64 Ca 0.43 -2.46 0.08 0.00 -1.03 0.00 0.00 54.13 51.16 2kan s LEU 64 Cb -0.15 -2.57 -0.23 0.00 0.03 0.00 0.00 46.19 43.27 2kan s LEU 64 CO 0.06 -1.15 0.33 0.00 0.23 0.00 0.00 176.35 175.82 2kan n ALA 65 N 8.23 1.35 -2.14 4.21 0.00 -1.26 -4.65 120.51 126.24 2kan n ALA 65 Ca 0.48 -0.91 -0.36 0.00 0.00 0.00 0.00 53.44 52.65 2kan n ALA 65 Cb 0.46 -0.55 -0.04 0.00 0.00 0.00 0.00 19.45 19.32 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 -6.21 5.43 0.44 0.00 1.01 -1.26 -4.79 116.67 111.29 2kan s ASP 66 Ca -0.14 -0.16 0.19 0.00 0.71 0.00 0.00 52.55 53.15 2kan s ASP 66 Cb 0.07 -2.54 1.03 0.00 1.01 0.00 0.00 42.92 42.49 2kan s ASP 66 CO 0.78 -2.35 1.93 -0.78 0.21 0.00 0.00 175.17 174.97 2kan h ASP 67 N 12.99 0.00 1.01 0.27 3.58 -1.95 -2.18 116.42 130.15 2kan h ASP 67 Ca -0.14 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.31 2kan h ASP 67 Cb 1.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.15 2kan h ASP 67 CO 1.24 0.25 -0.13 0.00 -2.88 0.00 0.00 179.24 177.72 2kan n TYR 68 N -3.89 0.24 -2.35 0.28 4.11 -1.26 -2.41 117.16 111.88 2kan n TYR 68 Ca -0.02 0.07 -0.27 0.00 -0.00 0.00 0.00 57.90 57.68 2kan n TYR 68 Cb 0.33 -0.57 0.03 0.00 -0.00 0.00 0.00 39.34 39.14 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 -3.03 2.91 0.37 -3.48 0.52 -0.82 -4.86 118.95 110.55 2kan s ARG 69 Ca 0.12 0.04 0.08 0.00 -0.52 0.00 0.00 55.73 55.44 2kan s ARG 69 Cb 0.17 -2.25 -0.02 0.00 0.52 0.00 0.00 34.95 33.37 2kan s ARG 69 CO 0.59 -0.74 0.33 -0.80 0.02 0.00 0.00 175.30 174.70 2kan s ASN 70 N -4.31 5.21 0.24 0.23 -0.87 -1.26 -0.05 114.94 114.12 2kan s ASN 70 Ca 0.54 -0.59 -0.05 0.00 -1.57 0.00 0.00 52.86 51.20 2kan s ASN 70 Cb -0.11 -0.82 0.25 0.00 -0.02 0.00 0.00 41.25 40.56 2kan s ASN 70 CO 0.46 -0.47 1.77 -0.07 -2.57 0.00 0.00 177.10 176.22 2kan h LEU 71 N 1.15 0.95 -2.19 0.60 3.38 -0.68 -2.15 115.31 116.38 2kan h LEU 71 Ca -0.43 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.37 2kan h LEU 71 Cb 1.26 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 2kan h LEU 71 CO 0.58 0.91 0.04 -0.55 0.09 0.00 0.00 178.44 179.51 2kan h ASN 72 N 0.97 0.00 -0.34 -0.43 -1.07 -1.78 -1.15 115.58 111.78 2kan h ASN 72 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.58 2kan h ASN 72 Cb 0.33 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.56 2kan h ASN 72 CO -0.00 0.00 0.22 -0.33 0.07 0.00 0.00 177.43 177.39 2kan h GLU 73 N 0.00 0.44 -0.01 4.14 4.39 -1.72 -1.96 114.58 119.86 2kan h GLU 73 Ca 0.02 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kan h GLU 73 Cb 0.11 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 2kan h GLU 73 CO -0.00 0.29 -0.48 0.66 -1.16 0.00 0.00 179.01 178.32 2kan n TYR 74 N -4.49 0.00 -1.56 4.33 4.01 -0.49 -4.95 117.16 114.02 2kan n TYR 74 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 2kan n TYR 74 Cb 0.07 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 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 1.41 0.44 3.62 2.72 0.00 -0.74 -4.99 105.19 107.66 2kan n GLY 75 Ca 0.09 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 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 3.72 0.00 -0.61 1.01 -0.89 -4.98 121.20 117.45 2kan s ILE 76 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 60.65 61.45 2kan s ILE 76 Cb 0.00 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.67 2kan s ILE 76 CO 0.00 -0.39 0.00 1.07 0.00 0.00 0.00 174.94 175.62 2kan n THR 77 N 6.65 0.00 -2.61 2.92 5.66 -1.26 -4.64 114.28 121.00 2kan n THR 77 Ca 0.19 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.86 2kan n THR 77 Cb 0.46 -0.83 -0.05 0.00 -1.55 0.00 0.00 70.33 68.36 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 -1.27 3.99 -0.97 1.09 2.12 -1.26 -3.45 118.70 118.94 2kan s GLU 78 Ca 0.00 1.18 0.00 0.00 0.36 0.00 0.00 54.97 56.51 2kan s GLU 78 Cb 0.00 -2.14 0.00 0.00 0.26 0.00 0.00 34.13 32.25 2kan s GLU 78 CO 0.00 -0.25 0.00 1.19 -0.54 0.00 0.00 175.26 175.66 2kan n PHE 79 N -0.99 -0.10 -2.49 5.30 3.72 0.34 -4.95 117.46 118.30 2kan n PHE 79 Ca 0.08 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.05 2kan n PHE 79 Cb 0.53 -1.97 -0.03 0.00 -0.94 0.00 0.00 39.48 37.08 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 -2.83 7.09 -0.69 4.37 1.04 -1.22 -4.79 113.70 116.67 2kan s SER 80 Ca 0.00 1.81 -0.24 0.00 0.48 0.00 0.00 55.95 58.00 2kan s SER 80 Cb 0.00 -2.56 0.06 0.00 0.10 0.00 0.00 66.02 63.62 2kan s SER 80 CO 0.00 -0.53 1.06 -1.61 0.98 0.00 0.00 173.24 173.14 2kan s GLU 81 N 1.93 3.15 -0.42 4.02 2.02 -1.26 -0.20 118.70 127.94 2kan s GLU 81 Ca 0.55 -0.70 -0.25 0.00 0.02 0.00 0.00 54.97 54.59 2kan s GLU 81 Cb -0.25 -4.25 0.02 0.00 0.10 0.00 0.00 34.13 29.76 2kan s GLU 81 CO 0.23 -1.91 0.92 0.42 0.02 0.00 0.00 175.26 174.94 2kan s ILE 82 N 4.51 4.52 -0.40 -1.63 -1.09 0.70 -4.36 121.20 123.45 2kan s ILE 82 Ca 0.26 0.93 -0.20 0.00 -2.23 0.00 0.00 60.65 59.41 2kan s ILE 82 Cb -0.14 -4.39 0.01 0.00 -1.58 0.00 0.00 42.46 36.37 2kan s ILE 82 CO 0.11 -0.70 0.63 -0.69 -1.23 0.00 0.00 174.94 173.06 2kan s VAL 83 N 3.63 4.86 -0.42 2.92 1.01 0.12 -0.39 120.40 132.14 2kan s VAL 83 Ca 0.37 0.31 -0.16 0.00 0.00 0.00 0.00 61.98 62.51 2kan s VAL 83 Cb -0.11 -4.14 0.02 0.00 0.00 0.00 0.00 36.38 32.15 2kan s VAL 83 CO 0.23 -0.46 0.35 -0.69 0.00 0.00 0.00 175.10 174.53 2kan s VAL 84 N 2.75 5.20 -0.45 2.92 1.01 -0.73 -0.67 120.40 130.43 2kan s VAL 84 Ca 0.23 -0.55 -0.21 0.00 0.00 0.00 0.00 61.98 61.45 2kan s VAL 84 Cb -0.14 -3.97 0.03 0.00 0.00 0.00 0.00 36.38 32.29 2kan s VAL 84 CO 0.17 -0.36 0.69 -0.36 0.00 0.00 0.00 175.10 175.24 2kan s PHE 85 N 1.85 3.03 -0.51 5.22 0.08 -0.16 -4.59 117.98 122.90 2kan s PHE 85 Ca 0.08 -0.04 -0.27 0.00 0.12 0.00 0.00 56.93 56.82 2kan s PHE 85 Cb -0.18 -3.47 0.03 0.00 -0.57 0.00 0.00 43.02 38.82 2kan s PHE 85 CO 0.11 -0.93 1.04 -0.51 -0.10 0.00 0.00 175.22 174.83 2kan s LEU 86 N 2.98 3.81 0.00 -0.37 1.43 -1.26 -2.33 118.68 122.93 2kan s LEU 86 Ca 0.24 0.11 0.30 0.00 -1.03 0.00 0.00 54.13 53.75 2kan s LEU 86 Cb -0.14 -3.20 1.39 0.00 0.03 0.00 0.00 46.19 44.26 2kan s LEU 86 CO 0.19 -1.23 1.96 0.29 0.23 0.00 0.00 176.35 177.79 2kan n LYS 87 N 7.68 0.58 -2.51 1.70 4.76 -1.20 -4.46 118.16 124.71 2kan n LYS 87 Ca 0.07 -0.12 -0.43 0.00 -2.87 0.00 0.00 58.31 54.97 2kan n LYS 87 Cb 0.49 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.18 2kan n LYS 87 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2kan n SER 88 N -1.11 4.84 0.06 4.39 2.88 -1.26 -4.69 113.62 118.74 2kan n SER 88 Ca 0.15 -2.93 -0.01 0.00 -1.33 0.00 0.00 58.87 54.75 2kan n SER 88 Cb 0.25 -1.70 0.26 0.00 -0.75 0.00 0.00 64.21 62.28 2kan n SER 88 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 2kan h ILE 89 N 5.12 1.25 -1.88 2.46 3.07 -1.99 -3.36 117.51 122.18 2kan h ILE 89 Ca 0.44 -1.20 -0.51 0.00 1.55 0.00 0.00 64.86 65.14 2kan h ILE 89 Cb 0.83 1.39 -0.07 0.00 -0.27 0.00 0.00 36.82 38.70 2kan h ILE 89 CO 1.49 0.37 1.18 0.21 -1.05 0.00 0.00 178.15 180.36 2kan s ASN 90 N -6.84 5.85 -0.60 2.16 3.84 -1.26 -4.95 114.94 113.14 2kan s ASN 90 Ca -0.06 -0.40 -0.26 0.00 0.21 0.00 0.00 52.86 52.35 2kan s ASN 90 Cb 0.14 -2.55 0.04 0.00 -0.55 0.00 0.00 41.25 38.33 2kan s ASN 90 CO 0.77 -2.04 1.07 -0.13 -2.79 0.00 0.00 177.10 173.98 2kan s ARG 91 N 6.13 3.34 0.00 0.43 0.52 -1.26 -4.92 118.95 123.20 2kan s ARG 91 Ca 0.50 -0.17 0.00 0.00 -0.52 0.00 0.00 55.73 55.54 2kan s ARG 91 Cb -0.08 -4.08 0.00 0.00 0.52 0.00 0.00 34.95 31.31 2kan s ARG 91 CO 0.11 -1.68 0.00 0.00 0.02 0.00 0.00 175.30 173.75 2kan n ALA 92 N 8.07 0.00 -0.17 2.13 0.00 -1.26 -5.11 120.51 124.17 2kan n ALA 92 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2kan n ALA 92 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 0.00 0.00 0.00 0.00 5.02 -1.26 -5.03 118.16 116.89 2kan n LYS 93 Ca 0.00 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 2kan n LYS 93 Cb 0.00 -0.80 0.00 0.00 -0.02 0.00 0.00 35.03 34.21 2kan n LYS 93 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41