#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 3.05 3.53 -5.12 0.00 -1.26 -5.01 105.19 100.38 2kan n GLY 2 Ca 0.00 0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.09 -0.31 -0.67 1.61 3.76 -1.26 -5.10 115.29 113.23 2kan s HIS 3 Ca 0.00 -0.00 -0.02 0.00 -0.15 0.00 0.00 55.06 54.88 2kan s HIS 3 Cb 0.00 0.51 0.17 0.00 1.11 0.00 0.00 32.58 34.37 2kan s HIS 3 CO 0.00 -0.94 0.49 -1.01 -0.85 0.00 0.00 174.74 172.43 2kan s HIS 4 N -3.83 3.47 -0.79 1.40 0.09 -1.26 -4.58 115.29 109.79 2kan s HIS 4 Ca 0.06 -2.81 -0.25 0.00 -0.00 0.00 0.00 55.06 52.06 2kan s HIS 4 Cb -0.02 -3.17 0.05 0.00 -0.00 0.00 0.00 32.58 29.44 2kan s HIS 4 CO -0.06 -0.81 1.23 -1.58 -0.00 0.00 0.00 174.74 173.53 2kan s HIS 5 N -0.35 2.47 -0.26 1.40 5.04 -1.26 -4.98 115.29 117.36 2kan s HIS 5 Ca 0.19 -0.40 -0.29 0.00 -1.54 0.00 0.00 55.06 53.02 2kan s HIS 5 Cb -0.18 -4.54 -0.01 0.00 0.04 0.00 0.00 32.58 27.89 2kan s HIS 5 CO -0.05 -1.91 1.37 -1.58 -2.34 0.00 0.00 174.74 170.23 2kan s HIS 6 N 5.00 2.56 0.17 3.88 2.46 -1.26 -4.89 115.29 123.21 2kan s HIS 6 Ca 0.34 0.80 0.10 0.00 0.47 0.00 0.00 55.06 56.77 2kan s HIS 6 Cb -0.08 -3.87 -0.04 0.00 -0.13 0.00 0.00 32.58 28.45 2kan s HIS 6 CO 0.08 -2.03 -0.17 -3.38 -2.47 0.00 0.00 174.74 166.77 2kan s HIS 7 N 4.44 2.50 -0.38 3.88 -0.00 -1.26 -5.08 115.29 119.38 2kan s HIS 7 Ca 0.60 -0.28 0.02 0.00 -0.00 0.00 0.00 55.06 55.41 2kan s HIS 7 Cb -0.20 -1.26 0.16 0.00 -0.00 0.00 0.00 32.58 31.28 2kan s HIS 7 CO 0.23 0.47 0.32 -3.38 -0.00 0.00 0.00 174.74 172.38 2kan s HIS 8 N -1.52 0.49 -0.09 0.38 -3.43 -1.26 -5.12 115.29 104.74 2kan s HIS 8 Ca 0.21 -1.63 -0.29 0.00 -0.80 0.00 0.00 55.06 52.55 2kan s HIS 8 Cb -0.09 -0.73 -0.05 0.00 -1.43 0.00 0.00 32.58 30.27 2kan s HIS 8 CO 0.12 -0.88 1.73 -1.12 -2.00 0.00 0.00 174.74 172.59 2kan s SER 9 N 0.79 6.49 0.40 7.38 0.01 -1.26 -4.87 113.70 122.65 2kan s SER 9 Ca 0.23 2.15 0.26 0.00 1.31 0.00 0.00 55.95 59.90 2kan s SER 9 Cb -0.11 -2.53 0.70 0.00 0.21 0.00 0.00 66.02 64.28 2kan s SER 9 CO -0.07 -1.09 1.73 1.12 0.41 0.00 0.00 173.24 175.34 2kan h HIS 10 N 10.32 0.00 -4.37 2.43 2.07 -2.02 -3.45 115.15 120.13 2kan h HIS 10 Ca -0.40 0.00 -0.51 0.00 -2.85 0.00 0.00 60.37 56.62 2kan h HIS 10 Cb 1.19 0.00 0.07 0.00 2.57 0.00 0.00 27.41 31.24 2kan h HIS 10 CO 0.91 0.00 0.41 0.00 -3.07 0.00 0.00 177.93 176.17 2kan s ALA 11 N -3.28 2.98 -0.58 6.11 0.00 -1.26 -4.96 121.76 120.77 2kan s ALA 11 Ca 0.06 -0.09 -0.27 0.00 0.00 0.00 0.00 51.96 51.66 2kan s ALA 11 Cb 0.08 -3.09 -0.01 0.00 0.00 0.00 0.00 23.12 20.10 2kan s ALA 11 CO 0.61 -0.87 1.74 0.00 0.00 0.00 0.00 175.76 177.23 2kan s ALA 12 N -3.18 2.41 -0.03 0.00 0.00 -1.26 -4.96 121.76 114.74 2kan s ALA 12 Ca 0.56 -0.59 0.04 0.00 0.00 0.00 0.00 51.96 51.98 2kan s ALA 12 Cb -0.12 -4.23 -0.00 0.00 0.00 0.00 0.00 23.12 18.77 2kan s ALA 12 CO 0.54 -3.53 -0.16 0.54 0.00 0.00 0.00 175.76 173.15 2kan s VAL 13 N 8.06 1.31 0.05 0.00 0.11 -1.26 -5.14 120.40 123.53 2kan s VAL 13 Ca 0.64 -0.67 0.09 0.00 -2.93 0.00 0.00 61.98 59.11 2kan s VAL 13 Cb -0.13 -1.12 -0.03 0.00 -1.53 0.00 0.00 36.38 33.57 2kan s VAL 13 CO 0.23 0.38 -0.24 -0.13 -3.33 0.00 0.00 175.10 172.01 2kan s ARG 14 N -0.06 1.85 0.28 1.54 3.00 -1.26 -5.07 118.95 119.24 2kan s ARG 14 Ca -0.01 -1.09 -0.29 0.00 0.00 0.00 0.00 55.73 54.33 2kan s ARG 14 Cb -0.10 -2.04 -0.10 0.00 0.00 0.00 0.00 34.95 32.71 2kan s ARG 14 CO 0.01 0.51 1.34 0.15 0.00 0.00 0.00 175.30 177.31 2kan s LYS 15 N -1.39 4.35 0.28 3.54 3.01 -1.26 -4.43 119.74 123.83 2kan s LYS 15 Ca 0.13 2.19 0.06 0.00 -1.01 0.00 0.00 55.97 57.34 2kan s LYS 15 Cb -0.10 -3.11 -0.02 0.00 -1.01 0.00 0.00 37.83 33.59 2kan s LYS 15 CO 0.04 -0.25 0.41 0.96 0.51 0.00 0.00 175.35 177.02 2kan s ILE 16 N -0.57 4.72 -0.38 2.17 -4.36 0.18 -4.82 121.20 118.13 2kan s ILE 16 Ca 0.53 -0.99 -0.09 0.00 -0.26 0.00 0.00 60.65 59.85 2kan s ILE 16 Cb -0.39 -3.65 0.05 0.00 1.25 0.00 0.00 42.46 39.71 2kan s ILE 16 CO 0.47 -0.25 0.20 -1.00 0.24 0.00 0.00 174.94 174.59 2kan s HIS 17 N -2.07 3.28 0.04 1.37 3.76 -1.26 -1.24 115.29 119.18 2kan s HIS 17 Ca 0.39 -1.31 -0.06 0.00 -0.15 0.00 0.00 55.06 53.93 2kan s HIS 17 Cb -0.09 -2.58 -0.05 0.00 1.11 0.00 0.00 32.58 30.96 2kan s HIS 17 CO 0.30 -0.75 0.29 0.14 -0.85 0.00 0.00 174.74 173.88 2kan s VAL 18 N 1.46 5.27 -0.36 -0.90 -7.23 -0.07 0.26 120.40 118.82 2kan s VAL 18 Ca 0.01 0.12 -0.12 0.00 -1.81 0.00 0.00 61.98 60.19 2kan s VAL 18 Cb -0.21 -3.59 0.01 0.00 0.56 0.00 0.00 36.38 33.15 2kan s VAL 18 CO 0.04 0.28 0.21 -0.89 -0.31 0.00 0.00 175.10 174.43 2kan s THR 19 N -1.39 4.79 -0.28 5.32 2.01 0.12 -1.18 115.64 125.04 2kan s THR 19 Ca 0.31 -0.62 -0.16 0.00 0.31 0.00 0.00 61.69 61.53 2kan s THR 19 Cb -0.13 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 2kan s THR 19 CO 0.19 -0.14 0.43 -0.69 -0.69 0.00 0.00 174.62 173.72 2kan s VAL 20 N 1.61 5.13 -0.45 3.82 1.01 0.94 0.38 120.40 132.85 2kan s VAL 20 Ca 0.04 0.60 -0.16 0.00 0.00 0.00 0.00 61.98 62.46 2kan s VAL 20 Cb -0.18 -3.77 0.05 0.00 0.00 0.00 0.00 36.38 32.48 2kan s VAL 20 CO 0.08 0.08 0.37 -0.54 0.00 0.00 0.00 175.10 175.09 2kan s LYS 21 N 2.17 2.99 0.12 2.72 1.02 -0.12 -1.94 119.74 126.71 2kan s LYS 21 Ca 0.17 -1.18 0.08 0.00 0.02 0.00 0.00 55.97 55.06 2kan s LYS 21 Cb -0.16 -4.07 -0.04 0.00 -0.52 0.00 0.00 37.83 33.05 2kan s LYS 21 CO 0.10 -0.92 -0.14 -0.06 -0.92 0.00 0.00 175.35 173.41 2kan s PHE 22 N 1.71 2.61 0.58 3.18 0.08 -0.02 -2.18 117.98 123.94 2kan s PHE 22 Ca 0.05 -0.23 0.30 0.00 0.12 0.00 0.00 56.93 57.18 2kan s PHE 22 Cb -0.22 -1.36 1.84 0.00 -0.57 0.00 0.00 43.02 42.71 2kan s PHE 22 CO 0.08 0.42 2.25 -1.00 -0.10 0.00 0.00 175.22 176.88 2kan h PRO 23 N 3.56 0.00 0.03 0.24 0.13 -1.97 -2.60 132.00 131.39 2kan h PRO 23 Ca -0.49 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2kan h PRO 23 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2kan h PRO 23 CO 0.49 0.01 -0.01 0.77 -0.23 0.00 0.00 178.00 179.02 2kan h SER 24 N 0.00 -0.03 -5.48 1.44 0.02 -2.00 -3.49 113.55 104.00 2kan h SER 24 Ca -0.00 -0.56 0.21 0.00 -0.84 0.00 0.00 61.79 60.60 2kan h SER 24 Cb 0.02 0.01 -0.07 0.00 0.14 0.00 0.00 62.40 62.50 2kan h SER 24 CO 0.00 0.56 0.62 -1.59 -1.14 0.00 0.00 176.83 175.28 2kan s LYS 25 N -3.73 1.03 -0.11 3.45 -2.85 -0.98 -5.16 119.74 111.39 2kan s LYS 25 Ca -0.16 -0.62 0.02 0.00 -1.00 0.00 0.00 55.97 54.21 2kan s LYS 25 Cb 0.01 0.32 0.01 0.00 -2.06 0.00 0.00 37.83 36.11 2kan s LYS 25 CO 0.64 -0.48 -0.17 -1.14 0.10 0.00 0.00 175.35 174.30 2kan s GLN 26 N -2.62 2.45 0.17 1.78 0.74 -1.26 -0.84 119.66 120.09 2kan s GLN 26 Ca 0.17 -0.65 -0.03 0.00 0.05 0.00 0.00 55.36 54.90 2kan s GLN 26 Cb -0.01 -2.03 -0.03 0.00 1.10 0.00 0.00 33.01 32.05 2kan s GLN 26 CO 0.02 -0.02 0.16 -0.59 -0.55 0.00 0.00 175.29 174.31 2kan s PHE 27 N 0.86 0.85 -0.05 1.67 -0.71 -0.82 -4.98 117.98 114.81 2kan s PHE 27 Ca -0.08 -1.17 0.02 0.00 -1.04 0.00 0.00 56.93 54.66 2kan s PHE 27 Cb -0.15 -0.38 -0.03 0.00 -1.21 0.00 0.00 43.02 41.25 2kan s PHE 27 CO -0.00 -0.65 -0.07 0.99 -1.34 0.00 0.00 175.22 174.15 2kan s THR 28 N -4.08 3.65 0.02 -4.49 2.01 -1.26 -0.04 115.64 111.46 2kan s THR 28 Ca 0.29 -0.58 0.05 0.00 0.31 0.00 0.00 61.69 61.76 2kan s THR 28 Cb 0.06 -2.52 -0.02 0.00 0.01 0.00 0.00 72.50 70.03 2kan s THR 28 CO 0.06 0.54 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.68 2kan s VAL 29 N -0.86 1.31 -0.26 3.82 1.01 -0.33 -4.95 120.40 120.14 2kan s VAL 29 Ca 0.14 -0.90 -0.16 0.00 0.00 0.00 0.00 61.98 61.06 2kan s VAL 29 Cb -0.11 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 2kan s VAL 29 CO 0.03 0.21 0.41 -1.61 0.00 0.00 0.00 175.10 174.14 2kan s GLU 30 N -0.81 4.04 0.05 2.72 2.02 -1.26 -0.90 118.70 124.56 2kan s GLU 30 Ca 0.05 0.11 0.02 0.00 0.02 0.00 0.00 54.97 55.17 2kan s GLU 30 Cb -0.07 -3.65 -0.03 0.00 0.10 0.00 0.00 34.13 30.48 2kan s GLU 30 CO 0.01 -0.28 -0.06 0.14 0.02 0.00 0.00 175.26 175.08 2kan s VAL 31 N 2.09 0.46 0.61 2.63 -7.23 -0.37 -4.92 120.40 113.67 2kan s VAL 31 Ca 0.17 -1.23 -0.15 0.00 -1.81 0.00 0.00 61.98 58.96 2kan s VAL 31 Cb -0.16 -0.77 -0.03 0.00 0.56 0.00 0.00 36.38 35.99 2kan s VAL 31 CO 0.10 -0.52 1.05 -0.62 -0.31 0.00 0.00 175.10 174.80 2kan s ASP 32 N -1.87 5.80 0.26 4.85 -1.08 -1.26 0.49 116.67 123.86 2kan s ASP 32 Ca -0.07 1.74 0.04 0.00 -0.52 0.00 0.00 52.55 53.75 2kan s ASP 32 Cb -0.07 -2.52 0.32 0.00 -1.46 0.00 0.00 42.92 39.19 2kan s ASP 32 CO -0.01 -1.15 1.62 0.03 0.52 0.00 0.00 175.17 176.17 2kan h ARG 33 N 0.25 0.30 -0.59 4.34 3.08 -1.93 -2.59 114.38 117.24 2kan h ARG 33 Ca -0.46 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.42 2kan h ARG 33 Cb 1.21 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.28 2kan h ARG 33 CO 0.58 0.73 0.00 0.25 -1.07 0.00 0.00 179.97 180.46 2kan n THR 34 N -3.96 1.15 -2.44 2.04 -2.24 -1.26 -1.12 114.28 106.45 2kan n THR 34 Ca -0.02 -0.80 -0.39 0.00 -2.27 0.00 0.00 64.05 60.57 2kan n THR 34 Cb 0.55 0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 68.84 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 -1.64 4.43 0.41 -0.78 2.12 -0.98 -4.73 118.70 117.53 2kan s GLU 35 Ca 0.36 1.76 -0.11 0.00 0.36 0.00 0.00 54.97 57.34 2kan s GLU 35 Cb 0.22 -2.96 -0.07 0.00 0.26 0.00 0.00 34.13 31.59 2kan s GLU 35 CO 0.19 0.03 0.79 0.95 -0.54 0.00 0.00 175.26 176.69 2kan s THR 36 N -1.31 4.75 0.52 -1.70 -4.23 -1.26 -0.89 115.64 111.52 2kan s THR 36 Ca 0.50 0.70 0.19 0.00 -1.18 0.00 0.00 61.69 61.89 2kan s THR 36 Cb -0.30 -3.73 0.30 0.00 1.34 0.00 0.00 72.50 70.12 2kan s THR 36 CO 0.38 -0.53 2.11 0.58 -0.54 0.00 0.00 174.62 176.62 2kan h VAL 37 N 1.10 0.93 -0.69 2.29 2.07 -1.21 -0.36 116.25 120.38 2kan h VAL 37 Ca -0.47 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 2kan h VAL 37 Cb 1.19 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 2kan h VAL 37 CO 0.64 0.00 0.35 -1.28 0.02 0.00 0.00 177.57 177.29 2kan h SER 38 N 0.00 0.90 0.29 0.57 0.87 -1.70 -0.81 113.55 113.66 2kan h SER 38 Ca 0.07 -0.12 -0.15 0.00 -1.23 0.00 0.00 61.79 60.35 2kan h SER 38 Cb 0.26 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 2kan h SER 38 CO -0.00 0.76 -0.60 0.28 -0.53 0.00 0.00 176.83 176.74 2kan h SER 39 N 0.96 0.36 0.22 6.23 0.02 -1.36 -1.88 113.55 118.10 2kan h SER 39 Ca 0.24 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2kan h SER 39 Cb 0.09 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.53 2kan h SER 39 CO -0.03 0.87 -0.11 0.25 -1.14 0.00 0.00 176.83 176.68 2kan h LEU 40 N 0.23 -0.25 -0.60 5.07 5.85 -0.83 -1.01 115.31 123.76 2kan h LEU 40 Ca -0.01 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.75 2kan h LEU 40 Cb 1.12 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 42.17 2kan h LEU 40 CO 0.10 -0.16 0.35 0.11 -0.34 0.00 0.00 178.44 178.49 2kan h LYS 41 N -0.32 0.64 -0.31 1.25 1.57 -1.09 -2.02 116.57 116.29 2kan h LYS 41 Ca -0.03 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.75 2kan h LYS 41 Cb 0.24 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 2kan h LYS 41 CO 0.05 0.43 0.07 0.22 -0.57 0.00 0.00 179.45 179.64 2kan h ASP 42 N 0.66 0.03 -0.17 0.86 3.58 -1.07 0.20 116.42 120.51 2kan h ASP 42 Ca 0.26 0.05 0.01 0.00 0.42 0.00 0.00 57.03 57.76 2kan h ASP 42 Cb 0.10 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 2kan h ASP 42 CO -0.14 0.05 0.09 0.11 -2.88 0.00 0.00 179.24 176.47 2kan h LYS 43 N 0.18 0.18 -0.76 0.28 1.57 -0.86 -1.96 116.57 115.22 2kan h LYS 43 Ca 0.14 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 2kan h LYS 43 Cb 0.14 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 2kan h LYS 43 CO -0.18 0.12 0.43 0.82 -0.57 0.00 0.00 179.45 180.07 2kan h ILE 44 N 0.19 1.22 0.00 1.86 2.04 -1.02 -1.04 117.51 120.75 2kan h ILE 44 Ca 0.07 -0.52 -0.04 0.00 1.00 0.00 0.00 64.86 65.37 2kan h ILE 44 Cb 0.01 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 2kan h ILE 44 CO -0.04 0.24 -0.20 -0.74 0.00 0.00 0.00 178.15 177.40 2kan h HIS 45 N 1.05 0.00 -0.01 1.37 2.76 -0.56 0.39 115.15 120.15 2kan h HIS 45 Ca 0.27 0.00 -0.23 0.00 -2.20 0.00 0.00 60.37 58.21 2kan h HIS 45 Cb -0.00 0.00 0.01 0.00 1.55 0.00 0.00 27.41 28.96 2kan h HIS 45 CO 0.01 0.20 -0.95 0.82 -1.30 0.00 0.00 177.93 176.71 2kan h ILE 46 N 0.00 1.36 0.01 6.26 2.04 -0.46 -3.36 117.51 123.37 2kan h ILE 46 Ca -0.00 -2.36 -0.00 0.00 1.00 0.00 0.00 64.86 63.50 2kan h ILE 46 Cb 0.36 2.37 0.00 0.00 -0.74 0.00 0.00 36.82 38.81 2kan h ILE 46 CO 0.03 0.71 -0.00 0.58 0.00 0.00 0.00 178.15 179.46 2kan h VAL 47 N 0.29 1.48 -2.71 1.67 2.07 -0.89 -3.46 116.25 114.71 2kan h VAL 47 Ca -0.09 -2.01 -0.66 0.00 0.82 0.00 0.00 66.70 64.76 2kan h VAL 47 Cb 1.59 2.76 -0.06 0.00 -1.52 0.00 0.00 31.29 34.05 2kan h VAL 47 CO 0.17 0.49 -0.46 -0.70 0.02 0.00 0.00 177.57 177.09 2kan s GLU 48 N -2.36 3.48 -0.06 1.57 -6.30 0.13 -4.98 118.70 110.18 2kan s GLU 48 Ca -0.16 -0.12 -0.00 0.00 -2.50 0.00 0.00 54.97 52.18 2kan s GLU 48 Cb -0.02 -3.17 0.03 0.00 0.00 0.00 0.00 34.13 30.97 2kan s GLU 48 CO 0.59 0.75 2.08 0.09 0.02 0.00 0.00 175.26 178.78 2kan n ASN 49 N 1.73 5.57 -4.18 -1.70 3.02 -1.26 -4.37 115.26 114.07 2kan n ASN 49 Ca -0.17 -2.54 -0.34 0.00 -0.03 0.00 0.00 54.58 51.49 2kan n ASN 49 Cb 0.54 -1.13 -0.15 0.00 -0.61 0.00 0.00 39.78 38.43 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 -0.41 2.63 0.35 3.41 2.01 -1.26 -5.10 115.64 117.26 2kan s THR 50 Ca 0.09 -0.93 -0.26 0.00 0.31 0.00 0.00 61.69 60.90 2kan s THR 50 Cb 0.06 -2.24 -0.12 0.00 0.01 0.00 0.00 72.50 70.21 2kan s THR 50 CO -0.00 0.35 0.99 -2.65 -0.69 0.00 0.00 174.62 172.62 2kan n PRO 51 N 4.66 1.33 0.23 4.92 -0.02 -1.26 -4.62 135.00 140.25 2kan n PRO 51 Ca -0.18 0.47 0.07 0.00 -2.02 0.00 0.00 63.50 61.84 2kan n PRO 51 Cb 0.49 -1.92 0.56 0.00 -0.02 0.00 0.00 33.50 32.60 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 1.75 0.98 0.00 4.25 2.04 -1.92 -1.08 117.51 123.53 2kan h ILE 52 Ca -0.42 -0.67 -0.00 0.00 1.00 0.00 0.00 64.86 64.77 2kan h ILE 52 Cb 1.34 1.38 -0.00 0.00 -0.74 0.00 0.00 36.82 38.80 2kan h ILE 52 CO 0.58 0.18 -0.01 0.11 0.00 0.00 0.00 178.15 179.02 2kan h LYS 53 N 0.00 0.00 0.11 2.37 1.57 -2.01 -3.08 116.57 115.52 2kan h LYS 53 Ca -0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.41 2kan h LYS 53 Cb 0.36 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 2kan h LYS 53 CO 0.02 0.01 -2.04 0.54 -0.57 0.00 0.00 179.45 177.42 2kan n ARG 54 N -3.12 0.75 -3.31 3.15 1.74 -0.42 -4.82 116.66 110.63 2kan n ARG 54 Ca -0.01 0.26 -0.39 0.00 -0.77 0.00 0.00 57.85 56.94 2kan n ARG 54 Cb 0.20 -1.69 -0.07 0.00 -1.02 0.00 0.00 32.46 29.88 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 -2.55 4.16 -0.14 5.56 0.23 -1.15 -0.57 119.30 124.84 2kan s MET 55 Ca -0.24 0.30 -0.04 0.00 -1.03 0.00 0.00 55.69 54.68 2kan s MET 55 Cb 0.07 -3.57 -0.03 0.00 -1.53 0.00 0.00 34.83 29.77 2kan s MET 55 CO 0.75 -0.14 0.01 -0.65 -2.03 0.00 0.00 175.02 172.96 2kan s GLN 56 N 1.61 3.52 -0.15 3.16 -1.52 0.12 -4.87 119.66 121.53 2kan s GLN 56 Ca 0.21 -0.42 -0.17 0.00 -1.95 0.00 0.00 55.36 53.03 2kan s GLN 56 Cb -0.15 -2.96 -0.04 0.00 -0.22 0.00 0.00 33.01 29.63 2kan s GLN 56 CO 0.09 0.43 0.42 -0.51 -0.25 0.00 0.00 175.29 175.47 2kan s LEU 57 N -0.11 4.23 -0.01 2.90 1.43 -1.26 -1.14 118.68 124.72 2kan s LEU 57 Ca 0.04 0.67 0.04 0.00 -1.03 0.00 0.00 54.13 53.86 2kan s LEU 57 Cb -0.13 -2.58 -0.01 0.00 0.03 0.00 0.00 46.19 43.50 2kan s LEU 57 CO 0.02 -0.01 -0.15 -0.31 0.23 0.00 0.00 176.35 176.13 2kan s TYR 58 N 0.83 1.34 -0.11 0.29 1.51 -0.55 -2.17 117.35 118.48 2kan s TYR 58 Ca 0.22 -0.27 -0.03 0.00 -1.01 0.00 0.00 57.07 55.99 2kan s TYR 58 Cb -0.15 -0.87 0.04 0.00 -0.11 0.00 0.00 41.96 40.88 2kan s TYR 58 CO 0.08 -0.04 0.04 -0.47 -1.11 0.00 0.00 175.55 174.06 2kan s TYR 59 N -0.30 0.52 -1.25 2.71 5.04 -0.62 -0.69 117.35 122.77 2kan s TYR 59 Ca 0.05 -0.26 -0.03 0.00 -2.44 0.00 0.00 57.07 54.39 2kan s TYR 59 Cb -0.06 -0.76 0.02 0.00 0.35 0.00 0.00 41.96 41.51 2kan s TYR 59 CO -0.00 -0.40 0.23 -1.13 -1.34 0.00 0.00 175.55 172.90 2kan n SER 60 N 5.19 -4.32 0.00 4.32 3.41 -1.26 0.03 113.62 120.99 2kan n SER 60 Ca -0.07 -0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 2kan n SER 60 Cb 0.49 -3.60 0.00 0.00 -0.26 0.00 0.00 64.21 60.84 2kan n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kan n GLY 61 N -1.03 0.80 3.69 5.00 0.00 -1.26 -5.03 105.19 107.35 2kan n GLY 61 Ca -0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.15 5.13 -0.29 -0.61 1.01 0.10 -5.04 121.20 118.35 2kan s ILE 62 Ca 0.00 0.99 -0.28 0.00 0.00 0.00 0.00 60.65 61.37 2kan s ILE 62 Cb 0.00 -3.85 0.01 0.00 0.01 0.00 0.00 42.46 38.63 2kan s ILE 62 CO 0.00 0.23 1.00 -0.70 0.00 0.00 0.00 174.94 175.47 2kan s GLU 63 N 1.27 4.10 -1.34 2.79 2.12 -1.26 -1.59 118.70 124.79 2kan s GLU 63 Ca 0.26 1.04 -0.15 0.00 0.36 0.00 0.00 54.97 56.48 2kan s GLU 63 Cb -0.15 -3.71 0.09 0.00 0.26 0.00 0.00 34.13 30.62 2kan s GLU 63 CO 0.10 -0.77 1.87 1.28 -0.54 0.00 0.00 175.26 177.20 2kan n LEU 64 N 6.57 5.81 0.04 2.70 4.77 -0.92 -4.63 117.00 131.34 2kan n LEU 64 Ca 0.10 -4.16 0.09 0.00 -0.03 0.00 0.00 56.01 52.01 2kan n LEU 64 Cb 0.47 -1.67 -0.09 0.00 -2.33 0.00 0.00 43.42 39.80 2kan n LEU 64 CO 0.55 0.69 -0.40 0.00 -1.33 0.00 0.00 177.39 176.91 2kan n ALA 65 N 6.71 2.50 -2.50 -1.18 0.00 -1.26 -4.71 120.51 120.06 2kan n ALA 65 Ca 0.47 -0.45 -0.42 0.00 0.00 0.00 0.00 53.44 53.04 2kan n ALA 65 Cb 0.42 -0.89 -0.10 0.00 0.00 0.00 0.00 19.45 18.88 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 -5.08 6.15 0.47 0.00 1.01 -1.26 -4.68 116.67 113.28 2kan s ASP 66 Ca -0.04 -0.57 0.26 0.00 0.71 0.00 0.00 52.55 52.91 2kan s ASP 66 Cb 0.11 -2.19 0.71 0.00 1.01 0.00 0.00 42.92 42.56 2kan s ASP 66 CO 0.84 -0.42 1.74 0.44 0.21 0.00 0.00 175.17 177.98 2kan h ASP 67 N 8.59 0.00 0.55 0.27 3.32 -1.93 -3.13 116.42 124.09 2kan h ASP 67 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 2kan h ASP 67 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.68 2kan h ASP 67 CO 0.72 0.03 -0.33 0.00 -1.72 0.00 0.00 179.24 177.94 2kan n TYR 68 N -3.11 0.00 -2.78 4.55 0.18 -1.26 -2.03 117.16 112.71 2kan n TYR 68 Ca 0.03 0.00 -0.32 0.00 1.88 0.00 0.00 57.90 59.48 2kan n TYR 68 Cb 0.46 -0.28 -0.05 0.00 -0.38 0.00 0.00 39.34 39.09 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 -2.89 4.06 0.48 -3.48 0.52 -1.18 -4.88 118.95 111.57 2kan s ARG 69 Ca 0.15 0.91 -0.08 0.00 -0.52 0.00 0.00 55.73 56.19 2kan s ARG 69 Cb 0.18 -2.25 -0.05 0.00 0.52 0.00 0.00 34.95 33.36 2kan s ARG 69 CO 0.62 -0.05 0.82 -0.80 0.02 0.00 0.00 175.30 175.91 2kan s ASN 70 N -2.54 6.35 0.30 0.23 -0.87 -1.26 -1.99 114.94 115.15 2kan s ASN 70 Ca 0.58 1.07 0.03 0.00 -1.57 0.00 0.00 52.86 52.97 2kan s ASN 70 Cb -0.10 -2.31 0.47 0.00 -0.02 0.00 0.00 41.25 39.30 2kan s ASN 70 CO 0.21 -0.56 1.78 -0.07 -2.57 0.00 0.00 177.10 175.89 2kan h LEU 71 N 0.48 0.52 -1.71 0.60 3.38 -0.92 -2.16 115.31 115.50 2kan h LEU 71 Ca -0.47 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.33 2kan h LEU 71 Cb 1.20 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2kan h LEU 71 CO 0.62 0.68 -0.18 -0.55 0.09 0.00 0.00 178.44 179.11 2kan h ASN 72 N 0.50 0.00 -0.68 -0.43 -1.07 -1.34 -0.90 115.58 111.66 2kan h ASN 72 Ca 0.09 0.00 0.04 0.00 0.07 0.00 0.00 56.30 56.50 2kan h ASN 72 Cb 0.51 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.71 2kan h ASN 72 CO 0.03 0.18 0.41 -0.33 0.07 0.00 0.00 177.43 177.79 2kan h GLU 73 N 0.00 0.76 0.00 4.14 4.39 -1.67 -1.00 114.58 121.20 2kan h GLU 73 Ca -0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2kan h GLU 73 Cb 0.38 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2kan h GLU 73 CO 0.02 0.50 0.00 0.66 -1.16 0.00 0.00 179.01 179.04 2kan n TYR 74 N -4.72 0.15 -1.44 4.33 4.01 -0.91 -4.89 117.16 113.69 2kan n TYR 74 Ca 0.08 0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 2kan n TYR 74 Cb 0.12 -0.57 0.00 0.00 -0.31 0.00 0.00 39.34 38.58 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 1.32 0.86 3.62 2.72 0.00 -0.38 -5.02 105.19 108.31 2kan n GLY 75 Ca 0.06 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.05 4.32 0.08 -0.61 1.01 -0.39 -4.99 121.20 118.56 2kan s ILE 76 Ca 0.00 1.45 0.01 0.00 0.00 0.00 0.00 60.65 62.11 2kan s ILE 76 Cb 0.00 -4.43 0.01 0.00 0.01 0.00 0.00 42.46 38.05 2kan s ILE 76 CO 0.00 -0.68 0.08 1.07 0.00 0.00 0.00 174.94 175.41 2kan n THR 77 N 6.32 0.00 -2.34 2.92 5.66 -1.26 -4.48 114.28 121.10 2kan n THR 77 Ca 0.13 -0.30 -0.35 0.00 -3.05 0.00 0.00 64.05 60.48 2kan n THR 77 Cb 0.48 -0.61 -0.01 0.00 -1.55 0.00 0.00 70.33 68.64 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 -2.34 3.52 -1.31 1.09 2.12 -1.26 -3.19 118.70 117.33 2kan s GLU 78 Ca 0.06 1.56 0.00 0.00 0.36 0.00 0.00 54.97 56.95 2kan s GLU 78 Cb -0.00 -2.08 0.00 0.00 0.26 0.00 0.00 34.13 32.31 2kan s GLU 78 CO 0.04 -0.70 0.00 0.34 -0.54 0.00 0.00 175.26 174.40 2kan n PHE 79 N -1.11 -0.43 -2.40 5.30 7.35 0.14 -4.94 117.46 121.37 2kan n PHE 79 Ca 0.10 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.37 2kan n PHE 79 Cb 0.51 -2.83 -0.03 0.00 0.35 0.00 0.00 39.48 37.48 2kan n PHE 79 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 2kan s SER 80 N -2.54 7.00 -0.52 -2.13 1.04 -1.19 -4.81 113.70 110.55 2kan s SER 80 Ca 0.00 1.89 -0.21 0.00 0.48 0.00 0.00 55.95 58.10 2kan s SER 80 Cb 0.00 -2.56 0.05 0.00 0.10 0.00 0.00 66.02 63.61 2kan s SER 80 CO 0.00 -0.62 0.76 -0.70 0.98 0.00 0.00 173.24 173.66 2kan s GLU 81 N 2.28 3.23 -0.39 4.02 2.12 -1.26 -0.70 118.70 127.99 2kan s GLU 81 Ca 0.58 -0.57 -0.21 0.00 0.36 0.00 0.00 54.97 55.13 2kan s GLU 81 Cb -0.26 -4.06 0.01 0.00 0.26 0.00 0.00 34.13 30.08 2kan s GLU 81 CO 0.23 -1.30 0.67 0.42 -0.54 0.00 0.00 175.26 174.74 2kan s ILE 82 N 3.18 4.83 -0.35 -3.70 -1.09 0.16 -4.53 121.20 119.69 2kan s ILE 82 Ca 0.22 0.45 -0.22 0.00 -2.23 0.00 0.00 60.65 58.87 2kan s ILE 82 Cb -0.16 -4.16 0.01 0.00 -1.58 0.00 0.00 42.46 36.57 2kan s ILE 82 CO 0.16 -0.46 0.73 -0.69 -1.23 0.00 0.00 174.94 173.45 2kan s VAL 83 N 2.85 4.79 -0.40 2.92 1.01 0.13 -0.94 120.40 130.77 2kan s VAL 83 Ca 0.25 0.82 -0.20 0.00 0.00 0.00 0.00 61.98 62.85 2kan s VAL 83 Cb -0.14 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 32.10 2kan s VAL 83 CO 0.17 -0.37 0.60 -0.69 0.00 0.00 0.00 175.10 174.82 2kan s VAL 84 N 2.95 4.89 -0.27 2.92 1.01 -0.93 -1.49 120.40 129.49 2kan s VAL 84 Ca 0.29 0.25 -0.11 0.00 0.00 0.00 0.00 61.98 62.41 2kan s VAL 84 Cb -0.14 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.08 2kan s VAL 84 CO 0.16 -0.44 0.20 -0.36 0.00 0.00 0.00 175.10 174.66 2kan s PHE 85 N 2.67 3.25 0.19 5.22 0.08 -0.29 -4.78 117.98 124.31 2kan s PHE 85 Ca 0.22 0.18 -0.15 0.00 0.12 0.00 0.00 56.93 57.30 2kan s PHE 85 Cb -0.15 -2.37 -0.07 0.00 -0.57 0.00 0.00 43.02 39.86 2kan s PHE 85 CO 0.17 -0.11 0.61 -0.51 -0.10 0.00 0.00 175.22 175.28 2kan s LEU 86 N 1.61 4.30 0.00 -0.37 1.43 -1.26 -0.70 118.68 123.69 2kan s LEU 86 Ca 0.08 1.16 -0.02 0.00 -1.03 0.00 0.00 54.13 54.32 2kan s LEU 86 Cb -0.15 -3.46 0.03 0.00 0.03 0.00 0.00 46.19 42.63 2kan s LEU 86 CO 0.09 0.04 0.12 0.29 0.23 0.00 0.00 176.35 177.12 2kan n LYS 87 N 0.58 -0.85 -2.06 1.70 4.76 0.26 -4.91 118.16 117.65 2kan n LYS 87 Ca -0.03 -0.19 -0.40 0.00 -2.87 0.00 0.00 58.31 54.82 2kan n LYS 87 Cb 0.52 -0.15 -0.03 0.00 -1.84 0.00 0.00 35.03 33.53 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 -1.69 5.56 0.33 4.39 0.01 -1.26 -4.97 113.70 116.07 2kan s SER 88 Ca 0.07 0.67 0.08 0.00 1.31 0.00 0.00 55.95 58.08 2kan s SER 88 Cb -0.01 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 2kan s SER 88 CO 0.05 -2.09 0.18 0.27 0.41 0.00 0.00 173.24 172.07 2kan s ILE 89 N 8.07 3.31 0.40 1.44 -4.36 -1.26 -5.12 121.20 123.68 2kan s ILE 89 Ca 0.70 -1.59 -0.16 0.00 -0.26 0.00 0.00 60.65 59.34 2kan s ILE 89 Cb -0.16 -3.06 -0.09 0.00 1.25 0.00 0.00 42.46 40.41 2kan s ILE 89 CO 0.26 -0.21 0.83 0.54 0.24 0.00 0.00 174.94 176.60 2kan s ASN 90 N -3.88 6.73 0.45 4.36 4.22 -1.26 -5.04 114.94 120.52 2kan s ASN 90 Ca 0.38 1.39 -0.22 0.00 -2.14 0.00 0.00 52.86 52.26 2kan s ASN 90 Cb -0.04 -2.42 -0.08 0.00 1.28 0.00 0.00 41.25 39.98 2kan s ASN 90 CO 0.24 -0.34 1.08 0.00 -2.04 0.00 0.00 177.10 176.04 2kan s ARG 91 N -3.38 3.91 0.92 3.55 1.70 -1.26 -5.04 118.95 119.35 2kan s ARG 91 Ca 0.56 1.55 -0.12 0.00 -0.47 0.00 0.00 55.73 57.25 2kan s ARG 91 Cb -0.10 -2.36 0.14 0.00 -0.57 0.00 0.00 34.95 32.06 2kan s ARG 91 CO 0.21 -0.37 1.11 0.00 -1.08 0.00 0.00 175.30 175.18 2kan s ALA 92 N -1.71 1.55 0.15 7.88 0.00 -1.26 -5.09 121.76 123.28 2kan s ALA 92 Ca 0.63 -0.37 -0.15 0.00 0.00 0.00 0.00 51.96 52.07 2kan s ALA 92 Cb -0.23 -3.09 0.03 0.00 0.00 0.00 0.00 23.12 19.83 2kan s ALA 92 CO 0.28 -2.39 0.41 -1.59 0.00 0.00 0.00 175.76 172.46 2kan s LYS 93 N -5.12 1.16 0.00 0.00 0.00 -1.26 -5.34 119.74 109.19 2kan s LYS 93 Ca 0.64 -0.83 0.25 0.00 0.00 0.00 0.00 55.97 56.03 2kan s LYS 93 Cb -0.16 0.47 0.35 0.00 0.00 0.00 0.00 37.83 38.49 2kan s LYS 93 CO 0.55 -0.46 1.35 -3.47 0.00 0.00 0.00 175.35 173.33