#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 -0.54 0.18 -5.12 0.00 -1.26 -4.97 105.19 93.48 2kan n GLY 2 Ca 0.00 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 2kan n GLY 2 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2kan h HIS 3 N 0.00 0.71 -3.22 1.61 -0.00 -2.08 -3.42 115.15 108.75 2kan h HIS 3 Ca 0.00 -0.35 -0.57 0.00 -0.00 0.00 0.00 60.37 59.46 2kan h HIS 3 Cb 0.00 -0.10 -0.05 0.00 -0.00 0.00 0.00 27.41 27.26 2kan h HIS 3 CO 0.00 1.15 1.00 -1.58 -0.00 0.00 0.00 177.93 178.50 2kan s HIS 4 N -3.49 2.60 0.54 5.26 5.04 -1.26 -4.99 115.29 118.99 2kan s HIS 4 Ca -0.07 0.80 0.05 0.00 -1.54 0.00 0.00 55.06 54.29 2kan s HIS 4 Cb 0.09 -4.07 0.03 0.00 0.04 0.00 0.00 32.58 28.68 2kan s HIS 4 CO 0.87 -1.77 0.35 -1.01 -2.34 0.00 0.00 174.74 170.83 2kan s HIS 5 N 4.72 1.63 -0.45 3.88 3.76 -1.26 -4.86 115.29 122.70 2kan s HIS 5 Ca 0.57 -0.87 -0.13 0.00 -0.15 0.00 0.00 55.06 54.49 2kan s HIS 5 Cb -0.15 -1.86 0.08 0.00 1.11 0.00 0.00 32.58 31.76 2kan s HIS 5 CO 0.27 -0.38 0.34 -1.58 -0.85 0.00 0.00 174.74 172.54 2kan s HIS 6 N -2.80 3.29 0.30 1.40 2.46 -1.26 -5.07 115.29 113.61 2kan s HIS 6 Ca 0.29 -1.22 -0.13 0.00 0.47 0.00 0.00 55.06 54.48 2kan s HIS 6 Cb -0.02 -3.13 -0.08 0.00 -0.13 0.00 0.00 32.58 29.22 2kan s HIS 6 CO 0.18 -0.84 0.68 -3.38 -2.47 0.00 0.00 174.74 168.92 2kan s HIS 7 N 1.54 3.40 0.59 3.88 -3.43 -1.26 -5.06 115.29 114.95 2kan s HIS 7 Ca 0.04 1.09 -0.18 0.00 -0.80 0.00 0.00 55.06 55.20 2kan s HIS 7 Cb -0.24 -2.44 -0.04 0.00 -1.43 0.00 0.00 32.58 28.43 2kan s HIS 7 CO 0.04 0.13 1.16 -1.01 -2.00 0.00 0.00 174.74 173.07 2kan s HIS 8 N -1.97 2.52 -0.11 0.38 3.76 -1.26 -5.05 115.29 113.56 2kan s HIS 8 Ca 0.52 1.54 -0.04 0.00 -0.15 0.00 0.00 55.06 56.92 2kan s HIS 8 Cb -0.10 -3.36 0.06 0.00 1.11 0.00 0.00 32.58 30.28 2kan s HIS 8 CO 0.20 -1.90 0.22 0.45 -0.85 0.00 0.00 174.74 172.85 2kan s SER 9 N -1.81 0.51 -0.29 1.40 0.15 -1.26 -5.00 113.70 107.40 2kan s SER 9 Ca 0.74 0.48 0.07 0.00 0.70 0.00 0.00 55.95 57.94 2kan s SER 9 Cb -0.26 0.51 0.61 0.00 -1.71 0.00 0.00 66.02 65.16 2kan s SER 9 CO 0.32 -0.24 1.65 0.00 1.20 0.00 0.00 173.24 176.17 2kan n HIS 10 N 5.31 2.16 -4.09 3.44 1.44 -1.26 -4.90 115.22 117.31 2kan n HIS 10 Ca -0.06 -1.14 -0.31 0.00 -2.01 0.00 0.00 57.72 54.20 2kan n HIS 10 Cb 0.50 -0.65 -0.07 0.00 0.12 0.00 0.00 29.99 29.89 2kan n HIS 10 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2kan s ALA 11 N -2.59 3.46 -0.71 1.59 0.00 -1.26 -5.00 121.76 117.24 2kan s ALA 11 Ca 0.46 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 51.41 2kan s ALA 11 Cb 0.37 -1.36 0.12 0.00 0.00 0.00 0.00 23.12 22.24 2kan s ALA 11 CO 0.11 0.72 0.78 0.00 0.00 0.00 0.00 175.76 177.37 2kan n ALA 12 N 0.60 2.76 -2.48 0.00 0.00 -1.26 -4.85 120.51 115.28 2kan n ALA 12 Ca -0.10 -0.31 -0.42 0.00 0.00 0.00 0.00 53.44 52.61 2kan n ALA 12 Cb 0.52 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.91 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 -1.09 4.27 -0.17 0.00 0.11 -1.26 -5.00 120.40 117.25 2kan s VAL 13 Ca 0.08 1.61 -0.08 0.00 -2.93 0.00 0.00 61.98 60.66 2kan s VAL 13 Cb 0.06 -4.03 -0.04 0.00 -1.53 0.00 0.00 36.38 30.84 2kan s VAL 13 CO 0.02 0.05 0.09 -0.13 -3.33 0.00 0.00 175.10 171.80 2kan s ARG 14 N 1.72 3.87 0.31 1.54 1.81 -1.26 -5.08 118.95 121.86 2kan s ARG 14 Ca 0.56 -0.28 -0.27 0.00 -1.72 0.00 0.00 55.73 54.02 2kan s ARG 14 Cb -0.26 -3.24 -0.09 0.00 -0.45 0.00 0.00 34.95 30.91 2kan s ARG 14 CO 0.25 0.40 0.98 0.15 -0.68 0.00 0.00 175.30 176.40 2kan s LYS 15 N 0.03 4.59 0.45 3.54 3.01 -1.26 -4.20 119.74 125.90 2kan s LYS 15 Ca 0.07 1.46 0.07 0.00 -1.01 0.00 0.00 55.97 56.57 2kan s LYS 15 Cb -0.12 -2.93 -0.02 0.00 -1.01 0.00 0.00 37.83 33.76 2kan s LYS 15 CO 0.00 0.26 0.32 0.96 0.51 0.00 0.00 175.35 177.40 2kan s ILE 16 N -1.45 2.25 -0.38 2.17 -4.36 0.16 -4.89 121.20 114.70 2kan s ILE 16 Ca 0.48 -1.51 -0.03 0.00 -0.26 0.00 0.00 60.65 59.33 2kan s ILE 16 Cb -0.23 -2.76 0.09 0.00 1.25 0.00 0.00 42.46 40.81 2kan s ILE 16 CO 0.29 0.00 0.16 -1.00 0.24 0.00 0.00 174.94 174.63 2kan s HIS 17 N -2.60 3.47 0.22 1.37 3.76 -1.26 -1.61 115.29 118.64 2kan s HIS 17 Ca 0.42 -2.15 -0.16 0.00 -0.15 0.00 0.00 55.06 53.01 2kan s HIS 17 Cb -0.00 -2.89 -0.08 0.00 1.11 0.00 0.00 32.58 30.71 2kan s HIS 17 CO 0.24 -0.91 0.66 0.14 -0.85 0.00 0.00 174.74 174.02 2kan s VAL 18 N 1.21 4.70 -0.41 -0.90 -7.23 -0.18 -2.60 120.40 115.00 2kan s VAL 18 Ca 0.04 1.01 -0.14 0.00 -1.81 0.00 0.00 61.98 61.08 2kan s VAL 18 Cb -0.22 -3.75 0.02 0.00 0.56 0.00 0.00 36.38 33.00 2kan s VAL 18 CO -0.02 0.11 0.29 -0.89 -0.31 0.00 0.00 175.10 174.27 2kan s THR 19 N -1.63 5.15 -0.32 5.32 2.01 0.12 -1.39 115.64 124.89 2kan s THR 19 Ca 0.44 -0.71 -0.19 0.00 0.31 0.00 0.00 61.69 61.54 2kan s THR 19 Cb -0.14 -3.88 -0.01 0.00 0.01 0.00 0.00 72.50 68.48 2kan s THR 19 CO 0.20 -0.31 0.58 -0.69 -0.69 0.00 0.00 174.62 173.71 2kan s VAL 20 N 1.66 4.97 -0.44 3.82 1.01 0.83 0.62 120.40 132.87 2kan s VAL 20 Ca 0.04 0.68 -0.12 0.00 0.00 0.00 0.00 61.98 62.58 2kan s VAL 20 Cb -0.19 -3.97 0.07 0.00 0.00 0.00 0.00 36.38 32.28 2kan s VAL 20 CO 0.09 -0.15 0.32 -0.54 0.00 0.00 0.00 175.10 174.82 2kan s LYS 21 N 2.52 2.80 0.29 2.72 1.02 0.38 -1.77 119.74 127.70 2kan s LYS 21 Ca 0.23 -1.36 -0.02 0.00 0.02 0.00 0.00 55.97 54.84 2kan s LYS 21 Cb -0.15 -3.94 -0.04 0.00 -0.52 0.00 0.00 37.83 33.18 2kan s LYS 21 CO 0.12 -0.95 0.51 -0.06 -0.92 0.00 0.00 175.35 174.04 2kan s PHE 22 N 1.54 3.49 0.00 3.18 0.40 -0.54 -0.28 117.98 125.77 2kan s PHE 22 Ca 0.03 0.45 0.00 0.00 -0.60 0.00 0.00 56.93 56.81 2kan s PHE 22 Cb -0.23 -1.96 0.00 0.00 0.51 0.00 0.00 43.02 41.34 2kan s PHE 22 CO 0.05 0.21 0.83 -0.35 0.70 0.00 0.00 175.22 176.65 2kan n PRO 23 N -1.18 0.60 0.08 0.24 -0.04 -1.26 -3.40 135.00 130.04 2kan n PRO 23 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 2kan n PRO 23 Cb 0.55 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 2kan n PRO 23 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2kan n SER 24 N 1.09 -1.30 -4.19 3.54 3.41 -1.26 -5.15 113.62 109.76 2kan n SER 24 Ca 0.00 0.31 -0.11 0.00 -0.26 0.00 0.00 58.87 58.81 2kan n SER 24 Cb 0.30 1.48 -0.10 0.00 -0.26 0.00 0.00 64.21 65.63 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 1.00 -0.00 4.33 0.00 -1.22 -5.17 119.74 116.69 2kan s LYS 25 Ca 0.00 -1.48 0.06 0.00 0.00 0.00 0.00 55.97 54.55 2kan s LYS 25 Cb 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 37.83 37.86 2kan s LYS 25 CO 0.00 -0.22 -0.19 -1.14 0.00 0.00 0.00 175.35 173.81 2kan s GLN 26 N -4.00 1.47 0.11 1.78 0.74 -1.26 -1.47 119.66 117.02 2kan s GLN 26 Ca 0.24 -0.72 -0.16 0.00 0.05 0.00 0.00 55.36 54.78 2kan s GLN 26 Cb 0.07 -1.45 0.03 0.00 1.10 0.00 0.00 33.01 32.76 2kan s GLN 26 CO 0.03 0.39 0.38 -0.59 -0.55 0.00 0.00 175.29 174.95 2kan s PHE 27 N -0.51 -0.18 -0.03 1.67 -0.71 -0.73 -5.01 117.98 112.48 2kan s PHE 27 Ca 0.07 -0.10 -0.03 0.00 -1.04 0.00 0.00 56.93 55.83 2kan s PHE 27 Cb -0.07 0.22 -0.04 0.00 -1.21 0.00 0.00 43.02 41.91 2kan s PHE 27 CO -0.00 -0.66 0.14 0.99 -1.34 0.00 0.00 175.22 174.35 2kan s THR 28 N -3.55 5.23 0.01 -4.49 2.01 -1.26 -0.12 115.64 113.47 2kan s THR 28 Ca 0.02 -0.15 0.03 0.00 0.31 0.00 0.00 61.69 61.90 2kan s THR 28 Cb 0.02 -3.39 -0.01 0.00 0.01 0.00 0.00 72.50 69.12 2kan s THR 28 CO -0.10 0.40 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.43 2kan s VAL 29 N -1.22 0.85 -0.25 3.82 1.01 -0.49 -4.95 120.40 119.18 2kan s VAL 29 Ca 0.23 -0.64 -0.19 0.00 0.00 0.00 0.00 61.98 61.39 2kan s VAL 29 Cb -0.12 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 2kan s VAL 29 CO 0.14 0.11 0.55 -1.61 0.00 0.00 0.00 175.10 174.29 2kan s GLU 30 N -0.60 4.10 0.06 2.72 2.02 -1.26 -1.01 118.70 124.73 2kan s GLU 30 Ca 0.02 0.40 0.01 0.00 0.02 0.00 0.00 54.97 55.42 2kan s GLU 30 Cb -0.05 -3.64 -0.03 0.00 0.10 0.00 0.00 34.13 30.51 2kan s GLU 30 CO 0.00 -0.34 -0.06 0.14 0.02 0.00 0.00 175.26 175.02 2kan s VAL 31 N 2.27 0.46 0.53 2.63 -7.23 -0.64 -4.94 120.40 113.48 2kan s VAL 31 Ca 0.23 -1.42 -0.18 0.00 -1.81 0.00 0.00 61.98 58.80 2kan s VAL 31 Cb -0.16 -1.01 -0.06 0.00 0.56 0.00 0.00 36.38 35.71 2kan s VAL 31 CO 0.09 -0.65 1.04 -0.62 -0.31 0.00 0.00 175.10 174.65 2kan s ASP 32 N -2.21 6.12 0.45 4.85 -1.08 -1.26 0.39 116.67 123.93 2kan s ASP 32 Ca -0.02 1.85 0.27 0.00 -0.52 0.00 0.00 52.55 54.14 2kan s ASP 32 Cb -0.03 -2.54 0.79 0.00 -1.46 0.00 0.00 42.92 39.68 2kan s ASP 32 CO -0.03 -0.94 1.77 0.08 0.52 0.00 0.00 175.17 176.57 2kan h ARG 33 N 1.02 0.00 -0.65 4.34 0.11 -1.90 -2.46 114.38 114.84 2kan h ARG 33 Ca -0.48 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.60 2kan h ARG 33 Cb 1.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.30 2kan h ARG 33 CO 0.58 0.00 0.00 0.25 0.10 0.00 0.00 179.97 180.90 2kan n THR 34 N -2.96 1.47 -2.01 0.08 -2.24 -1.26 -1.66 114.28 105.69 2kan n THR 34 Ca 0.03 -1.01 -0.37 0.00 -2.27 0.00 0.00 64.05 60.42 2kan n THR 34 Cb 0.42 0.16 0.02 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 -1.67 3.24 0.39 -0.78 2.56 -0.93 -4.69 118.70 116.82 2kan s GLU 35 Ca 0.46 1.93 -0.21 0.00 0.00 0.00 0.00 54.97 57.16 2kan s GLU 35 Cb 0.28 -2.16 -0.10 0.00 2.00 0.00 0.00 34.13 34.15 2kan s GLU 35 CO 0.24 -1.02 0.90 0.95 -0.56 0.00 0.00 175.26 175.77 2kan s THR 36 N -1.49 4.42 0.46 -1.70 -4.23 -1.26 -0.25 115.64 111.59 2kan s THR 36 Ca 0.72 1.43 0.12 0.00 -1.18 0.00 0.00 61.69 62.78 2kan s THR 36 Cb -0.33 -3.66 0.28 0.00 1.34 0.00 0.00 72.50 70.13 2kan s THR 36 CO 0.38 -0.22 2.08 0.58 -0.54 0.00 0.00 174.62 176.89 2kan h VAL 37 N 2.03 1.02 -0.92 2.29 2.07 -0.75 0.26 116.25 122.25 2kan h VAL 37 Ca -0.48 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 2kan h VAL 37 Cb 1.18 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 2kan h VAL 37 CO 0.62 0.06 0.55 0.77 0.02 0.00 0.00 177.57 179.59 2kan h SER 38 N 0.30 1.12 1.73 0.57 4.64 -1.61 -1.80 113.55 118.50 2kan h SER 38 Ca 0.12 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2kan h SER 38 Cb 0.11 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 61.91 2kan h SER 38 CO -0.03 0.86 0.00 0.28 -0.87 0.00 0.00 176.83 177.08 2kan h SER 39 N 1.28 0.00 0.09 4.97 0.02 -1.28 0.01 113.55 118.64 2kan h SER 39 Ca 0.33 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.28 2kan h SER 39 Cb -0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.50 2kan h SER 39 CO -0.06 0.00 -0.04 0.25 -1.14 0.00 0.00 176.83 175.84 2kan h LEU 40 N 0.00 -0.10 -1.26 5.07 5.85 -0.73 -2.45 115.31 121.69 2kan h LEU 40 Ca 0.00 -0.48 0.01 0.00 0.84 0.00 0.00 57.88 58.26 2kan h LEU 40 Cb 0.86 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.88 2kan h LEU 40 CO 0.00 0.48 0.51 0.11 -0.34 0.00 0.00 178.44 179.20 2kan h LYS 41 N -0.76 0.99 0.02 1.25 1.57 -1.24 -2.07 116.57 116.34 2kan h LYS 41 Ca -0.01 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.74 2kan h LYS 41 Cb 0.57 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 2kan h LYS 41 CO 0.02 0.65 -0.25 0.22 -0.57 0.00 0.00 179.45 179.52 2kan h ASP 42 N 1.02 -0.74 -0.73 0.86 1.82 -1.01 -0.04 116.42 117.61 2kan h ASP 42 Ca 0.28 0.10 -0.04 0.00 -0.39 0.00 0.00 57.03 56.98 2kan h ASP 42 Cb -0.09 0.30 -0.03 0.00 0.68 0.00 0.00 39.33 40.18 2kan h ASP 42 CO -0.07 -0.32 0.31 0.11 -1.61 0.00 0.00 179.24 177.66 2kan h LYS 43 N -0.40 1.07 -0.37 0.28 1.57 -1.07 -1.86 116.57 115.79 2kan h LYS 43 Ca 0.06 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.58 2kan h LYS 43 Cb 0.47 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 2kan h LYS 43 CO -0.21 0.87 -0.06 0.82 -0.57 0.00 0.00 179.45 180.30 2kan h ILE 44 N 1.03 1.23 -0.03 1.86 2.04 -1.12 -2.05 117.51 120.48 2kan h ILE 44 Ca 0.24 -0.97 -0.12 0.00 1.00 0.00 0.00 64.86 65.01 2kan h ILE 44 Cb 0.18 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 2kan h ILE 44 CO -0.02 0.33 -0.55 -0.74 0.00 0.00 0.00 178.15 177.16 2kan h HIS 45 N 0.57 0.10 0.00 1.37 2.76 -0.54 0.27 115.15 119.68 2kan h HIS 45 Ca 0.11 -0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.17 2kan h HIS 45 Cb 0.45 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.38 2kan h HIS 45 CO 0.02 0.61 -0.38 0.82 -1.30 0.00 0.00 177.93 177.70 2kan h ILE 46 N 0.06 1.05 0.08 6.26 2.04 -0.82 -3.26 117.51 122.91 2kan h ILE 46 Ca -0.00 -1.40 -0.00 0.00 1.00 0.00 0.00 64.86 64.45 2kan h ILE 46 Cb 1.00 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.89 2kan h ILE 46 CO 0.08 0.37 -0.04 0.58 0.00 0.00 0.00 178.15 179.14 2kan h VAL 47 N 0.00 0.00 -3.17 1.67 2.07 -0.75 -3.47 116.25 112.60 2kan h VAL 47 Ca -0.00 -0.92 -0.63 0.00 0.82 0.00 0.00 66.70 65.96 2kan h VAL 47 Cb 0.78 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.42 2kan h VAL 47 CO 0.05 0.00 -0.68 -0.70 0.02 0.00 0.00 177.57 176.26 2kan s GLU 48 N -1.88 2.35 0.00 1.57 2.56 0.89 -5.00 118.70 119.19 2kan s GLU 48 Ca -0.02 -1.03 0.17 0.00 0.00 0.00 0.00 54.97 54.10 2kan s GLU 48 Cb 0.00 -2.38 0.79 0.00 2.00 0.00 0.00 34.13 34.55 2kan s GLU 48 CO 0.05 0.49 1.53 -1.71 -0.56 0.00 0.00 175.26 175.06 2kan n ASN 49 N 0.26 0.00 -4.68 -1.70 5.15 -1.26 -4.43 115.26 108.60 2kan n ASN 49 Ca -0.11 0.29 -0.42 0.00 -0.60 0.00 0.00 54.58 53.74 2kan n ASN 49 Cb 0.54 -0.40 -0.03 0.00 -0.53 0.00 0.00 39.78 39.36 2kan n ASN 49 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2kan s THR 50 N -2.81 3.74 0.44 -0.44 2.01 -1.26 -4.87 115.64 112.45 2kan s THR 50 Ca 0.12 1.05 -0.25 0.00 0.31 0.00 0.00 61.69 62.92 2kan s THR 50 Cb 0.11 -3.68 -0.09 0.00 0.01 0.00 0.00 72.50 68.86 2kan s THR 50 CO 0.29 -0.04 1.24 -2.65 -0.69 0.00 0.00 174.62 172.77 2kan n PRO 51 N 5.95 1.81 -0.33 4.92 -0.02 -1.26 -4.68 135.00 141.38 2kan n PRO 51 Ca 0.14 0.65 -0.03 0.00 -2.02 0.00 0.00 63.50 62.23 2kan n PRO 51 Cb 0.43 -2.36 0.09 0.00 -0.02 0.00 0.00 33.50 31.65 2kan n PRO 51 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2kan h ILE 52 N 1.91 1.25 0.00 4.25 2.04 -1.90 -2.00 117.51 123.05 2kan h ILE 52 Ca -0.48 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 64.86 2kan h ILE 52 Cb 1.30 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 2kan h ILE 52 CO 0.59 0.25 0.00 0.29 0.00 0.00 0.00 178.15 179.28 2kan n LYS 53 N -4.40 0.02 -0.13 2.37 5.02 -1.26 -3.19 118.16 116.59 2kan n LYS 53 Ca 0.10 0.17 -0.18 0.00 -2.02 0.00 0.00 58.31 56.38 2kan n LYS 53 Cb 0.05 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.44 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 -1.48 0.64 -2.95 1.97 1.74 -0.81 -4.90 116.66 110.87 2kan n ARG 54 Ca 0.05 0.15 -0.41 0.00 -0.77 0.00 0.00 57.85 56.87 2kan n ARG 54 Cb 0.21 -1.51 -0.04 0.00 -1.02 0.00 0.00 32.46 30.10 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 -2.51 4.31 -0.13 5.56 0.23 -0.88 -1.80 119.30 124.08 2kan s MET 55 Ca -0.35 0.94 -0.01 0.00 -1.03 0.00 0.00 55.69 55.24 2kan s MET 55 Cb 0.09 -3.55 -0.02 0.00 -1.53 0.00 0.00 34.83 29.82 2kan s MET 55 CO 0.59 -0.24 -0.09 -1.14 -2.03 0.00 0.00 175.02 172.11 2kan s GLN 56 N 1.86 3.43 0.04 3.16 0.74 -0.21 -4.85 119.66 123.83 2kan s GLN 56 Ca 0.37 -0.60 -0.21 0.00 0.05 0.00 0.00 55.36 54.97 2kan s GLN 56 Cb -0.17 -2.74 -0.06 0.00 1.10 0.00 0.00 33.01 31.14 2kan s GLN 56 CO 0.13 0.27 0.61 -0.51 -0.55 0.00 0.00 175.29 175.25 2kan s LEU 57 N 0.23 4.47 -0.11 3.68 1.43 -1.26 -0.53 118.68 126.59 2kan s LEU 57 Ca -0.06 1.25 0.00 0.00 -1.03 0.00 0.00 54.13 54.29 2kan s LEU 57 Cb -0.15 -2.96 0.02 0.00 0.03 0.00 0.00 46.19 43.14 2kan s LEU 57 CO 0.04 0.16 -0.09 -0.31 0.23 0.00 0.00 176.35 176.38 2kan s TYR 58 N -0.55 1.55 -0.43 0.29 1.51 0.65 -0.27 117.35 120.10 2kan s TYR 58 Ca 0.31 -0.75 -0.14 0.00 -1.01 0.00 0.00 57.07 55.49 2kan s TYR 58 Cb -0.19 -1.24 0.05 0.00 -0.11 0.00 0.00 41.96 40.47 2kan s TYR 58 CO 0.19 -0.48 0.32 -0.47 -1.11 0.00 0.00 175.55 174.00 2kan s TYR 59 N 1.45 3.25 0.00 2.71 5.04 0.40 -0.38 117.35 129.82 2kan s TYR 59 Ca 0.01 -0.90 0.00 0.00 -2.44 0.00 0.00 57.07 53.74 2kan s TYR 59 Cb -0.13 -2.86 0.00 0.00 0.35 0.00 0.00 41.96 39.32 2kan s TYR 59 CO -0.06 -0.72 0.00 0.45 -1.34 0.00 0.00 175.55 173.88 2kan n SER 60 N 5.13 0.00 0.00 4.32 2.88 -1.26 -0.14 113.62 124.54 2kan n SER 60 Ca -0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 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 -1.79 3.67 0.46 0.00 -1.26 -5.04 105.19 101.22 2kan n GLY 61 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 5.23 -0.40 -0.61 1.01 0.79 -5.04 121.20 122.19 2kan s ILE 62 Ca 0.00 0.61 -0.29 0.00 0.00 0.00 0.00 60.65 60.97 2kan s ILE 62 Cb 0.00 -3.69 0.02 0.00 0.01 0.00 0.00 42.46 38.80 2kan s ILE 62 CO 0.00 0.26 1.14 -0.70 0.00 0.00 0.00 174.94 175.65 2kan s GLU 63 N 1.29 3.87 -1.30 2.79 2.12 -1.26 -0.45 118.70 125.75 2kan s GLU 63 Ca 0.17 0.85 -0.15 0.00 0.36 0.00 0.00 54.97 56.19 2kan s GLU 63 Cb -0.15 -3.84 0.10 0.00 0.26 0.00 0.00 34.13 30.50 2kan s GLU 63 CO 0.07 -1.18 1.77 1.28 -0.54 0.00 0.00 175.26 176.66 2kan n LEU 64 N 7.49 5.54 -0.09 2.70 4.77 0.62 -4.66 117.00 133.37 2kan n LEU 64 Ca 0.12 -4.17 -0.15 0.00 -0.03 0.00 0.00 56.01 51.78 2kan n LEU 64 Cb 0.48 -1.67 -0.08 0.00 -2.33 0.00 0.00 43.42 39.82 2kan n LEU 64 CO 0.66 0.60 -0.42 0.00 -1.33 0.00 0.00 177.39 176.90 2kan h ALA 65 N 6.98 0.16 -2.00 -1.18 0.00 -1.92 -3.39 119.26 117.92 2kan h ALA 65 Ca 0.43 -0.91 -0.58 0.00 0.00 0.00 0.00 54.91 53.85 2kan h ALA 65 Cb 0.80 0.62 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2kan h ALA 65 CO 1.50 0.59 1.42 -0.25 0.00 0.00 0.00 179.25 182.51 2kan n ASP 66 N -4.51 3.38 0.08 0.00 8.00 -1.26 -4.85 116.55 117.39 2kan n ASP 66 Ca -0.22 0.40 -0.12 0.00 0.71 0.00 0.00 54.79 55.57 2kan n ASP 66 Cb 0.51 -1.52 -0.04 0.00 -0.02 0.00 0.00 41.12 40.05 2kan n ASP 66 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2kan h ASP 67 N 13.64 0.41 0.42 -2.24 3.32 -1.92 -3.21 116.42 126.84 2kan h ASP 67 Ca -0.42 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.29 2kan h ASP 67 Cb 1.25 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.67 2kan h ASP 67 CO 0.96 1.15 0.00 0.00 -1.72 0.00 0.00 179.24 179.63 2kan n TYR 68 N -3.69 0.00 -2.20 4.55 4.11 -1.26 -1.80 117.16 116.87 2kan n TYR 68 Ca -0.06 0.00 -0.28 0.00 -0.00 0.00 0.00 57.90 57.56 2kan n TYR 68 Cb 0.84 -0.26 0.03 0.00 -0.00 0.00 0.00 39.34 39.95 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 -2.52 3.10 0.11 -3.48 0.52 -1.21 -4.88 118.95 110.59 2kan s ARG 69 Ca 0.25 0.28 0.02 0.00 -0.52 0.00 0.00 55.73 55.75 2kan s ARG 69 Cb 0.17 -2.18 -0.04 0.00 0.52 0.00 0.00 34.95 33.42 2kan s ARG 69 CO 0.37 -0.71 0.25 -0.80 0.02 0.00 0.00 175.30 174.43 2kan s ASN 70 N -4.27 6.34 0.26 0.23 -0.87 -1.26 -0.75 114.94 114.62 2kan s ASN 70 Ca 0.54 0.21 -0.02 0.00 -1.57 0.00 0.00 52.86 52.02 2kan s ASN 70 Cb -0.11 -1.92 0.35 0.00 -0.02 0.00 0.00 41.25 39.55 2kan s ASN 70 CO 0.48 0.10 1.77 -0.07 -2.57 0.00 0.00 177.10 176.81 2kan h LEU 71 N 2.51 0.74 -2.19 0.60 3.38 -0.78 -2.45 115.31 117.12 2kan h LEU 71 Ca -0.47 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.33 2kan h LEU 71 Cb 1.18 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 2kan h LEU 71 CO 0.71 0.81 0.01 -0.55 0.09 0.00 0.00 178.44 179.51 2kan h ASN 72 N 0.72 0.00 0.29 -0.43 -1.07 -1.50 -1.39 115.58 112.20 2kan h ASN 72 Ca 0.14 0.00 -0.07 0.00 0.07 0.00 0.00 56.30 56.44 2kan h ASN 72 Cb 0.44 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.68 2kan h ASN 72 CO 0.02 0.00 -0.32 -0.33 0.07 0.00 0.00 177.43 176.87 2kan h GLU 73 N 0.00 0.04 -0.00 4.14 5.08 -1.75 -2.51 114.58 119.58 2kan h GLU 73 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2kan h GLU 73 Cb 0.02 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2kan h GLU 73 CO -0.00 0.36 -0.24 0.66 -1.00 0.00 0.00 179.01 178.78 2kan n TYR 74 N -4.15 0.00 -0.42 4.33 4.01 -0.57 -4.90 117.16 115.46 2kan n TYR 74 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 2kan n TYR 74 Cb 0.37 -0.23 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 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 1.39 1.16 3.56 2.72 0.00 -0.94 -5.04 105.19 108.04 2kan n GLY 75 Ca 0.10 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 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 4.21 -0.11 -0.61 1.01 -0.94 -4.84 121.20 117.91 2kan s ILE 76 Ca 0.00 0.70 -0.09 0.00 0.00 0.00 0.00 60.65 61.26 2kan s ILE 76 Cb 0.00 -4.62 -0.05 0.00 0.01 0.00 0.00 42.46 37.79 2kan s ILE 76 CO 0.00 -1.19 -0.20 1.07 0.00 0.00 0.00 174.94 174.63 2kan n THR 77 N 6.50 1.09 -3.62 2.92 5.66 -1.26 -4.30 114.28 121.26 2kan n THR 77 Ca 0.06 -0.01 -0.07 0.00 -3.05 0.00 0.00 64.05 60.99 2kan n THR 77 Cb 0.48 -1.85 -0.06 0.00 -1.55 0.00 0.00 70.33 67.36 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 -2.38 0.35 -1.64 1.09 2.56 -1.26 -4.88 118.70 112.54 2kan s GLU 78 Ca -0.19 0.24 0.00 0.00 0.00 0.00 0.00 54.97 55.02 2kan s GLU 78 Cb 0.06 0.17 0.00 0.00 2.00 0.00 0.00 34.13 36.35 2kan s GLU 78 CO 0.26 -0.08 0.00 1.19 -0.56 0.00 0.00 175.26 176.07 2kan n PHE 79 N 1.33 -0.83 -2.37 5.30 3.72 -1.07 -4.91 117.46 118.62 2kan n PHE 79 Ca -0.09 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.89 2kan n PHE 79 Cb 0.57 -3.39 -0.03 0.00 -0.94 0.00 0.00 39.48 35.69 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 -2.19 6.98 -0.09 4.37 1.04 -1.25 -4.68 113.70 117.87 2kan s SER 80 Ca 0.00 1.93 -0.24 0.00 0.48 0.00 0.00 55.95 58.12 2kan s SER 80 Cb 0.00 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.53 2kan s SER 80 CO 0.00 -0.63 0.74 -1.61 0.98 0.00 0.00 173.24 172.71 2kan s GLU 81 N 2.27 4.40 -0.24 4.02 2.02 -1.26 -0.70 118.70 129.21 2kan s GLU 81 Ca 0.59 0.92 -0.03 0.00 0.02 0.00 0.00 54.97 56.47 2kan s GLU 81 Cb -0.27 -3.48 0.01 0.00 0.10 0.00 0.00 34.13 30.48 2kan s GLU 81 CO 0.24 -0.04 -0.04 0.42 0.02 0.00 0.00 175.26 175.86 2kan s ILE 82 N 1.15 3.22 -0.28 -1.63 -1.09 0.20 -4.21 121.20 118.57 2kan s ILE 82 Ca 0.38 -0.72 -0.19 0.00 -2.23 0.00 0.00 60.65 57.90 2kan s ILE 82 Cb -0.18 -2.55 -0.02 0.00 -1.58 0.00 0.00 42.46 38.14 2kan s ILE 82 CO 0.17 0.31 0.55 -0.69 -1.23 0.00 0.00 174.94 174.05 2kan s VAL 83 N 1.42 5.03 -0.52 2.92 1.01 0.49 -0.47 120.40 130.29 2kan s VAL 83 Ca 0.03 0.86 -0.18 0.00 0.00 0.00 0.00 61.98 62.69 2kan s VAL 83 Cb -0.15 -3.88 0.08 0.00 0.00 0.00 0.00 36.38 32.42 2kan s VAL 83 CO -0.03 0.01 0.58 -0.69 0.00 0.00 0.00 175.10 174.97 2kan s VAL 84 N 2.39 4.97 -0.40 2.92 1.01 0.62 -0.25 120.40 131.66 2kan s VAL 84 Ca 0.22 -0.82 -0.21 0.00 0.00 0.00 0.00 61.98 61.18 2kan s VAL 84 Cb -0.15 -4.31 0.01 0.00 0.00 0.00 0.00 36.38 31.93 2kan s VAL 84 CO 0.10 -0.84 0.64 -0.36 0.00 0.00 0.00 175.10 174.64 2kan s PHE 85 N 2.34 3.11 -0.65 5.22 0.08 0.31 -4.30 117.98 124.08 2kan s PHE 85 Ca 0.11 0.15 -0.27 0.00 0.12 0.00 0.00 56.93 57.03 2kan s PHE 85 Cb -0.22 -3.24 0.03 0.00 -0.57 0.00 0.00 43.02 39.01 2kan s PHE 85 CO 0.09 -0.75 1.22 -0.51 -0.10 0.00 0.00 175.22 175.17 2kan s LEU 86 N 2.77 3.36 0.31 -0.37 1.43 -1.26 -1.04 118.68 123.87 2kan s LEU 86 Ca 0.23 -0.16 0.15 0.00 -1.03 0.00 0.00 54.13 53.32 2kan s LEU 86 Cb -0.14 -2.89 0.40 0.00 0.03 0.00 0.00 46.19 43.60 2kan s LEU 86 CO 0.17 -1.63 1.61 0.11 0.23 0.00 0.00 176.35 176.84 2kan h LYS 87 N 9.74 0.00 -3.39 1.70 1.79 -1.73 -3.42 116.57 121.27 2kan h LYS 87 Ca -0.26 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 57.92 2kan h LYS 87 Cb 1.05 0.00 -0.34 0.00 -1.58 0.00 0.00 32.23 31.36 2kan h LYS 87 CO 1.22 0.52 -0.68 0.45 -1.08 0.00 0.00 179.45 179.88 2kan s SER 88 N -6.55 0.18 1.00 0.86 0.15 -1.20 -5.09 113.70 103.04 2kan s SER 88 Ca 0.01 0.14 -0.13 0.00 0.70 0.00 0.00 55.95 56.67 2kan s SER 88 Cb 0.11 0.03 0.19 0.00 -1.71 0.00 0.00 66.02 64.63 2kan s SER 88 CO 0.73 -0.16 1.12 0.27 1.20 0.00 0.00 173.24 176.40 2kan s ILE 89 N 1.31 1.95 0.23 6.45 -4.36 -1.26 -4.47 121.20 121.05 2kan s ILE 89 Ca -0.07 0.00 -0.07 0.00 -0.26 0.00 0.00 60.65 60.25 2kan s ILE 89 Cb -0.12 -2.59 -0.06 0.00 1.25 0.00 0.00 42.46 40.93 2kan s ILE 89 CO -0.04 0.00 0.51 0.54 0.24 0.00 0.00 174.94 176.19 2kan s ASN 90 N -3.75 6.55 -0.34 4.36 2.20 -1.26 -4.94 114.94 117.76 2kan s ASN 90 Ca 0.66 0.80 -0.16 0.00 -0.94 0.00 0.00 52.86 53.22 2kan s ASN 90 Cb -0.16 -2.18 -0.01 0.00 -2.00 0.00 0.00 41.25 36.90 2kan s ASN 90 CO 0.56 -0.08 0.39 -0.60 -2.94 0.00 0.00 177.10 174.43 2kan s ARG 91 N -2.96 3.58 -0.47 3.55 3.00 -1.26 -4.94 118.95 119.46 2kan s ARG 91 Ca 0.45 -0.37 0.06 0.00 -1.00 0.00 0.00 55.73 54.88 2kan s ARG 91 Cb -0.11 -3.80 0.19 0.00 0.00 0.00 0.00 34.95 31.22 2kan s ARG 91 CO 0.24 -0.54 0.72 0.00 0.00 0.00 0.00 175.30 175.72 2kan s ALA 92 N 2.08 -2.38 -1.43 6.12 0.00 -1.26 -4.95 121.76 119.95 2kan s ALA 92 Ca 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 51.96 51.99 2kan s ALA 92 Cb -0.16 -2.75 0.00 0.00 0.00 0.00 0.00 23.12 20.21 2kan s ALA 92 CO 0.12 -2.25 0.06 1.63 0.00 0.00 0.00 175.76 175.32 2kan n LYS 93 N 3.49 -2.23 0.00 0.00 5.02 -1.26 -5.27 118.16 117.90 2kan n LYS 93 Ca 0.15 0.80 0.15 0.00 -2.02 0.00 0.00 58.31 57.39 2kan n LYS 93 Cb 0.57 -5.45 0.75 0.00 -0.02 0.00 0.00 35.03 30.88 2kan n LYS 93 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48