#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2f n SER 2 N 0.00 0.77 0.05 1.61 2.88 -1.26 -4.39 113.62 113.28 2k2f n SER 2 Ca 0.00 -0.79 -0.13 0.00 -1.33 0.00 0.00 58.87 56.62 2k2f n SER 2 Cb 0.00 1.05 -0.08 0.00 -0.75 0.00 0.00 64.21 64.43 2k2f n SER 2 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2k2f h GLU 3 N 0.00 -0.09 -1.00 -1.46 3.07 -2.06 -2.23 114.58 110.81 2k2f h GLU 3 Ca 0.00 0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.87 2k2f h GLU 3 Cb 0.38 0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 28.26 2k2f h GLU 3 CO 0.00 0.14 0.66 1.25 -1.40 0.00 0.00 179.01 179.66 2k2f h LEU 4 N -0.32 1.16 -0.41 1.33 5.85 -2.00 -1.05 115.31 119.86 2k2f h LEU 4 Ca -0.01 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.74 2k2f h LEU 4 Cb 0.28 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 2k2f h LEU 4 CO 0.02 0.84 0.09 -0.08 -0.34 0.00 0.00 178.44 178.97 2k2f h GLU 5 N 1.36 0.22 -0.01 1.25 4.81 -1.72 -0.30 114.58 120.19 2k2f h GLU 5 Ca 0.37 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.52 2k2f h GLU 5 Cb -0.15 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 2k2f h GLU 5 CO -0.08 0.15 -0.29 1.79 -0.73 0.00 0.00 179.01 179.84 2k2f h THR 6 N 0.23 1.22 -0.33 0.32 1.35 -0.76 -3.02 112.91 111.91 2k2f h THR 6 Ca 0.20 -1.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 2k2f h THR 6 Cb 0.24 1.54 -0.02 0.00 -1.73 0.00 0.00 68.15 68.18 2k2f h THR 6 CO -0.25 0.29 0.22 0.00 -0.25 0.00 0.00 175.52 175.53 2k2f h ALA 7 N 1.69 0.42 -0.63 6.62 0.00 0.22 -0.71 119.26 126.87 2k2f h ALA 7 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2k2f h ALA 7 Cb 0.53 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2k2f h ALA 7 CO 0.04 -0.12 0.41 1.98 0.00 0.00 0.00 179.25 181.56 2k2f h MET 8 N 0.45 0.84 -0.76 0.00 -1.53 -1.37 -2.34 114.93 110.21 2k2f h MET 8 Ca 0.12 -0.06 -0.05 0.00 -3.44 0.00 0.00 59.70 56.27 2k2f h MET 8 Cb -0.05 -0.18 -0.03 0.00 -0.55 0.00 0.00 31.60 30.78 2k2f h MET 8 CO -0.03 0.57 0.27 1.49 0.14 0.00 0.00 176.91 179.35 2k2f h GLU 9 N 0.85 1.17 -0.53 0.39 4.57 -1.48 -2.92 114.58 116.63 2k2f h GLU 9 Ca 0.23 -0.23 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2k2f h GLU 9 Cb -0.08 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.31 2k2f h GLU 9 CO -0.05 0.97 0.29 1.79 -1.18 0.00 0.00 179.01 180.84 2k2f h THR 10 N 1.12 1.17 -0.62 0.32 1.35 -0.73 -2.14 112.91 113.38 2k2f h THR 10 Ca 0.25 -0.43 0.05 0.00 -0.55 0.00 0.00 66.41 65.72 2k2f h THR 10 Cb 0.26 0.51 -0.04 0.00 -1.73 0.00 0.00 68.15 67.15 2k2f h THR 10 CO -0.01 0.18 0.41 -0.07 -0.25 0.00 0.00 175.52 175.78 2k2f h LEU 11 N 0.70 0.59 -0.00 3.87 3.38 -1.24 -2.50 115.31 120.11 2k2f h LEU 11 Ca 0.19 -0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.96 2k2f h LEU 11 Cb 0.04 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2k2f h LEU 11 CO -0.03 0.40 -0.93 0.40 0.09 0.00 0.00 178.44 178.36 2k2f h ILE 12 N 0.68 1.61 -0.70 1.22 1.08 -1.35 -2.41 117.51 117.64 2k2f h ILE 12 Ca 0.26 -3.27 -0.06 0.00 -0.39 0.00 0.00 64.86 61.40 2k2f h ILE 12 Cb 0.16 2.79 -0.03 0.00 -3.07 0.00 0.00 36.82 36.68 2k2f h ILE 12 CO -0.07 0.92 0.20 -1.13 -0.69 0.00 0.00 178.15 177.37 2k2f h ASN 13 N 0.00 1.04 0.37 1.72 -1.24 -0.94 -2.56 115.58 113.98 2k2f h ASN 13 Ca -0.01 -0.22 -0.32 0.00 0.71 0.00 0.00 56.30 56.46 2k2f h ASN 13 Cb 1.72 -0.27 0.02 0.00 0.73 0.00 0.00 38.32 40.52 2k2f h ASN 13 CO 0.12 0.99 -1.46 -0.37 -1.29 0.00 0.00 177.43 175.42 2k2f h VAL 14 N 1.04 1.28 0.01 2.57 -1.51 -1.62 -3.03 116.25 115.00 2k2f h VAL 14 Ca 0.22 -2.79 0.00 0.00 -1.23 0.00 0.00 66.70 62.91 2k2f h VAL 14 Cb 0.34 2.95 -0.00 0.00 -2.13 0.00 0.00 31.29 32.45 2k2f h VAL 14 CO -0.00 0.84 -0.01 0.15 -1.23 0.00 0.00 177.57 177.32 2k2f h PHE 15 N 0.11 -0.03 0.00 5.19 3.57 -1.36 -2.12 116.94 122.30 2k2f h PHE 15 Ca -0.23 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.23 2k2f h PHE 15 Cb 2.10 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 40.84 2k2f h PHE 15 CO 0.10 -0.02 -0.16 0.45 -2.23 0.00 0.00 178.31 176.46 2k2f h HIS 16 N -0.02 0.00 0.02 0.41 3.86 -1.60 -2.72 115.15 115.09 2k2f h HIS 16 Ca 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2k2f h HIS 16 Cb 0.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.49 2k2f h HIS 16 CO -0.08 0.16 -0.01 0.00 0.86 0.00 0.00 177.93 178.85 2k2f h ALA 17 N 1.84 -0.04 -0.66 2.45 0.00 -1.32 -3.13 119.26 118.40 2k2f h ALA 17 Ca -0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2k2f h ALA 17 Cb 0.73 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 2k2f h ALA 17 CO 0.02 -0.04 0.09 0.45 0.00 0.00 0.00 179.25 179.77 2k2f h HIS 18 N -0.53 1.19 0.00 0.00 3.86 -1.53 -2.62 115.15 115.51 2k2f h HIS 18 Ca -0.00 -0.17 0.00 0.00 -1.16 0.00 0.00 60.37 59.03 2k2f h HIS 18 Cb 0.02 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.17 2k2f h HIS 18 CO 0.00 1.00 0.00 0.43 0.86 0.00 0.00 177.93 180.23 2k2f n SER 19 N -4.21 0.61 -1.40 2.45 7.64 -1.03 -2.26 113.62 115.42 2k2f n SER 19 Ca 0.04 0.67 0.09 0.00 1.01 0.00 0.00 58.87 60.68 2k2f n SER 19 Cb 0.31 -0.79 0.33 0.00 -1.01 0.00 0.00 64.21 63.04 2k2f n SER 19 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k2f n GLY 20 N -0.21 2.84 0.02 0.23 0.00 -0.99 -3.15 105.19 103.93 2k2f n GLY 20 Ca 0.02 -0.81 -0.01 0.00 0.00 0.00 0.00 46.02 45.22 2k2f n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k2f h LYS 21 N 3.71 0.00 0.00 1.61 1.79 -1.47 -3.42 116.57 118.79 2k2f h LYS 21 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2k2f h LYS 21 Cb 1.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.97 2k2f h LYS 21 CO 0.18 0.00 0.00 -0.85 -1.08 0.00 0.00 179.45 177.70 2k2f n GLU 22 N -3.09 1.72 -1.72 3.15 0.28 -1.26 -5.04 120.64 114.67 2k2f n GLU 22 Ca -0.01 -1.17 -0.30 0.00 -0.16 0.00 0.00 57.16 55.51 2k2f n GLU 22 Cb 0.04 -0.99 0.20 0.00 1.43 0.00 0.00 31.44 32.12 2k2f n GLU 22 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 2k2f s GLY 23 N -0.68 1.74 0.73 -1.84 0.00 -1.19 -5.07 107.32 101.02 2k2f s GLY 23 Ca 0.00 -1.17 -0.02 0.00 0.00 0.00 0.00 44.72 43.54 2k2f s GLY 23 CO 0.00 -0.36 1.01 -0.35 0.00 0.00 0.00 173.10 173.40 2k2f s ASP 24 N -4.67 4.31 -0.68 1.64 -1.08 -1.24 -4.88 116.67 110.08 2k2f s ASP 24 Ca 0.74 -0.32 -0.26 0.00 -0.52 0.00 0.00 52.55 52.19 2k2f s ASP 24 Cb -0.05 -0.06 -0.07 0.00 -1.46 0.00 0.00 42.92 41.29 2k2f s ASP 24 CO 0.54 -1.89 2.16 -0.54 0.52 0.00 0.00 175.17 175.95 2k2f s LYS 25 N -5.17 2.23 -0.43 4.34 1.02 -1.26 -3.10 119.74 117.36 2k2f s LYS 25 Ca 0.66 0.61 0.00 0.00 0.02 0.00 0.00 55.97 57.26 2k2f s LYS 25 Cb -0.05 -4.68 0.00 0.00 -0.52 0.00 0.00 37.83 32.58 2k2f s LYS 25 CO 0.45 -3.42 0.00 0.66 -0.92 0.00 0.00 175.35 172.12 2k2f n TYR 26 N 15.25 -0.24 -4.34 3.18 4.01 -1.26 -5.06 117.16 128.70 2k2f n TYR 26 Ca 0.35 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.91 2k2f n TYR 26 Cb 0.50 -1.72 -0.15 0.00 -0.31 0.00 0.00 39.34 37.66 2k2f n TYR 26 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 2k2f s LYS 27 N -4.24 0.74 0.29 -0.72 2.47 -1.18 -4.97 119.74 112.13 2k2f s LYS 27 Ca 0.00 -0.29 -0.01 0.00 -1.56 0.00 0.00 55.97 54.11 2k2f s LYS 27 Cb 0.00 -0.71 -0.04 0.00 -1.46 0.00 0.00 37.83 35.62 2k2f s LYS 27 CO 0.00 0.16 0.49 -1.17 0.16 0.00 0.00 175.35 174.99 2k2f s LEU 28 N -0.07 4.10 0.17 5.43 2.96 -0.85 -3.58 118.68 126.84 2k2f s LEU 28 Ca 0.01 0.46 0.01 0.00 -0.22 0.00 0.00 54.13 54.39 2k2f s LEU 28 Cb -0.05 -3.29 -0.04 0.00 0.50 0.00 0.00 46.19 43.31 2k2f s LEU 28 CO -0.00 -0.19 0.04 -0.55 -1.32 0.00 0.00 176.35 174.33 2k2f s SER 29 N -3.62 0.89 0.23 3.68 0.15 -1.26 -0.96 113.70 112.81 2k2f s SER 29 Ca 0.40 -1.23 -0.09 0.00 0.70 0.00 0.00 55.95 55.74 2k2f s SER 29 Cb -0.10 0.19 0.37 0.00 -1.71 0.00 0.00 66.02 64.77 2k2f s SER 29 CO 0.32 -0.65 1.65 0.50 1.20 0.00 0.00 173.24 176.26 2k2f h LYS 30 N 2.69 0.11 0.00 5.44 3.64 -1.96 0.46 116.57 126.95 2k2f h LYS 30 Ca -0.36 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 58.94 2k2f h LYS 30 Cb 1.21 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 2k2f h LYS 30 CO 0.61 0.07 -0.33 1.57 -2.27 0.00 0.00 179.45 179.10 2k2f h LYS 31 N 0.11 0.00 -0.07 1.90 2.10 -1.96 -2.64 116.57 116.01 2k2f h LYS 31 Ca 0.37 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.79 2k2f h LYS 31 Cb 0.63 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.97 2k2f h LYS 31 CO -0.61 0.33 -0.89 0.93 -2.00 0.00 0.00 179.45 177.21 2k2f h GLU 32 N 0.00 0.69 0.01 0.07 5.08 -1.33 -3.18 114.58 115.92 2k2f h GLU 32 Ca -0.00 -0.64 -0.24 0.00 -1.00 0.00 0.00 59.36 57.48 2k2f h GLU 32 Cb 0.79 0.16 0.01 0.00 0.50 0.00 0.00 28.75 30.21 2k2f h GLU 32 CO 0.04 1.24 -0.98 1.37 -1.00 0.00 0.00 179.01 179.68 2k2f h LEU 33 N 0.43 0.61 -0.87 1.33 8.10 -1.28 -2.22 115.31 121.41 2k2f h LEU 33 Ca -0.08 -0.50 0.01 0.00 0.11 0.00 0.00 57.88 57.42 2k2f h LEU 33 Cb 1.52 -0.19 -0.04 0.00 -0.44 0.00 0.00 40.66 41.51 2k2f h LEU 33 CO 0.17 1.30 0.57 0.50 -4.11 0.00 0.00 178.44 176.87 2k2f h LYS 34 N 0.26 1.15 0.04 0.17 3.64 -1.55 -2.60 116.57 117.68 2k2f h LYS 34 Ca -0.09 -0.08 -0.23 0.00 -1.27 0.00 0.00 60.65 58.98 2k2f h LYS 34 Cb 1.62 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 33.17 2k2f h LYS 34 CO 0.17 0.77 -1.06 0.22 -2.27 0.00 0.00 179.45 177.29 2k2f h ASP 35 N 1.18 0.17 -0.61 4.20 1.82 -1.60 -3.17 116.42 118.41 2k2f h ASP 35 Ca 0.32 -0.17 -0.10 0.00 -0.39 0.00 0.00 57.03 56.69 2k2f h ASP 35 Cb -0.12 -0.05 -0.02 0.00 0.68 0.00 0.00 39.33 39.81 2k2f h ASP 35 CO -0.07 1.11 -0.00 0.25 -1.61 0.00 0.00 179.24 178.92 2k2f h LEU 36 N 0.04 1.06 0.18 2.28 5.85 -1.11 -3.02 115.31 120.59 2k2f h LEU 36 Ca -0.05 -0.31 -0.35 0.00 0.84 0.00 0.00 57.88 58.01 2k2f h LEU 36 Cb 1.79 -0.29 0.01 0.00 0.37 0.00 0.00 40.66 42.54 2k2f h LEU 36 CO 0.15 1.11 -1.78 0.17 -0.34 0.00 0.00 178.44 177.76 2k2f h LEU 37 N 0.99 0.59 -0.64 2.25 8.10 -1.60 -3.24 115.31 121.77 2k2f h LEU 37 Ca 0.17 -0.94 -0.07 0.00 0.11 0.00 0.00 57.88 57.16 2k2f h LEU 37 Cb 0.57 -0.19 -0.03 0.00 -0.44 0.00 0.00 40.66 40.57 2k2f h LEU 37 CO 0.03 1.80 0.14 0.06 -4.11 0.00 0.00 178.44 176.36 2k2f h GLN 38 N 0.09 1.03 -0.32 0.17 3.07 -1.65 0.83 115.11 118.34 2k2f h GLN 38 Ca -0.36 -0.26 -0.17 0.00 0.09 0.00 0.00 58.65 57.95 2k2f h GLN 38 Cb 2.08 -0.13 -0.00 0.00 0.08 0.00 0.00 27.48 29.51 2k2f h GLN 38 CO 0.16 0.94 -0.47 1.15 0.09 0.00 0.00 178.83 180.70 2k2f h THR 39 N 0.95 1.28 0.00 1.86 2.02 -1.70 -3.18 112.91 114.13 2k2f h THR 39 Ca 0.20 -1.65 0.00 0.00 0.77 0.00 0.00 66.41 65.72 2k2f h THR 39 Cb 0.39 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 2k2f h THR 39 CO 0.01 0.54 -1.16 -0.62 0.37 0.00 0.00 175.52 174.66 2k2f n GLU 40 N -4.06 0.34 -3.40 6.66 4.71 -1.18 -4.60 120.64 119.12 2k2f n GLU 40 Ca -0.04 -0.02 -0.26 0.00 -0.01 0.00 0.00 57.16 56.83 2k2f n GLU 40 Cb 0.59 -1.59 -0.09 0.00 -1.01 0.00 0.00 31.44 29.33 2k2f n GLU 40 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2k2f n LEU 41 N -2.02 0.73 -4.79 -4.62 4.77 0.29 -5.06 117.00 106.28 2k2f n LEU 41 Ca 0.01 -4.72 -0.38 0.00 -0.03 0.00 0.00 56.01 50.89 2k2f n LEU 41 Cb 0.46 0.25 -0.06 0.00 -2.33 0.00 0.00 43.42 41.74 2k2f n LEU 41 CO 0.41 1.94 0.44 -0.94 -1.33 0.00 0.00 177.39 177.91 2k2f s SER 42 N -0.87 7.24 0.00 -1.43 1.04 -1.20 -2.99 113.70 115.48 2k2f s SER 42 Ca 0.33 1.52 0.00 0.00 0.48 0.00 0.00 55.95 58.29 2k2f s SER 42 Cb 0.08 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.75 2k2f s SER 42 CO -0.14 0.16 0.00 -1.20 0.98 0.00 0.00 173.24 173.03 2k2f n SER 43 N 1.30 0.00 -0.01 7.02 7.64 -1.26 -4.74 113.62 123.57 2k2f n SER 43 Ca -0.05 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.82 2k2f n SER 43 Cb 0.50 -0.76 -0.00 0.00 -1.01 0.00 0.00 64.21 62.93 2k2f n SER 43 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2k2f n PHE 44 N -2.00 0.00 -3.76 1.43 3.72 -1.24 -5.00 117.46 110.61 2k2f n PHE 44 Ca 0.00 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.03 2k2f n PHE 44 Cb 0.00 -0.08 -0.06 0.00 -0.94 0.00 0.00 39.48 38.40 2k2f n PHE 44 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2k2f s LEU 45 N -5.72 4.41 0.14 4.37 2.01 -1.16 -4.97 118.68 117.76 2k2f s LEU 45 Ca -0.05 0.62 0.08 0.00 0.01 0.00 0.00 54.13 54.80 2k2f s LEU 45 Cb 0.01 -2.25 -0.04 0.00 0.01 0.00 0.00 46.19 43.92 2k2f s LEU 45 CO 0.07 0.38 -0.19 -1.81 1.01 0.00 0.00 176.35 175.80 2k2f s ASP 46 N -1.07 2.66 0.00 2.29 1.01 -1.26 -4.72 116.67 115.57 2k2f s ASP 46 Ca 0.18 -0.80 0.00 0.00 0.71 0.00 0.00 52.55 52.64 2k2f s ASP 46 Cb -0.13 -0.15 0.00 0.00 1.01 0.00 0.00 42.92 43.64 2k2f s ASP 46 CO 0.07 0.00 0.00 1.33 0.21 0.00 0.00 175.17 176.79 2k2f n VAL 47 N 0.58 0.00 0.13 -1.27 0.24 -1.26 -4.86 118.33 111.88 2k2f n VAL 47 Ca -0.15 0.00 0.10 0.00 -2.04 0.00 0.00 64.34 62.24 2k2f n VAL 47 Cb 0.56 0.00 0.04 0.00 -1.47 0.00 0.00 33.84 32.96 2k2f n VAL 47 CO 0.00 0.00 0.00 0.06 -2.14 0.00 0.00 176.83 174.75 2k2f h GLN 48 N 0.00 0.00 -0.41 7.34 3.07 -1.94 -3.31 115.11 119.86 2k2f h GLN 48 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 58.65 58.60 2k2f h GLN 48 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.55 2k2f h GLN 48 CO 0.00 0.06 -0.28 0.87 0.09 0.00 0.00 178.83 179.58 2k2f h LYS 49 N 0.00 0.89 -4.28 0.06 1.57 -1.98 -3.41 116.57 109.42 2k2f h LYS 49 Ca -0.02 -0.40 -0.54 0.00 -1.87 0.00 0.00 60.65 57.81 2k2f h LYS 49 Cb 1.09 -0.02 -0.37 0.00 0.08 0.00 0.00 32.23 33.01 2k2f h LYS 49 CO 0.01 1.05 -0.80 -0.51 -0.57 0.00 0.00 179.45 178.63 2k2f s ASP 50 N -6.77 2.42 0.40 0.86 1.01 -1.25 -4.99 116.67 108.35 2k2f s ASP 50 Ca -0.10 -0.42 0.19 0.00 0.71 0.00 0.00 52.55 52.93 2k2f s ASP 50 Cb 0.12 -0.91 0.84 0.00 1.01 0.00 0.00 42.92 43.98 2k2f s ASP 50 CO 0.86 -0.13 1.82 0.00 0.21 0.00 0.00 175.17 177.93 2k2f h ALA 51 N 8.14 1.13 0.00 5.23 0.00 -1.81 -2.23 119.26 129.72 2k2f h ALA 51 Ca -0.30 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.26 2k2f h ALA 51 Cb 1.13 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2k2f h ALA 51 CO 0.42 0.41 -0.26 -0.44 0.00 0.00 0.00 179.25 179.38 2k2f h ASP 52 N 0.00 0.00 -0.21 0.00 3.32 -1.94 -2.74 116.42 114.85 2k2f h ASP 52 Ca -0.00 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.84 2k2f h ASP 52 Cb 0.74 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.30 2k2f h ASP 52 CO 0.04 0.26 -0.69 0.00 -1.72 0.00 0.00 179.24 177.13 2k2f h ALA 53 N 1.74 0.36 0.29 3.45 0.00 -1.72 -2.81 119.26 120.57 2k2f h ALA 53 Ca -0.00 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 2k2f h ALA 53 Cb 0.62 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2k2f h ALA 53 CO 0.03 0.67 -0.14 0.28 0.00 0.00 0.00 179.25 180.10 2k2f h VAL 54 N 0.59 0.64 -0.77 0.00 2.07 -1.48 -2.24 116.25 115.05 2k2f h VAL 54 Ca -0.03 -0.78 -0.06 0.00 0.82 0.00 0.00 66.70 66.66 2k2f h VAL 54 Cb 1.31 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 32.04 2k2f h VAL 54 CO 0.15 0.13 0.26 -2.24 0.02 0.00 0.00 177.57 175.90 2k2f h ASP 55 N -0.87 1.10 -0.27 0.57 2.03 -1.63 -0.41 116.42 116.94 2k2f h ASP 55 Ca -0.04 -0.20 -0.16 0.00 -0.73 0.00 0.00 57.03 55.91 2k2f h ASP 55 Cb 0.52 -0.29 -0.01 0.00 -0.83 0.00 0.00 39.33 38.72 2k2f h ASP 55 CO 0.06 1.00 -0.42 0.11 -1.03 0.00 0.00 179.24 178.96 2k2f h LYS 56 N 1.13 0.83 0.00 4.15 1.57 -1.58 -2.32 116.57 120.35 2k2f h LYS 56 Ca 0.25 -0.45 -0.02 0.00 -1.87 0.00 0.00 60.65 58.56 2k2f h LYS 56 Cb 0.28 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 2k2f h LYS 56 CO -0.01 1.09 -0.17 0.82 -0.57 0.00 0.00 179.45 180.60 2k2f h ILE 57 N 0.67 0.71 -0.59 1.86 2.04 -1.31 -3.08 117.51 117.81 2k2f h ILE 57 Ca 0.05 -1.58 0.00 0.00 1.00 0.00 0.00 64.86 64.33 2k2f h ILE 57 Cb 1.00 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 38.44 2k2f h ILE 57 CO 0.10 0.24 0.38 -0.03 0.00 0.00 0.00 178.15 178.83 2k2f h MET 58 N -1.00 0.79 -0.30 2.37 4.05 -1.21 2.23 114.93 121.86 2k2f h MET 58 Ca -0.03 -0.06 -0.12 0.00 -0.28 0.00 0.00 59.70 59.21 2k2f h MET 58 Cb 0.52 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.14 2k2f h MET 58 CO -0.02 0.54 -0.31 0.87 0.23 0.00 0.00 176.91 178.23 2k2f h LYS 59 N 0.80 0.64 0.00 0.39 1.57 -1.55 -1.30 116.57 117.12 2k2f h LYS 59 Ca 0.22 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2k2f h LYS 59 Cb -0.06 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.23 2k2f h LYS 59 CO -0.04 0.87 -0.57 0.93 -0.57 0.00 0.00 179.45 180.06 2k2f h GLU 60 N 0.55 0.00 0.00 3.15 4.39 -1.37 -3.22 114.58 118.07 2k2f h GLU 60 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 2k2f h GLU 60 Cb 0.80 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 2k2f h GLU 60 CO 0.07 0.00 -0.46 1.25 -1.16 0.00 0.00 179.01 178.71 2k2f h LEU 61 N 0.00 0.00 -3.65 1.33 5.85 0.41 -2.80 115.31 116.45 2k2f h LEU 61 Ca 0.00 -0.05 -0.41 0.00 0.84 0.00 0.00 57.88 58.26 2k2f h LEU 61 Cb 0.81 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 41.67 2k2f h LEU 61 CO 0.00 0.02 0.52 0.47 -0.34 0.00 0.00 178.44 179.11 2k2f n ASP 62 N -2.61 6.74 0.23 1.25 8.00 -0.52 -4.64 116.55 124.99 2k2f n ASP 62 Ca 0.03 -3.23 0.03 0.00 0.71 0.00 0.00 54.79 52.33 2k2f n ASP 62 Cb 0.50 -1.05 0.04 0.00 -0.02 0.00 0.00 41.12 40.59 2k2f n ASP 62 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2k2f n GLU 63 N 0.11 0.02 -0.06 -1.24 0.28 -1.06 0.43 120.64 119.13 2k2f n GLU 63 Ca 0.38 0.81 0.08 0.00 -0.16 0.00 0.00 57.16 58.27 2k2f n GLU 63 Cb 0.59 -2.17 0.35 0.00 1.43 0.00 0.00 31.44 31.65 2k2f n GLU 63 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2k2f n ASN 64 N -2.27 0.90 -3.17 -1.84 3.02 -1.26 -4.87 115.26 105.76 2k2f n ASN 64 Ca 0.02 -1.69 -0.23 0.00 -0.03 0.00 0.00 54.58 52.65 2k2f n ASN 64 Cb 0.90 -0.07 0.03 0.00 -0.61 0.00 0.00 39.78 40.03 2k2f n ASN 64 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k2f n GLY 65 N 0.92 -0.52 0.01 7.41 0.00 1.47 -4.88 105.19 109.59 2k2f n GLY 65 Ca 0.13 0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.39 2k2f n GLY 65 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k2f n ASP 66 N -2.56 0.61 0.00 1.61 5.75 -1.22 -4.95 116.55 115.78 2k2f n ASP 66 Ca -0.08 -0.34 0.00 0.00 -0.01 0.00 0.00 54.79 54.36 2k2f n ASP 66 Cb 0.60 1.59 0.00 0.00 -1.03 0.00 0.00 41.12 42.27 2k2f n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k2f n GLY 67 N 1.40 2.68 3.58 6.12 0.00 -1.26 -4.94 105.19 112.77 2k2f n GLY 67 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 2k2f n GLY 67 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k2f s GLU 68 N 0.00 3.44 -0.12 1.61 2.02 -1.26 -3.66 118.70 120.73 2k2f s GLU 68 Ca 0.00 -0.47 -0.06 0.00 0.02 0.00 0.00 54.97 54.46 2k2f s GLU 68 Cb 0.00 -2.89 -0.04 0.00 0.10 0.00 0.00 34.13 31.30 2k2f s GLU 68 CO 0.00 0.41 0.12 0.08 0.02 0.00 0.00 175.26 175.89 2k2f s VAL 69 N -0.09 5.31 -0.25 2.63 1.01 -0.14 -4.87 120.40 124.01 2k2f s VAL 69 Ca 0.03 0.14 -0.13 0.00 0.00 0.00 0.00 61.98 62.02 2k2f s VAL 69 Cb -0.13 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 2k2f s VAL 69 CO 0.02 0.61 0.27 -1.81 0.00 0.00 0.00 175.10 174.20 2k2f s ASP 70 N -0.97 6.20 0.16 3.32 1.01 -1.26 -2.01 116.67 123.12 2k2f s ASP 70 Ca 0.14 0.22 0.11 0.00 0.71 0.00 0.00 52.55 53.74 2k2f s ASP 70 Cb -0.12 -2.16 0.54 0.00 1.01 0.00 0.00 42.92 42.19 2k2f s ASP 70 CO 0.04 -0.06 0.59 2.22 0.21 0.00 0.00 175.17 178.17 2k2f n PHE 71 N 4.76 0.31 -0.29 4.23 1.16 -1.26 0.20 117.46 126.58 2k2f n PHE 71 Ca -0.12 0.31 -0.04 0.00 -1.87 0.00 0.00 57.45 55.74 2k2f n PHE 71 Cb 0.51 -0.70 0.07 0.00 -1.61 0.00 0.00 39.48 37.76 2k2f n PHE 71 CO 0.00 0.00 0.00 0.37 -1.87 0.00 0.00 176.76 175.26 2k2f h GLN 72 N 0.00 1.05 -0.59 3.97 4.15 -2.01 -2.24 115.11 119.44 2k2f h GLN 72 Ca 0.33 -0.07 -0.10 0.00 0.77 0.00 0.00 58.65 59.57 2k2f h GLN 72 Cb 1.00 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 28.44 2k2f h GLN 72 CO -0.21 0.70 -0.03 0.93 -1.93 0.00 0.00 178.83 178.29 2k2f h GLU 73 N 1.07 1.06 -0.99 1.69 5.08 0.19 -3.11 114.58 119.59 2k2f h GLU 73 Ca 0.29 -0.36 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2k2f h GLU 73 Cb -0.11 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.00 2k2f h GLU 73 CO -0.06 1.06 0.65 0.35 -1.00 0.00 0.00 179.01 180.00 2k2f h PHE 74 N 0.96 1.25 -0.17 4.33 3.04 -1.37 -2.83 116.94 122.14 2k2f h PHE 74 Ca 0.16 0.03 -0.17 0.00 3.98 0.00 0.00 57.97 61.97 2k2f h PHE 74 Cb 0.60 -0.42 -0.01 0.00 2.56 0.00 0.00 35.95 38.68 2k2f h PHE 74 CO 0.04 0.79 -0.58 -0.24 -2.02 0.00 0.00 178.31 176.31 2k2f h VAL 75 N 1.34 1.33 0.52 1.41 3.04 -1.36 -2.49 116.25 120.04 2k2f h VAL 75 Ca 0.36 -1.84 -0.03 0.00 -1.01 0.00 0.00 66.70 64.19 2k2f h VAL 75 Cb -0.14 1.81 0.01 0.00 -2.01 0.00 0.00 31.29 30.95 2k2f h VAL 75 CO -0.08 0.57 -0.25 0.58 -1.01 0.00 0.00 177.57 177.38 2k2f h VAL 76 N 0.42 0.20 -0.21 1.51 2.07 -1.46 -2.69 116.25 116.09 2k2f h VAL 76 Ca 0.00 -0.49 -0.10 0.00 0.82 0.00 0.00 66.70 66.94 2k2f h VAL 76 Cb 1.13 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 2k2f h VAL 76 CO 0.11 0.04 -0.24 0.25 0.02 0.00 0.00 177.57 177.75 2k2f h LEU 77 N -1.09 0.58 -0.71 2.57 6.46 -1.63 -1.49 115.31 120.00 2k2f h LEU 77 Ca -0.07 -0.49 -0.08 0.00 -0.12 0.00 0.00 57.88 57.12 2k2f h LEU 77 Cb 0.59 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 40.33 2k2f h LEU 77 CO 0.12 0.95 0.11 0.58 -0.62 0.00 0.00 178.44 179.58 2k2f h VAL 78 N 0.22 1.26 0.00 1.05 2.07 -1.59 -2.83 116.25 116.43 2k2f h VAL 78 Ca 0.03 -1.03 -0.13 0.00 0.82 0.00 0.00 66.70 66.39 2k2f h VAL 78 Cb 0.80 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 2k2f h VAL 78 CO 0.06 0.39 -0.60 0.00 0.02 0.00 0.00 177.57 177.44 2k2f h ALA 79 N 1.08 0.68 0.00 1.67 0.00 -1.53 -3.00 119.26 118.16 2k2f h ALA 79 Ca 0.21 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2k2f h ALA 79 Cb 0.43 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2k2f h ALA 79 CO 0.01 0.75 -0.04 0.00 0.00 0.00 0.00 179.25 179.97 2k2f h ALA 80 N 1.40 1.54 0.00 0.00 0.00 -1.01 -1.83 119.26 119.36 2k2f h ALA 80 Ca -0.01 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 2k2f h ALA 80 Cb 1.36 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 2k2f h ALA 80 CO 0.08 0.05 -1.62 1.28 0.00 0.00 0.00 179.25 179.04 2k2f n LEU 81 N -3.92 0.60 0.07 0.00 4.77 -1.18 -3.11 117.00 114.22 2k2f n LEU 81 Ca -0.03 0.26 -0.12 0.00 -0.03 0.00 0.00 56.01 56.09 2k2f n LEU 81 Cb 0.13 0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.25 2k2f n LEU 81 CO 0.29 0.15 0.53 0.00 -1.33 0.00 0.00 177.39 177.03 2k2f h THR 82 N 0.00 0.97 -0.12 -5.08 1.03 -1.20 -1.94 112.91 106.57 2k2f h THR 82 Ca -0.19 -0.94 -0.23 0.00 -0.01 0.00 0.00 66.41 65.05 2k2f h THR 82 Cb 1.56 1.51 0.01 0.00 -1.07 0.00 0.00 68.15 70.15 2k2f h THR 82 CO 0.03 0.21 -0.82 0.58 -0.01 0.00 0.00 175.52 175.51 2k2f h VAL 83 N -0.70 1.29 -0.62 0.00 2.07 -1.70 -3.16 116.25 113.43 2k2f h VAL 83 Ca -0.02 -2.04 0.01 0.00 0.82 0.00 0.00 66.70 65.46 2k2f h VAL 83 Cb 0.50 2.06 -0.03 0.00 -1.52 0.00 0.00 31.29 32.30 2k2f h VAL 83 CO 0.04 0.64 0.41 0.00 0.02 0.00 0.00 177.57 178.68 2k2f h ALA 84 N 0.59 1.56 -0.79 1.67 0.00 -1.62 -1.49 119.26 119.18 2k2f h ALA 84 Ca -0.06 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2k2f h ALA 84 Cb 1.44 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 2k2f h ALA 84 CO 0.16 0.40 0.30 0.00 0.00 0.00 0.00 179.25 180.11 2k2f h ASN 86 N 1.16 1.14 -0.71 0.00 -0.26 -1.28 -1.72 115.58 113.91 2k2f h ASN 86 Ca 0.26 -0.07 0.00 0.00 -0.56 0.00 0.00 56.30 55.94 2k2f h ASN 86 Cb 0.24 -0.29 -0.03 0.00 -1.06 0.00 0.00 38.32 37.18 2k2f h ASN 86 CO -0.02 0.88 0.46 -1.13 -1.06 0.00 0.00 177.43 176.56 2k2f h ASN 87 N 1.31 0.82 1.15 5.81 -1.24 -1.06 -1.98 115.58 120.39 2k2f h ASN 87 Ca 0.34 -0.03 -0.05 0.00 0.71 0.00 0.00 56.30 57.27 2k2f h ASN 87 Cb -0.05 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 38.78 2k2f h ASN 87 CO -0.06 0.60 -0.24 -0.26 -1.29 0.00 0.00 177.43 176.18 2k2f h PHE 88 N 0.96 0.00 -5.86 0.67 0.04 -1.23 -3.48 116.94 108.04 2k2f h PHE 88 Ca 0.26 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.85 2k2f h PHE 88 Cb -0.09 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.06 2k2f h PHE 88 CO -0.02 0.24 -0.76 1.19 -0.60 0.00 0.00 178.31 178.36 2k2f n PHE 89 N -3.31 -3.05 0.34 -0.55 3.72 -0.68 -4.67 117.46 109.26 2k2f n PHE 89 Ca 0.01 1.24 0.21 0.00 -0.05 0.00 0.00 57.45 58.86 2k2f n PHE 89 Cb 0.49 -3.16 1.12 0.00 -0.94 0.00 0.00 39.48 36.99 2k2f n PHE 89 CO 0.00 0.00 0.00 0.11 -0.05 0.00 0.00 176.76 176.82 2k2f h TRP 90 N 1.71 0.00 0.00 1.38 5.08 -1.88 0.44 115.95 122.67 2k2f h TRP 90 Ca -0.25 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.72 2k2f h TRP 90 Cb 1.18 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.34 2k2f h TRP 90 CO 0.08 0.00 0.00 -1.91 -1.28 0.00 0.00 178.44 175.33 2k2f n GLU 91 N -3.06 0.15 0.07 0.12 2.13 -1.26 -1.48 120.64 117.32 2k2f n GLU 91 Ca -0.03 0.19 0.13 0.00 0.66 0.00 0.00 57.16 58.11 2k2f n GLU 91 Cb 0.15 -1.50 0.47 0.00 0.27 0.00 0.00 31.44 30.83 2k2f n GLU 91 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2k2f n ASN 92 N -1.32 0.54 0.00 4.31 5.15 0.15 -5.29 115.26 118.80 2k2f n ASN 92 Ca 0.05 0.56 0.00 0.00 -0.60 0.00 0.00 54.58 54.59 2k2f n ASN 92 Cb 0.11 -0.70 0.00 0.00 -0.53 0.00 0.00 39.78 38.66 2k2f n ASN 92 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12