#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 0.80 0.05 1.61 2.88 -1.26 -4.39 113.62 113.31 2k2f n SER 2 Ca 0.00 -0.77 -0.13 0.00 -1.33 0.00 0.00 58.87 56.65 2k2f n SER 2 Cb 0.00 1.08 -0.08 0.00 -0.75 0.00 0.00 64.21 64.46 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 -0.92 -1.46 3.07 -2.06 -2.22 114.58 110.90 2k2f h GLU 3 Ca 0.00 0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2k2f h GLU 3 Cb 0.40 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.29 2k2f h GLU 3 CO 0.00 0.13 0.57 1.25 -1.40 0.00 0.00 179.01 179.56 2k2f h LEU 4 N -0.31 1.09 -0.40 1.33 5.85 -2.00 -1.08 115.31 119.80 2k2f h LEU 4 Ca -0.01 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.71 2k2f h LEU 4 Cb 0.27 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 2k2f h LEU 4 CO 0.02 0.83 0.10 -0.08 -0.34 0.00 0.00 178.44 178.96 2k2f h GLU 5 N 1.27 0.23 0.00 1.25 4.81 -1.72 -0.05 114.58 120.37 2k2f h GLU 5 Ca 0.33 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.49 2k2f h GLU 5 Cb -0.08 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 2k2f h GLU 5 CO -0.06 0.15 -0.30 1.79 -0.73 0.00 0.00 179.01 179.86 2k2f h THR 6 N 0.24 1.17 -0.42 0.32 1.35 -0.76 -3.02 112.91 111.79 2k2f h THR 6 Ca 0.19 -1.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 2k2f h THR 6 Cb 0.21 1.56 -0.02 0.00 -1.73 0.00 0.00 68.15 68.17 2k2f h THR 6 CO -0.23 0.29 0.27 0.00 -0.25 0.00 0.00 175.52 175.60 2k2f h ALA 7 N 1.70 0.53 -0.62 6.62 0.00 0.26 -0.71 119.26 127.04 2k2f h ALA 7 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2k2f h ALA 7 Cb 0.54 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2k2f h ALA 7 CO 0.04 -0.01 0.40 1.98 0.00 0.00 0.00 179.25 181.66 2k2f h MET 8 N 0.56 0.82 -0.75 0.00 -1.53 -1.38 -2.27 114.93 110.38 2k2f h MET 8 Ca 0.15 -0.05 -0.06 0.00 -3.44 0.00 0.00 59.70 56.30 2k2f h MET 8 Cb -0.05 -0.18 -0.03 0.00 -0.55 0.00 0.00 31.60 30.79 2k2f h MET 8 CO -0.03 0.55 0.24 1.49 0.14 0.00 0.00 176.91 179.30 2k2f h GLU 9 N 0.84 1.16 -0.49 0.39 4.57 -1.48 -2.93 114.58 116.64 2k2f h GLU 9 Ca 0.23 -0.25 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 2k2f h GLU 9 Cb -0.09 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.31 2k2f h GLU 9 CO -0.05 0.98 0.27 1.79 -1.18 0.00 0.00 179.01 180.82 2k2f h THR 10 N 1.12 1.17 -0.69 0.32 1.35 -0.71 -2.16 112.91 113.31 2k2f h THR 10 Ca 0.24 -0.44 0.06 0.00 -0.55 0.00 0.00 66.41 65.72 2k2f h THR 10 Cb 0.30 0.57 -0.04 0.00 -1.73 0.00 0.00 68.15 67.25 2k2f h THR 10 CO -0.01 0.18 0.45 -0.07 -0.25 0.00 0.00 175.52 175.83 2k2f h LEU 11 N 0.65 0.63 -0.02 3.87 3.38 -1.24 -2.49 115.31 120.08 2k2f h LEU 11 Ca 0.17 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.93 2k2f h LEU 11 Cb 0.05 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2k2f h LEU 11 CO -0.03 0.41 -1.01 0.40 0.09 0.00 0.00 178.44 178.30 2k2f h ILE 12 N 0.71 1.68 -0.79 1.22 1.08 -1.35 -2.47 117.51 117.60 2k2f h ILE 12 Ca 0.29 -3.33 -0.04 0.00 -0.39 0.00 0.00 64.86 61.40 2k2f h ILE 12 Cb 0.25 2.82 -0.04 0.00 -3.07 0.00 0.00 36.82 36.79 2k2f h ILE 12 CO -0.09 0.95 0.33 -1.13 -0.69 0.00 0.00 178.15 177.51 2k2f h ASN 13 N 0.01 1.09 0.39 1.72 -1.24 -0.94 -2.51 115.58 114.10 2k2f h ASN 13 Ca -0.02 -0.17 -0.32 0.00 0.71 0.00 0.00 56.30 56.50 2k2f h ASN 13 Cb 1.76 -0.28 0.01 0.00 0.73 0.00 0.00 38.32 40.54 2k2f h ASN 13 CO 0.14 0.96 -1.48 -0.37 -1.29 0.00 0.00 177.43 175.38 2k2f h VAL 14 N 1.15 1.25 -0.01 2.57 -1.51 -1.62 -3.05 116.25 115.03 2k2f h VAL 14 Ca 0.27 -2.78 0.00 0.00 -1.23 0.00 0.00 66.70 62.95 2k2f h VAL 14 Cb 0.20 2.91 -0.00 0.00 -2.13 0.00 0.00 31.29 32.27 2k2f h VAL 14 CO -0.02 0.84 0.00 0.15 -1.23 0.00 0.00 177.57 177.31 2k2f h PHE 15 N 0.10 0.01 0.00 5.19 3.57 -1.35 -2.13 116.94 122.33 2k2f h PHE 15 Ca -0.24 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.23 2k2f h PHE 15 Cb 2.08 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.81 2k2f h PHE 15 CO 0.09 0.00 -0.15 0.45 -2.23 0.00 0.00 178.31 176.48 2k2f h HIS 16 N 0.01 0.00 0.01 0.41 3.86 -1.60 -2.72 115.15 115.12 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 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2k2f h HIS 16 CO -0.08 0.15 -0.01 0.00 0.86 0.00 0.00 177.93 178.85 2k2f h ALA 17 N 1.85 -0.03 -0.68 2.45 0.00 -1.33 -3.14 119.26 118.39 2k2f h ALA 17 Ca -0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2k2f h ALA 17 Cb 0.74 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 2k2f h ALA 17 CO 0.02 -0.02 0.11 0.45 0.00 0.00 0.00 179.25 179.81 2k2f h HIS 18 N -0.50 1.19 0.00 0.00 3.86 -1.53 -2.59 115.15 115.57 2k2f h HIS 18 Ca -0.00 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 59.04 2k2f h HIS 18 Cb 0.01 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.15 2k2f h HIS 18 CO 0.00 0.99 0.00 0.43 0.86 0.00 0.00 177.93 180.21 2k2f n SER 19 N -4.21 0.61 -1.39 2.45 7.64 -1.03 -2.26 113.62 115.43 2k2f n SER 19 Ca 0.04 0.67 0.09 0.00 1.01 0.00 0.00 58.87 60.69 2k2f n SER 19 Cb 0.29 -0.79 0.32 0.00 -1.01 0.00 0.00 64.21 63.03 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 -0.19 2.79 0.02 0.23 0.00 -0.98 -3.16 105.19 103.91 2k2f n GLY 20 Ca 0.02 -0.80 -0.01 0.00 0.00 0.00 0.00 46.02 45.23 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 3.75 0.00 0.00 1.61 1.79 -1.46 -3.42 116.57 118.84 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 1.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 2k2f h LYS 21 CO 0.16 0.00 0.00 -0.85 -1.08 0.00 0.00 179.45 177.68 2k2f n GLU 22 N -3.17 1.75 -1.73 3.15 0.28 -1.26 -5.05 120.64 114.62 2k2f n GLU 22 Ca -0.01 -1.18 -0.30 0.00 -0.16 0.00 0.00 57.16 55.51 2k2f n GLU 22 Cb 0.04 -0.98 0.21 0.00 1.43 0.00 0.00 31.44 32.14 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 1.75 0.74 -1.84 0.00 -1.19 -5.07 107.32 101.02 2k2f s GLY 23 Ca 0.00 -1.19 -0.02 0.00 0.00 0.00 0.00 44.72 43.51 2k2f s GLY 23 CO 0.00 -0.37 1.01 -0.35 0.00 0.00 0.00 173.10 173.39 2k2f s ASP 24 N -4.69 4.27 -0.69 1.64 -1.08 -1.23 -4.88 116.67 110.01 2k2f s ASP 24 Ca 0.74 -0.34 -0.26 0.00 -0.52 0.00 0.00 52.55 52.18 2k2f s ASP 24 Cb -0.04 -0.01 -0.07 0.00 -1.46 0.00 0.00 42.92 41.33 2k2f s ASP 24 CO 0.54 -1.92 2.15 -0.54 0.52 0.00 0.00 175.17 175.92 2k2f s LYS 25 N -5.19 2.23 -0.45 4.34 1.02 -1.26 -3.12 119.74 117.31 2k2f s LYS 25 Ca 0.67 0.58 -0.00 0.00 0.02 0.00 0.00 55.97 57.24 2k2f s LYS 25 Cb -0.05 -4.69 0.00 0.00 -0.52 0.00 0.00 37.83 32.57 2k2f s LYS 25 CO 0.45 -3.43 0.00 0.66 -0.92 0.00 0.00 175.35 172.11 2k2f n TYR 26 N 15.25 -0.25 -4.34 3.18 4.01 -1.26 -5.05 117.16 128.69 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 -1.76 -0.15 0.00 -0.31 0.00 0.00 39.34 37.62 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 -4.27 0.75 0.29 -0.72 2.47 -1.18 -4.97 119.74 112.11 2k2f s LYS 27 Ca 0.00 -0.29 -0.00 0.00 -1.56 0.00 0.00 55.97 54.12 2k2f s LYS 27 Cb -0.00 -0.72 -0.04 0.00 -1.46 0.00 0.00 37.83 35.61 2k2f s LYS 27 CO 0.00 0.15 0.50 -1.17 0.16 0.00 0.00 175.35 174.99 2k2f s LEU 28 N -0.05 4.09 0.16 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 54.38 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 -0.20 0.03 -0.55 -1.32 0.00 0.00 176.35 174.31 2k2f s SER 29 N -3.66 0.81 0.24 3.68 0.15 -1.26 -0.88 113.70 112.77 2k2f s SER 29 Ca 0.40 -1.20 -0.09 0.00 0.70 0.00 0.00 55.95 55.76 2k2f s SER 29 Cb -0.10 0.20 0.38 0.00 -1.71 0.00 0.00 66.02 64.79 2k2f s SER 29 CO 0.33 -0.65 1.63 0.50 1.20 0.00 0.00 173.24 176.25 2k2f h LYS 30 N 2.76 0.07 0.00 5.44 3.64 -1.96 0.93 116.57 127.45 2k2f h LYS 30 Ca -0.36 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 58.96 2k2f h LYS 30 Cb 1.20 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 2k2f h LYS 30 CO 0.61 0.05 -0.28 1.57 -2.27 0.00 0.00 179.45 179.13 2k2f h LYS 31 N 0.08 0.00 -0.04 1.90 2.10 -1.96 -2.64 116.57 116.00 2k2f h LYS 31 Ca 0.38 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.79 2k2f h LYS 31 Cb 0.65 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.99 2k2f h LYS 31 CO -0.66 0.28 -0.95 0.93 -2.00 0.00 0.00 179.45 177.05 2k2f h GLU 32 N 0.00 0.66 -0.00 0.07 5.08 -1.24 -3.18 114.58 115.96 2k2f h GLU 32 Ca -0.00 -0.65 -0.24 0.00 -1.00 0.00 0.00 59.36 57.47 2k2f h GLU 32 Cb 0.78 0.17 0.01 0.00 0.50 0.00 0.00 28.75 30.21 2k2f h GLU 32 CO 0.04 1.25 -0.96 1.37 -1.00 0.00 0.00 179.01 179.70 2k2f h LEU 33 N 0.39 0.64 -0.89 1.33 8.10 -1.28 -2.23 115.31 121.38 2k2f h LEU 33 Ca -0.10 -0.51 0.01 0.00 0.11 0.00 0.00 57.88 57.39 2k2f h LEU 33 Cb 1.59 -0.20 -0.04 0.00 -0.44 0.00 0.00 40.66 41.56 2k2f h LEU 33 CO 0.18 1.31 0.58 0.50 -4.11 0.00 0.00 178.44 176.91 2k2f h LYS 34 N 0.28 1.18 0.04 0.17 3.64 -1.55 -2.58 116.57 117.75 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 1.60 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 33.14 2k2f h LYS 34 CO 0.17 0.79 -1.07 0.22 -2.27 0.00 0.00 179.45 177.29 2k2f h ASP 35 N 1.21 0.14 -0.61 4.20 1.82 -1.60 -3.18 116.42 118.41 2k2f h ASP 35 Ca 0.33 -0.15 -0.10 0.00 -0.39 0.00 0.00 57.03 56.71 2k2f h ASP 35 Cb -0.13 -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 -0.01 0.25 -1.61 0.00 0.00 179.24 178.91 2k2f h LEU 36 N 0.03 1.07 0.18 2.28 5.85 -1.09 -3.02 115.31 120.60 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 1.82 -0.29 0.01 0.00 0.37 0.00 0.00 40.66 42.57 2k2f h LEU 36 CO 0.15 1.12 -1.79 0.17 -0.34 0.00 0.00 178.44 177.75 2k2f h LEU 37 N 0.99 0.60 -0.64 2.25 8.10 -1.59 -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 57.15 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 0.00 178.44 176.37 2k2f h GLN 38 N 0.10 1.04 -0.32 0.17 3.07 -1.65 0.86 115.11 118.37 2k2f h GLN 38 Ca -0.36 -0.26 -0.18 0.00 0.09 0.00 0.00 58.65 57.95 2k2f h GLN 38 Cb 2.09 -0.13 -0.00 0.00 0.08 0.00 0.00 27.48 29.52 2k2f h GLN 38 CO 0.17 0.94 -0.49 1.15 0.09 0.00 0.00 178.83 180.69 2k2f h THR 39 N 0.96 1.27 0.00 1.86 2.02 -1.70 -3.19 112.91 114.13 2k2f h THR 39 Ca 0.20 -1.67 0.00 0.00 0.77 0.00 0.00 66.41 65.71 2k2f h THR 39 Cb 0.38 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 2k2f h THR 39 CO 0.01 0.55 -1.20 -0.62 0.37 0.00 0.00 175.52 174.63 2k2f n GLU 40 N -4.03 0.36 -3.41 6.66 4.71 -1.17 -4.61 120.64 119.15 2k2f n GLU 40 Ca -0.04 -0.03 -0.26 0.00 -0.01 0.00 0.00 57.16 56.82 2k2f n GLU 40 Cb 0.60 -1.59 -0.09 0.00 -1.01 0.00 0.00 31.44 29.35 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 -2.04 0.71 -4.79 -4.62 4.77 0.30 -5.06 117.00 106.26 2k2f n LEU 41 Ca 0.01 -4.71 -0.38 0.00 -0.03 0.00 0.00 56.01 50.89 2k2f n LEU 41 Cb 0.46 0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 41.74 2k2f n LEU 41 CO 0.41 1.93 0.42 -0.94 -1.33 0.00 0.00 177.39 177.89 2k2f s SER 42 N -0.83 7.23 0.00 -1.43 1.04 -1.20 -2.99 113.70 115.51 2k2f s SER 42 Ca 0.33 1.51 0.00 0.00 0.48 0.00 0.00 55.95 58.27 2k2f s SER 42 Cb 0.08 -2.45 0.00 0.00 0.10 0.00 0.00 66.02 63.75 2k2f s SER 42 CO -0.15 0.17 0.00 -1.20 0.98 0.00 0.00 173.24 173.04 2k2f n SER 43 N 1.34 0.00 -0.01 7.02 7.64 -1.26 -4.74 113.62 123.61 2k2f n SER 43 Ca -0.05 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.81 2k2f n SER 43 Cb 0.50 -0.73 -0.00 0.00 -1.01 0.00 0.00 64.21 62.96 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 -3.75 1.43 3.72 -1.24 -5.00 117.46 110.62 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 -0.07 -0.06 0.00 -0.94 0.00 0.00 39.48 38.41 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 -5.64 4.42 0.15 4.37 2.01 -1.16 -4.98 118.68 117.85 2k2f s LEU 45 Ca -0.04 0.63 0.09 0.00 0.01 0.00 0.00 54.13 54.82 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 0.06 0.38 -0.20 -1.81 1.01 0.00 0.00 176.35 175.80 2k2f s ASP 46 N -1.06 2.72 0.00 2.29 1.01 -1.26 -4.72 116.67 115.65 2k2f s ASP 46 Ca 0.18 -0.82 0.00 0.00 0.71 0.00 0.00 52.55 52.63 2k2f s ASP 46 Cb -0.14 -0.16 0.00 0.00 1.01 0.00 0.00 42.92 43.63 2k2f s ASP 46 CO 0.07 0.01 0.00 1.33 0.21 0.00 0.00 175.17 176.79 2k2f n VAL 47 N 0.50 0.00 0.13 -1.27 0.24 -1.26 -4.87 118.33 111.81 2k2f n VAL 47 Ca -0.15 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.26 2k2f n VAL 47 Cb 0.56 0.00 0.04 0.00 -1.47 0.00 0.00 33.84 32.97 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 0.03 -0.29 0.87 0.09 0.00 0.00 178.83 179.53 2k2f h LYS 49 N 0.00 0.90 -4.27 0.06 1.57 -1.98 -3.41 116.57 109.43 2k2f h LYS 49 Ca -0.01 -0.42 -0.54 0.00 -1.87 0.00 0.00 60.65 57.81 2k2f h LYS 49 Cb 1.05 -0.01 -0.37 0.00 0.08 0.00 0.00 32.23 32.98 2k2f h LYS 49 CO 0.01 1.07 -0.81 -0.51 -0.57 0.00 0.00 179.45 178.64 2k2f s ASP 50 N -6.78 2.33 0.41 0.86 1.01 -1.25 -4.99 116.67 108.26 2k2f s ASP 50 Ca -0.10 -0.37 0.20 0.00 0.71 0.00 0.00 52.55 52.98 2k2f s ASP 50 Cb 0.12 -0.89 0.86 0.00 1.01 0.00 0.00 42.92 44.02 2k2f s ASP 50 CO 0.86 -0.12 1.82 0.00 0.21 0.00 0.00 175.17 177.95 2k2f h ALA 51 N 8.15 1.12 0.00 5.23 0.00 -1.81 -2.25 119.26 129.70 2k2f h ALA 51 Ca -0.30 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.27 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 0.39 -0.25 -0.44 0.00 0.00 0.00 179.25 179.37 2k2f h ASP 52 N 0.00 0.00 -0.07 0.00 3.32 -1.94 -2.75 116.42 114.99 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 0.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.29 2k2f h ASP 52 CO 0.04 0.25 -0.73 0.00 -1.72 0.00 0.00 179.24 177.08 2k2f h ALA 53 N 1.75 0.41 0.26 3.45 0.00 -1.72 -2.80 119.26 120.61 2k2f h ALA 53 Ca -0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 2k2f h ALA 53 Cb 0.63 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2k2f h ALA 53 CO 0.03 0.70 -0.13 0.28 0.00 0.00 0.00 179.25 180.14 2k2f h VAL 54 N 0.49 0.63 -0.76 0.00 2.07 -1.48 -2.36 116.25 114.85 2k2f h VAL 54 Ca -0.04 -0.86 -0.06 0.00 0.82 0.00 0.00 66.70 66.57 2k2f h VAL 54 Cb 1.34 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 2k2f h VAL 54 CO 0.15 0.15 0.25 -2.24 0.02 0.00 0.00 177.57 175.89 2k2f h ASP 55 N -0.89 1.10 -0.26 0.57 2.03 -1.63 -0.37 116.42 116.97 2k2f h ASP 55 Ca -0.04 -0.20 -0.16 0.00 -0.73 0.00 0.00 57.03 55.90 2k2f h ASP 55 Cb 0.51 -0.29 -0.01 0.00 -0.83 0.00 0.00 39.33 38.72 2k2f h ASP 55 CO 0.06 1.01 -0.42 0.11 -1.03 0.00 0.00 179.24 178.97 2k2f h LYS 56 N 1.13 0.81 0.00 4.15 1.57 -1.59 -2.34 116.57 120.30 2k2f h LYS 56 Ca 0.25 -0.44 -0.02 0.00 -1.87 0.00 0.00 60.65 58.56 2k2f h LYS 56 Cb 0.30 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 2k2f h LYS 56 CO -0.01 1.07 -0.19 0.82 -0.57 0.00 0.00 179.45 180.57 2k2f h ILE 57 N 0.66 0.74 -0.50 1.86 2.04 -1.32 -3.09 117.51 117.91 2k2f h ILE 57 Ca 0.05 -1.61 0.00 0.00 1.00 0.00 0.00 64.86 64.31 2k2f h ILE 57 Cb 0.99 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 38.49 2k2f h ILE 57 CO 0.09 0.25 0.33 -0.03 0.00 0.00 0.00 178.15 178.79 2k2f h MET 58 N -1.00 0.66 -0.32 2.37 4.05 -1.20 2.25 114.93 121.74 2k2f h MET 58 Ca -0.04 -0.04 -0.11 0.00 -0.28 0.00 0.00 59.70 59.23 2k2f h MET 58 Cb 0.55 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 2k2f h MET 58 CO -0.02 0.44 -0.26 0.87 0.23 0.00 0.00 176.91 178.16 2k2f h LYS 59 N 0.68 0.64 0.00 0.39 1.57 -1.55 -1.17 116.57 117.11 2k2f h LYS 59 Ca 0.18 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2k2f h LYS 59 Cb -0.08 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.21 2k2f h LYS 59 CO -0.04 0.84 -0.59 0.93 -0.57 0.00 0.00 179.45 180.02 2k2f h GLU 60 N 0.55 0.00 0.00 3.15 4.39 -1.38 -3.23 114.58 118.07 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 0.74 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 2k2f h GLU 60 CO 0.06 0.00 -0.45 1.25 -1.16 0.00 0.00 179.01 178.70 2k2f h LEU 61 N 0.00 0.00 -3.65 1.33 5.85 0.41 -2.80 115.31 116.46 2k2f h LEU 61 Ca 0.00 -0.04 -0.40 0.00 0.84 0.00 0.00 57.88 58.28 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 0.50 0.47 -0.34 0.00 0.00 178.44 179.09 2k2f n ASP 62 N -2.68 6.71 0.23 1.25 8.00 -0.48 -4.64 116.55 124.95 2k2f n ASP 62 Ca 0.03 -3.21 0.03 0.00 0.71 0.00 0.00 54.79 52.34 2k2f n ASP 62 Cb 0.51 -1.06 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 0.15 0.02 -0.05 -1.24 0.28 -1.06 0.43 120.64 119.18 2k2f n GLU 63 Ca 0.37 0.81 0.09 0.00 -0.16 0.00 0.00 57.16 58.27 2k2f n GLU 63 Cb 0.59 -2.18 0.40 0.00 1.43 0.00 0.00 31.44 31.67 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 -2.28 0.85 -3.02 -1.84 3.02 -1.26 -4.87 115.26 105.85 2k2f n ASN 64 Ca 0.02 -1.64 -0.22 0.00 -0.03 0.00 0.00 54.58 52.71 2k2f n ASN 64 Cb 0.90 -0.06 0.03 0.00 -0.61 0.00 0.00 39.78 40.04 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 0.93 -0.52 0.01 7.41 0.00 1.49 -4.87 105.19 109.63 2k2f n GLY 65 Ca 0.13 0.12 0.10 0.00 0.00 0.00 0.00 46.02 46.38 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 -2.48 0.44 0.00 1.61 5.75 -1.22 -4.95 116.55 115.71 2k2f n ASP 66 Ca -0.11 -0.33 0.00 0.00 -0.01 0.00 0.00 54.79 54.34 2k2f n ASP 66 Cb 0.62 1.64 0.00 0.00 -1.03 0.00 0.00 41.12 42.35 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 1.36 2.55 3.61 6.12 0.00 -1.26 -4.94 105.19 112.63 2k2f n GLY 67 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 3.28 -0.11 1.61 2.02 -1.26 -3.69 118.70 120.55 2k2f s GLU 68 Ca 0.00 -0.45 -0.05 0.00 0.02 0.00 0.00 54.97 54.49 2k2f s GLU 68 Cb 0.00 -2.86 -0.04 0.00 0.10 0.00 0.00 34.13 31.33 2k2f s GLU 68 CO 0.00 0.51 0.10 0.08 0.02 0.00 0.00 175.26 175.97 2k2f s VAL 69 N -0.37 5.12 -0.25 2.63 1.01 -0.06 -4.86 120.40 123.62 2k2f s VAL 69 Ca 0.07 0.05 -0.13 0.00 0.00 0.00 0.00 61.98 61.97 2k2f s VAL 69 Cb -0.12 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 2k2f s VAL 69 CO 0.02 0.61 0.26 -1.81 0.00 0.00 0.00 175.10 174.18 2k2f s ASP 70 N -1.00 6.19 0.15 3.32 1.01 -1.26 -2.01 116.67 123.06 2k2f s ASP 70 Ca 0.15 0.21 0.10 0.00 0.71 0.00 0.00 52.55 53.72 2k2f s ASP 70 Cb -0.12 -2.16 0.52 0.00 1.01 0.00 0.00 42.92 42.18 2k2f s ASP 70 CO 0.04 -0.05 0.57 2.22 0.21 0.00 0.00 175.17 178.16 2k2f n PHE 71 N 4.74 0.31 -0.30 4.23 1.16 -1.26 0.20 117.46 126.54 2k2f n PHE 71 Ca -0.12 0.32 -0.04 0.00 -1.87 0.00 0.00 57.45 55.74 2k2f n PHE 71 Cb 0.52 -0.71 0.08 0.00 -1.61 0.00 0.00 39.48 37.75 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 1.08 -0.58 3.97 4.15 -2.01 -2.27 115.11 119.46 2k2f h GLN 72 Ca 0.32 -0.07 -0.11 0.00 0.77 0.00 0.00 58.65 59.56 2k2f h GLN 72 Cb 0.96 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 28.38 2k2f h GLN 72 CO -0.21 0.72 -0.06 0.93 -1.93 0.00 0.00 178.83 178.28 2k2f h GLU 73 N 1.11 1.06 -1.00 1.69 5.08 0.19 -3.11 114.58 119.60 2k2f h GLU 73 Ca 0.30 -0.37 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2k2f h GLU 73 Cb -0.13 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.00 2k2f h GLU 73 CO -0.06 1.07 0.66 0.35 -1.00 0.00 0.00 179.01 180.02 2k2f h PHE 74 N 0.95 1.26 -0.18 4.33 3.04 -1.38 -2.83 116.94 122.13 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 0.63 -0.42 -0.00 0.00 2.56 0.00 0.00 35.95 38.71 2k2f h PHE 74 CO 0.04 0.80 -0.58 -0.24 -2.02 0.00 0.00 178.31 176.31 2k2f h VAL 75 N 1.35 1.32 0.52 1.41 3.04 -1.37 -2.50 116.25 120.04 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 -0.15 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 -2.69 116.25 116.10 2k2f h VAL 76 Ca 0.00 -0.48 -0.09 0.00 0.82 0.00 0.00 66.70 66.95 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 -0.23 0.25 0.02 0.00 0.00 177.57 177.76 2k2f h LEU 77 N -1.10 0.56 -0.72 2.57 6.46 -1.63 -1.60 115.31 119.85 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 0.60 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.34 2k2f h LEU 77 CO 0.12 0.93 0.07 0.58 -0.62 0.00 0.00 178.44 179.52 2k2f h VAL 78 N 0.20 1.26 0.00 1.05 2.07 -1.59 -2.85 116.25 116.38 2k2f h VAL 78 Ca 0.03 -1.05 -0.13 0.00 0.82 0.00 0.00 66.70 66.37 2k2f h VAL 78 Cb 0.78 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 2k2f h VAL 78 CO 0.06 0.39 -0.61 0.00 0.02 0.00 0.00 177.57 177.43 2k2f h ALA 79 N 1.09 0.67 0.00 1.67 0.00 -1.53 -3.00 119.26 118.16 2k2f h ALA 79 Ca 0.19 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2k2f h ALA 79 Cb 0.46 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2k2f h ALA 79 CO 0.02 0.76 -0.03 0.00 0.00 0.00 0.00 179.25 180.00 2k2f h ALA 80 N 1.39 1.13 0.00 0.00 0.00 -1.04 -1.77 119.26 118.97 2k2f h ALA 80 Ca -0.01 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 2k2f h ALA 80 Cb 1.38 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 2k2f h ALA 80 CO 0.08 0.03 -1.87 1.28 0.00 0.00 0.00 179.25 178.77 2k2f n LEU 81 N -3.30 0.34 0.06 0.00 4.77 -1.18 -3.22 117.00 114.47 2k2f n LEU 81 Ca -0.02 0.15 -0.12 0.00 -0.03 0.00 0.00 56.01 55.98 2k2f n LEU 81 Cb 0.16 0.18 -0.09 0.00 -2.33 0.00 0.00 43.42 41.34 2k2f n LEU 81 CO 0.25 0.19 0.54 0.00 -1.33 0.00 0.00 177.39 177.04 2k2f h THR 82 N 0.00 1.02 -0.09 -5.08 1.03 -1.19 -1.90 112.91 106.70 2k2f h THR 82 Ca -0.23 -0.97 -0.23 0.00 -0.01 0.00 0.00 66.41 64.97 2k2f h THR 82 Cb 1.58 1.59 0.01 0.00 -1.07 0.00 0.00 68.15 70.27 2k2f h THR 82 CO 0.02 0.22 -0.87 0.58 -0.01 0.00 0.00 175.52 175.46 2k2f h VAL 83 N -0.67 1.30 -0.58 0.00 2.07 -1.70 -3.16 116.25 113.49 2k2f h VAL 83 Ca -0.02 -2.11 0.01 0.00 0.82 0.00 0.00 66.70 65.40 2k2f h VAL 83 Cb 0.50 2.15 -0.03 0.00 -1.52 0.00 0.00 31.29 32.39 2k2f h VAL 83 CO 0.03 0.66 0.39 0.00 0.02 0.00 0.00 177.57 178.67 2k2f h ALA 84 N 0.56 1.60 -0.79 1.67 0.00 -1.62 -1.47 119.26 119.19 2k2f h ALA 84 Ca -0.08 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2k2f h ALA 84 Cb 1.50 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 2k2f h ALA 84 CO 0.17 0.37 0.32 0.00 0.00 0.00 0.00 179.25 180.11 2k2f h ASN 86 N 1.15 1.13 -0.66 0.00 -0.26 -1.27 -1.76 115.58 113.92 2k2f h ASN 86 Ca 0.26 -0.08 0.01 0.00 -0.56 0.00 0.00 56.30 55.93 2k2f h ASN 86 Cb 0.21 -0.29 -0.03 0.00 -1.06 0.00 0.00 38.32 37.15 2k2f h ASN 86 CO -0.02 0.88 0.43 -1.13 -1.06 0.00 0.00 177.43 176.53 2k2f h ASN 87 N 1.29 0.75 1.14 5.81 -1.24 -1.07 -2.03 115.58 120.22 2k2f h ASN 87 Ca 0.33 -0.02 -0.05 0.00 0.71 0.00 0.00 56.30 57.27 2k2f h ASN 87 Cb -0.03 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 38.83 2k2f h ASN 87 CO -0.06 0.54 -0.24 -0.26 -1.29 0.00 0.00 177.43 176.12 2k2f h PHE 88 N 0.88 0.00 -5.87 0.67 0.04 -1.24 -3.48 116.94 107.94 2k2f h PHE 88 Ca 0.24 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.83 2k2f h PHE 88 Cb -0.10 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.06 2k2f h PHE 88 CO -0.03 0.24 -0.78 1.19 -0.60 0.00 0.00 178.31 178.33 2k2f n PHE 89 N -3.31 -3.06 0.34 -0.55 3.72 -0.69 -4.67 117.46 109.23 2k2f n PHE 89 Ca 0.01 1.25 0.21 0.00 -0.05 0.00 0.00 57.45 58.87 2k2f n PHE 89 Cb 0.49 -3.12 1.13 0.00 -0.94 0.00 0.00 39.48 37.04 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 1.78 0.00 0.00 1.38 5.08 -1.88 0.43 115.95 122.74 2k2f h TRP 90 Ca -0.26 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.71 2k2f h TRP 90 Cb 1.19 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.35 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 -3.04 0.16 0.07 0.12 2.13 -1.26 -1.47 120.64 117.36 2k2f n GLU 91 Ca -0.03 0.18 0.13 0.00 0.66 0.00 0.00 57.16 58.10 2k2f n GLU 91 Cb 0.14 -1.50 0.47 0.00 0.27 0.00 0.00 31.44 30.82 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 -1.31 0.54 0.00 4.31 5.15 0.15 -5.29 115.26 118.81 2k2f n ASN 92 Ca 0.06 0.56 0.00 0.00 -0.60 0.00 0.00 54.58 54.60 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