#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1f n SER 2 N 0.00 0.00 0.00 3.17 7.64 -1.26 -4.36 113.62 118.81 2k1f n SER 2 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2k1f n SER 2 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2k1f n SER 2 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2k1f n ASP 3 N 4.06 0.00 0.00 6.43 8.00 -1.26 -5.10 116.55 128.68 2k1f n ASP 3 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2k1f n ASP 3 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2k1f n ASP 3 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2k1f n GLU 4 N 0.00 0.00 -3.65 -1.24 2.13 -1.26 -5.01 120.64 111.61 2k1f n GLU 4 Ca 0.00 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.50 2k1f n GLU 4 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 2k1f n GLU 4 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2k1f s LYS 5 N 0.13 3.66 0.33 5.31 2.47 -1.26 -0.08 119.74 130.29 2k1f s LYS 5 Ca 0.00 -0.01 0.02 0.00 -1.56 0.00 0.00 55.97 54.42 2k1f s LYS 5 Cb 0.00 -2.89 -0.01 0.00 -1.46 0.00 0.00 37.83 33.47 2k1f s LYS 5 CO 0.00 0.49 0.37 0.15 0.16 0.00 0.00 175.35 176.52 2k1f s LYS 6 N -2.44 1.80 0.00 4.03 1.02 -1.26 -4.95 119.74 117.95 2k1f s LYS 6 Ca 0.39 -1.86 0.00 0.00 0.02 0.00 0.00 55.97 54.52 2k1f s LYS 6 Cb -0.13 0.38 0.00 0.00 -0.52 0.00 0.00 37.83 37.57 2k1f s LYS 6 CO 0.22 -0.71 0.00 0.41 -0.92 0.00 0.00 175.35 174.36 2k1f n GLY 7 N -0.57 -0.63 0.42 -3.33 0.00 -1.26 -5.06 105.19 94.76 2k1f n GLY 7 Ca 0.04 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.94 2k1f n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k1f n GLY 8 N 0.00 1.65 3.69 -0.02 0.00 -1.26 -5.07 105.19 104.18 2k1f n GLY 8 Ca 0.00 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 2k1f n GLY 8 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k1f s GLU 9 N -1.63 4.45 0.00 1.61 2.12 -1.26 -4.94 118.70 119.04 2k1f s GLU 9 Ca 0.00 1.39 0.00 0.00 0.36 0.00 0.00 54.97 56.72 2k1f s GLU 9 Cb 0.00 -3.53 0.00 0.00 0.26 0.00 0.00 34.13 30.86 2k1f s GLU 9 CO 0.00 -0.26 0.00 2.41 -0.54 0.00 0.00 175.26 176.87 2k1f n THR 10 N 4.43 0.00 -3.14 -1.70 -1.04 -1.26 -5.11 114.28 106.46 2k1f n THR 10 Ca 0.08 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 61.65 2k1f n THR 10 Cb 0.49 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.95 2k1f n THR 10 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2k1f s GLU 11 N 3.95 3.06 0.35 -2.82 2.56 -1.26 -4.98 118.70 119.54 2k1f s GLU 11 Ca 0.00 -1.25 -0.00 0.00 0.00 0.00 0.00 54.97 53.72 2k1f s GLU 11 Cb 0.00 -4.23 0.00 0.00 2.00 0.00 0.00 34.13 31.90 2k1f s GLU 11 CO 0.00 -1.45 0.46 -2.39 -0.56 0.00 0.00 175.26 171.32 2k1f n HIS 12 N 6.22 -1.35 -4.60 5.30 1.44 -1.26 -1.99 115.22 118.98 2k1f n HIS 12 Ca -0.09 -2.40 -0.23 0.00 -2.01 0.00 0.00 57.72 52.99 2k1f n HIS 12 Cb 0.43 0.51 -0.14 0.00 0.12 0.00 0.00 29.99 30.91 2k1f n HIS 12 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 2k1f s ILE 13 N -2.89 1.30 -0.62 0.61 -4.36 0.06 -4.73 121.20 110.57 2k1f s ILE 13 Ca 0.30 -0.89 -0.20 0.00 -0.26 0.00 0.00 60.65 59.60 2k1f s ILE 13 Cb -0.01 -1.12 0.09 0.00 1.25 0.00 0.00 42.46 42.68 2k1f s ILE 13 CO 0.22 0.21 0.79 0.20 0.24 0.00 0.00 174.94 176.60 2k1f s ASN 14 N -0.79 6.19 0.11 4.36 0.01 -1.26 -1.27 114.94 122.29 2k1f s ASN 14 Ca 0.05 -1.31 -0.30 0.00 -0.71 0.00 0.00 52.86 50.59 2k1f s ASN 14 Cb -0.07 -2.34 -0.06 0.00 0.41 0.00 0.00 41.25 39.19 2k1f s ASN 14 CO 0.01 -1.22 1.10 -0.22 -1.51 0.00 0.00 177.10 175.26 2k1f s LEU 15 N 3.11 4.44 -0.39 0.60 2.96 0.02 -2.59 118.68 126.83 2k1f s LEU 15 Ca 0.15 1.98 -0.20 0.00 -0.22 0.00 0.00 54.13 55.84 2k1f s LEU 15 Cb -0.22 -3.59 0.01 0.00 0.50 0.00 0.00 46.19 42.90 2k1f s LEU 15 CO 0.07 -0.29 0.62 -0.54 -1.32 0.00 0.00 176.35 174.89 2k1f s LYS 16 N 0.31 3.50 -0.31 1.98 -0.14 -0.12 -2.81 119.74 122.14 2k1f s LYS 16 Ca 0.52 -0.17 -0.05 0.00 -1.36 0.00 0.00 55.97 54.92 2k1f s LYS 16 Cb -0.28 -3.87 0.03 0.00 -1.68 0.00 0.00 37.83 32.03 2k1f s LYS 16 CO 0.32 -0.84 0.06 0.08 -0.76 0.00 0.00 175.35 174.21 2k1f s VAL 17 N 2.70 3.60 -0.27 3.17 1.01 -0.04 -0.78 120.40 129.78 2k1f s VAL 17 Ca 0.23 -1.02 -0.10 0.00 0.00 0.00 0.00 61.98 61.09 2k1f s VAL 17 Cb -0.14 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 2k1f s VAL 17 CO 0.16 -0.04 0.15 -0.76 0.00 0.00 0.00 175.10 174.61 2k1f s LEU 18 N 1.40 3.82 0.04 3.92 1.02 -0.72 -1.46 118.68 126.69 2k1f s LEU 18 Ca -0.01 -0.10 0.01 0.00 0.02 0.00 0.00 54.13 54.05 2k1f s LEU 18 Cb -0.18 -2.04 -0.04 0.00 0.02 0.00 0.00 46.19 43.94 2k1f s LEU 18 CO 0.01 -0.05 0.12 -0.83 0.02 0.00 0.00 176.35 175.62 2k1f s GLY 19 N 1.70 2.07 0.33 -3.19 0.00 0.82 -0.43 107.32 108.62 2k1f s GLY 19 Ca 0.07 -0.90 0.26 0.00 0.00 0.00 0.00 44.72 44.15 2k1f s GLY 19 CO 0.08 -0.83 1.78 -1.61 0.00 0.00 0.00 173.10 172.52 2k1f h GLN 20 N 3.61 0.00 -0.66 2.90 5.75 -1.78 -1.68 115.11 123.25 2k1f h GLN 20 Ca -0.47 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.03 2k1f h GLN 20 Cb 1.17 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.72 2k1f h GLN 20 CO 0.67 0.00 0.00 -0.40 -2.65 0.00 0.00 178.83 176.45 2k1f n ASP 21 N -2.45 3.49 -0.12 -0.69 5.75 -1.26 -4.83 116.55 116.43 2k1f n ASP 21 Ca 0.02 -2.41 -0.02 0.00 -0.01 0.00 0.00 54.79 52.38 2k1f n ASP 21 Cb 0.27 -0.53 -0.01 0.00 -1.03 0.00 0.00 41.12 39.83 2k1f n ASP 21 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2k1f n ASN 22 N 0.52 -3.33 -4.75 -1.12 4.05 -0.63 -5.04 115.26 104.95 2k1f n ASN 22 Ca 0.17 0.04 -0.40 0.00 0.45 0.00 0.00 54.58 54.83 2k1f n ASN 22 Cb 0.70 -0.97 -0.06 0.00 1.23 0.00 0.00 39.78 40.68 2k1f n ASN 22 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2k1f s ALA 23 N -2.01 3.33 -0.24 5.20 0.00 -1.20 -4.89 121.76 121.95 2k1f s ALA 23 Ca 0.00 0.62 0.02 0.00 0.00 0.00 0.00 51.96 52.60 2k1f s ALA 23 Cb 0.00 -3.22 0.05 0.00 0.00 0.00 0.00 23.12 19.96 2k1f s ALA 23 CO 0.00 0.19 -0.10 0.08 0.00 0.00 0.00 175.76 175.93 2k1f s VAL 24 N -1.08 1.87 0.31 0.00 1.01 -1.26 -0.12 120.40 121.13 2k1f s VAL 24 Ca 0.42 -1.35 0.04 0.00 0.00 0.00 0.00 61.98 61.08 2k1f s VAL 24 Cb -0.26 -2.00 -0.06 0.00 0.00 0.00 0.00 36.38 34.06 2k1f s VAL 24 CO 0.32 0.02 0.05 0.68 0.00 0.00 0.00 175.10 176.17 2k1f s VAL 25 N 1.26 1.15 -0.15 2.92 -7.23 -0.54 -5.01 120.40 112.80 2k1f s VAL 25 Ca -0.06 -2.01 -0.24 0.00 -1.81 0.00 0.00 61.98 57.87 2k1f s VAL 25 Cb -0.19 -2.75 0.06 0.00 0.56 0.00 0.00 36.38 34.06 2k1f s VAL 25 CO -0.06 -0.03 0.60 0.00 -0.31 0.00 0.00 175.10 175.29 2k1f s GLN 26 N -3.90 0.82 0.03 4.82 -2.07 -1.26 -0.86 119.66 117.24 2k1f s GLN 26 Ca 0.36 0.54 -0.01 0.00 -1.82 0.00 0.00 55.36 54.42 2k1f s GLN 26 Cb 0.08 0.39 -0.03 0.00 -1.09 0.00 0.00 33.01 32.37 2k1f s GLN 26 CO 0.15 -0.17 -0.01 -0.59 -1.32 0.00 0.00 175.29 173.35 2k1f s PHE 27 N -0.35 0.35 -0.24 9.60 -0.12 -1.13 -4.94 117.98 121.14 2k1f s PHE 27 Ca -0.05 -0.73 -0.09 0.00 -0.05 0.00 0.00 56.93 56.01 2k1f s PHE 27 Cb -0.03 -0.26 -0.04 0.00 -0.63 0.00 0.00 43.02 42.06 2k1f s PHE 27 CO 0.04 -0.29 0.13 0.21 -0.05 0.00 0.00 175.22 175.26 2k1f s LYS 28 N -2.60 3.94 -0.01 1.99 2.20 -1.26 -0.80 119.74 123.19 2k1f s LYS 28 Ca -0.05 -0.34 0.05 0.00 -0.36 0.00 0.00 55.97 55.27 2k1f s LYS 28 Cb -0.02 -3.47 -0.01 0.00 -1.51 0.00 0.00 37.83 32.82 2k1f s LYS 28 CO -0.05 -0.02 -0.18 -1.50 -0.36 0.00 0.00 175.35 173.25 2k1f s ILE 29 N 1.24 1.39 0.47 5.43 2.07 -0.39 -4.99 121.20 126.41 2k1f s ILE 29 Ca 0.06 -0.75 -0.24 0.00 -1.41 0.00 0.00 60.65 58.32 2k1f s ILE 29 Cb -0.14 -1.15 -0.07 0.00 0.13 0.00 0.00 42.46 41.22 2k1f s ILE 29 CO 0.05 0.39 1.34 -0.54 -1.91 0.00 0.00 174.94 174.28 2k1f s LYS 30 N -0.40 3.58 0.32 3.50 -0.14 -1.26 -0.77 119.74 124.57 2k1f s LYS 30 Ca 0.06 2.22 0.05 0.00 -1.36 0.00 0.00 55.97 56.95 2k1f s LYS 30 Cb -0.07 -2.52 0.54 0.00 -1.68 0.00 0.00 37.83 34.10 2k1f s LYS 30 CO -0.01 -0.83 1.79 0.87 -0.76 0.00 0.00 175.35 176.41 2k1f h LYS 31 N 2.09 0.39 -0.01 1.68 1.57 -1.69 -2.65 116.57 117.95 2k1f h LYS 31 Ca -0.50 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.15 2k1f h LYS 31 Cb 1.27 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2k1f h LYS 31 CO 0.60 0.58 0.00 -2.39 -0.57 0.00 0.00 179.45 177.67 2k1f n HIS 32 N -4.17 0.01 -4.00 -1.35 1.44 -1.26 -3.25 115.22 102.64 2k1f n HIS 32 Ca -0.00 -0.01 -0.34 0.00 -2.01 0.00 0.00 57.72 55.36 2k1f n HIS 32 Cb 0.36 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.40 2k1f n HIS 32 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 2k1f s THR 33 N -1.99 5.15 0.76 0.61 -4.23 -1.00 -4.97 115.64 109.97 2k1f s THR 33 Ca 0.42 -0.14 -0.12 0.00 -1.18 0.00 0.00 61.69 60.68 2k1f s THR 33 Cb 0.21 -3.33 0.05 0.00 1.34 0.00 0.00 72.50 70.76 2k1f s THR 33 CO 0.34 0.44 1.11 -2.16 -0.54 0.00 0.00 174.62 173.81 2k1f s PRO 34 N -1.54 2.40 -0.03 3.99 0.04 -1.26 -4.57 135.00 134.03 2k1f s PRO 34 Ca 0.21 0.45 -0.24 0.00 0.04 0.00 0.00 61.00 61.47 2k1f s PRO 34 Cb -0.12 -1.97 -0.22 0.00 0.04 0.00 0.00 34.50 32.23 2k1f s PRO 34 CO 0.12 -1.35 1.11 -0.07 0.04 0.00 0.00 177.00 176.84 2k1f h LEU 35 N -0.89 0.22 -0.99 -3.56 -0.00 -1.54 -3.39 115.31 105.16 2k1f h LEU 35 Ca -0.46 -0.69 0.25 0.00 -0.00 0.00 0.00 57.88 56.97 2k1f h LEU 35 Cb 1.27 -0.06 -0.19 0.00 -0.00 0.00 0.00 40.66 41.68 2k1f h LEU 35 CO 0.63 0.88 -0.07 -0.09 -0.00 0.00 0.00 178.44 179.79 2k1f h ARG 36 N -0.43 0.00 -0.38 1.13 9.65 -1.43 -1.18 114.38 121.75 2k1f h ARG 36 Ca -0.02 -0.00 0.06 0.00 -1.10 0.00 0.00 59.98 58.93 2k1f h ARG 36 Cb 0.89 -0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 29.41 2k1f h ARG 36 CO 0.04 0.00 0.04 -0.22 2.80 0.00 0.00 179.97 182.63 2k1f h LYS 37 N 0.00 0.15 -0.37 0.20 3.64 -1.88 -1.36 116.57 116.95 2k1f h LYS 37 Ca 0.56 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.83 2k1f h LYS 37 Cb 1.06 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 2k1f h LYS 37 CO -0.96 0.10 -0.13 1.25 -2.27 0.00 0.00 179.45 177.43 2k1f h LEU 38 N 0.15 0.76 0.04 5.20 6.46 -1.48 -1.08 115.31 125.37 2k1f h LEU 38 Ca 0.18 -0.38 0.02 0.00 -0.12 0.00 0.00 57.88 57.58 2k1f h LEU 38 Cb 0.24 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 39.93 2k1f h LEU 38 CO -0.27 0.98 -0.17 0.24 -0.62 0.00 0.00 178.44 178.59 2k1f h MET 39 N 0.55 -0.29 -0.24 1.25 2.86 -1.14 -1.74 114.93 116.17 2k1f h MET 39 Ca 0.09 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.73 2k1f h MET 39 Cb 0.66 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 2k1f h MET 39 CO 0.05 -0.19 0.08 -0.91 1.06 0.00 0.00 176.91 176.99 2k1f h ASN 40 N -0.30 0.35 -1.00 1.22 -0.26 -1.28 -2.66 115.58 111.66 2k1f h ASN 40 Ca 0.04 -0.20 0.06 0.00 -0.56 0.00 0.00 56.30 55.64 2k1f h ASN 40 Cb 0.35 -0.09 -0.06 0.00 -1.06 0.00 0.00 38.32 37.45 2k1f h ASN 40 CO -0.13 0.46 0.65 0.00 -1.06 0.00 0.00 177.43 177.35 2k1f h ALA 41 N 0.90 1.39 -0.23 -0.83 0.00 -1.02 -0.19 119.26 119.29 2k1f h ALA 41 Ca 0.08 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 2k1f h ALA 41 Cb 0.24 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2k1f h ALA 41 CO -0.00 0.47 -0.47 1.88 0.00 0.00 0.00 179.25 181.13 2k1f h TYR 42 N 1.20 0.92 -0.06 0.00 0.05 -1.39 -3.09 116.97 114.59 2k1f h TYR 42 Ca 0.42 -0.33 0.01 0.00 0.05 0.00 0.00 58.73 58.88 2k1f h TYR 42 Cb 0.12 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.68 2k1f h TYR 42 CO -0.00 1.12 0.00 0.00 -1.05 0.00 0.00 178.16 178.23 2k1f h ASP 44 N 0.03 0.41 -0.03 0.00 5.19 -1.18 0.13 116.42 120.97 2k1f h ASP 44 Ca 0.03 -0.01 -0.05 0.00 -0.62 0.00 0.00 57.03 56.39 2k1f h ASP 44 Cb 0.03 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.45 2k1f h ASP 44 CO -0.05 0.29 -0.16 0.03 -3.12 0.00 0.00 179.24 176.23 2k1f h ARG 45 N 0.48 0.16 -0.51 3.56 3.08 -1.40 -3.30 114.38 116.46 2k1f h ARG 45 Ca 0.17 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 2k1f h ARG 45 Cb 0.10 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 2k1f h ARG 45 CO -0.04 0.80 0.26 0.00 -1.07 0.00 0.00 179.97 179.92 2k1f h ALA 46 N 0.36 1.51 0.00 0.04 0.00 -0.69 -3.47 119.26 117.01 2k1f h ALA 46 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2k1f h ALA 46 Cb 0.84 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2k1f h ALA 46 CO 0.03 0.40 0.00 0.41 0.00 0.00 0.00 179.25 180.10 2k1f n GLY 47 N -1.26 0.72 3.50 0.00 0.00 0.45 -4.91 105.19 103.68 2k1f n GLY 47 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 2k1f n GLY 47 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2k1f n LEU 48 N 0.00 0.00 -4.30 0.99 -0.00 -1.22 -5.02 117.00 107.45 2k1f n LEU 48 Ca 0.00 -1.31 -0.36 0.00 -0.00 0.00 0.00 56.01 54.33 2k1f n LEU 48 Cb 0.00 -0.93 -0.13 0.00 -0.00 0.00 0.00 43.42 42.36 2k1f n LEU 48 CO 0.00 -1.43 -0.31 -0.44 -0.00 0.00 0.00 177.39 175.21 2k1f s SER 49 N -5.34 4.92 0.26 1.45 0.01 -1.26 -4.87 113.70 108.87 2k1f s SER 49 Ca 0.69 -0.78 -0.05 0.00 1.31 0.00 0.00 55.95 57.12 2k1f s SER 49 Cb -0.02 -1.82 0.31 0.00 0.21 0.00 0.00 66.02 64.69 2k1f s SER 49 CO 0.49 -0.18 1.94 -0.03 0.41 0.00 0.00 173.24 175.86 2k1f h MET 50 N 8.17 1.27 -0.17 12.44 4.05 -1.97 -3.23 114.93 135.50 2k1f h MET 50 Ca -0.31 -0.08 0.04 0.00 -0.28 0.00 0.00 59.70 59.07 2k1f h MET 50 Cb 1.12 -0.29 -0.01 0.00 -0.80 0.00 0.00 31.60 31.62 2k1f h MET 50 CO 0.59 0.84 0.12 1.96 0.23 0.00 0.00 176.91 180.65 2k1f h GLN 51 N 1.31 0.05 -0.43 0.39 4.20 -2.02 -0.68 115.11 117.93 2k1f h GLN 51 Ca 0.36 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.07 2k1f h GLN 51 Cb -0.14 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.63 2k1f h GLN 51 CO -0.08 0.03 0.00 1.33 -0.67 0.00 0.00 178.83 179.44 2k1f n VAL 52 N -4.50 0.62 -3.94 -0.54 0.24 -1.22 -4.66 118.33 104.33 2k1f n VAL 52 Ca 0.01 -0.55 -0.34 0.00 -2.04 0.00 0.00 64.34 61.42 2k1f n VAL 52 Cb 0.21 0.19 -0.14 0.00 -1.47 0.00 0.00 33.84 32.64 2k1f n VAL 52 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2k1f s VAL 53 N -1.52 2.79 0.18 3.34 1.01 -0.26 -3.13 120.40 122.79 2k1f s VAL 53 Ca 0.27 -1.54 0.04 0.00 0.00 0.00 0.00 61.98 60.75 2k1f s VAL 53 Cb 0.15 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 2k1f s VAL 53 CO 0.17 -0.16 0.21 -0.13 0.00 0.00 0.00 175.10 175.19 2k1f s ARG 54 N 1.19 3.11 -0.06 2.72 1.81 -0.19 -4.91 118.95 122.61 2k1f s ARG 54 Ca -0.04 -0.80 -0.01 0.00 -1.72 0.00 0.00 55.73 53.15 2k1f s ARG 54 Cb -0.20 -2.75 0.03 0.00 -0.45 0.00 0.00 34.95 31.58 2k1f s ARG 54 CO -0.03 0.48 0.01 -0.06 -0.68 0.00 0.00 175.30 175.03 2k1f s PHE 55 N -1.81 0.54 0.12 -0.53 0.08 -1.26 -0.32 117.98 114.79 2k1f s PHE 55 Ca 0.32 -0.08 0.07 0.00 0.12 0.00 0.00 56.93 57.37 2k1f s PHE 55 Cb -0.10 -0.73 -0.04 0.00 -0.57 0.00 0.00 43.02 41.58 2k1f s PHE 55 CO 0.26 -0.30 -0.09 1.03 -0.10 0.00 0.00 175.22 176.02 2k1f s ARG 56 N 2.00 2.15 -0.29 0.44 3.00 -1.13 -2.90 118.95 122.22 2k1f s ARG 56 Ca 0.05 -1.07 -0.01 0.00 0.00 0.00 0.00 55.73 54.70 2k1f s ARG 56 Cb -0.12 -2.29 0.09 0.00 0.00 0.00 0.00 34.95 32.63 2k1f s ARG 56 CO -0.05 0.49 0.08 0.12 0.00 0.00 0.00 175.30 175.94 2k1f s PHE 57 N -1.35 1.74 -0.71 -0.53 5.36 0.36 -2.55 117.98 120.31 2k1f s PHE 57 Ca 0.23 -1.67 -0.04 0.00 -0.96 0.00 0.00 56.93 54.49 2k1f s PHE 57 Cb -0.11 -1.66 0.01 0.00 -0.34 0.00 0.00 43.02 40.92 2k1f s PHE 57 CO 0.15 -0.84 0.66 -3.47 -1.46 0.00 0.00 175.22 170.26 2k1f n ASP 58 N 4.84 -7.06 0.00 6.13 2.03 -1.26 -3.60 116.55 117.63 2k1f n ASP 58 Ca -0.03 -0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.07 2k1f n ASP 58 Cb 0.43 -4.34 0.00 0.00 -0.72 0.00 0.00 41.12 36.49 2k1f n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k1f n GLY 59 N -1.49 1.31 3.82 0.27 0.00 -1.26 -4.94 105.19 102.91 2k1f n GLY 59 Ca -0.06 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 2k1f n GLY 59 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k1f s GLN 60 N 0.00 3.62 0.53 1.61 -1.52 -1.24 -4.96 119.66 117.70 2k1f s GLN 60 Ca 0.00 1.06 -0.20 0.00 -1.95 0.00 0.00 55.36 54.27 2k1f s GLN 60 Cb 0.00 -2.08 -0.06 0.00 -0.22 0.00 0.00 33.01 30.65 2k1f s GLN 60 CO 0.00 -0.55 1.16 -1.25 -0.25 0.00 0.00 175.29 174.40 2k1f s PRO 61 N -4.14 3.39 0.22 2.91 0.04 -1.26 -0.49 135.00 135.68 2k1f s PRO 61 Ca 0.61 1.72 -0.21 0.00 0.04 0.00 0.00 61.00 63.16 2k1f s PRO 61 Cb -0.13 -2.11 -0.08 0.00 0.04 0.00 0.00 34.50 32.22 2k1f s PRO 61 CO 0.35 -0.84 0.75 -1.50 0.04 0.00 0.00 177.00 175.80 2k1f s ILE 62 N -1.66 4.52 0.08 0.56 2.07 -1.14 -4.68 121.20 120.96 2k1f s ILE 62 Ca 0.71 1.36 -0.20 0.00 -1.41 0.00 0.00 60.65 61.11 2k1f s ILE 62 Cb -0.27 -3.89 -0.07 0.00 0.13 0.00 0.00 42.46 38.36 2k1f s ILE 62 CO 0.31 0.23 0.59 0.21 -1.91 0.00 0.00 174.94 174.37 2k1f s ASN 63 N -1.60 7.10 0.04 4.50 3.84 -1.26 -4.99 114.94 122.56 2k1f s ASN 63 Ca 0.43 1.30 0.21 0.00 0.21 0.00 0.00 52.86 55.01 2k1f s ASN 63 Cb -0.17 -2.37 -0.20 0.00 -0.55 0.00 0.00 41.25 37.95 2k1f s ASN 63 CO 0.22 0.27 0.67 -0.62 -2.79 0.00 0.00 177.10 174.84 2k1f n GLU 64 N 1.69 0.64 0.08 0.43 1.02 -1.26 -4.49 120.64 118.76 2k1f n GLU 64 Ca -0.10 -0.03 -0.21 0.00 -0.02 0.00 0.00 57.16 56.80 2k1f n GLU 64 Cb 0.51 -1.65 -0.15 0.00 -0.02 0.00 0.00 31.44 30.12 2k1f n GLU 64 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 2k1f h ASN 65 N 0.00 0.59 -4.03 1.62 -1.24 -1.97 -0.54 115.58 110.01 2k1f h ASN 65 Ca -0.07 -0.80 -0.45 0.00 0.71 0.00 0.00 56.30 55.69 2k1f h ASN 65 Cb 1.18 -0.19 0.15 0.00 0.73 0.00 0.00 38.32 40.19 2k1f h ASN 65 CO 0.01 1.66 0.26 -1.81 -1.29 0.00 0.00 177.43 176.26 2k1f s ASP 66 N -7.25 2.87 0.19 1.15 1.11 -1.26 -4.62 116.67 108.86 2k1f s ASP 66 Ca -0.12 0.90 0.05 0.00 0.18 0.00 0.00 52.55 53.56 2k1f s ASP 66 Cb 0.06 -1.41 -0.04 0.00 1.07 0.00 0.00 42.92 42.60 2k1f s ASP 66 CO 0.87 -2.94 0.18 0.42 1.18 0.00 0.00 175.17 174.88 2k1f s THR 67 N -3.22 4.62 -1.31 -1.27 -4.23 -1.26 -3.36 115.64 105.60 2k1f s THR 67 Ca 0.66 -1.11 0.20 0.00 -1.18 0.00 0.00 61.69 60.26 2k1f s THR 67 Cb -0.14 -3.40 0.29 0.00 1.34 0.00 0.00 72.50 70.59 2k1f s THR 67 CO 0.55 -0.18 1.61 -0.81 -0.54 0.00 0.00 174.62 175.25 2k1f n PRO 68 N -0.63 0.20 0.04 3.99 -0.04 -1.24 -1.86 135.00 135.46 2k1f n PRO 68 Ca -0.08 0.12 -0.09 0.00 -0.04 0.00 0.00 63.50 63.41 2k1f n PRO 68 Cb 0.55 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.57 2k1f n PRO 68 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2k1f h THR 69 N 0.00 1.35 0.00 0.52 1.35 -1.90 -0.87 112.91 113.36 2k1f h THR 69 Ca 0.00 -1.94 0.00 0.00 -0.55 0.00 0.00 66.41 63.92 2k1f h THR 69 Cb 0.22 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 2k1f h THR 69 CO 0.00 0.59 0.00 0.28 -0.25 0.00 0.00 175.52 176.14 2k1f h SER 70 N 0.33 0.00 -0.21 5.36 0.02 -1.70 -2.16 113.55 115.19 2k1f h SER 70 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2k1f h SER 70 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2k1f h SER 70 CO 0.11 0.00 0.00 -0.11 -1.14 0.00 0.00 176.83 175.69 2k1f n LEU 71 N -2.69 2.51 -2.07 5.07 7.94 -1.23 -5.03 117.00 121.50 2k1f n LEU 71 Ca 0.01 -1.86 -0.06 0.00 -1.11 0.00 0.00 56.01 52.99 2k1f n LEU 71 Cb 0.28 -0.14 0.00 0.00 0.53 0.00 0.00 43.42 44.09 2k1f n LEU 71 CO 0.24 0.62 -0.05 -0.62 -1.11 0.00 0.00 177.39 176.46 2k1f n GLU 72 N 0.24 -0.34 -3.28 1.96 1.02 -0.81 -5.00 120.64 114.42 2k1f n GLU 72 Ca 0.08 0.22 -0.19 0.00 -0.02 0.00 0.00 57.16 57.24 2k1f n GLU 72 Cb 0.35 -0.41 0.00 0.00 -0.02 0.00 0.00 31.44 31.36 2k1f n GLU 72 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2k1f s MET 73 N -1.44 3.02 0.00 3.49 -1.94 -0.36 -5.02 119.30 117.04 2k1f s MET 73 Ca 0.04 -0.99 0.00 0.00 -1.71 0.00 0.00 55.69 53.03 2k1f s MET 73 Cb -0.00 -2.76 0.00 0.00 2.01 0.00 0.00 34.83 34.07 2k1f s MET 73 CO 0.17 -0.08 0.00 -1.91 -0.01 0.00 0.00 175.02 173.19 2k1f n GLU 74 N -1.77 0.00 0.00 2.03 2.13 -1.26 -4.90 120.64 116.87 2k1f n GLU 74 Ca 0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 2k1f n GLU 74 Cb 0.58 -0.42 0.00 0.00 0.27 0.00 0.00 31.44 31.87 2k1f n GLU 74 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2k1f n GLU 75 N -2.47 0.00 -1.48 5.31 4.07 -1.26 -4.84 120.64 119.97 2k1f n GLU 75 Ca 0.00 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 57.03 2k1f n GLU 75 Cb 0.00 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.36 2k1f n GLU 75 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2k1f n GLY 76 N -0.30 0.67 3.75 8.31 0.00 -1.07 -4.97 105.19 111.58 2k1f n GLY 76 Ca 0.00 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.91 2k1f n GLY 76 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k1f s ASP 77 N -2.86 7.03 -0.28 1.61 1.01 -1.26 -4.39 116.67 117.53 2k1f s ASP 77 Ca 0.00 2.38 -0.17 0.00 0.71 0.00 0.00 52.55 55.47 2k1f s ASP 77 Cb 0.00 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.28 2k1f s ASP 77 CO 0.00 -0.38 0.47 0.42 0.21 0.00 0.00 175.17 175.89 2k1f s THR 78 N -0.57 5.09 -0.02 -1.27 -4.23 -1.26 -0.94 115.64 112.44 2k1f s THR 78 Ca 0.50 0.65 0.03 0.00 -1.18 0.00 0.00 61.69 61.70 2k1f s THR 78 Cb -0.35 -3.82 -0.03 0.00 1.34 0.00 0.00 72.50 69.64 2k1f s THR 78 CO 0.42 0.04 -0.09 -0.51 -0.54 0.00 0.00 174.62 173.94 2k1f s ILE 79 N 2.25 3.53 0.04 2.99 2.07 0.04 -4.65 121.20 127.46 2k1f s ILE 79 Ca 0.19 -0.73 0.01 0.00 -1.41 0.00 0.00 60.65 58.71 2k1f s ILE 79 Cb -0.16 -2.49 -0.04 0.00 0.13 0.00 0.00 42.46 39.90 2k1f s ILE 79 CO 0.10 0.46 0.10 -1.83 -1.91 0.00 0.00 174.94 171.87 2k1f s GLU 80 N -1.19 3.05 -0.08 3.50 4.04 -1.06 -1.75 118.70 125.21 2k1f s GLU 80 Ca 0.15 -0.57 0.04 0.00 0.04 0.00 0.00 54.97 54.63 2k1f s GLU 80 Cb -0.11 -2.83 0.00 0.00 0.02 0.00 0.00 34.13 31.21 2k1f s GLU 80 CO 0.05 0.61 -0.19 0.08 -1.84 0.00 0.00 175.26 173.97 2k1f s VAL 81 N -1.33 1.63 -0.72 1.83 1.01 0.42 -2.86 120.40 120.39 2k1f s VAL 81 Ca 0.28 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.46 2k1f s VAL 81 Cb -0.12 -1.43 0.18 0.00 0.00 0.00 0.00 36.38 35.01 2k1f s VAL 81 CO 0.20 0.46 0.55 -0.47 0.00 0.00 0.00 175.10 175.84 2k1f s TYR 82 N 0.39 3.57 0.21 5.22 6.14 0.56 -2.41 117.35 131.02 2k1f s TYR 82 Ca -0.14 -2.90 -0.05 0.00 0.64 0.00 0.00 57.07 54.62 2k1f s TYR 82 Cb -0.16 -3.16 -0.06 0.00 0.42 0.00 0.00 41.96 39.01 2k1f s TYR 82 CO 0.06 -0.77 0.46 -0.65 0.64 0.00 0.00 175.55 175.28 2k1f s GLN 83 N -0.63 3.64 -1.26 4.97 1.11 -1.26 -1.03 119.66 125.20 2k1f s GLN 83 Ca 0.21 -0.05 -0.18 0.00 0.01 0.00 0.00 55.36 55.36 2k1f s GLN 83 Cb -0.15 -2.76 -0.00 0.00 -1.01 0.00 0.00 33.01 29.09 2k1f s GLN 83 CO -0.07 0.36 2.01 0.00 0.01 0.00 0.00 175.29 177.60 2k1f n GLN 84 N -0.36 2.56 0.00 2.91 10.64 -1.18 -4.75 117.38 127.19 2k1f n GLN 84 Ca -0.02 -2.63 0.00 0.00 -1.83 0.00 0.00 57.00 52.52 2k1f n GLN 84 Cb 0.53 -3.32 0.00 0.00 -0.86 0.00 0.00 30.24 26.58 2k1f n GLN 84 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 2k1f n GLN 85 N 7.13 0.00 -4.17 2.61 7.27 -1.26 -4.86 117.38 124.10 2k1f n GLN 85 Ca 0.50 0.00 -0.27 0.00 0.07 0.00 0.00 57.00 57.30 2k1f n GLN 85 Cb 0.42 -0.18 -0.07 0.00 2.41 0.00 0.00 30.24 32.81 2k1f n GLN 85 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 2k1f s THR 86 N 0.00 3.93 -0.17 1.69 -1.32 -1.26 -4.59 115.64 113.92 2k1f s THR 86 Ca 0.00 -1.27 0.16 0.00 -1.21 0.00 0.00 61.69 59.36 2k1f s THR 86 Cb 0.00 -2.96 0.32 0.00 -1.51 0.00 0.00 72.50 68.35 2k1f s THR 86 CO 0.00 -0.07 1.21 0.61 -2.21 0.00 0.00 174.62 174.16 2k1f n GLY 87 N -0.04 4.35 0.00 6.08 0.00 -1.26 -4.93 105.19 109.39 2k1f n GLY 87 Ca -0.10 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 44.97 2k1f n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93