#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 -0.98 7.83 3.41 -1.26 -5.00 113.62 117.62 2k1f n SER 2 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2k1f n SER 2 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2k1f n SER 2 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2k1f n ASP 3 N 0.00 0.63 -1.08 4.04 9.92 -1.26 -4.15 116.55 124.65 2k1f n ASP 3 Ca 0.00 -0.43 0.00 0.00 -0.53 0.00 0.00 54.79 53.83 2k1f n ASP 3 Cb 0.00 -0.11 0.00 0.00 -0.64 0.00 0.00 41.12 40.37 2k1f n ASP 3 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2k1f n GLU 4 N 0.88 0.00 -3.42 -1.24 2.13 -1.26 -5.12 120.64 112.60 2k1f n GLU 4 Ca 0.00 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.79 2k1f n GLU 4 Cb 0.11 -1.31 -0.05 0.00 0.27 0.00 0.00 31.44 30.45 2k1f n GLU 4 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 2k1f s LYS 5 N -2.79 0.46 -0.06 5.31 0.00 -1.26 -5.09 119.74 116.31 2k1f s LYS 5 Ca 0.00 0.99 -0.30 0.00 0.00 0.00 0.00 55.97 56.66 2k1f s LYS 5 Cb 0.00 0.31 0.11 0.00 0.00 0.00 0.00 37.83 38.25 2k1f s LYS 5 CO 0.00 -0.45 1.35 -1.59 0.00 0.00 0.00 175.35 174.66 2k1f s LYS 6 N 2.73 0.18 1.15 1.78 0.00 -1.26 0.10 119.74 124.42 2k1f s LYS 6 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 55.97 55.94 2k1f s LYS 6 Cb -0.14 0.05 0.00 0.00 0.00 0.00 0.00 37.83 37.74 2k1f s LYS 6 CO -0.17 -0.08 0.00 0.41 0.00 0.00 0.00 175.35 175.50 2k1f n GLY 7 N -0.83 -0.40 3.79 0.59 0.00 -1.26 -5.02 105.19 102.06 2k1f n GLY 7 Ca 0.01 -1.56 -0.27 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.22 3.49 -0.02 0.00 -1.26 -4.99 105.19 101.19 2k1f n GLY 8 Ca 0.00 0.55 -0.33 0.00 0.00 0.00 0.00 46.02 46.24 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 -5.27 2.81 0.00 1.61 2.56 -1.26 -4.96 118.70 114.19 2k1f s GLU 9 Ca 0.10 -0.64 0.00 0.00 0.00 0.00 0.00 54.97 54.43 2k1f s GLU 9 Cb -0.05 -2.52 0.00 0.00 2.00 0.00 0.00 34.13 33.56 2k1f s GLU 9 CO 0.90 0.54 0.00 -2.37 -0.56 0.00 0.00 175.26 173.77 2k1f n THR 10 N 2.58 0.00 -3.70 -1.70 5.66 -1.26 -5.14 114.28 110.72 2k1f n THR 10 Ca -0.18 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.72 2k1f n THR 10 Cb 0.53 -0.10 -0.11 0.00 -1.55 0.00 0.00 70.33 69.10 2k1f n THR 10 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 2k1f s GLU 11 N -1.96 0.41 0.09 1.09 2.56 -1.26 -5.13 118.70 114.50 2k1f s GLU 11 Ca 0.00 0.78 0.01 0.00 0.00 0.00 0.00 54.97 55.76 2k1f s GLU 11 Cb 0.00 0.01 -0.04 0.00 2.00 0.00 0.00 34.13 36.09 2k1f s GLU 11 CO 0.00 -0.15 -0.04 -3.38 -0.56 0.00 0.00 175.26 171.13 2k1f s HIS 12 N 1.29 0.79 0.08 5.30 -3.43 -1.26 -1.56 115.29 116.50 2k1f s HIS 12 Ca -0.09 -1.00 0.05 0.00 -0.80 0.00 0.00 55.06 53.23 2k1f s HIS 12 Cb -0.08 -0.48 -0.04 0.00 -1.43 0.00 0.00 32.58 30.55 2k1f s HIS 12 CO -0.12 -0.26 -0.03 0.96 -2.00 0.00 0.00 174.74 173.29 2k1f s ILE 13 N -3.75 3.82 -0.07 -5.38 -4.36 0.18 -4.76 121.20 106.88 2k1f s ILE 13 Ca 0.12 -1.04 0.06 0.00 -0.26 0.00 0.00 60.65 59.53 2k1f s ILE 13 Cb 0.06 -2.79 -0.01 0.00 1.25 0.00 0.00 42.46 40.97 2k1f s ILE 13 CO -0.05 0.15 -0.25 0.20 0.24 0.00 0.00 174.94 175.23 2k1f s ASN 14 N -2.19 3.09 0.23 4.36 -0.87 -1.26 -1.87 114.94 116.43 2k1f s ASN 14 Ca 0.24 -0.52 0.09 0.00 -1.57 0.00 0.00 52.86 51.10 2k1f s ASN 14 Cb -0.11 -0.97 -0.05 0.00 -0.02 0.00 0.00 41.25 40.10 2k1f s ASN 14 CO 0.16 0.23 -0.17 -0.76 -2.57 0.00 0.00 177.10 173.98 2k1f s LEU 15 N -0.06 2.55 -0.35 0.60 1.02 0.01 -1.92 118.68 120.54 2k1f s LEU 15 Ca -0.07 -1.00 0.01 0.00 0.02 0.00 0.00 54.13 53.09 2k1f s LEU 15 Cb -0.15 -0.86 0.11 0.00 0.02 0.00 0.00 46.19 45.31 2k1f s LEU 15 CO 0.05 -0.07 0.13 -0.54 0.02 0.00 0.00 176.35 175.94 2k1f s LYS 16 N -3.47 1.02 -0.72 1.70 -0.14 -1.26 -1.82 119.74 115.05 2k1f s LYS 16 Ca 0.24 -1.48 -0.26 0.00 -1.36 0.00 0.00 55.97 53.11 2k1f s LYS 16 Cb -0.03 -2.33 0.04 0.00 -1.68 0.00 0.00 37.83 33.83 2k1f s LYS 16 CO 0.10 -1.02 1.21 0.08 -0.76 0.00 0.00 175.35 174.96 2k1f s VAL 17 N 1.13 3.85 -0.70 3.17 1.01 -0.17 -2.10 120.40 126.59 2k1f s VAL 17 Ca 0.12 0.25 -0.17 0.00 0.00 0.00 0.00 61.98 62.18 2k1f s VAL 17 Cb -0.20 -4.87 0.14 0.00 0.00 0.00 0.00 36.38 31.46 2k1f s VAL 17 CO -0.15 -1.77 0.75 -0.76 0.00 0.00 0.00 175.10 173.17 2k1f s LEU 18 N 5.38 5.86 0.11 3.92 1.43 -0.11 -1.63 118.68 133.63 2k1f s LEU 18 Ca 0.32 -1.93 -0.30 0.00 -1.03 0.00 0.00 54.13 51.19 2k1f s LEU 18 Cb -0.10 -2.28 -0.06 0.00 0.03 0.00 0.00 46.19 43.79 2k1f s LEU 18 CO 0.14 -0.92 1.01 -0.83 0.23 0.00 0.00 176.35 175.99 2k1f s GLY 19 N 3.23 2.91 0.56 -3.19 0.00 -1.06 -0.53 107.32 109.24 2k1f s GLY 19 Ca 0.15 0.65 0.26 0.00 0.00 0.00 0.00 44.72 45.78 2k1f s GLY 19 CO -0.01 1.58 2.20 -1.61 0.00 0.00 0.00 173.10 175.26 2k1f h GLN 20 N 5.70 0.00 0.00 2.90 4.15 -1.06 -0.01 115.11 126.79 2k1f h GLN 20 Ca -0.43 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.99 2k1f h GLN 20 Cb 1.21 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.90 2k1f h GLN 20 CO 0.73 0.02 0.00 -0.40 -1.93 0.00 0.00 178.83 177.25 2k1f n ASP 21 N -3.96 0.00 0.00 -0.69 5.75 -1.26 -4.85 116.55 111.54 2k1f n ASP 21 Ca -0.03 0.48 0.00 0.00 -0.01 0.00 0.00 54.79 55.23 2k1f n ASP 21 Cb 0.11 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.71 2k1f n ASP 21 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2k1f n ASN 22 N -1.49 -0.14 -4.53 -1.12 5.03 -0.02 -5.06 115.26 107.94 2k1f n ASN 22 Ca 0.03 0.00 -0.43 0.00 0.87 0.00 0.00 54.58 55.05 2k1f n ASN 22 Cb 0.12 -0.02 -0.05 0.00 -1.02 0.00 0.00 39.78 38.81 2k1f n ASN 22 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2k1f s ALA 23 N -2.36 3.24 -0.18 5.41 0.00 -1.25 -4.89 121.76 121.73 2k1f s ALA 23 Ca 0.00 -1.15 -0.07 0.00 0.00 0.00 0.00 51.96 50.74 2k1f s ALA 23 Cb 0.00 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 2k1f s ALA 23 CO 0.00 -2.14 0.06 0.08 0.00 0.00 0.00 175.76 173.76 2k1f s VAL 24 N 3.55 4.79 0.03 0.00 1.01 -1.26 -2.55 120.40 125.97 2k1f s VAL 24 Ca 0.29 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.28 2k1f s VAL 24 Cb -0.13 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 2k1f s VAL 24 CO 0.21 0.47 -0.12 0.68 0.00 0.00 0.00 175.10 176.34 2k1f s VAL 25 N 0.29 0.93 -0.25 2.92 -7.23 -0.65 -5.00 120.40 111.42 2k1f s VAL 25 Ca 0.04 -0.85 -0.16 0.00 -1.81 0.00 0.00 61.98 59.19 2k1f s VAL 25 Cb -0.12 -0.85 -0.03 0.00 0.56 0.00 0.00 36.38 35.94 2k1f s VAL 25 CO 0.00 0.00 0.44 -1.58 -0.31 0.00 0.00 175.10 173.65 2k1f s GLN 26 N -0.96 4.09 0.39 4.82 0.74 -1.26 -1.00 119.66 126.47 2k1f s GLN 26 Ca 0.00 0.21 0.08 0.00 0.05 0.00 0.00 55.36 55.70 2k1f s GLN 26 Cb -0.07 -3.62 -0.02 0.00 1.10 0.00 0.00 33.01 30.40 2k1f s GLN 26 CO 0.01 -0.24 0.37 -0.06 -0.55 0.00 0.00 175.29 174.81 2k1f s PHE 27 N 1.95 2.77 -0.13 1.67 0.08 -0.76 -4.95 117.98 118.61 2k1f s PHE 27 Ca 0.19 -0.43 -0.13 0.00 0.12 0.00 0.00 56.93 56.67 2k1f s PHE 27 Cb -0.15 -2.08 0.04 0.00 -0.57 0.00 0.00 43.02 40.25 2k1f s PHE 27 CO 0.09 -0.06 0.37 0.21 -0.10 0.00 0.00 175.22 175.73 2k1f s LYS 28 N -4.11 0.46 0.05 0.44 2.20 -1.26 -0.81 119.74 116.72 2k1f s LYS 28 Ca 0.47 0.44 -0.02 0.00 -0.36 0.00 0.00 55.97 56.49 2k1f s LYS 28 Cb -0.04 0.22 -0.03 0.00 -1.51 0.00 0.00 37.83 36.47 2k1f s LYS 28 CO 0.28 -0.07 -0.00 -1.50 -0.36 0.00 0.00 175.35 173.70 2k1f s ILE 29 N 0.02 0.20 0.39 5.43 2.07 -0.78 -5.01 121.20 123.51 2k1f s ILE 29 Ca -0.02 -1.66 -0.24 0.00 -1.41 0.00 0.00 60.65 57.32 2k1f s ILE 29 Cb -0.03 -1.40 -0.09 0.00 0.13 0.00 0.00 42.46 41.07 2k1f s ILE 29 CO 0.01 -0.92 1.05 -0.75 -1.91 0.00 0.00 174.94 172.42 2k1f s LYS 30 N -3.72 4.20 0.41 3.50 2.47 -1.26 -0.65 119.74 124.69 2k1f s LYS 30 Ca 0.05 1.53 0.19 0.00 -1.56 0.00 0.00 55.97 56.18 2k1f s LYS 30 Cb 0.06 -2.58 0.90 0.00 -1.46 0.00 0.00 37.83 34.76 2k1f s LYS 30 CO -0.09 -0.12 1.86 -0.22 0.16 0.00 0.00 175.35 176.94 2k1f h LYS 31 N 2.58 0.00 0.00 4.03 3.64 -1.58 -2.79 116.57 122.44 2k1f h LYS 31 Ca -0.48 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.88 2k1f h LYS 31 Cb 1.21 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2k1f h LYS 31 CO 0.63 0.30 -0.11 0.45 -2.27 0.00 0.00 179.45 178.45 2k1f h HIS 32 N 0.00 0.00 -3.07 1.91 -0.00 -1.93 -1.20 115.15 110.86 2k1f h HIS 32 Ca -0.00 0.00 -0.67 0.00 -0.00 0.00 0.00 60.37 59.70 2k1f h HIS 32 Cb 0.66 0.00 -0.11 0.00 -0.00 0.00 0.00 27.41 27.96 2k1f h HIS 32 CO 0.00 0.11 -0.57 0.95 -0.00 0.00 0.00 177.93 178.42 2k1f s THR 33 N -3.58 4.77 0.72 2.45 -4.23 -1.06 -4.86 115.64 109.85 2k1f s THR 33 Ca 0.02 -0.14 -0.11 0.00 -1.18 0.00 0.00 61.69 60.28 2k1f s THR 33 Cb 0.09 -3.07 0.02 0.00 1.34 0.00 0.00 72.50 70.88 2k1f s THR 33 CO 0.60 0.55 1.07 -2.16 -0.54 0.00 0.00 174.62 174.15 2k1f s PRO 34 N -1.11 2.77 -0.01 3.99 0.04 -1.26 -4.43 135.00 134.99 2k1f s PRO 34 Ca 0.16 0.86 -0.21 0.00 0.04 0.00 0.00 61.00 61.85 2k1f s PRO 34 Cb -0.12 -1.98 -0.23 0.00 0.04 0.00 0.00 34.50 32.21 2k1f s PRO 34 CO 0.05 -1.19 1.08 -0.07 0.04 0.00 0.00 177.00 176.91 2k1f h LEU 35 N -0.78 0.45 -0.68 -3.56 -0.00 -1.74 -3.40 115.31 105.60 2k1f h LEU 35 Ca -0.45 -0.76 0.11 0.00 -0.00 0.00 0.00 57.88 56.78 2k1f h LEU 35 Cb 1.22 -0.14 -0.12 0.00 -0.00 0.00 0.00 40.66 41.63 2k1f h LEU 35 CO 0.58 1.16 -0.24 -1.14 -0.00 0.00 0.00 178.44 178.79 2k1f n ARG 36 N -4.29 -0.13 -0.22 1.13 0.00 -0.65 -1.10 116.66 111.40 2k1f n ARG 36 Ca -0.10 1.06 -0.07 0.00 -0.00 0.00 0.00 57.85 58.73 2k1f n ARG 36 Cb 0.63 -1.57 0.06 0.00 0.00 0.00 0.00 32.46 31.58 2k1f n ARG 36 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 2k1f h LYS 37 N 0.00 1.07 -0.36 -0.14 1.63 -1.90 -2.28 116.57 114.60 2k1f h LYS 37 Ca 0.26 -0.29 -0.08 0.00 -0.85 0.00 0.00 60.65 59.69 2k1f h LYS 37 Cb 0.43 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.93 2k1f h LYS 37 CO -0.69 0.99 -0.07 1.25 -3.45 0.00 0.00 179.45 177.49 2k1f h LEU 38 N 0.99 0.68 0.04 5.20 5.85 -1.36 -1.35 115.31 125.36 2k1f h LEU 38 Ca 0.19 -0.35 0.02 0.00 0.84 0.00 0.00 57.88 58.58 2k1f h LEU 38 Cb 0.46 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 2k1f h LEU 38 CO 0.02 0.88 -0.19 0.24 -0.34 0.00 0.00 178.44 179.05 2k1f h MET 39 N 0.48 -0.31 -0.83 1.25 2.86 -1.33 -0.88 114.93 116.16 2k1f h MET 39 Ca 0.09 0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.72 2k1f h MET 39 Cb 0.57 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.26 2k1f h MET 39 CO 0.03 -0.21 0.40 -0.97 1.06 0.00 0.00 176.91 177.22 2k1f h ASN 40 N -0.33 1.08 -0.78 1.22 -0.00 -1.41 -2.31 115.58 113.05 2k1f h ASN 40 Ca 0.04 -0.13 0.00 0.00 -0.00 0.00 0.00 56.30 56.22 2k1f h ASN 40 Cb 0.38 -0.28 -0.04 0.00 -0.00 0.00 0.00 38.32 38.38 2k1f h ASN 40 CO -0.15 0.90 0.49 0.00 -0.00 0.00 0.00 177.43 178.68 2k1f h ALA 41 N 1.26 0.99 -0.66 1.57 0.00 -0.93 -0.48 119.26 121.00 2k1f h ALA 41 Ca 0.29 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2k1f h ALA 41 Cb 0.11 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2k1f h ALA 41 CO -0.04 0.44 0.27 1.88 0.00 0.00 0.00 179.25 181.80 2k1f h TYR 42 N 1.06 1.01 -0.19 0.00 0.05 -0.98 -1.28 116.97 116.64 2k1f h TYR 42 Ca 0.28 -0.08 0.04 0.00 0.05 0.00 0.00 58.73 59.02 2k1f h TYR 42 Cb -0.08 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 37.33 2k1f h TYR 42 CO -0.01 0.79 -0.03 0.00 -1.05 0.00 0.00 178.16 177.86 2k1f h ASP 44 N 0.02 -0.67 -0.20 0.00 3.32 -1.02 -0.48 116.42 117.39 2k1f h ASP 44 Ca 0.09 0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.16 2k1f h ASP 44 Cb 0.13 0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 2k1f h ASP 44 CO -0.18 -0.31 -0.15 0.03 -1.72 0.00 0.00 179.24 176.92 2k1f h ARG 45 N -0.38 0.46 0.00 3.56 2.47 -1.16 -3.10 114.38 116.23 2k1f h ARG 45 Ca 0.05 -0.22 -0.05 0.00 -1.26 0.00 0.00 59.98 58.50 2k1f h ARG 45 Cb 0.45 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.76 2k1f h ARG 45 CO -0.19 0.78 -0.25 0.00 0.56 0.00 0.00 179.97 180.87 2k1f h ALA 46 N 0.67 1.02 -0.57 0.04 0.00 -1.13 -3.47 119.26 115.83 2k1f h ALA 46 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2k1f h ALA 46 Cb 0.66 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2k1f h ALA 46 CO 0.04 0.31 0.00 0.41 0.00 0.00 0.00 179.25 180.01 2k1f n GLY 47 N 0.14 0.89 3.50 0.00 0.00 -0.24 -5.08 105.19 104.41 2k1f n GLY 47 Ca -0.00 -0.59 -0.25 0.00 0.00 0.00 0.00 46.02 45.18 2k1f n GLY 47 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2k1f s LEU 48 N -0.57 2.66 0.11 0.99 0.05 -0.87 -5.05 118.68 116.00 2k1f s LEU 48 Ca 0.00 -1.14 0.10 0.00 0.05 0.00 0.00 54.13 53.14 2k1f s LEU 48 Cb 0.00 -0.98 -0.04 0.00 -2.05 0.00 0.00 46.19 43.12 2k1f s LEU 48 CO 0.00 -0.15 -0.27 -0.44 -0.55 0.00 0.00 176.35 174.95 2k1f s SER 49 N -3.55 3.24 0.22 1.48 0.01 -1.26 -4.59 113.70 109.25 2k1f s SER 49 Ca 0.31 -0.70 0.23 0.00 1.31 0.00 0.00 55.95 57.09 2k1f s SER 49 Cb 0.00 -0.23 0.93 0.00 0.21 0.00 0.00 66.02 66.93 2k1f s SER 49 CO 0.15 0.20 1.69 0.80 0.41 0.00 0.00 173.24 176.48 2k1f n MET 50 N 1.15 0.17 0.01 12.44 1.56 -1.26 -2.92 117.12 128.27 2k1f n MET 50 Ca -0.18 0.39 -0.14 0.00 -0.27 0.00 0.00 57.70 57.50 2k1f n MET 50 Cb 0.53 -1.82 -0.08 0.00 2.15 0.00 0.00 33.22 33.99 2k1f n MET 50 CO 0.00 0.00 0.00 1.96 -0.73 0.00 0.00 175.97 177.20 2k1f h GLN 51 N 0.00 -0.55 0.00 2.12 1.08 -1.96 -3.24 115.11 112.57 2k1f h GLN 51 Ca 0.00 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 2k1f h GLN 51 Cb 0.37 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 2k1f h GLN 51 CO 0.00 -0.37 -0.45 1.33 -0.95 0.00 0.00 178.83 178.40 2k1f n VAL 52 N -5.44 0.13 -3.55 -0.54 0.24 -1.15 -4.59 118.33 103.43 2k1f n VAL 52 Ca -0.06 -0.10 -0.41 0.00 -2.04 0.00 0.00 64.34 61.73 2k1f n VAL 52 Cb 0.38 -0.02 -0.09 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 -3.06 4.41 -0.36 3.34 1.01 -1.22 -1.50 120.40 123.01 2k1f s VAL 53 Ca 0.10 -1.44 -0.23 0.00 0.00 0.00 0.00 61.98 60.40 2k1f s VAL 53 Cb 0.16 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.81 2k1f s VAL 53 CO 0.68 -0.59 0.79 -0.13 0.00 0.00 0.00 175.10 175.84 2k1f s ARG 54 N 1.45 3.77 -0.10 2.72 1.81 -1.19 -4.83 118.95 122.57 2k1f s ARG 54 Ca 0.04 0.33 -0.10 0.00 -1.72 0.00 0.00 55.73 54.28 2k1f s ARG 54 Cb -0.24 -3.80 -0.05 0.00 -0.45 0.00 0.00 34.95 30.41 2k1f s ARG 54 CO 0.02 -0.84 0.23 -0.59 -0.68 0.00 0.00 175.30 173.44 2k1f s PHE 55 N 3.10 3.59 -0.02 -0.53 -0.71 -1.26 -0.79 117.98 121.36 2k1f s PHE 55 Ca 0.32 0.64 -0.02 0.00 -1.04 0.00 0.00 56.93 56.83 2k1f s PHE 55 Cb -0.13 -2.11 0.01 0.00 -1.21 0.00 0.00 43.02 39.57 2k1f s PHE 55 CO 0.17 0.59 0.06 1.03 -1.34 0.00 0.00 175.22 175.73 2k1f s ARG 56 N -0.68 0.08 -0.01 1.99 0.52 -0.36 -4.75 118.95 115.75 2k1f s ARG 56 Ca 0.17 0.07 0.05 0.00 -0.52 0.00 0.00 55.73 55.50 2k1f s ARG 56 Cb -0.13 0.04 -0.01 0.00 0.52 0.00 0.00 34.95 35.36 2k1f s ARG 56 CO 0.06 -0.01 -0.16 0.12 0.02 0.00 0.00 175.30 175.33 2k1f s PHE 57 N -0.00 1.40 -1.35 -0.53 5.36 0.18 -1.39 117.98 121.65 2k1f s PHE 57 Ca -0.00 -0.28 -0.04 0.00 -0.96 0.00 0.00 56.93 55.65 2k1f s PHE 57 Cb -0.01 -0.89 0.02 0.00 -0.34 0.00 0.00 43.02 41.80 2k1f s PHE 57 CO 0.00 -0.01 0.31 -3.47 -1.46 0.00 0.00 175.22 170.59 2k1f n ASP 58 N 2.59 -4.69 0.00 6.13 2.03 -1.26 -0.59 116.55 120.76 2k1f n ASP 58 Ca -0.15 -0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.03 2k1f n ASP 58 Cb 0.55 -3.88 0.00 0.00 -0.72 0.00 0.00 41.12 37.06 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 -1.13 2.89 3.70 0.27 0.00 -1.26 -5.00 105.19 104.65 2k1f n GLY 59 Ca -0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.13 2.11 -0.24 1.61 -0.21 0.24 -4.92 119.66 118.11 2k1f s GLN 60 Ca 0.00 -2.04 -0.29 0.00 0.02 0.00 0.00 55.36 53.05 2k1f s GLN 60 Cb 0.00 -1.78 -0.02 0.00 1.00 0.00 0.00 33.01 32.21 2k1f s GLN 60 CO 0.00 -0.14 1.54 -1.25 -2.12 0.00 0.00 175.29 173.32 2k1f s PRO 61 N -3.83 3.83 0.35 2.91 0.04 -1.26 -0.65 135.00 136.39 2k1f s PRO 61 Ca 0.34 1.57 -0.10 0.00 0.04 0.00 0.00 61.00 62.84 2k1f s PRO 61 Cb 0.06 -4.00 -0.07 0.00 0.04 0.00 0.00 34.50 30.54 2k1f s PRO 61 CO 0.18 -1.25 0.71 -1.50 0.04 0.00 0.00 177.00 175.18 2k1f s ILE 62 N 5.00 4.82 -0.06 0.56 2.07 -1.26 -4.95 121.20 127.37 2k1f s ILE 62 Ca 0.68 0.57 -0.14 0.00 -1.41 0.00 0.00 60.65 60.36 2k1f s ILE 62 Cb -0.23 -3.70 -0.05 0.00 0.13 0.00 0.00 42.46 38.61 2k1f s ILE 62 CO 0.28 -0.38 0.35 0.20 -1.91 0.00 0.00 174.94 173.47 2k1f s ASN 63 N -2.91 6.65 0.00 4.50 0.01 -1.26 -5.00 114.94 116.93 2k1f s ASN 63 Ca 0.50 0.78 0.27 0.00 -0.71 0.00 0.00 52.86 53.70 2k1f s ASN 63 Cb -0.10 -2.21 1.43 0.00 0.41 0.00 0.00 41.25 40.78 2k1f s ASN 63 CO 0.27 0.27 1.94 -1.84 -1.51 0.00 0.00 177.10 176.23 2k1f n GLU 64 N 2.35 0.49 -0.09 -0.60 0.28 -1.26 -4.24 120.64 117.57 2k1f n GLU 64 Ca -0.14 0.02 0.04 0.00 -0.16 0.00 0.00 57.16 56.92 2k1f n GLU 64 Cb 0.53 -1.50 0.08 0.00 1.43 0.00 0.00 31.44 31.98 2k1f n GLU 64 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 2k1f n ASN 65 N -1.22 2.43 -1.81 -1.84 0.23 -1.26 -1.64 115.26 110.15 2k1f n ASN 65 Ca 0.15 -2.23 0.00 0.00 -0.53 0.00 0.00 54.58 51.96 2k1f n ASN 65 Cb 0.19 -0.16 0.00 0.00 -2.08 0.00 0.00 39.78 37.73 2k1f n ASN 65 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2k1f n ASP 66 N -0.37 0.00 -3.74 0.53 9.92 -1.26 -4.98 116.55 116.66 2k1f n ASP 66 Ca 0.07 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.20 2k1f n ASP 66 Cb 0.40 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.78 2k1f n ASP 66 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2k1f s THR 67 N 1.09 0.00 0.39 -3.53 2.01 -1.26 -4.24 115.64 110.10 2k1f s THR 67 Ca 0.00 -0.00 0.25 0.00 0.31 0.00 0.00 61.69 62.24 2k1f s THR 67 Cb 0.00 -0.55 0.26 0.00 0.01 0.00 0.00 72.50 72.22 2k1f s THR 67 CO 0.00 -0.00 2.03 1.55 -0.69 0.00 0.00 174.62 177.50 2k1f h PRO 68 N 5.51 0.00 0.00 4.92 0.13 -1.77 0.64 132.00 141.43 2k1f h PRO 68 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2k1f h PRO 68 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2k1f h PRO 68 CO 0.26 0.15 0.00 -2.37 -0.23 0.00 0.00 178.00 175.81 2k1f n THR 69 N -3.72 0.20 0.02 1.56 5.66 -0.45 -1.23 114.28 116.32 2k1f n THR 69 Ca -0.02 0.05 -0.20 0.00 -3.05 0.00 0.00 64.05 60.83 2k1f n THR 69 Cb 0.27 -0.61 -0.14 0.00 -1.55 0.00 0.00 70.33 68.30 2k1f n THR 69 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2k1f h SER 70 N 0.00 0.38 0.61 1.09 0.02 -1.18 -3.36 113.55 111.11 2k1f h SER 70 Ca 0.00 -0.89 -0.16 0.00 -0.84 0.00 0.00 61.79 59.89 2k1f h SER 70 Cb 0.40 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 2k1f h SER 70 CO 0.00 1.47 -0.75 0.25 -1.14 0.00 0.00 176.83 176.66 2k1f h LEU 71 N -0.41 0.13 0.00 5.07 5.85 -1.46 -3.48 115.31 121.01 2k1f h LEU 71 Ca -0.21 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.42 2k1f h LEU 71 Cb 1.64 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.63 2k1f h LEU 71 CO 0.09 0.82 0.00 -0.62 -0.34 0.00 0.00 178.44 178.39 2k1f n GLU 72 N -3.71 0.00 -3.73 1.25 1.02 -0.36 -4.80 120.64 110.30 2k1f n GLU 72 Ca -0.02 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.74 2k1f n GLU 72 Cb 0.72 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 32.02 2k1f n GLU 72 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 2k1f s MET 73 N 0.00 2.37 0.00 3.49 1.75 -1.26 -4.85 119.30 120.80 2k1f s MET 73 Ca 0.00 -1.52 0.00 0.00 -1.25 0.00 0.00 55.69 52.92 2k1f s MET 73 Cb 0.00 -3.57 0.00 0.00 2.84 0.00 0.00 34.83 34.10 2k1f s MET 73 CO 0.00 -0.91 0.00 -1.91 -0.65 0.00 0.00 175.02 171.55 2k1f n GLU 74 N 4.74 3.21 -1.88 4.11 2.13 -1.26 -5.08 120.64 126.61 2k1f n GLU 74 Ca -0.08 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.32 2k1f n GLU 74 Cb 0.43 -0.43 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 2k1f n GLU 74 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 2k1f s GLU 75 N -0.52 4.18 0.00 5.31 1.03 -1.26 -4.01 118.70 123.43 2k1f s GLU 75 Ca 0.00 2.46 0.00 0.00 0.03 0.00 0.00 54.97 57.46 2k1f s GLU 75 Cb 0.00 -3.06 0.00 0.00 -0.80 0.00 0.00 34.13 30.27 2k1f s GLU 75 CO 0.00 -0.54 0.00 0.41 -1.33 0.00 0.00 175.26 173.80 2k1f n GLY 76 N 2.10 0.63 3.65 -3.83 0.00 -0.81 -4.94 105.19 101.99 2k1f n GLY 76 Ca 0.07 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 2k1f n GLY 76 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k1f s ASP 77 N -2.04 2.54 -0.40 1.61 2.15 -1.19 -5.00 116.67 114.33 2k1f s ASP 77 Ca 0.00 1.41 0.10 0.00 0.43 0.00 0.00 52.55 54.49 2k1f s ASP 77 Cb 0.00 -2.09 0.35 0.00 -0.30 0.00 0.00 42.92 40.88 2k1f s ASP 77 CO 0.00 -3.22 0.92 0.35 -0.17 0.00 0.00 175.17 173.05 2k1f n THR 78 N -4.25 -0.01 -2.53 1.71 -2.24 -1.26 -4.02 114.28 101.67 2k1f n THR 78 Ca 0.06 -3.23 -0.43 0.00 -2.27 0.00 0.00 64.05 58.17 2k1f n THR 78 Cb 0.56 0.49 -0.02 0.00 -2.10 0.00 0.00 70.33 69.25 2k1f n THR 78 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2k1f s ILE 79 N -1.41 4.46 -0.01 2.28 2.07 -0.89 -4.77 121.20 122.93 2k1f s ILE 79 Ca 0.32 1.76 -0.22 0.00 -1.41 0.00 0.00 60.65 61.10 2k1f s ILE 79 Cb 0.34 -4.14 -0.05 0.00 0.13 0.00 0.00 42.46 38.74 2k1f s ILE 79 CO -0.06 -0.13 0.64 -1.83 -1.91 0.00 0.00 174.94 171.65 2k1f s GLU 80 N 3.15 4.37 -0.12 3.50 -1.05 -0.49 -0.93 118.70 127.13 2k1f s GLU 80 Ca 0.50 0.81 0.02 0.00 -0.15 0.00 0.00 54.97 56.15 2k1f s GLU 80 Cb -0.19 -3.37 0.01 0.00 -0.44 0.00 0.00 34.13 30.14 2k1f s GLU 80 CO 0.12 0.29 -0.18 0.08 0.95 0.00 0.00 175.26 176.53 2k1f s VAL 81 N 0.04 1.71 0.22 1.83 1.01 0.31 -1.22 120.40 124.30 2k1f s VAL 81 Ca 0.33 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 2k1f s VAL 81 Cb -0.18 -1.54 -0.05 0.00 0.00 0.00 0.00 36.38 34.61 2k1f s VAL 81 CO 0.18 0.48 0.43 -0.31 0.00 0.00 0.00 175.10 175.89 2k1f s TYR 82 N 0.96 3.48 -0.27 5.22 1.51 0.03 -0.42 117.35 127.85 2k1f s TYR 82 Ca -0.06 0.44 -0.05 0.00 -1.01 0.00 0.00 57.07 56.39 2k1f s TYR 82 Cb -0.15 -1.93 0.01 0.00 -0.11 0.00 0.00 41.96 39.78 2k1f s TYR 82 CO -0.02 0.33 0.02 -0.65 -1.11 0.00 0.00 175.55 174.11 2k1f s GLN 83 N -3.34 3.10 -0.28 -0.62 -1.52 -1.26 -3.15 119.66 112.59 2k1f s GLN 83 Ca 0.40 -0.83 0.01 0.00 -1.95 0.00 0.00 55.36 52.99 2k1f s GLN 83 Cb -0.11 -3.20 0.15 0.00 -0.22 0.00 0.00 33.01 29.64 2k1f s GLN 83 CO 0.29 -0.37 0.39 1.14 -0.25 0.00 0.00 175.29 176.49 2k1f s GLN 84 N 1.45 0.40 0.11 2.91 -2.07 -0.56 -5.03 119.66 116.87 2k1f s GLN 84 Ca 0.03 0.14 -0.21 0.00 -1.82 0.00 0.00 55.36 53.50 2k1f s GLN 84 Cb -0.16 -0.37 -0.07 0.00 -1.09 0.00 0.00 33.01 31.32 2k1f s GLN 84 CO -0.00 -0.99 0.64 -1.14 -1.32 0.00 0.00 175.29 172.48 2k1f s GLN 85 N 2.52 4.31 -0.49 9.60 0.74 -1.26 -4.43 119.66 130.66 2k1f s GLN 85 Ca 0.10 0.87 -0.00 0.00 0.05 0.00 0.00 55.36 56.38 2k1f s GLN 85 Cb -0.13 -3.22 -0.00 0.00 1.10 0.00 0.00 33.01 30.76 2k1f s GLN 85 CO -0.29 0.60 0.46 2.41 -0.55 0.00 0.00 175.29 177.92 2k1f n THR 86 N 1.60 -6.96 -3.09 -0.34 -1.04 -1.26 -5.00 114.28 98.19 2k1f n THR 86 Ca -0.08 -0.18 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 2k1f n THR 86 Cb 0.50 -5.72 0.00 0.00 -1.82 0.00 0.00 70.33 63.29 2k1f n THR 86 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k1f n GLY 87 N -1.49 -0.53 0.00 3.41 0.00 -1.26 -5.17 105.19 100.14 2k1f n GLY 87 Ca -0.00 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.14 2k1f n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93