#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 -4.18 -3.60 7.83 7.64 -1.26 -3.27 113.62 116.78 2k1f n SER 2 Ca 0.00 0.21 -0.24 0.00 1.01 0.00 0.00 58.87 59.84 2k1f n SER 2 Cb 0.00 -3.62 -0.03 0.00 -1.01 0.00 0.00 64.21 59.54 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 -1.50 -2.11 -4.67 6.43 8.00 -1.26 -4.91 116.55 116.53 2k1f n ASP 3 Ca -0.16 -0.48 -0.42 0.00 0.71 0.00 0.00 54.79 54.44 2k1f n ASP 3 Cb 0.58 -1.84 -0.03 0.00 -0.02 0.00 0.00 41.12 39.82 2k1f n ASP 3 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2k1f s GLU 4 N -6.23 4.16 -1.59 -1.24 2.56 -1.20 -1.40 118.70 113.76 2k1f s GLU 4 Ca 0.46 2.49 0.00 0.00 0.00 0.00 0.00 54.97 57.92 2k1f s GLU 4 Cb -0.26 -3.94 0.00 0.00 2.00 0.00 0.00 34.13 31.93 2k1f s GLU 4 CO 0.57 -0.88 0.00 1.63 -0.56 0.00 0.00 175.26 176.02 2k1f n LYS 5 N 6.82 -1.12 -0.37 4.30 5.02 -1.26 -5.01 118.16 126.54 2k1f n LYS 5 Ca 0.18 0.99 0.00 0.00 -2.02 0.00 0.00 58.31 57.46 2k1f n LYS 5 Cb 0.41 -5.20 0.00 0.00 -0.02 0.00 0.00 35.03 30.22 2k1f n LYS 5 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2k1f n LYS 6 N -2.54 2.63 0.00 1.97 5.02 -0.49 -5.18 118.16 119.57 2k1f n LYS 6 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 2k1f n LYS 6 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.55 2k1f n LYS 6 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k1f n GLY 7 N 3.62 0.97 2.71 0.72 0.00 -1.26 -5.03 105.19 106.92 2k1f n GLY 7 Ca 0.00 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.21 4.97 2.91 -0.02 0.00 -1.26 -4.94 105.19 106.63 2k1f n GLY 8 Ca 0.00 -2.09 -0.28 0.00 0.00 0.00 0.00 46.02 43.64 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 -0.33 1.55 0.00 1.61 2.12 -1.26 -5.05 118.70 117.34 2k1f s GLU 9 Ca 0.45 -0.54 0.00 0.00 0.36 0.00 0.00 54.97 55.24 2k1f s GLU 9 Cb 0.13 -2.03 0.00 0.00 0.26 0.00 0.00 34.13 32.49 2k1f s GLU 9 CO -0.03 -0.41 0.00 2.41 -0.54 0.00 0.00 175.26 176.69 2k1f n THR 10 N 4.85 0.00 -3.49 -1.70 -1.04 -1.26 -4.96 114.28 106.69 2k1f n THR 10 Ca -0.12 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.50 2k1f n THR 10 Cb 0.48 -0.03 -0.10 0.00 -1.82 0.00 0.00 70.33 68.86 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 0.00 4.02 0.18 -2.82 2.12 -1.26 -5.03 118.70 115.90 2k1f s GLU 11 Ca 0.00 -0.10 -0.04 0.00 0.36 0.00 0.00 54.97 55.20 2k1f s GLU 11 Cb 0.00 -3.63 0.01 0.00 0.26 0.00 0.00 34.13 30.78 2k1f s GLU 11 CO 0.00 -0.18 0.30 -2.39 -0.54 0.00 0.00 175.26 172.45 2k1f n HIS 12 N 5.02 -1.25 -4.30 5.30 1.44 -1.26 -4.20 115.22 115.97 2k1f n HIS 12 Ca -0.11 -1.00 -0.16 0.00 -2.01 0.00 0.00 57.72 54.44 2k1f n HIS 12 Cb 0.51 0.34 -0.10 0.00 0.12 0.00 0.00 29.99 30.86 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 -2.60 1.31 0.24 0.61 -4.36 0.18 -4.83 121.20 111.75 2k1f s ILE 13 Ca 0.11 -2.10 -0.04 0.00 -0.26 0.00 0.00 60.65 58.36 2k1f s ILE 13 Cb -0.01 -2.01 -0.05 0.00 1.25 0.00 0.00 42.46 41.63 2k1f s ILE 13 CO 0.08 -0.61 0.49 0.20 0.24 0.00 0.00 174.94 175.33 2k1f s ASN 14 N -3.24 6.46 0.02 4.36 0.01 -1.26 -1.45 114.94 119.83 2k1f s ASN 14 Ca 0.21 0.64 0.02 0.00 -0.71 0.00 0.00 52.86 53.02 2k1f s ASN 14 Cb 0.02 -2.11 -0.01 0.00 0.41 0.00 0.00 41.25 39.56 2k1f s ASN 14 CO 0.04 -0.11 -0.06 -0.22 -1.51 0.00 0.00 177.10 175.24 2k1f s LEU 15 N -3.28 2.13 -0.28 0.60 2.96 0.14 -1.08 118.68 119.87 2k1f s LEU 15 Ca 0.43 -0.31 -0.06 0.00 -0.22 0.00 0.00 54.13 53.96 2k1f s LEU 15 Cb -0.11 -0.19 0.01 0.00 0.50 0.00 0.00 46.19 46.39 2k1f s LEU 15 CO 0.28 -0.07 0.06 -0.54 -1.32 0.00 0.00 176.35 174.76 2k1f s LYS 16 N -0.83 3.14 -0.42 1.98 -0.14 0.47 -0.84 119.74 123.11 2k1f s LYS 16 Ca -0.04 -0.82 -0.07 0.00 -1.36 0.00 0.00 55.97 53.68 2k1f s LYS 16 Cb -0.06 -3.31 0.10 0.00 -1.68 0.00 0.00 37.83 32.87 2k1f s LYS 16 CO 0.00 -0.40 0.25 0.08 -0.76 0.00 0.00 175.35 174.52 2k1f s VAL 17 N 1.50 3.87 -0.56 3.17 1.01 -0.01 -1.48 120.40 127.88 2k1f s VAL 17 Ca 0.03 -1.68 -0.21 0.00 0.00 0.00 0.00 61.98 60.12 2k1f s VAL 17 Cb -0.17 -3.48 0.07 0.00 0.00 0.00 0.00 36.38 32.80 2k1f s VAL 17 CO 0.02 -0.60 0.78 -0.76 0.00 0.00 0.00 175.10 174.54 2k1f s LEU 18 N 1.32 4.75 -0.17 3.92 1.02 0.18 -1.05 118.68 128.64 2k1f s LEU 18 Ca 0.05 -0.91 -0.23 0.00 0.02 0.00 0.00 54.13 53.06 2k1f s LEU 18 Cb -0.24 -2.49 -0.02 0.00 0.02 0.00 0.00 46.19 43.46 2k1f s LEU 18 CO -0.01 -1.12 0.70 -0.83 0.02 0.00 0.00 176.35 175.11 2k1f s GLY 19 N 3.11 2.15 0.43 -3.19 0.00 -1.25 0.01 107.32 108.58 2k1f s GLY 19 Ca 0.19 -0.12 0.20 0.00 0.00 0.00 0.00 44.72 45.00 2k1f s GLY 19 CO 0.12 1.40 1.81 -1.61 0.00 0.00 0.00 173.10 174.82 2k1f h GLN 20 N 7.32 0.34 0.00 2.90 4.15 -1.18 -0.03 115.11 128.60 2k1f h GLN 20 Ca -0.32 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.08 2k1f h GLN 20 Cb 1.15 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.76 2k1f h GLN 20 CO 0.79 0.22 0.00 -0.40 -1.93 0.00 0.00 178.83 177.51 2k1f n ASP 21 N -4.52 0.00 0.00 -0.69 5.68 -1.26 -4.89 116.55 110.87 2k1f n ASP 21 Ca 0.23 -0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.51 2k1f n ASP 21 Cb 0.84 -0.28 0.00 0.00 -1.14 0.00 0.00 41.12 40.54 2k1f n ASP 21 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2k1f n ASN 22 N -1.28 0.00 -4.19 -1.12 5.03 -0.03 -5.02 115.26 108.65 2k1f n ASN 22 Ca 0.09 0.00 -0.40 0.00 0.87 0.00 0.00 54.58 55.14 2k1f n ASN 22 Cb 0.15 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 38.90 2k1f n ASN 22 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2k1f n ALA 23 N -1.88 3.87 -2.67 5.41 0.00 -1.24 -4.88 120.51 119.11 2k1f n ALA 23 Ca 0.00 -3.66 -0.42 0.00 0.00 0.00 0.00 53.44 49.36 2k1f n ALA 23 Cb 0.00 -3.57 -0.03 0.00 0.00 0.00 0.00 19.45 15.85 2k1f n ALA 23 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2k1f s VAL 24 N 5.07 4.76 0.11 0.00 1.01 -1.26 -3.78 120.40 126.29 2k1f s VAL 24 Ca 0.54 2.00 0.05 0.00 0.00 0.00 0.00 61.98 64.58 2k1f s VAL 24 Cb 0.08 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 2k1f s VAL 24 CO 0.04 0.06 -0.13 0.68 0.00 0.00 0.00 175.10 175.75 2k1f s VAL 25 N 1.65 1.22 -0.22 2.92 -7.23 -0.22 -4.93 120.40 113.59 2k1f s VAL 25 Ca 0.50 -1.62 -0.06 0.00 -1.81 0.00 0.00 61.98 58.99 2k1f s VAL 25 Cb -0.20 -1.41 -0.03 0.00 0.56 0.00 0.00 36.38 35.30 2k1f s VAL 25 CO 0.22 -0.40 0.04 -1.58 -0.31 0.00 0.00 175.10 173.08 2k1f s GLN 26 N -2.49 3.68 0.36 4.82 0.74 -1.26 -0.83 119.66 124.67 2k1f s GLN 26 Ca 0.06 -0.48 0.08 0.00 0.05 0.00 0.00 55.36 55.07 2k1f s GLN 26 Cb -0.06 -3.22 -0.03 0.00 1.10 0.00 0.00 33.01 30.80 2k1f s GLN 26 CO 0.02 -0.07 0.29 -0.06 -0.55 0.00 0.00 175.29 174.93 2k1f s PHE 27 N 1.25 2.83 -0.02 1.67 0.40 -0.02 -4.96 117.98 119.14 2k1f s PHE 27 Ca 0.04 -0.36 0.03 0.00 -0.60 0.00 0.00 56.93 56.04 2k1f s PHE 27 Cb -0.15 -1.87 -0.00 0.00 0.51 0.00 0.00 43.02 41.51 2k1f s PHE 27 CO 0.03 0.13 -0.12 0.21 0.70 0.00 0.00 175.22 176.17 2k1f s LYS 28 N -4.00 1.07 -0.05 0.44 2.20 -1.26 -0.68 119.74 117.45 2k1f s LYS 28 Ca 0.42 -0.41 -0.04 0.00 -0.36 0.00 0.00 55.97 55.58 2k1f s LYS 28 Cb -0.05 -1.00 0.01 0.00 -1.51 0.00 0.00 37.83 35.28 2k1f s LYS 28 CO 0.26 0.20 0.13 -1.50 -0.36 0.00 0.00 175.35 174.08 2k1f s ILE 29 N -0.07 0.00 0.24 5.43 2.07 -0.53 -4.96 121.20 123.38 2k1f s ILE 29 Ca 0.01 -0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 58.95 2k1f s ILE 29 Cb -0.07 -0.18 -0.09 0.00 0.13 0.00 0.00 42.46 42.25 2k1f s ILE 29 CO 0.00 -0.00 0.99 -0.75 -1.91 0.00 0.00 174.94 173.27 2k1f s LYS 30 N 0.06 4.78 0.42 3.50 2.20 -1.26 -0.65 119.74 128.79 2k1f s LYS 30 Ca -0.00 1.58 0.11 0.00 -0.36 0.00 0.00 55.97 57.30 2k1f s LYS 30 Cb -0.01 -3.26 0.91 0.00 -1.51 0.00 0.00 37.83 33.96 2k1f s LYS 30 CO 0.00 0.40 1.99 0.87 -0.36 0.00 0.00 175.35 178.24 2k1f h LYS 31 N 4.22 0.20 0.00 4.03 1.57 -1.88 -1.23 116.57 123.48 2k1f h LYS 31 Ca -0.45 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2k1f h LYS 31 Cb 1.20 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2k1f h LYS 31 CO 0.68 0.28 0.00 0.72 -0.57 0.00 0.00 179.45 180.56 2k1f n HIS 32 N -4.35 0.39 -2.89 -1.35 8.25 -1.26 -3.74 115.22 110.26 2k1f n HIS 32 Ca -0.01 0.12 -0.41 0.00 -0.26 0.00 0.00 57.72 57.16 2k1f n HIS 32 Cb 0.21 -0.69 -0.04 0.00 1.12 0.00 0.00 29.99 30.58 2k1f n HIS 32 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2k1f s THR 33 N -3.05 4.91 0.51 1.59 2.01 -0.47 -5.04 115.64 116.11 2k1f s THR 33 Ca 0.12 1.66 -0.20 0.00 0.31 0.00 0.00 61.69 63.58 2k1f s THR 33 Cb 0.15 -4.14 -0.07 0.00 0.01 0.00 0.00 72.50 68.45 2k1f s THR 33 CO 0.53 0.09 1.09 -2.16 -0.69 0.00 0.00 174.62 173.48 2k1f s PRO 34 N 1.69 3.60 0.19 4.92 0.04 -1.26 -4.81 135.00 139.37 2k1f s PRO 34 Ca 0.40 1.49 -0.11 0.00 0.04 0.00 0.00 61.00 62.82 2k1f s PRO 34 Cb -0.17 -2.07 0.18 0.00 0.04 0.00 0.00 34.50 32.48 2k1f s PRO 34 CO 0.16 -0.63 1.79 -0.07 0.04 0.00 0.00 177.00 178.30 2k1f h LEU 35 N 1.42 0.44 -0.94 -3.56 -0.00 -1.51 -3.09 115.31 108.07 2k1f h LEU 35 Ca -0.50 0.03 0.22 0.00 -0.00 0.00 0.00 57.88 57.63 2k1f h LEU 35 Cb 1.24 -0.05 -0.18 0.00 -0.00 0.00 0.00 40.66 41.67 2k1f h LEU 35 CO 0.58 0.29 -0.14 -1.14 -0.00 0.00 0.00 178.44 178.04 2k1f n ARG 36 N -4.85 -0.08 0.04 1.13 0.63 0.30 -0.32 116.66 113.52 2k1f n ARG 36 Ca 0.06 1.45 0.13 0.00 -0.92 0.00 0.00 57.85 58.57 2k1f n ARG 36 Cb 0.15 -2.21 0.46 0.00 0.45 0.00 0.00 32.46 31.30 2k1f n ARG 36 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2k1f n LYS 37 N -5.48 0.12 -0.10 -0.14 3.00 -1.17 -1.64 118.16 112.75 2k1f n LYS 37 Ca 0.18 0.08 -0.19 0.00 -0.00 0.00 0.00 58.31 58.38 2k1f n LYS 37 Cb 0.57 -1.63 -0.09 0.00 0.00 0.00 0.00 35.03 33.88 2k1f n LYS 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2k1f n LEU 38 N -1.83 1.87 0.04 3.14 0.00 -0.33 -4.04 117.00 115.84 2k1f n LEU 38 Ca 0.06 0.45 -0.12 0.00 0.00 0.00 0.00 56.01 56.40 2k1f n LEU 38 Cb 0.38 -0.92 -0.07 0.00 0.00 0.00 0.00 43.42 42.81 2k1f n LEU 38 CO 0.30 0.15 0.87 0.24 0.00 0.00 0.00 177.39 178.95 2k1f h MET 39 N -1.00 -0.00 0.00 1.96 2.86 -0.70 -1.45 114.93 116.59 2k1f h MET 39 Ca -0.32 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.28 2k1f h MET 39 Cb 1.18 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 2k1f h MET 39 CO -0.19 0.01 -0.20 -0.91 1.06 0.00 0.00 176.91 176.68 2k1f h ASN 40 N -0.01 0.00 -0.11 1.22 2.35 -1.54 -0.67 115.58 116.82 2k1f h ASN 40 Ca -0.00 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.62 2k1f h ASN 40 Cb 0.01 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 2k1f h ASN 40 CO 0.00 0.20 -0.35 0.00 -1.65 0.00 0.00 177.43 175.63 2k1f h ALA 41 N 1.80 0.87 -0.31 -0.83 0.00 -1.58 -0.52 119.26 118.70 2k1f h ALA 41 Ca -0.00 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.39 2k1f h ALA 41 Cb 0.58 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2k1f h ALA 41 CO 0.03 0.63 -0.22 1.88 0.00 0.00 0.00 179.25 181.57 2k1f h TYR 42 N 0.52 0.65 -0.88 0.00 0.05 -0.72 -2.26 116.97 114.32 2k1f h TYR 42 Ca 0.05 -0.13 0.02 0.00 0.05 0.00 0.00 58.73 58.72 2k1f h TYR 42 Cb 0.85 -0.16 -0.05 0.00 1.01 0.00 0.00 36.73 38.38 2k1f h TYR 42 CO 0.04 0.76 0.58 0.00 -1.05 0.00 0.00 178.16 178.48 2k1f h ASP 44 N 1.14 0.11 -0.50 0.00 3.32 -0.93 0.21 116.42 119.78 2k1f h ASP 44 Ca 0.33 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.36 2k1f h ASP 44 Cb -0.06 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 2k1f h ASP 44 CO -0.09 0.09 0.21 0.03 -1.72 0.00 0.00 179.24 177.76 2k1f h ARG 45 N 0.16 0.74 -0.01 3.56 2.47 -1.08 -3.12 114.38 117.09 2k1f h ARG 45 Ca 0.06 -0.13 -0.00 0.00 -1.26 0.00 0.00 59.98 58.64 2k1f h ARG 45 Cb 0.01 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 28.20 2k1f h ARG 45 CO -0.03 0.65 -0.00 0.00 0.56 0.00 0.00 179.97 181.14 2k1f h ALA 46 N 1.05 0.02 -0.06 0.04 0.00 -0.95 -3.49 119.26 115.87 2k1f h ALA 46 Ca 0.17 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2k1f h ALA 46 Cb 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2k1f h ALA 46 CO -0.02 -0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.35 2k1f n GLY 47 N -0.13 0.56 2.86 0.00 0.00 0.67 -5.09 105.19 104.06 2k1f n GLY 47 Ca -0.08 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.03 0.00 -4.19 0.99 -0.00 -0.75 -5.04 117.00 107.98 2k1f n LEU 48 Ca 0.00 -2.42 -0.11 0.00 -0.00 0.00 0.00 56.01 53.47 2k1f n LEU 48 Cb 0.01 2.15 -0.10 0.00 -0.00 0.00 0.00 43.42 45.49 2k1f n LEU 48 CO 0.00 -0.55 -0.32 -0.44 -0.00 0.00 0.00 177.39 176.07 2k1f s SER 49 N -2.84 0.79 0.00 1.45 0.01 -1.26 -4.66 113.70 107.19 2k1f s SER 49 Ca 0.25 -1.16 0.17 0.00 1.31 0.00 0.00 55.95 56.51 2k1f s SER 49 Cb -0.01 0.19 1.00 0.00 0.21 0.00 0.00 66.02 67.41 2k1f s SER 49 CO 0.18 -0.63 1.56 0.80 0.41 0.00 0.00 173.24 175.56 2k1f n MET 50 N -0.14 0.87 0.24 12.44 1.56 -1.26 -2.61 117.12 128.22 2k1f n MET 50 Ca -0.07 0.00 -0.10 0.00 -0.27 0.00 0.00 57.70 57.26 2k1f n MET 50 Cb 0.63 -1.30 -0.05 0.00 2.15 0.00 0.00 33.22 34.65 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 -0.60 -0.15 2.12 1.08 -2.02 -3.40 115.11 112.15 2k1f h GLN 51 Ca 0.00 0.04 -0.19 0.00 -1.45 0.00 0.00 58.65 57.05 2k1f h GLN 51 Cb 0.00 0.14 0.01 0.00 -0.05 0.00 0.00 27.48 27.57 2k1f h GLN 51 CO 0.00 -0.40 -0.65 -0.39 -0.95 0.00 0.00 178.83 176.44 2k1f h VAL 52 N -0.81 1.31 -3.30 -0.54 -1.51 -1.91 -3.42 116.25 106.06 2k1f h VAL 52 Ca -0.06 -1.89 -0.61 0.00 -1.23 0.00 0.00 66.70 62.91 2k1f h VAL 52 Cb 0.48 2.03 -0.14 0.00 -2.13 0.00 0.00 31.29 31.53 2k1f h VAL 52 CO 0.10 0.59 -0.52 -0.69 -1.23 0.00 0.00 177.57 175.83 2k1f s VAL 53 N -3.77 5.18 0.46 7.19 1.01 -1.07 -4.64 120.40 124.77 2k1f s VAL 53 Ca -0.11 0.11 0.06 0.00 0.00 0.00 0.00 61.98 62.04 2k1f s VAL 53 Cb 0.08 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 2k1f s VAL 53 CO 0.87 0.44 0.23 -0.60 0.00 0.00 0.00 175.10 176.05 2k1f s ARG 54 N 0.42 2.25 0.10 2.72 6.06 -0.51 -4.35 118.95 125.63 2k1f s ARG 54 Ca 0.06 -1.95 -0.13 0.00 -2.50 0.00 0.00 55.73 51.21 2k1f s ARG 54 Cb -0.12 -1.98 0.02 0.00 0.06 0.00 0.00 34.95 32.93 2k1f s ARG 54 CO -0.01 -0.30 0.31 -0.59 -2.50 0.00 0.00 175.30 172.21 2k1f s PHE 55 N -2.68 -0.06 0.02 5.12 -0.71 -1.26 -0.05 117.98 118.36 2k1f s PHE 55 Ca 0.35 -0.28 0.00 0.00 -1.04 0.00 0.00 56.93 55.95 2k1f s PHE 55 Cb 0.01 0.12 -0.02 0.00 -1.21 0.00 0.00 43.02 41.92 2k1f s PHE 55 CO 0.20 -0.62 -0.03 1.03 -1.34 0.00 0.00 175.22 174.46 2k1f s ARG 56 N -3.69 0.30 -0.29 1.99 1.81 0.02 -4.92 118.95 114.17 2k1f s ARG 56 Ca 0.03 -0.58 -0.03 0.00 -1.72 0.00 0.00 55.73 53.43 2k1f s ARG 56 Cb 0.03 0.10 0.04 0.00 -0.45 0.00 0.00 34.95 34.67 2k1f s ARG 56 CO -0.11 -0.05 0.00 0.12 -0.68 0.00 0.00 175.30 174.59 2k1f s PHE 57 N -1.39 3.21 -1.65 -0.53 5.36 0.33 -1.20 117.98 122.11 2k1f s PHE 57 Ca -0.15 -1.69 0.00 0.00 -0.96 0.00 0.00 56.93 54.12 2k1f s PHE 57 Cb -0.10 -2.12 0.00 0.00 -0.34 0.00 0.00 43.02 40.46 2k1f s PHE 57 CO -0.01 -0.76 0.00 -3.47 -1.46 0.00 0.00 175.22 169.52 2k1f n ASP 58 N 4.67 -5.38 0.00 6.13 2.03 -1.26 -0.24 116.55 122.50 2k1f n ASP 58 Ca -0.14 0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.25 2k1f n ASP 58 Cb 0.45 -4.52 0.00 0.00 -0.72 0.00 0.00 41.12 36.32 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 -0.90 2.46 3.69 0.27 0.00 -1.26 -5.05 105.19 104.40 2k1f n GLY 59 Ca -0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.62 2.33 -0.52 1.61 -0.21 0.66 -4.98 119.66 117.93 2k1f s GLN 60 Ca 0.00 -1.50 -0.28 0.00 0.02 0.00 0.00 55.36 53.60 2k1f s GLN 60 Cb 0.00 -2.16 0.03 0.00 1.00 0.00 0.00 33.01 31.88 2k1f s GLN 60 CO 0.00 0.22 1.13 -1.25 -2.12 0.00 0.00 175.29 173.27 2k1f s PRO 61 N -3.77 3.60 0.49 2.91 0.04 -1.26 -0.51 135.00 136.49 2k1f s PRO 61 Ca 0.35 0.35 -0.10 0.00 0.04 0.00 0.00 61.00 61.64 2k1f s PRO 61 Cb -0.04 -3.96 -0.05 0.00 0.04 0.00 0.00 34.50 30.49 2k1f s PRO 61 CO 0.21 -1.50 0.86 -1.50 0.04 0.00 0.00 177.00 175.11 2k1f s ILE 62 N 4.57 4.77 -0.01 0.56 2.07 -1.26 -4.98 121.20 126.92 2k1f s ILE 62 Ca 0.44 0.65 0.01 0.00 -1.41 0.00 0.00 60.65 60.33 2k1f s ILE 62 Cb -0.08 -3.80 -0.04 0.00 0.13 0.00 0.00 42.46 38.68 2k1f s ILE 62 CO 0.28 -0.77 0.02 0.20 -1.91 0.00 0.00 174.94 172.77 2k1f s ASN 63 N -3.62 5.30 0.39 4.50 0.01 -1.26 -5.00 114.94 115.25 2k1f s ASN 63 Ca 0.52 0.05 0.28 0.00 -0.71 0.00 0.00 52.86 53.00 2k1f s ASN 63 Cb -0.10 -1.43 1.15 0.00 0.41 0.00 0.00 41.25 41.27 2k1f s ASN 63 CO 0.40 0.28 1.83 1.05 -1.51 0.00 0.00 177.10 179.15 2k1f h GLU 64 N 4.31 0.00 0.00 -0.60 4.11 -1.99 -2.59 114.58 117.83 2k1f h GLU 64 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 2k1f h GLU 64 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2k1f h GLU 64 CO 0.59 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.76 2k1f n ASN 65 N -2.61 0.17 -4.76 3.06 3.02 -1.26 -0.54 115.26 112.34 2k1f n ASN 65 Ca 0.01 0.52 -0.31 0.00 -0.03 0.00 0.00 54.58 54.77 2k1f n ASN 65 Cb 0.27 -0.56 0.10 0.00 -0.61 0.00 0.00 39.78 38.97 2k1f n ASN 65 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2k1f s ASP 66 N -3.32 4.38 -0.03 6.41 1.01 -0.98 -4.73 116.67 119.41 2k1f s ASP 66 Ca 0.13 1.87 -0.03 0.00 0.71 0.00 0.00 52.55 55.23 2k1f s ASP 66 Cb 0.17 -2.53 0.01 0.00 1.01 0.00 0.00 42.92 41.58 2k1f s ASP 66 CO 0.53 -2.12 0.08 0.42 0.21 0.00 0.00 175.17 174.30 2k1f s THR 67 N -2.85 0.01 -0.45 -1.27 -4.23 -1.26 -3.22 115.64 102.36 2k1f s THR 67 Ca 0.62 -0.05 0.26 0.00 -1.18 0.00 0.00 61.69 61.34 2k1f s THR 67 Cb -0.18 -0.14 0.30 0.00 1.34 0.00 0.00 72.50 73.82 2k1f s THR 67 CO 0.55 -0.03 1.77 1.55 -0.54 0.00 0.00 174.62 177.92 2k1f h PRO 68 N 5.92 0.00 0.00 3.99 0.13 -1.88 -2.30 132.00 137.86 2k1f h PRO 68 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2k1f h PRO 68 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2k1f h PRO 68 CO 0.45 0.00 0.00 1.79 -0.23 0.00 0.00 178.00 180.01 2k1f h THR 69 N 0.00 0.00 0.00 1.56 1.35 -1.97 1.00 112.91 114.85 2k1f h THR 69 Ca 0.00 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 2k1f h THR 69 Cb 0.58 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 2k1f h THR 69 CO 0.00 0.00 -0.36 -1.20 -0.25 0.00 0.00 175.52 173.71 2k1f n SER 70 N -2.72 0.61 -0.05 5.36 7.64 -0.87 -4.46 113.62 119.12 2k1f n SER 70 Ca 0.03 0.23 -0.11 0.00 1.01 0.00 0.00 58.87 60.02 2k1f n SER 70 Cb 0.36 -0.16 -0.04 0.00 -1.01 0.00 0.00 64.21 63.36 2k1f n SER 70 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2k1f n LEU 71 N -1.97 1.29 -2.89 -3.43 7.94 -1.09 -5.06 117.00 111.79 2k1f n LEU 71 Ca 0.05 0.21 -0.01 0.00 -1.11 0.00 0.00 56.01 55.15 2k1f n LEU 71 Cb 0.41 -0.50 0.00 0.00 0.53 0.00 0.00 43.42 43.86 2k1f n LEU 71 CO 0.33 -0.04 0.29 -0.62 -1.11 0.00 0.00 177.39 176.25 2k1f n GLU 72 N -3.83 -1.22 0.00 1.96 1.02 0.33 -5.08 120.64 113.81 2k1f n GLU 72 Ca -0.20 1.35 0.00 0.00 -0.02 0.00 0.00 57.16 58.29 2k1f n GLU 72 Cb 0.52 -5.29 0.00 0.00 -0.02 0.00 0.00 31.44 26.66 2k1f n GLU 72 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2k1f n MET 73 N -1.76 0.00 0.00 3.49 2.81 -1.26 -5.13 117.12 115.27 2k1f n MET 73 Ca -0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2k1f n MET 73 Cb 0.51 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.02 2k1f n MET 73 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 2k1f n GLU 74 N 0.00 3.89 -4.12 0.03 0.28 -1.26 -5.17 120.64 114.29 2k1f n GLU 74 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.88 2k1f n GLU 74 Cb 0.00 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 32.80 2k1f n GLU 74 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 2k1f s GLU 75 N 3.72 1.51 0.00 3.44 -1.05 -1.26 -4.98 118.70 120.09 2k1f s GLU 75 Ca 0.00 -1.58 0.00 0.00 -0.15 0.00 0.00 54.97 53.24 2k1f s GLU 75 Cb 0.00 0.37 0.00 0.00 -0.44 0.00 0.00 34.13 34.06 2k1f s GLU 75 CO 0.00 -0.58 0.00 0.41 0.95 0.00 0.00 175.26 176.04 2k1f n GLY 76 N -0.40 0.93 3.82 -3.83 0.00 -0.24 -4.94 105.19 100.53 2k1f n GLY 76 Ca 0.01 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.68 6.33 -0.46 1.61 -1.08 -1.21 -4.36 116.67 114.82 2k1f s ASP 77 Ca 0.00 1.69 -0.10 0.00 -0.52 0.00 0.00 52.55 53.62 2k1f s ASP 77 Cb 0.00 -2.52 0.11 0.00 -1.46 0.00 0.00 42.92 39.05 2k1f s ASP 77 CO 0.00 -0.79 0.34 0.42 0.52 0.00 0.00 175.17 175.66 2k1f s THR 78 N -2.48 4.32 -0.14 1.71 -4.23 -1.26 -0.40 115.64 113.15 2k1f s THR 78 Ca 0.61 -1.66 0.01 0.00 -1.18 0.00 0.00 61.69 59.48 2k1f s THR 78 Cb -0.12 -3.78 -0.00 0.00 1.34 0.00 0.00 72.50 69.93 2k1f s THR 78 CO 0.31 -0.72 -0.17 -0.51 -0.54 0.00 0.00 174.62 173.00 2k1f s ILE 79 N 1.40 2.59 -0.16 2.99 2.07 -0.55 -3.98 121.20 125.56 2k1f s ILE 79 Ca 0.05 -0.81 -0.10 0.00 -1.41 0.00 0.00 60.65 58.38 2k1f s ILE 79 Cb -0.26 -2.07 -0.05 0.00 0.13 0.00 0.00 42.46 40.21 2k1f s ILE 79 CO 0.00 0.53 0.19 -1.83 -1.91 0.00 0.00 174.94 171.92 2k1f s GLU 80 N 0.69 4.00 -0.12 3.50 -1.05 -0.34 -0.64 118.70 124.74 2k1f s GLU 80 Ca -0.08 -0.08 0.03 0.00 -0.15 0.00 0.00 54.97 54.69 2k1f s GLU 80 Cb -0.16 -3.35 0.01 0.00 -0.44 0.00 0.00 34.13 30.19 2k1f s GLU 80 CO 0.02 0.43 -0.21 0.08 0.95 0.00 0.00 175.26 176.52 2k1f s VAL 81 N -0.05 1.93 -0.78 1.83 1.01 0.10 -0.80 120.40 123.65 2k1f s VAL 81 Ca 0.13 -0.92 -0.11 0.00 0.00 0.00 0.00 61.98 61.08 2k1f s VAL 81 Cb -0.12 -1.70 0.21 0.00 0.00 0.00 0.00 36.38 34.77 2k1f s VAL 81 CO 0.02 0.53 0.69 -0.31 0.00 0.00 0.00 175.10 176.03 2k1f s TYR 82 N 0.64 3.68 0.03 5.22 1.51 0.92 -0.70 117.35 128.64 2k1f s TYR 82 Ca -0.12 -2.23 -0.11 0.00 -1.01 0.00 0.00 57.07 53.59 2k1f s TYR 82 Cb -0.16 -3.64 -0.06 0.00 -0.11 0.00 0.00 41.96 37.99 2k1f s TYR 82 CO 0.03 -0.94 0.37 -1.14 -1.11 0.00 0.00 175.55 172.76 2k1f s GLN 83 N 0.03 3.79 0.00 -0.62 0.74 -1.26 -1.43 119.66 120.91 2k1f s GLN 83 Ca 0.18 0.24 0.00 0.00 0.05 0.00 0.00 55.36 55.83 2k1f s GLN 83 Cb -0.13 -3.11 0.00 0.00 1.10 0.00 0.00 33.01 30.87 2k1f s GLN 83 CO -0.07 0.64 0.00 0.94 -0.55 0.00 0.00 175.29 176.24 2k1f n GLN 84 N 1.39 0.00 -4.43 1.67 7.27 -1.26 -4.23 117.38 117.78 2k1f n GLN 84 Ca -0.12 0.00 -0.20 0.00 0.07 0.00 0.00 57.00 56.76 2k1f n GLN 84 Cb 0.53 0.00 -0.14 0.00 2.41 0.00 0.00 30.24 33.03 2k1f n GLN 84 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 2k1f s GLN 85 N 0.00 0.88 0.04 3.69 -0.21 -1.26 -4.88 119.66 117.91 2k1f s GLN 85 Ca 0.00 -0.47 -0.02 0.00 0.02 0.00 0.00 55.36 54.89 2k1f s GLN 85 Cb 0.00 -0.85 -0.03 0.00 1.00 0.00 0.00 33.01 33.14 2k1f s GLN 85 CO 0.00 0.23 0.00 -0.08 -2.12 0.00 0.00 175.29 173.32 2k1f s THR 86 N -0.41 0.16 0.00 -0.19 -1.32 -1.26 -5.06 115.64 107.55 2k1f s THR 86 Ca 0.03 -1.32 0.00 0.00 -1.21 0.00 0.00 61.69 59.19 2k1f s THR 86 Cb -0.05 -0.93 0.00 0.00 -1.51 0.00 0.00 72.50 70.01 2k1f s THR 86 CO -0.00 -0.73 0.00 0.61 -2.21 0.00 0.00 174.62 172.29 2k1f n GLY 87 N 0.78 0.72 0.00 6.08 0.00 -1.26 -5.29 105.19 106.22 2k1f n GLY 87 Ca -0.19 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.16 2k1f n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93