#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 -0.08 3.17 2.88 -1.26 -4.81 113.62 113.52 2k1f n SER 2 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 2k1f n SER 2 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 2k1f n SER 2 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2k1f h ASP 3 N 0.00 0.00 -4.49 -3.46 1.82 -2.12 -3.48 116.42 104.69 2k1f h ASP 3 Ca 0.00 -0.82 -0.47 0.00 -0.39 0.00 0.00 57.03 55.35 2k1f h ASP 3 Cb 0.00 0.00 0.10 0.00 0.68 0.00 0.00 39.33 40.11 2k1f h ASP 3 CO 0.00 1.16 0.40 -1.83 -1.61 0.00 0.00 179.24 177.35 2k1f s GLU 4 N -2.26 1.86 -0.12 0.28 1.03 -1.26 -4.90 118.70 113.33 2k1f s GLU 4 Ca -0.22 0.03 -0.01 0.00 0.03 0.00 0.00 54.97 54.80 2k1f s GLU 4 Cb -0.00 -1.96 0.00 0.00 -0.80 0.00 0.00 34.13 31.37 2k1f s GLU 4 CO 0.65 -1.64 0.01 1.63 -1.33 0.00 0.00 175.26 174.58 2k1f n LYS 5 N -3.33 -1.70 -3.76 -4.83 5.02 -1.26 -0.16 118.16 108.14 2k1f n LYS 5 Ca 0.09 1.66 0.02 0.00 -2.02 0.00 0.00 58.31 58.05 2k1f n LYS 5 Cb 0.61 -2.74 0.00 0.00 -0.02 0.00 0.00 35.03 32.88 2k1f n LYS 5 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2k1f s LYS 6 N -1.14 0.45 0.00 1.97 -2.85 -1.26 -1.31 119.74 115.59 2k1f s LYS 6 Ca -0.01 -0.27 0.00 0.00 -1.00 0.00 0.00 55.97 54.69 2k1f s LYS 6 Cb 0.00 0.14 0.00 0.00 -2.06 0.00 0.00 37.83 35.91 2k1f s LYS 6 CO 0.32 -0.21 0.00 0.41 0.10 0.00 0.00 175.35 175.97 2k1f n GLY 7 N -0.65 3.07 2.95 0.59 0.00 -1.26 -5.10 105.19 104.79 2k1f n GLY 7 Ca -0.04 -0.45 -0.26 0.00 0.00 0.00 0.00 46.02 45.28 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 3.60 0.87 -0.02 0.00 -1.26 -5.12 105.19 103.26 2k1f n GLY 8 Ca 0.00 -2.33 0.02 0.00 0.00 0.00 0.00 46.02 43.70 2k1f n GLY 8 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2k1f n GLU 9 N -1.08 -0.69 0.00 1.61 0.00 -1.26 -5.04 120.64 114.18 2k1f n GLU 9 Ca -0.15 0.55 0.00 0.00 0.00 0.00 0.00 57.16 57.56 2k1f n GLU 9 Cb 0.52 -1.15 0.00 0.00 0.00 0.00 0.00 31.44 30.81 2k1f n GLU 9 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 2k1f n THR 10 N -2.75 0.00 -2.46 3.84 -1.04 -1.26 -4.99 114.28 105.62 2k1f n THR 10 Ca -0.01 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.58 2k1f n THR 10 Cb 0.11 -0.54 -0.03 0.00 -1.82 0.00 0.00 70.33 68.05 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 4.39 0.16 -2.82 2.12 -1.26 -4.97 118.70 116.32 2k1f s GLU 11 Ca 0.00 1.69 0.08 0.00 0.36 0.00 0.00 54.97 57.10 2k1f s GLU 11 Cb 0.00 -3.49 -0.04 0.00 0.26 0.00 0.00 34.13 30.86 2k1f s GLU 11 CO 0.00 -0.37 -0.17 -3.38 -0.54 0.00 0.00 175.26 170.80 2k1f s HIS 12 N 1.79 1.71 0.00 5.30 -3.43 -1.26 -1.65 115.29 117.75 2k1f s HIS 12 Ca 0.57 -0.50 0.00 0.00 -0.80 0.00 0.00 55.06 54.33 2k1f s HIS 12 Cb -0.26 -0.86 0.00 0.00 -1.43 0.00 0.00 32.58 30.03 2k1f s HIS 12 CO 0.25 0.29 0.00 0.44 -2.00 0.00 0.00 174.74 173.71 2k1f n ILE 13 N 0.30 0.00 -3.23 -5.38 -5.35 -0.74 -4.96 119.36 100.01 2k1f n ILE 13 Ca -0.13 0.00 -0.19 0.00 -0.27 0.00 0.00 62.75 62.16 2k1f n ILE 13 Cb 0.57 -0.12 -0.07 0.00 -1.74 0.00 0.00 39.64 38.29 2k1f n ILE 13 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 2k1f s ASN 14 N 0.38 0.68 -0.06 7.28 3.04 -1.26 -4.19 114.94 120.81 2k1f s ASN 14 Ca 0.00 -2.31 -0.30 0.00 0.04 0.00 0.00 52.86 50.29 2k1f s ASN 14 Cb 0.00 0.42 -0.03 0.00 -1.54 0.00 0.00 41.25 40.10 2k1f s ASN 14 CO 0.00 -0.17 1.11 -0.76 -3.04 0.00 0.00 177.10 174.25 2k1f s LEU 15 N 0.66 4.28 -0.39 3.21 1.02 0.11 -0.88 118.68 126.70 2k1f s LEU 15 Ca 0.27 1.72 -0.05 0.00 0.02 0.00 0.00 54.13 56.10 2k1f s LEU 15 Cb -0.03 -3.56 0.09 0.00 0.02 0.00 0.00 46.19 42.70 2k1f s LEU 15 CO -0.11 -0.50 0.18 -0.54 0.02 0.00 0.00 176.35 175.41 2k1f s LYS 16 N 1.94 2.32 -0.53 1.70 -0.14 0.06 -2.17 119.74 122.92 2k1f s LYS 16 Ca 0.53 -1.57 -0.17 0.00 -1.36 0.00 0.00 55.97 53.40 2k1f s LYS 16 Cb -0.23 -3.57 0.09 0.00 -1.68 0.00 0.00 37.83 32.44 2k1f s LYS 16 CO 0.22 -0.93 0.55 0.08 -0.76 0.00 0.00 175.35 174.51 2k1f s VAL 17 N 1.27 5.05 -0.82 3.17 1.01 0.28 -1.25 120.40 129.11 2k1f s VAL 17 Ca 0.03 -1.04 -0.21 0.00 0.00 0.00 0.00 61.98 60.76 2k1f s VAL 17 Cb -0.22 -4.31 0.10 0.00 0.00 0.00 0.00 36.38 31.94 2k1f s VAL 17 CO -0.01 -0.84 1.10 -0.76 0.00 0.00 0.00 175.10 174.58 2k1f s LEU 18 N 2.10 4.57 -0.18 3.92 1.02 0.00 -1.17 118.68 128.95 2k1f s LEU 18 Ca 0.08 -1.51 -0.29 0.00 0.02 0.00 0.00 54.13 52.43 2k1f s LEU 18 Cb -0.25 -2.43 -0.02 0.00 0.02 0.00 0.00 46.19 43.52 2k1f s LEU 18 CO 0.07 -1.28 1.39 -0.83 0.02 0.00 0.00 176.35 175.71 2k1f s GLY 19 N 3.80 1.51 0.07 -3.19 0.00 -0.93 -0.48 107.32 108.10 2k1f s GLY 19 Ca 0.30 0.46 0.16 0.00 0.00 0.00 0.00 44.72 45.64 2k1f s GLY 19 CO -0.01 2.68 1.51 -0.18 0.00 0.00 0.00 173.10 177.10 2k1f n GLN 20 N 7.00 0.05 0.00 2.90 0.00 0.64 -0.66 117.38 127.32 2k1f n GLN 20 Ca 0.15 0.31 0.13 0.00 -0.00 0.00 0.00 57.00 57.60 2k1f n GLN 20 Cb 0.45 -1.61 0.78 0.00 0.00 0.00 0.00 30.24 29.86 2k1f n GLN 20 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 2k1f n ASP 21 N -1.71 0.00 0.00 1.69 5.75 -1.26 -4.87 116.55 116.15 2k1f n ASP 21 Ca 0.03 -0.95 0.00 0.00 -0.01 0.00 0.00 54.79 53.86 2k1f n ASP 21 Cb 0.18 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 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 -0.96 0.00 -4.55 -1.12 5.03 0.16 -5.03 115.26 108.79 2k1f n ASN 22 Ca 0.20 0.00 -0.43 0.00 0.87 0.00 0.00 54.58 55.22 2k1f n ASN 22 Cb 0.09 0.00 -0.00 0.00 -1.02 0.00 0.00 39.78 38.85 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 -2.03 3.41 -0.27 5.41 0.00 -1.05 -4.86 121.76 122.36 2k1f s ALA 23 Ca 0.00 -2.95 -0.28 0.00 0.00 0.00 0.00 51.96 48.73 2k1f s ALA 23 Cb 0.00 -4.51 0.01 0.00 0.00 0.00 0.00 23.12 18.62 2k1f s ALA 23 CO 0.00 -3.21 1.03 0.08 0.00 0.00 0.00 175.76 173.66 2k1f s VAL 24 N 3.69 4.62 0.16 0.00 1.01 -1.26 -2.19 120.40 126.44 2k1f s VAL 24 Ca 0.50 1.83 0.03 0.00 0.00 0.00 0.00 61.98 64.35 2k1f s VAL 24 Cb 0.02 -4.33 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 2k1f s VAL 24 CO 0.04 -0.30 -0.05 0.54 0.00 0.00 0.00 175.10 175.33 2k1f s VAL 25 N 3.35 0.96 0.01 2.92 0.11 -0.31 -4.95 120.40 122.49 2k1f s VAL 25 Ca 0.43 -2.02 -0.21 0.00 -2.93 0.00 0.00 61.98 57.25 2k1f s VAL 25 Cb -0.14 -1.99 0.04 0.00 -1.53 0.00 0.00 36.38 32.77 2k1f s VAL 25 CO 0.10 -0.61 0.47 0.00 -3.33 0.00 0.00 175.10 171.73 2k1f s GLN 26 N -3.82 0.93 0.14 1.54 -2.07 -1.26 -0.56 119.66 114.55 2k1f s GLN 26 Ca 0.20 -0.17 -0.25 0.00 -1.82 0.00 0.00 55.36 53.32 2k1f s GLN 26 Cb 0.04 0.42 0.07 0.00 -1.09 0.00 0.00 33.01 32.45 2k1f s GLN 26 CO 0.02 -0.31 0.87 -0.59 -1.32 0.00 0.00 175.29 173.97 2k1f s PHE 27 N -1.96 -0.23 -0.23 9.60 -0.12 -0.92 -5.01 117.98 119.11 2k1f s PHE 27 Ca -0.08 -0.06 -0.07 0.00 -0.05 0.00 0.00 56.93 56.67 2k1f s PHE 27 Cb -0.02 0.62 -0.03 0.00 -0.63 0.00 0.00 43.02 42.97 2k1f s PHE 27 CO 0.02 -0.83 0.05 -1.59 -0.05 0.00 0.00 175.22 172.81 2k1f s LYS 28 N -3.39 3.67 0.09 1.99 -2.85 -1.26 -0.71 119.74 117.28 2k1f s LYS 28 Ca 0.09 -0.48 -0.01 0.00 -1.00 0.00 0.00 55.97 54.57 2k1f s LYS 28 Cb -0.02 -3.24 -0.04 0.00 -2.06 0.00 0.00 37.83 32.46 2k1f s LYS 28 CO -0.01 -0.09 0.27 -1.50 0.10 0.00 0.00 175.35 174.12 2k1f s ILE 29 N 1.32 5.31 0.17 3.79 2.07 -1.26 -4.90 121.20 127.71 2k1f s ILE 29 Ca 0.05 -0.27 -0.30 0.00 -1.41 0.00 0.00 60.65 58.71 2k1f s ILE 29 Cb -0.15 -3.64 -0.07 0.00 0.13 0.00 0.00 42.46 38.73 2k1f s ILE 29 CO 0.03 0.09 1.05 -0.75 -1.91 0.00 0.00 174.94 173.44 2k1f s LYS 30 N -2.61 4.65 0.50 3.50 2.47 -1.26 -1.79 119.74 125.20 2k1f s LYS 30 Ca 0.37 1.63 0.33 0.00 -1.56 0.00 0.00 55.97 56.73 2k1f s LYS 30 Cb -0.13 -3.30 1.41 0.00 -1.46 0.00 0.00 37.83 34.36 2k1f s LYS 30 CO 0.27 0.16 1.96 0.87 0.16 0.00 0.00 175.35 178.78 2k1f h LYS 31 N 5.07 0.00 0.00 4.03 1.57 -1.68 -1.83 116.57 123.72 2k1f h LYS 31 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 2k1f h LYS 31 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2k1f h LYS 31 CO 0.72 0.00 -0.03 0.72 -0.57 0.00 0.00 179.45 180.29 2k1f n HIS 32 N -2.88 0.44 -3.20 -1.35 -0.00 -1.26 -3.76 115.22 103.21 2k1f n HIS 32 Ca 0.00 0.13 -0.40 0.00 -0.00 0.00 0.00 57.72 57.46 2k1f n HIS 32 Cb 0.25 -0.70 -0.07 0.00 -0.00 0.00 0.00 29.99 29.47 2k1f n HIS 32 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 2k1f s THR 33 N -3.05 5.07 0.69 1.59 2.01 -0.69 -4.99 115.64 116.27 2k1f s THR 33 Ca 0.12 1.01 -0.12 0.00 0.31 0.00 0.00 61.69 63.01 2k1f s THR 33 Cb 0.16 -3.87 0.01 0.00 0.01 0.00 0.00 72.50 68.81 2k1f s THR 33 CO 0.57 0.14 1.07 -2.16 -0.69 0.00 0.00 174.62 173.55 2k1f s PRO 34 N 1.86 2.86 0.18 4.92 0.04 -1.26 -4.81 135.00 138.78 2k1f s PRO 34 Ca 0.25 1.08 -0.05 0.00 0.04 0.00 0.00 61.00 62.32 2k1f s PRO 34 Cb -0.16 -1.98 0.08 0.00 0.04 0.00 0.00 34.50 32.49 2k1f s PRO 34 CO 0.10 -1.17 1.49 -0.07 0.04 0.00 0.00 177.00 177.39 2k1f h LEU 35 N -0.52 0.68 -0.81 -3.56 -0.00 -1.54 -3.28 115.31 106.28 2k1f h LEU 35 Ca -0.45 -0.36 0.19 0.00 -0.00 0.00 0.00 57.88 57.27 2k1f h LEU 35 Cb 1.22 -0.20 -0.12 0.00 -0.00 0.00 0.00 40.66 41.56 2k1f h LEU 35 CO 0.56 1.09 0.22 -0.09 -0.00 0.00 0.00 178.44 180.22 2k1f h ARG 36 N 0.48 0.26 -0.46 1.13 2.43 -1.31 -0.59 114.38 116.32 2k1f h ARG 36 Ca 0.01 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 2k1f h ARG 36 Cb 1.09 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.56 2k1f h ARG 36 CO 0.11 0.17 0.17 -0.22 -1.51 0.00 0.00 179.97 178.69 2k1f h LYS 37 N 0.27 0.70 -0.33 0.20 3.64 -1.87 -1.35 116.57 117.83 2k1f h LYS 37 Ca 0.48 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.71 2k1f h LYS 37 Cb 0.89 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 2k1f h LYS 37 CO -0.57 0.65 0.14 1.25 -2.27 0.00 0.00 179.45 178.64 2k1f h LEU 38 N 0.60 0.45 -0.20 5.20 6.46 -1.48 -0.31 115.31 126.03 2k1f h LEU 38 Ca 0.15 -0.16 0.01 0.00 -0.12 0.00 0.00 57.88 57.77 2k1f h LEU 38 Cb 0.22 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.02 2k1f h LEU 38 CO -0.01 0.48 0.09 0.24 -0.62 0.00 0.00 178.44 178.62 2k1f h MET 39 N 0.38 0.19 -0.48 1.25 2.86 -1.07 -0.09 114.93 117.98 2k1f h MET 39 Ca 0.11 -0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.66 2k1f h MET 39 Cb 0.17 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 2k1f h MET 39 CO -0.01 0.13 0.00 -0.97 1.06 0.00 0.00 176.91 177.12 2k1f h ASN 40 N 0.20 0.83 -0.68 1.22 -0.73 -1.21 -1.38 115.58 113.84 2k1f h ASN 40 Ca 0.08 -0.30 0.00 0.00 1.87 0.00 0.00 56.30 57.95 2k1f h ASN 40 Cb 0.03 -0.22 -0.03 0.00 0.27 0.00 0.00 38.32 38.36 2k1f h ASN 40 CO -0.07 0.93 0.44 0.00 -0.37 0.00 0.00 177.43 178.36 2k1f h ALA 41 N 0.93 1.48 -0.27 1.57 0.00 -0.91 -0.40 119.26 121.66 2k1f h ALA 41 Ca 0.14 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2k1f h ALA 41 Cb 0.50 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2k1f h ALA 41 CO 0.02 0.47 -0.06 1.88 0.00 0.00 0.00 179.25 181.56 2k1f h TYR 42 N 0.93 0.58 -0.56 0.00 0.05 -0.87 -0.06 116.97 117.04 2k1f h TYR 42 Ca 0.25 -0.12 0.09 0.00 0.05 0.00 0.00 58.73 59.00 2k1f h TYR 42 Cb -0.08 -0.14 -0.07 0.00 1.01 0.00 0.00 36.73 37.45 2k1f h TYR 42 CO 0.00 0.72 0.16 0.00 -1.05 0.00 0.00 178.16 177.99 2k1f h ASP 44 N 0.32 -0.36 0.95 0.00 3.58 -1.08 -0.49 116.42 119.34 2k1f h ASP 44 Ca 0.28 -0.17 -0.16 0.00 0.42 0.00 0.00 57.03 57.41 2k1f h ASP 44 Cb 0.37 0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.49 2k1f h ASP 44 CO -0.32 0.01 -0.75 -0.09 -2.88 0.00 0.00 179.24 175.20 2k1f h ARG 45 N -0.77 0.00 0.16 0.28 9.65 -0.98 -3.08 114.38 119.64 2k1f h ARG 45 Ca -0.04 0.00 -0.30 0.00 -1.10 0.00 0.00 59.98 58.54 2k1f h ARG 45 Cb 0.51 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.10 2k1f h ARG 45 CO 0.07 0.75 -1.39 0.00 2.80 0.00 0.00 179.97 182.20 2k1f h ALA 46 N 1.25 0.07 -1.53 2.80 0.00 -1.30 -3.50 119.26 117.05 2k1f h ALA 46 Ca -0.01 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 53.96 2k1f h ALA 46 Cb 1.42 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2k1f h ALA 46 CO 0.10 0.94 0.00 0.41 0.00 0.00 0.00 179.25 180.70 2k1f n GLY 47 N 1.62 0.15 0.71 0.00 0.00 -0.52 -5.08 105.19 102.08 2k1f n GLY 47 Ca -0.13 -0.43 -0.03 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.41 0.00 -4.30 0.99 -0.00 -0.31 -5.04 117.00 107.93 2k1f n LEU 48 Ca 0.00 -0.58 -0.18 0.00 -0.00 0.00 0.00 56.01 55.25 2k1f n LEU 48 Cb 0.16 0.58 -0.10 0.00 -0.00 0.00 0.00 43.42 44.06 2k1f n LEU 48 CO 0.00 -0.14 -0.44 -0.44 -0.00 0.00 0.00 177.39 176.36 2k1f s SER 49 N -1.44 2.29 0.00 1.45 0.01 -1.26 -4.58 113.70 110.16 2k1f s SER 49 Ca 0.05 -0.94 0.31 0.00 1.31 0.00 0.00 55.95 56.69 2k1f s SER 49 Cb -0.00 -0.10 1.85 0.00 0.21 0.00 0.00 66.02 67.98 2k1f s SER 49 CO 0.04 -0.17 2.19 0.80 0.41 0.00 0.00 173.24 176.51 2k1f n MET 50 N 0.01 0.95 -0.06 12.44 1.56 -1.26 -2.78 117.12 127.98 2k1f n MET 50 Ca -0.11 0.00 -0.15 0.00 -0.27 0.00 0.00 57.70 57.17 2k1f n MET 50 Cb 0.59 -1.50 -0.06 0.00 2.15 0.00 0.00 33.22 34.40 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 0.62 0.00 2.12 1.08 -2.01 -3.35 115.11 113.56 2k1f h GLN 51 Ca 0.00 -0.40 -0.05 0.00 -1.45 0.00 0.00 58.65 56.74 2k1f h GLN 51 Cb 0.02 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 2k1f h GLN 51 CO 0.00 1.02 -0.82 -0.39 -0.95 0.00 0.00 178.83 177.69 2k1f h VAL 52 N 0.30 0.23 -3.24 -0.54 -1.51 -1.88 -3.41 116.25 106.19 2k1f h VAL 52 Ca 0.00 -1.40 -0.74 0.00 -1.23 0.00 0.00 66.70 63.33 2k1f h VAL 52 Cb 1.01 1.86 -0.24 0.00 -2.13 0.00 0.00 31.29 31.78 2k1f h VAL 52 CO 0.09 0.13 -0.31 -0.69 -1.23 0.00 0.00 177.57 175.56 2k1f s VAL 53 N -3.17 5.05 -0.13 7.19 1.01 -1.22 -3.78 120.40 125.34 2k1f s VAL 53 Ca 0.01 -1.30 -0.03 0.00 0.00 0.00 0.00 61.98 60.66 2k1f s VAL 53 Cb 0.08 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 2k1f s VAL 53 CO 0.76 -0.69 -0.03 -0.13 0.00 0.00 0.00 175.10 175.01 2k1f s ARG 54 N 1.58 3.44 0.12 2.72 1.81 -0.43 -4.76 118.95 123.43 2k1f s ARG 54 Ca 0.04 -0.50 0.10 0.00 -1.72 0.00 0.00 55.73 53.64 2k1f s ARG 54 Cb -0.26 -2.85 -0.04 0.00 -0.45 0.00 0.00 34.95 31.34 2k1f s ARG 54 CO 0.04 0.38 -0.23 -0.59 -0.68 0.00 0.00 175.30 174.22 2k1f s PHE 55 N -0.00 2.41 0.08 -0.53 -0.71 -1.26 -0.00 117.98 117.97 2k1f s PHE 55 Ca 0.01 -0.33 -0.03 0.00 -1.04 0.00 0.00 56.93 55.54 2k1f s PHE 55 Cb -0.13 -1.29 -0.03 0.00 -1.21 0.00 0.00 43.02 40.36 2k1f s PHE 55 CO 0.03 0.36 0.05 1.03 -1.34 0.00 0.00 175.22 175.35 2k1f s ARG 56 N -2.09 0.74 -0.11 1.99 0.52 -0.80 -4.62 118.95 114.58 2k1f s ARG 56 Ca 0.16 -1.18 0.02 0.00 -0.52 0.00 0.00 55.73 54.21 2k1f s ARG 56 Cb -0.10 0.26 0.01 0.00 0.52 0.00 0.00 34.95 35.64 2k1f s ARG 56 CO 0.08 -0.19 -0.17 0.12 0.02 0.00 0.00 175.30 175.16 2k1f s PHE 57 N -3.93 2.18 -1.57 -0.53 2.19 0.31 -0.70 117.98 115.93 2k1f s PHE 57 Ca 0.09 -1.03 -0.13 0.00 0.33 0.00 0.00 56.93 56.19 2k1f s PHE 57 Cb 0.07 -1.53 0.10 0.00 -1.31 0.00 0.00 43.02 40.35 2k1f s PHE 57 CO -0.08 -0.50 0.83 -3.47 1.83 0.00 0.00 175.22 173.83 2k1f n ASP 58 N 4.10 -3.52 0.00 6.13 2.03 -1.23 -1.70 116.55 122.37 2k1f n ASP 58 Ca -0.19 -0.89 0.00 0.00 0.52 0.00 0.00 54.79 54.22 2k1f n ASP 58 Cb 0.51 -3.39 0.00 0.00 -0.72 0.00 0.00 41.12 37.53 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 -1.61 3.30 3.39 0.27 0.00 -1.26 -5.05 105.19 104.22 2k1f n GLY 59 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 1.40 -0.35 1.61 -0.21 -0.69 -5.05 119.66 115.76 2k1f s GLN 60 Ca 0.00 -1.35 -0.29 0.00 0.02 0.00 0.00 55.36 53.74 2k1f s GLN 60 Cb 0.00 -1.88 -0.01 0.00 1.00 0.00 0.00 33.01 32.12 2k1f s GLN 60 CO 0.00 0.44 1.66 -1.25 -2.12 0.00 0.00 175.29 174.03 2k1f s PRO 61 N -2.08 3.45 0.42 2.91 0.04 -1.26 -0.53 135.00 137.95 2k1f s PRO 61 Ca 0.14 1.29 -0.11 0.00 0.04 0.00 0.00 61.00 62.37 2k1f s PRO 61 Cb -0.10 -4.13 -0.06 0.00 0.04 0.00 0.00 34.50 30.25 2k1f s PRO 61 CO 0.06 -1.72 0.79 -1.50 0.04 0.00 0.00 177.00 174.67 2k1f s ILE 62 N 6.28 4.77 0.31 0.56 2.07 -1.26 -4.93 121.20 129.00 2k1f s ILE 62 Ca 0.73 0.65 -0.28 0.00 -1.41 0.00 0.00 60.65 60.34 2k1f s ILE 62 Cb -0.20 -3.74 -0.09 0.00 0.13 0.00 0.00 42.46 38.56 2k1f s ILE 62 CO 0.33 -0.55 1.08 0.21 -1.91 0.00 0.00 174.94 174.10 2k1f s ASN 63 N -3.20 7.16 0.07 4.50 3.84 -1.26 -4.99 114.94 121.06 2k1f s ASN 63 Ca 0.52 2.21 0.22 0.00 0.21 0.00 0.00 52.86 56.02 2k1f s ASN 63 Cb -0.10 -2.62 -0.16 0.00 -0.55 0.00 0.00 41.25 37.82 2k1f s ASN 63 CO 0.32 -0.22 0.77 -1.84 -2.79 0.00 0.00 177.10 173.34 2k1f n GLU 64 N 0.91 0.59 0.15 0.43 -0.00 -1.26 -4.37 120.64 117.09 2k1f n GLU 64 Ca 0.00 -0.05 0.02 0.00 -0.00 0.00 0.00 57.16 57.13 2k1f n GLU 64 Cb 0.46 -1.65 0.18 0.00 -0.00 0.00 0.00 31.44 30.43 2k1f n GLU 64 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.13 176.16 2k1f h ASN 65 N 0.00 0.00 -4.12 -1.84 -1.24 -1.96 0.02 115.58 106.44 2k1f h ASN 65 Ca 0.00 0.00 -0.46 0.00 0.71 0.00 0.00 56.30 56.55 2k1f h ASN 65 Cb 0.97 0.00 0.13 0.00 0.73 0.00 0.00 38.32 40.14 2k1f h ASN 65 CO 0.00 0.54 0.38 -0.62 -1.29 0.00 0.00 177.43 176.45 2k1f s ASP 66 N -6.59 3.86 0.11 1.15 2.15 -1.26 -4.64 116.67 111.46 2k1f s ASP 66 Ca 0.00 0.44 0.10 0.00 0.43 0.00 0.00 52.55 53.53 2k1f s ASP 66 Cb 0.11 -0.73 -0.04 0.00 -0.30 0.00 0.00 42.92 41.96 2k1f s ASP 66 CO 0.73 -2.27 -0.27 0.42 -0.17 0.00 0.00 175.17 173.62 2k1f s THR 67 N -3.67 2.21 -1.48 1.71 -4.23 -1.26 -3.39 115.64 105.53 2k1f s THR 67 Ca 0.68 -1.66 0.22 0.00 -1.18 0.00 0.00 61.69 59.75 2k1f s THR 67 Cb -0.07 -1.94 0.41 0.00 1.34 0.00 0.00 72.50 72.24 2k1f s THR 67 CO 0.50 0.15 1.71 -0.81 -0.54 0.00 0.00 174.62 175.64 2k1f n PRO 68 N 1.13 0.35 0.11 3.99 -0.04 -1.25 -1.27 135.00 138.03 2k1f n PRO 68 Ca -0.18 0.07 -0.03 0.00 -0.04 0.00 0.00 63.50 63.32 2k1f n PRO 68 Cb 0.53 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.61 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 1.45 -0.35 0.52 1.35 -1.94 -1.73 112.91 112.21 2k1f h THR 69 Ca 0.00 -2.21 -0.09 0.00 -0.55 0.00 0.00 66.41 63.56 2k1f h THR 69 Cb 0.19 2.18 -0.02 0.00 -1.73 0.00 0.00 68.15 68.77 2k1f h THR 69 CO 0.00 0.64 -0.14 0.28 -0.25 0.00 0.00 175.52 176.05 2k1f h SER 70 N 0.05 0.61 -0.42 5.36 0.02 -1.53 -1.96 113.55 115.68 2k1f h SER 70 Ca -0.01 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 2k1f h SER 70 Cb 1.18 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.55 2k1f h SER 70 CO 0.09 0.77 0.00 0.18 -1.14 0.00 0.00 176.83 176.73 2k1f n LEU 71 N -4.17 3.03 -4.03 5.07 4.32 -1.24 -5.00 117.00 114.98 2k1f n LEU 71 Ca 0.01 -1.38 -0.45 0.00 -0.02 0.00 0.00 56.01 54.17 2k1f n LEU 71 Cb 0.35 -0.27 0.02 0.00 -1.62 0.00 0.00 43.42 41.90 2k1f n LEU 71 CO 0.42 0.69 -0.16 -0.62 -1.22 0.00 0.00 177.39 176.50 2k1f n GLU 72 N 1.19 -0.39 -2.66 3.23 1.02 -0.74 -4.96 120.64 117.32 2k1f n GLU 72 Ca 0.19 0.12 -0.21 0.00 -0.02 0.00 0.00 57.16 57.24 2k1f n GLU 72 Cb 0.52 -2.76 0.03 0.00 -0.02 0.00 0.00 31.44 29.21 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 -7.25 2.59 0.00 3.49 -1.94 -0.67 -5.03 119.30 110.49 2k1f s MET 73 Ca 0.49 -0.74 0.00 0.00 -1.71 0.00 0.00 55.69 53.72 2k1f s MET 73 Cb -0.25 -2.49 0.00 0.00 2.01 0.00 0.00 34.83 34.10 2k1f s MET 73 CO 0.96 -0.68 0.00 -1.91 -0.01 0.00 0.00 175.02 173.38 2k1f n GLU 74 N -2.33 0.00 -3.59 2.03 2.13 -1.26 -4.97 120.64 112.65 2k1f n GLU 74 Ca 0.07 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.74 2k1f n GLU 74 Cb 0.59 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.24 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 0.11 0.98 0.00 5.31 -1.05 -1.26 -4.86 118.70 117.93 2k1f s GLU 75 Ca 0.00 -0.07 0.00 0.00 -0.15 0.00 0.00 54.97 54.75 2k1f s GLU 75 Cb 0.00 0.45 0.00 0.00 -0.44 0.00 0.00 34.13 34.14 2k1f s GLU 75 CO 0.00 -0.33 0.00 0.41 0.95 0.00 0.00 175.26 176.29 2k1f n GLY 76 N 0.71 0.59 3.35 -3.83 0.00 -1.21 -4.90 105.19 99.90 2k1f n GLY 76 Ca -0.19 -0.53 -0.46 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.05 6.56 -0.73 1.61 1.11 -0.06 -4.89 116.67 120.23 2k1f s ASP 77 Ca 0.00 -2.26 -0.25 0.00 0.18 0.00 0.00 52.55 50.22 2k1f s ASP 77 Cb 0.00 -2.25 0.05 0.00 1.07 0.00 0.00 42.92 41.79 2k1f s ASP 77 CO 0.00 -0.78 1.16 0.42 1.18 0.00 0.00 175.17 177.16 2k1f s THR 78 N 1.16 3.99 -0.18 -1.27 -4.23 -1.26 -0.76 115.64 113.10 2k1f s THR 78 Ca 0.17 -0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.61 2k1f s THR 78 Cb -0.15 -4.83 -0.04 0.00 1.34 0.00 0.00 72.50 68.82 2k1f s THR 78 CO -0.05 -1.70 0.05 -0.51 -0.54 0.00 0.00 174.62 171.87 2k1f s ILE 79 N 4.97 4.66 0.01 2.99 2.07 -0.38 -3.52 121.20 132.00 2k1f s ILE 79 Ca 0.30 -0.08 -0.13 0.00 -1.41 0.00 0.00 60.65 59.33 2k1f s ILE 79 Cb -0.11 -3.09 -0.06 0.00 0.13 0.00 0.00 42.46 39.33 2k1f s ILE 79 CO 0.11 0.46 0.39 -1.83 -1.91 0.00 0.00 174.94 172.16 2k1f s GLU 80 N 0.39 3.85 -0.22 3.50 -1.05 0.12 -0.82 118.70 124.47 2k1f s GLU 80 Ca 0.02 0.33 0.02 0.00 -0.15 0.00 0.00 54.97 55.19 2k1f s GLU 80 Cb -0.13 -3.18 0.04 0.00 -0.44 0.00 0.00 34.13 30.43 2k1f s GLU 80 CO 0.01 0.67 -0.15 0.08 0.95 0.00 0.00 175.26 176.82 2k1f s VAL 81 N -1.14 2.14 -0.40 1.83 1.01 0.37 -1.91 120.40 122.31 2k1f s VAL 81 Ca 0.25 -1.30 -0.25 0.00 0.00 0.00 0.00 61.98 60.68 2k1f s VAL 81 Cb -0.16 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.15 2k1f s VAL 81 CO 0.13 0.24 0.87 -0.47 0.00 0.00 0.00 175.10 175.87 2k1f s TYR 82 N 1.19 3.04 -0.01 5.22 5.04 1.00 -0.26 117.35 132.57 2k1f s TYR 82 Ca -0.02 0.54 0.05 0.00 -2.44 0.00 0.00 57.07 55.20 2k1f s TYR 82 Cb -0.17 -3.66 -0.03 0.00 0.35 0.00 0.00 41.96 38.46 2k1f s TYR 82 CO -0.09 -0.89 -0.16 -0.65 -1.34 0.00 0.00 175.55 172.43 2k1f s GLN 83 N 3.41 2.31 0.21 4.97 -1.52 -1.26 -1.32 119.66 126.47 2k1f s GLN 83 Ca 0.35 -0.82 -0.10 0.00 -1.95 0.00 0.00 55.36 52.84 2k1f s GLN 83 Cb -0.12 -2.29 -0.01 0.00 -0.22 0.00 0.00 33.01 30.37 2k1f s GLN 83 CO 0.21 0.59 0.36 1.14 -0.25 0.00 0.00 175.29 177.33 2k1f s GLN 84 N -1.03 1.36 -1.29 2.91 -2.07 -1.25 -4.54 119.66 113.76 2k1f s GLN 84 Ca 0.13 -1.29 0.00 0.00 -1.82 0.00 0.00 55.36 52.38 2k1f s GLN 84 Cb -0.11 0.41 0.00 0.00 -1.09 0.00 0.00 33.01 32.22 2k1f s GLN 84 CO 0.03 -0.53 0.00 1.04 -1.32 0.00 0.00 175.29 174.51 2k1f n GLN 85 N -0.31 -0.96 -2.12 9.60 3.00 -1.26 -4.94 117.38 120.39 2k1f n GLN 85 Ca -0.03 0.85 -0.33 0.00 -0.01 0.00 0.00 57.00 57.48 2k1f n GLN 85 Cb 0.63 -4.96 0.01 0.00 0.00 0.00 0.00 30.24 25.91 2k1f n GLN 85 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 2k1f s THR 86 N -2.54 3.69 0.00 5.09 -4.23 -1.26 -4.85 115.64 111.54 2k1f s THR 86 Ca 0.00 0.86 0.00 0.00 -1.18 0.00 0.00 61.69 61.37 2k1f s THR 86 Cb 0.00 -3.36 0.00 0.00 1.34 0.00 0.00 72.50 70.48 2k1f s THR 86 CO 0.00 -0.42 0.00 0.61 -0.54 0.00 0.00 174.62 174.27 2k1f n GLY 87 N -0.72 -0.26 0.00 3.99 0.00 -1.26 -5.26 105.19 101.68 2k1f n GLY 87 Ca 0.09 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.77 2k1f n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93