#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 -5.65 0.00 7.83 2.88 -1.26 -4.80 113.62 112.63 2k1f n SER 2 Ca 0.00 -0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 2k1f n SER 2 Cb 0.00 -4.63 0.00 0.00 -0.75 0.00 0.00 64.21 58.83 2k1f n SER 2 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2k1f n ASP 3 N -1.83 0.00 -4.46 -3.46 8.00 -1.26 -5.15 116.55 108.39 2k1f n ASP 3 Ca -0.20 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.01 2k1f n ASP 3 Cb 0.66 0.00 0.24 0.00 -0.02 0.00 0.00 41.12 42.00 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 -2.14 0.00 -1.24 2.13 -1.26 -5.01 120.64 113.12 2k1f n GLU 4 Ca 0.00 -0.59 0.00 0.00 0.66 0.00 0.00 57.16 57.23 2k1f n GLU 4 Cb 0.00 -2.12 0.00 0.00 0.27 0.00 0.00 31.44 29.59 2k1f n GLU 4 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2k1f n LYS 5 N -4.48 0.00 0.00 5.31 4.76 -1.26 -0.22 118.16 122.27 2k1f n LYS 5 Ca 0.04 0.43 0.00 0.00 -2.87 0.00 0.00 58.31 55.91 2k1f n LYS 5 Cb 0.55 -1.33 0.00 0.00 -1.84 0.00 0.00 35.03 32.41 2k1f n LYS 5 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2k1f n LYS 6 N -1.66 0.00 0.00 1.97 5.02 -1.26 -0.51 118.16 121.72 2k1f n LYS 6 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2k1f n LYS 6 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 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 1.55 2.20 0.00 0.72 0.00 -1.26 -4.66 105.19 103.75 2k1f n GLY 7 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.11 4.34 -0.02 0.00 -1.26 -5.03 105.19 101.11 2k1f n GLY 8 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.75 2k1f n GLY 8 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k1f n GLU 9 N 0.00 0.00 -1.22 1.61 4.07 -1.26 -4.99 120.64 118.84 2k1f n GLU 9 Ca 0.00 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.81 2k1f n GLU 9 Cb 0.00 -0.59 0.18 0.00 -0.06 0.00 0.00 31.44 30.97 2k1f n GLU 9 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 2k1f s THR 10 N 0.00 1.94 -0.80 6.31 -4.23 -1.26 -4.65 115.64 112.95 2k1f s THR 10 Ca 0.00 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.36 2k1f s THR 10 Cb 0.00 -2.54 0.02 0.00 1.34 0.00 0.00 72.50 71.32 2k1f s THR 10 CO 0.00 0.00 0.49 1.21 -0.54 0.00 0.00 174.62 175.78 2k1f n GLU 11 N -4.22 -0.76 -4.48 3.99 4.07 -1.26 -4.92 120.64 113.06 2k1f n GLU 11 Ca 0.07 0.22 -0.25 0.00 -0.06 0.00 0.00 57.16 57.14 2k1f n GLU 11 Cb 0.58 -1.67 -0.10 0.00 -0.06 0.00 0.00 31.44 30.19 2k1f n GLU 11 CO 0.00 0.00 0.00 -3.38 -0.06 0.00 0.00 177.13 173.69 2k1f s HIS 12 N -3.35 2.34 0.02 4.31 -3.43 -1.26 -3.99 115.29 109.93 2k1f s HIS 12 Ca 0.20 -0.38 0.04 0.00 -0.80 0.00 0.00 55.06 54.13 2k1f s HIS 12 Cb -0.11 -1.11 -0.02 0.00 -1.43 0.00 0.00 32.58 29.91 2k1f s HIS 12 CO 0.72 0.68 -0.13 0.96 -2.00 0.00 0.00 174.74 174.97 2k1f s ILE 13 N -2.53 1.02 0.04 -5.38 -4.36 -0.49 -4.94 121.20 104.56 2k1f s ILE 13 Ca 0.31 -0.83 -0.01 0.00 -0.26 0.00 0.00 60.65 59.86 2k1f s ILE 13 Cb -0.03 -0.91 -0.04 0.00 1.25 0.00 0.00 42.46 42.73 2k1f s ILE 13 CO 0.16 0.07 0.21 0.20 0.24 0.00 0.00 174.94 175.82 2k1f s ASN 14 N -0.86 6.37 0.15 4.36 0.01 -1.26 -1.04 114.94 122.68 2k1f s ASN 14 Ca 0.02 0.32 0.11 0.00 -0.71 0.00 0.00 52.86 52.59 2k1f s ASN 14 Cb -0.07 -1.98 -0.04 0.00 0.41 0.00 0.00 41.25 39.57 2k1f s ASN 14 CO 0.01 0.20 -0.24 -0.76 -1.51 0.00 0.00 177.10 174.79 2k1f s LEU 15 N -2.32 2.45 -0.20 0.60 1.02 -0.37 -0.66 118.68 119.20 2k1f s LEU 15 Ca 0.33 -0.75 0.01 0.00 0.02 0.00 0.00 54.13 53.73 2k1f s LEU 15 Cb -0.13 -1.27 0.03 0.00 0.02 0.00 0.00 46.19 44.84 2k1f s LEU 15 CO 0.25 0.16 -0.16 -0.54 0.02 0.00 0.00 176.35 176.07 2k1f s LYS 16 N -2.32 2.87 -0.23 1.70 -0.14 0.54 -2.81 119.74 119.35 2k1f s LYS 16 Ca 0.17 -0.92 -0.06 0.00 -1.36 0.00 0.00 55.97 53.81 2k1f s LYS 16 Cb -0.09 -2.68 -0.02 0.00 -1.68 0.00 0.00 37.83 33.35 2k1f s LYS 16 CO 0.08 -0.29 0.02 0.08 -0.76 0.00 0.00 175.35 174.48 2k1f s VAL 17 N 1.27 3.92 -0.51 3.17 1.01 0.08 -1.98 120.40 127.36 2k1f s VAL 17 Ca 0.02 -0.31 -0.12 0.00 0.00 0.00 0.00 61.98 61.57 2k1f s VAL 17 Cb -0.15 -2.80 0.13 0.00 0.00 0.00 0.00 36.38 33.56 2k1f s VAL 17 CO -0.10 0.39 0.42 -0.76 0.00 0.00 0.00 175.10 175.05 2k1f s LEU 18 N 1.40 5.92 0.10 3.92 1.02 0.14 -1.18 118.68 130.01 2k1f s LEU 18 Ca 0.05 -1.91 -0.30 0.00 0.02 0.00 0.00 54.13 51.98 2k1f s LEU 18 Cb -0.15 -2.09 -0.06 0.00 0.02 0.00 0.00 46.19 43.91 2k1f s LEU 18 CO 0.01 -0.75 1.10 -0.83 0.02 0.00 0.00 176.35 175.90 2k1f s GLY 19 N 2.98 2.72 0.04 -3.19 0.00 -0.64 -1.33 107.32 107.90 2k1f s GLY 19 Ca 0.05 0.75 0.20 0.00 0.00 0.00 0.00 44.72 45.73 2k1f s GLY 19 CO 0.00 1.77 1.63 -0.18 0.00 0.00 0.00 173.10 176.33 2k1f n GLN 20 N 3.21 0.03 -0.06 2.90 0.00 0.54 -0.96 117.38 123.04 2k1f n GLN 20 Ca 0.05 0.20 0.09 0.00 -0.00 0.00 0.00 57.00 57.34 2k1f n GLN 20 Cb 0.47 -1.55 0.37 0.00 0.00 0.00 0.00 30.24 29.53 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 -1.61 1.01 0.00 1.69 5.75 -1.26 -4.90 116.55 117.23 2k1f n ASP 21 Ca 0.04 -1.68 0.00 0.00 -0.01 0.00 0.00 54.79 53.14 2k1f n ASP 21 Cb 0.23 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 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 -0.08 -2.95 -4.31 -1.12 3.02 -0.14 -5.00 115.26 104.68 2k1f n ASN 22 Ca 0.13 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.26 2k1f n ASN 22 Cb 0.21 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.89 2k1f n ASN 22 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k1f n ALA 23 N 0.95 4.18 -2.62 5.41 0.00 -1.17 -4.85 120.51 122.42 2k1f n ALA 23 Ca 0.00 -3.90 -0.42 0.00 0.00 0.00 0.00 53.44 49.12 2k1f n ALA 23 Cb 0.00 -3.53 -0.05 0.00 0.00 0.00 0.00 19.45 15.88 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 3.61 4.79 0.07 0.00 1.01 -1.26 -1.62 120.40 127.00 2k1f s VAL 24 Ca 0.51 1.21 -0.05 0.00 0.00 0.00 0.00 61.98 63.65 2k1f s VAL 24 Cb 0.06 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 2k1f s VAL 24 CO 0.03 -0.24 0.08 0.54 0.00 0.00 0.00 175.10 175.51 2k1f s VAL 25 N 2.96 0.18 -0.08 2.92 0.11 -0.32 -4.99 120.40 121.18 2k1f s VAL 25 Ca 0.33 -1.51 -0.15 0.00 -2.93 0.00 0.00 61.98 57.72 2k1f s VAL 25 Cb -0.14 -1.46 0.03 0.00 -1.53 0.00 0.00 36.38 33.28 2k1f s VAL 25 CO 0.12 -0.81 0.37 0.00 -3.33 0.00 0.00 175.10 171.46 2k1f s GLN 26 N -3.90 0.59 0.14 1.54 -2.07 -1.26 -0.74 119.66 113.96 2k1f s GLN 26 Ca 0.07 0.18 -0.03 0.00 -1.82 0.00 0.00 55.36 53.76 2k1f s GLN 26 Cb 0.06 0.27 -0.03 0.00 -1.09 0.00 0.00 33.01 32.23 2k1f s GLN 26 CO -0.10 -0.13 0.10 -0.59 -1.32 0.00 0.00 175.29 173.25 2k1f s PHE 27 N -0.59 0.75 0.05 9.60 -0.12 -1.12 -5.00 117.98 121.55 2k1f s PHE 27 Ca -0.07 -1.13 0.07 0.00 -0.05 0.00 0.00 56.93 55.75 2k1f s PHE 27 Cb -0.04 -0.39 -0.03 0.00 -0.63 0.00 0.00 43.02 41.94 2k1f s PHE 27 CO 0.03 -0.56 -0.19 -1.59 -0.05 0.00 0.00 175.22 172.85 2k1f s LYS 28 N -4.03 1.25 0.06 1.99 -2.85 -1.26 -1.24 119.74 113.66 2k1f s LYS 28 Ca 0.22 -0.95 0.00 0.00 -1.00 0.00 0.00 55.97 54.25 2k1f s LYS 28 Cb 0.07 -1.37 -0.04 0.00 -2.06 0.00 0.00 37.83 34.43 2k1f s LYS 28 CO 0.01 0.34 -0.05 -1.50 0.10 0.00 0.00 175.35 174.26 2k1f s ILE 29 N -0.89 0.38 0.39 3.79 2.07 -0.20 -4.95 121.20 121.80 2k1f s ILE 29 Ca 0.06 -1.59 -0.24 0.00 -1.41 0.00 0.00 60.65 57.47 2k1f s ILE 29 Cb -0.09 -1.23 -0.09 0.00 0.13 0.00 0.00 42.46 41.18 2k1f s ILE 29 CO 0.02 -0.80 1.01 -0.54 -1.91 0.00 0.00 174.94 172.72 2k1f s LYS 30 N -3.16 4.25 0.24 3.50 -0.14 -1.26 -1.39 119.74 121.78 2k1f s LYS 30 Ca 0.02 1.39 -0.06 0.00 -1.36 0.00 0.00 55.97 55.96 2k1f s LYS 30 Cb 0.02 -2.51 0.42 0.00 -1.68 0.00 0.00 37.83 34.07 2k1f s LYS 30 CO -0.06 -0.04 1.72 0.87 -0.76 0.00 0.00 175.35 177.08 2k1f h LYS 31 N 2.50 0.36 -0.01 1.68 1.79 -1.95 -2.36 116.57 118.57 2k1f h LYS 31 Ca -0.48 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 57.97 2k1f h LYS 31 Cb 1.20 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 2k1f h LYS 31 CO 0.62 0.24 -0.07 -2.39 -1.08 0.00 0.00 179.45 176.77 2k1f n HIS 32 N -5.06 0.00 -3.01 -1.35 1.44 -1.26 -4.15 115.22 101.83 2k1f n HIS 32 Ca 0.13 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.43 2k1f n HIS 32 Cb 0.40 -0.06 -0.05 0.00 0.12 0.00 0.00 29.99 30.39 2k1f n HIS 32 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 2k1f s THR 33 N -2.20 4.89 0.64 0.61 2.01 -0.89 -4.90 115.64 115.80 2k1f s THR 33 Ca 0.35 1.23 -0.13 0.00 0.31 0.00 0.00 61.69 63.45 2k1f s THR 33 Cb 0.21 -4.04 -0.02 0.00 0.01 0.00 0.00 72.50 68.65 2k1f s THR 33 CO 0.41 -0.09 1.05 -2.16 -0.69 0.00 0.00 174.62 173.14 2k1f s PRO 34 N 2.72 3.21 0.19 4.92 0.04 -1.26 -4.71 135.00 140.11 2k1f s PRO 34 Ca 0.30 1.02 -0.10 0.00 0.04 0.00 0.00 61.00 62.26 2k1f s PRO 34 Cb -0.15 -2.03 0.11 0.00 0.04 0.00 0.00 34.50 32.47 2k1f s PRO 34 CO 0.09 -0.88 1.73 -0.07 0.04 0.00 0.00 177.00 177.91 2k1f h LEU 35 N -0.15 0.99 -0.99 -3.56 -0.00 -1.50 -3.00 115.31 107.10 2k1f h LEU 35 Ca -0.45 -0.20 0.34 0.00 -0.00 0.00 0.00 57.88 57.57 2k1f h LEU 35 Cb 1.21 -0.26 -0.16 0.00 -0.00 0.00 0.00 40.66 41.45 2k1f h LEU 35 CO 0.58 0.93 0.46 -0.09 -0.00 0.00 0.00 178.44 180.32 2k1f h ARG 36 N 0.99 0.15 0.00 1.13 2.43 -1.03 0.63 114.38 118.68 2k1f h ARG 36 Ca 0.22 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.33 2k1f h ARG 36 Cb 0.29 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 2k1f h ARG 36 CO -0.01 0.10 -0.24 -0.22 -1.51 0.00 0.00 179.97 178.09 2k1f h LYS 37 N 0.15 0.00 0.08 0.20 1.63 -1.82 -0.17 116.57 116.64 2k1f h LYS 37 Ca 0.74 0.00 -0.24 0.00 -0.85 0.00 0.00 60.65 60.30 2k1f h LYS 37 Cb 1.78 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.40 2k1f h LYS 37 CO -0.71 0.24 -1.24 1.25 -3.45 0.00 0.00 179.45 175.54 2k1f h LEU 38 N 0.00 0.27 -0.25 5.20 6.46 -1.14 -3.25 115.31 122.59 2k1f h LEU 38 Ca -0.00 -0.81 0.03 0.00 -0.12 0.00 0.00 57.88 56.98 2k1f h LEU 38 Cb 0.71 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.52 2k1f h LEU 38 CO 0.03 1.53 0.06 0.24 -0.62 0.00 0.00 178.44 179.69 2k1f h MET 39 N -0.50 0.16 -0.14 1.25 2.86 -0.85 -0.76 114.93 116.95 2k1f h MET 39 Ca -0.28 -0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.25 2k1f h MET 39 Cb 1.60 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 33.21 2k1f h MET 39 CO 0.00 0.11 -0.36 -0.91 1.06 0.00 0.00 176.91 176.81 2k1f h ASN 40 N 0.17 0.30 0.25 1.22 -0.26 -1.23 -2.83 115.58 113.19 2k1f h ASN 40 Ca 0.11 -0.11 -0.10 0.00 -0.56 0.00 0.00 56.30 55.64 2k1f h ASN 40 Cb 0.10 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.27 2k1f h ASN 40 CO -0.14 0.64 -0.39 0.00 -1.06 0.00 0.00 177.43 176.48 2k1f h ALA 41 N 1.38 1.16 0.05 -0.83 0.00 -1.50 -2.97 119.26 116.56 2k1f h ALA 41 Ca 0.03 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.56 2k1f h ALA 41 Cb 0.76 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2k1f h ALA 41 CO 0.06 0.57 -0.19 -0.92 0.00 0.00 0.00 179.25 178.77 2k1f h TYR 42 N 0.17 -0.49 -0.64 0.00 3.20 -0.89 0.11 116.97 118.43 2k1f h TYR 42 Ca 0.02 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.00 2k1f h TYR 42 Cb 0.78 0.21 -0.08 0.00 1.54 0.00 0.00 36.73 39.18 2k1f h TYR 42 CO 0.01 -0.27 0.25 0.00 -1.64 0.00 0.00 178.16 176.51 2k1f h ASP 44 N 0.43 -0.04 -0.04 0.00 3.58 -1.35 -1.12 116.42 117.88 2k1f h ASP 44 Ca 0.33 -0.43 -0.20 0.00 0.42 0.00 0.00 57.03 57.15 2k1f h ASP 44 Cb 0.41 0.01 0.01 0.00 1.72 0.00 0.00 39.33 41.48 2k1f h ASP 44 CO -0.32 0.42 -0.74 0.03 -2.88 0.00 0.00 179.24 175.75 2k1f h ARG 45 N -0.50 0.57 -0.01 0.28 2.47 -0.72 -3.27 114.38 113.20 2k1f h ARG 45 Ca -0.00 -0.56 -0.17 0.00 -1.26 0.00 0.00 59.98 57.99 2k1f h ARG 45 Cb 0.46 0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.91 2k1f h ARG 45 CO 0.01 1.18 -0.75 0.00 0.56 0.00 0.00 179.97 180.97 2k1f h ALA 46 N 0.40 0.72 -2.13 0.04 0.00 -1.17 -3.49 119.26 113.63 2k1f h ALA 46 Ca -0.08 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.17 2k1f h ALA 46 Cb 1.41 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2k1f h ALA 46 CO 0.15 0.88 0.00 0.41 0.00 0.00 0.00 179.25 180.69 2k1f n GLY 47 N 0.61 0.91 3.20 0.00 0.00 -0.58 -5.07 105.19 104.27 2k1f n GLY 47 Ca -0.02 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.13 1.61 0.20 0.99 0.05 -0.53 -5.05 118.68 113.82 2k1f s LEU 48 Ca 0.00 -1.00 -0.15 0.00 0.05 0.00 0.00 54.13 53.03 2k1f s LEU 48 Cb 0.00 0.64 -0.08 0.00 -2.05 0.00 0.00 46.19 44.71 2k1f s LEU 48 CO 0.00 -0.76 0.62 -0.55 -0.55 0.00 0.00 176.35 175.12 2k1f s SER 49 N -2.98 6.86 0.49 1.48 0.15 -1.26 -4.66 113.70 113.79 2k1f s SER 49 Ca 0.17 1.18 0.27 0.00 0.70 0.00 0.00 55.95 58.27 2k1f s SER 49 Cb 0.06 -2.33 1.23 0.00 -1.71 0.00 0.00 66.02 63.27 2k1f s SER 49 CO -0.02 0.02 1.96 -0.03 1.20 0.00 0.00 173.24 176.37 2k1f h MET 50 N 3.24 0.00 -0.01 5.44 4.05 -1.96 -3.08 114.93 122.61 2k1f h MET 50 Ca -0.48 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.94 2k1f h MET 50 Cb 1.19 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.99 2k1f h MET 50 CO 0.66 0.16 0.01 1.96 0.23 0.00 0.00 176.91 179.93 2k1f h GLN 51 N 0.00 0.00 -0.02 0.39 4.20 -2.02 -2.18 115.11 115.47 2k1f h GLN 51 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2k1f h GLN 51 Cb 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 2k1f h GLN 51 CO 0.02 0.00 -0.01 1.33 -0.67 0.00 0.00 178.83 179.50 2k1f n VAL 52 N -4.17 0.00 -3.87 -0.54 0.24 -1.16 -4.77 118.33 104.05 2k1f n VAL 52 Ca -0.03 -0.41 -0.35 0.00 -2.04 0.00 0.00 64.34 61.51 2k1f n VAL 52 Cb 0.10 1.16 -0.13 0.00 -1.47 0.00 0.00 33.84 33.50 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 -2.01 3.09 -0.27 3.34 1.01 -0.82 -3.80 120.40 120.94 2k1f s VAL 53 Ca 0.31 -1.51 0.02 0.00 0.00 0.00 0.00 61.98 60.80 2k1f s VAL 53 Cb 0.20 -2.85 0.07 0.00 0.00 0.00 0.00 36.38 33.81 2k1f s VAL 53 CO 0.32 -0.23 -0.04 -0.13 0.00 0.00 0.00 175.10 175.02 2k1f s ARG 54 N 1.24 1.70 0.06 2.72 1.81 0.13 -4.93 118.95 121.67 2k1f s ARG 54 Ca -0.02 -1.27 0.04 0.00 -1.72 0.00 0.00 55.73 52.76 2k1f s ARG 54 Cb -0.20 -2.74 -0.04 0.00 -0.45 0.00 0.00 34.95 31.51 2k1f s ARG 54 CO -0.01 -0.69 -0.02 -0.59 -0.68 0.00 0.00 175.30 173.31 2k1f s PHE 55 N 1.23 2.97 0.02 -0.53 -0.12 -1.26 -0.29 117.98 120.00 2k1f s PHE 55 Ca -0.02 -0.02 0.04 0.00 -0.05 0.00 0.00 56.93 56.87 2k1f s PHE 55 Cb -0.19 -1.57 -0.02 0.00 -0.63 0.00 0.00 43.02 40.62 2k1f s PHE 55 CO -0.08 0.45 -0.11 1.03 -0.05 0.00 0.00 175.22 176.47 2k1f s ARG 56 N -1.99 0.76 -0.19 1.99 3.00 -0.12 -4.56 118.95 117.85 2k1f s ARG 56 Ca 0.23 -0.59 0.01 0.00 0.00 0.00 0.00 55.73 55.37 2k1f s ARG 56 Cb -0.11 -0.72 0.04 0.00 0.00 0.00 0.00 34.95 34.16 2k1f s ARG 56 CO 0.14 0.18 -0.11 0.12 0.00 0.00 0.00 175.30 175.63 2k1f s PHE 57 N -0.71 2.40 -1.89 -0.53 5.36 0.13 -1.50 117.98 121.23 2k1f s PHE 57 Ca 0.00 -1.54 0.00 0.00 -0.96 0.00 0.00 56.93 54.44 2k1f s PHE 57 Cb -0.07 -1.65 0.00 0.00 -0.34 0.00 0.00 43.02 40.97 2k1f s PHE 57 CO 0.01 -0.73 0.00 -3.47 -1.46 0.00 0.00 175.22 169.56 2k1f n ASP 58 N 4.69 -5.71 0.00 6.13 2.03 -1.26 -1.39 116.55 121.04 2k1f n ASP 58 Ca -0.15 0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2k1f n ASP 58 Cb 0.47 -4.84 0.00 0.00 -0.72 0.00 0.00 41.12 36.03 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 -0.81 3.06 3.92 0.27 0.00 -1.26 -5.05 105.19 105.32 2k1f n GLY 59 Ca -0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.31 3.55 0.54 1.61 1.11 -0.49 -4.98 119.66 120.69 2k1f s GLN 60 Ca 0.00 0.03 -0.19 0.00 0.01 0.00 0.00 55.36 55.21 2k1f s GLN 60 Cb 0.00 -2.49 -0.06 0.00 -1.01 0.00 0.00 33.01 29.45 2k1f s GLN 60 CO 0.00 -0.04 1.10 -1.25 0.01 0.00 0.00 175.29 175.11 2k1f s PRO 61 N -4.44 3.44 0.33 2.91 0.04 -1.26 0.20 135.00 136.22 2k1f s PRO 61 Ca 0.45 1.52 0.08 0.00 0.04 0.00 0.00 61.00 63.09 2k1f s PRO 61 Cb -0.10 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 2k1f s PRO 61 CO 0.40 -0.76 0.25 -1.50 0.04 0.00 0.00 177.00 175.43 2k1f s ILE 62 N -1.87 3.56 0.17 0.56 2.07 -1.26 -4.78 121.20 119.65 2k1f s ILE 62 Ca 0.71 -1.43 0.10 0.00 -1.41 0.00 0.00 60.65 58.62 2k1f s ILE 62 Cb -0.22 -3.17 -0.04 0.00 0.13 0.00 0.00 42.46 39.16 2k1f s ILE 62 CO 0.26 -0.20 -0.18 0.20 -1.91 0.00 0.00 174.94 173.12 2k1f s ASN 63 N -3.95 3.82 0.00 4.50 -0.87 -1.26 -5.06 114.94 112.12 2k1f s ASN 63 Ca 0.39 -0.69 0.16 0.00 -1.57 0.00 0.00 52.86 51.15 2k1f s ASN 63 Cb -0.06 -0.48 -0.00 0.00 -0.02 0.00 0.00 41.25 40.69 2k1f s ASN 63 CO 0.26 0.13 0.84 -1.84 -2.57 0.00 0.00 177.10 173.92 2k1f n GLU 64 N 0.31 1.70 0.06 -0.60 0.28 -1.26 -4.72 120.64 116.41 2k1f n GLU 64 Ca -0.13 -0.80 -0.15 0.00 -0.16 0.00 0.00 57.16 55.92 2k1f n GLU 64 Cb 0.55 -1.26 -0.07 0.00 1.43 0.00 0.00 31.44 32.09 2k1f n GLU 64 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 2k1f h ASN 65 N 1.76 0.64 -4.01 -1.84 2.35 -1.97 0.13 115.58 112.64 2k1f h ASN 65 Ca 0.00 -0.52 -0.46 0.00 -0.55 0.00 0.00 56.30 54.77 2k1f h ASN 65 Cb 0.53 -0.20 0.15 0.00 0.05 0.00 0.00 38.32 38.86 2k1f h ASN 65 CO 0.00 1.32 0.23 -1.81 -1.65 0.00 0.00 177.43 175.52 2k1f s ASP 66 N -7.15 3.01 0.25 5.81 1.11 -1.26 -4.67 116.67 113.76 2k1f s ASP 66 Ca -0.07 1.15 -0.15 0.00 0.18 0.00 0.00 52.55 53.67 2k1f s ASP 66 Cb 0.08 -1.79 -0.08 0.00 1.07 0.00 0.00 42.92 42.20 2k1f s ASP 66 CO 0.88 -2.89 0.66 0.42 1.18 0.00 0.00 175.17 175.42 2k1f s THR 67 N -3.06 4.75 -1.70 -1.27 -4.23 -1.26 -3.20 115.64 105.67 2k1f s THR 67 Ca 0.65 0.89 0.22 0.00 -1.18 0.00 0.00 61.69 62.26 2k1f s THR 67 Cb -0.17 -3.69 0.50 0.00 1.34 0.00 0.00 72.50 70.47 2k1f s THR 67 CO 0.56 0.01 1.69 -0.81 -0.54 0.00 0.00 174.62 175.53 2k1f n PRO 68 N 0.14 0.49 0.22 3.99 -0.04 -1.26 -3.55 135.00 134.99 2k1f n PRO 68 Ca -0.00 0.05 0.08 0.00 -0.04 0.00 0.00 63.50 63.58 2k1f n PRO 68 Cb 0.52 -1.50 0.50 0.00 -0.04 0.00 0.00 33.50 32.98 2k1f n PRO 68 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k1f h THR 69 N 0.00 0.82 0.00 0.52 1.03 -1.94 -2.84 112.91 110.50 2k1f h THR 69 Ca 0.00 -1.03 0.00 0.00 -0.01 0.00 0.00 66.41 65.37 2k1f h THR 69 Cb 0.11 1.63 0.00 0.00 -1.07 0.00 0.00 68.15 68.81 2k1f h THR 69 CO 0.00 0.25 0.00 -1.20 -0.01 0.00 0.00 175.52 174.56 2k1f n SER 70 N -3.70 0.00 0.04 0.00 7.64 -1.23 -3.05 113.62 113.31 2k1f n SER 70 Ca -0.01 -0.63 0.03 0.00 1.01 0.00 0.00 58.87 59.27 2k1f n SER 70 Cb 0.37 -0.07 -0.07 0.00 -1.01 0.00 0.00 64.21 63.43 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 -1.07 0.78 -3.53 -3.43 7.94 -1.07 -5.05 117.00 111.57 2k1f n LEU 71 Ca 0.18 0.33 -0.26 0.00 -1.11 0.00 0.00 56.01 55.14 2k1f n LEU 71 Cb 0.12 0.06 0.02 0.00 0.53 0.00 0.00 43.42 44.14 2k1f n LEU 71 CO 0.16 0.08 -0.17 -0.62 -1.11 0.00 0.00 177.39 175.72 2k1f n GLU 72 N -2.81 -1.75 0.00 1.96 1.02 -1.17 -4.98 120.64 112.91 2k1f n GLU 72 Ca -0.08 1.21 0.00 0.00 -0.02 0.00 0.00 57.16 58.26 2k1f n GLU 72 Cb 0.78 -2.83 0.00 0.00 -0.02 0.00 0.00 31.44 29.37 2k1f n GLU 72 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 2k1f n MET 73 N -1.40 2.51 0.00 3.49 1.56 -1.26 -5.08 117.12 116.94 2k1f n MET 73 Ca -0.16 -0.12 0.00 0.00 -0.27 0.00 0.00 57.70 57.15 2k1f n MET 73 Cb 0.65 -0.51 0.00 0.00 2.15 0.00 0.00 33.22 35.51 2k1f n MET 73 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 2k1f n GLU 74 N -0.39 0.00 -3.82 2.12 2.13 -1.26 -4.84 120.64 114.58 2k1f n GLU 74 Ca 0.00 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.74 2k1f n GLU 74 Cb 0.03 0.00 0.01 0.00 0.27 0.00 0.00 31.44 31.76 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 0.00 2.11 0.00 5.31 -1.05 -1.26 -4.88 118.70 118.94 2k1f s GLU 75 Ca 0.00 -1.32 0.00 0.00 -0.15 0.00 0.00 54.97 53.50 2k1f s GLU 75 Cb 0.00 0.62 0.00 0.00 -0.44 0.00 0.00 34.13 34.31 2k1f s GLU 75 CO 0.00 -0.99 0.00 0.41 0.95 0.00 0.00 175.26 175.63 2k1f n GLY 76 N -0.52 0.86 3.71 -3.83 0.00 0.17 -4.98 105.19 100.59 2k1f n GLY 76 Ca -0.07 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.90 7.12 -0.66 1.61 2.15 -1.24 -4.74 116.67 118.01 2k1f s ASP 77 Ca 0.00 1.93 -0.05 0.00 0.43 0.00 0.00 52.55 54.85 2k1f s ASP 77 Cb 0.00 -2.57 0.17 0.00 -0.30 0.00 0.00 42.92 40.22 2k1f s ASP 77 CO 0.00 -0.46 0.50 0.42 -0.17 0.00 0.00 175.17 175.46 2k1f s THR 78 N 1.25 4.10 -0.08 1.71 -4.23 -1.26 -0.34 115.64 116.79 2k1f s THR 78 Ca 0.57 -2.83 -0.05 0.00 -1.18 0.00 0.00 61.69 58.21 2k1f s THR 78 Cb -0.27 -3.64 -0.04 0.00 1.34 0.00 0.00 72.50 69.89 2k1f s THR 78 CO 0.28 -0.90 0.11 -0.51 -0.54 0.00 0.00 174.62 173.06 2k1f s ILE 79 N 0.03 5.18 0.10 2.99 2.07 -0.84 -4.59 121.20 126.14 2k1f s ILE 79 Ca 0.17 -0.01 0.05 0.00 -1.41 0.00 0.00 60.65 59.45 2k1f s ILE 79 Cb -0.18 -3.28 -0.04 0.00 0.13 0.00 0.00 42.46 39.09 2k1f s ILE 79 CO -0.04 0.54 -0.00 -1.83 -1.91 0.00 0.00 174.94 171.69 2k1f s GLU 80 N -1.23 2.52 -0.07 3.50 4.04 -0.57 -0.69 118.70 126.22 2k1f s GLU 80 Ca 0.17 -0.86 -0.03 0.00 0.04 0.00 0.00 54.97 54.29 2k1f s GLU 80 Cb -0.12 -2.52 0.04 0.00 0.02 0.00 0.00 34.13 31.55 2k1f s GLU 80 CO 0.07 0.53 0.15 0.54 -1.84 0.00 0.00 175.26 174.71 2k1f s VAL 81 N -1.34 -0.05 -0.18 1.83 0.11 -0.44 -0.94 120.40 119.39 2k1f s VAL 81 Ca 0.26 0.17 -0.26 0.00 -2.93 0.00 0.00 61.98 59.22 2k1f s VAL 81 Cb -0.11 -0.25 -0.01 0.00 -1.53 0.00 0.00 36.38 34.48 2k1f s VAL 81 CO 0.18 0.07 0.85 -0.47 -3.33 0.00 0.00 175.10 172.41 2k1f s TYR 82 N 1.14 3.40 0.04 1.54 5.04 0.60 -0.34 117.35 128.78 2k1f s TYR 82 Ca -0.09 1.27 0.06 0.00 -2.44 0.00 0.00 57.07 55.87 2k1f s TYR 82 Cb -0.11 -3.04 -0.02 0.00 0.35 0.00 0.00 41.96 39.13 2k1f s TYR 82 CO -0.06 -0.28 -0.17 -0.65 -1.34 0.00 0.00 175.55 173.05 2k1f s GLN 83 N 2.32 1.15 0.21 4.97 -0.21 -1.26 -0.70 119.66 126.15 2k1f s GLN 83 Ca 0.39 -0.84 -0.30 0.00 0.02 0.00 0.00 55.36 54.62 2k1f s GLN 83 Cb -0.16 -1.21 -0.08 0.00 1.00 0.00 0.00 33.01 32.55 2k1f s GLN 83 CO 0.11 0.31 1.03 1.14 -2.12 0.00 0.00 175.29 175.76 2k1f s GLN 84 N -1.15 4.71 0.48 2.91 -2.07 -1.25 -4.37 119.66 118.93 2k1f s GLN 84 Ca 0.04 1.62 -0.21 0.00 -1.82 0.00 0.00 55.36 55.00 2k1f s GLN 84 Cb -0.08 -3.27 -0.08 0.00 -1.09 0.00 0.00 33.01 28.48 2k1f s GLN 84 CO 0.01 0.27 1.05 -0.65 -1.32 0.00 0.00 175.29 174.65 2k1f s GLN 85 N -0.83 3.81 0.00 9.60 -0.21 -1.26 -5.03 119.66 125.74 2k1f s GLN 85 Ca 0.45 1.39 0.00 0.00 0.02 0.00 0.00 55.36 57.22 2k1f s GLN 85 Cb -0.28 -2.13 0.00 0.00 1.00 0.00 0.00 33.01 31.60 2k1f s GLN 85 CO 0.35 -0.43 0.00 2.41 -2.12 0.00 0.00 175.29 175.50 2k1f n THR 86 N -0.89 0.00 0.00 -0.19 -1.04 -1.26 -5.13 114.28 105.76 2k1f n THR 86 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 2k1f n THR 86 Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 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 0.55 -1.84 2.80 3.41 0.00 -1.26 -5.33 105.19 103.52 2k1f n GLY 87 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 46.02 46.86 2k1f n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93