#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 -3.91 7.83 7.64 -1.26 -4.30 113.62 119.62 2k1f n SER 2 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 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 -0.67 -3.01 0.00 0.00 175.04 171.36 2k1f n ASP 3 N 1.54 4.54 0.00 6.43 2.03 -1.26 -4.92 116.55 124.92 2k1f n ASP 3 Ca 0.00 -2.96 0.00 0.00 0.52 0.00 0.00 54.79 52.35 2k1f n ASP 3 Cb 0.00 -1.59 0.00 0.00 -0.72 0.00 0.00 41.12 38.81 2k1f n ASP 3 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2k1f n GLU 4 N 5.40 0.00 0.00 -0.67 2.13 -1.26 -4.82 120.64 121.42 2k1f n GLU 4 Ca 0.46 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.28 2k1f n GLU 4 Cb 0.39 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.10 2k1f n GLU 4 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2k1f n LYS 5 N 0.00 0.00 -3.26 5.31 4.81 -1.26 -0.05 118.16 123.72 2k1f n LYS 5 Ca 0.00 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.13 2k1f n LYS 5 Cb 0.00 -1.19 -0.05 0.00 0.02 0.00 0.00 35.03 33.81 2k1f n LYS 5 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 2k1f s LYS 6 N -0.10 3.80 0.01 1.64 0.00 -1.26 -4.99 119.74 118.84 2k1f s LYS 6 Ca 0.00 0.33 0.11 0.00 0.00 0.00 0.00 55.97 56.40 2k1f s LYS 6 Cb 0.00 -2.56 -0.22 0.00 0.00 0.00 0.00 37.83 35.04 2k1f s LYS 6 CO 0.00 0.21 0.87 0.78 0.00 0.00 0.00 175.35 177.21 2k1f h GLY 7 N 2.11 0.00 -2.80 0.59 0.00 -2.04 -3.48 103.07 97.45 2k1f h GLY 7 Ca -0.47 -0.01 -0.12 0.00 0.00 0.00 0.00 47.33 46.73 2k1f h GLY 7 CO 0.67 0.01 -0.39 -0.32 0.00 0.00 0.00 176.54 176.51 2k1f s GLY 8 N -4.98 0.54 0.17 4.60 0.00 -1.26 -5.08 107.32 101.32 2k1f s GLY 8 Ca -0.03 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 43.71 2k1f s GLY 8 CO 0.82 -0.94 0.00 -2.21 0.00 0.00 0.00 173.10 170.78 2k1f n GLU 9 N -0.18 0.00 -1.81 2.90 2.13 -1.26 -5.16 120.64 117.27 2k1f n GLU 9 Ca -0.08 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.74 2k1f n GLU 9 Cb 0.63 -0.31 0.00 0.00 0.27 0.00 0.00 31.44 32.03 2k1f n GLU 9 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2k1f n THR 10 N -3.50 0.00 -1.68 6.31 -1.04 -1.26 -5.13 114.28 107.99 2k1f n THR 10 Ca 0.00 -0.06 -0.43 0.00 -2.04 0.00 0.00 64.05 61.52 2k1f n THR 10 Cb 0.00 0.10 -0.03 0.00 -1.82 0.00 0.00 70.33 68.58 2k1f n THR 10 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2k1f n GLU 11 N -0.10 2.76 -3.69 -2.82 4.07 -1.26 -4.98 120.64 114.63 2k1f n GLU 11 Ca -0.00 1.01 -0.11 0.00 -0.06 0.00 0.00 57.16 58.00 2k1f n GLU 11 Cb 0.08 -2.93 -0.06 0.00 -0.06 0.00 0.00 31.44 28.47 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 3.62 -0.15 0.14 4.31 -3.43 -1.26 -1.59 115.29 116.94 2k1f s HIS 12 Ca 0.86 -0.09 0.01 0.00 -0.80 0.00 0.00 55.06 55.04 2k1f s HIS 12 Cb -0.48 0.18 -0.04 0.00 -1.43 0.00 0.00 32.58 30.80 2k1f s HIS 12 CO 0.41 -0.62 0.01 0.96 -2.00 0.00 0.00 174.74 173.50 2k1f s ILE 13 N -3.32 0.46 0.08 -5.38 -4.36 -0.92 -4.91 121.20 102.86 2k1f s ILE 13 Ca 0.00 -1.94 0.03 0.00 -0.26 0.00 0.00 60.65 58.48 2k1f s ILE 13 Cb 0.01 -2.01 -0.04 0.00 1.25 0.00 0.00 42.46 41.67 2k1f s ILE 13 CO -0.08 -0.54 0.11 0.20 0.24 0.00 0.00 174.94 174.86 2k1f s ASN 14 N -3.10 5.70 0.01 4.36 0.01 -1.26 -0.67 114.94 119.98 2k1f s ASN 14 Ca 0.22 0.03 0.08 0.00 -0.71 0.00 0.00 52.86 52.48 2k1f s ASN 14 Cb 0.07 -1.58 -0.03 0.00 0.41 0.00 0.00 41.25 40.12 2k1f s ASN 14 CO 0.01 0.16 -0.23 -0.76 -1.51 0.00 0.00 177.10 174.77 2k1f s LEU 15 N -2.49 2.29 -0.14 0.60 1.02 -0.22 -1.42 118.68 118.32 2k1f s LEU 15 Ca 0.31 -0.47 -0.06 0.00 0.02 0.00 0.00 54.13 53.92 2k1f s LEU 15 Cb -0.12 -1.38 -0.04 0.00 0.02 0.00 0.00 46.19 44.67 2k1f s LEU 15 CO 0.23 0.29 0.07 -0.54 0.02 0.00 0.00 176.35 176.42 2k1f s LYS 16 N -1.04 3.61 -0.31 1.70 1.02 0.10 -1.52 119.74 123.30 2k1f s LYS 16 Ca 0.12 -0.30 -0.07 0.00 0.02 0.00 0.00 55.97 55.74 2k1f s LYS 16 Cb -0.10 -3.12 0.01 0.00 -0.52 0.00 0.00 37.83 34.11 2k1f s LYS 16 CO 0.02 0.51 0.10 0.08 -0.92 0.00 0.00 175.35 175.14 2k1f s VAL 17 N -0.30 4.03 -0.87 3.17 1.01 0.37 -1.52 120.40 126.30 2k1f s VAL 17 Ca 0.09 -0.77 -0.20 0.00 0.00 0.00 0.00 61.98 61.10 2k1f s VAL 17 Cb -0.12 -3.13 0.10 0.00 0.00 0.00 0.00 36.38 33.24 2k1f s VAL 17 CO 0.01 0.00 1.13 -0.76 0.00 0.00 0.00 175.10 175.48 2k1f s LEU 18 N 1.49 4.66 -0.19 3.92 1.02 0.09 -2.55 118.68 127.13 2k1f s LEU 18 Ca 0.02 -1.68 -0.29 0.00 0.02 0.00 0.00 54.13 52.20 2k1f s LEU 18 Cb -0.18 -2.43 0.00 0.00 0.02 0.00 0.00 46.19 43.61 2k1f s LEU 18 CO 0.03 -1.23 1.05 -0.83 0.02 0.00 0.00 176.35 175.39 2k1f s GLY 19 N 3.82 1.89 0.44 -3.19 0.00 -1.26 -0.80 107.32 108.21 2k1f s GLY 19 Ca 0.32 0.26 0.30 0.00 0.00 0.00 0.00 44.72 45.60 2k1f s GLY 19 CO -0.04 2.13 1.91 -1.61 0.00 0.00 0.00 173.10 175.49 2k1f h GLN 20 N 7.39 0.00 -0.13 2.90 4.15 -1.53 -0.56 115.11 127.32 2k1f h GLN 20 Ca -0.23 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.19 2k1f h GLN 20 Cb 1.09 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.78 2k1f h GLN 20 CO 0.94 0.00 0.00 -0.40 -1.93 0.00 0.00 178.83 177.44 2k1f n ASP 21 N -2.70 0.48 0.00 -0.69 5.75 -1.26 -4.87 116.55 113.26 2k1f n ASP 21 Ca 0.00 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.78 2k1f n ASP 21 Cb 0.22 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 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 -0.25 -2.19 -3.80 -1.12 4.13 -0.22 -4.98 115.26 106.83 2k1f n ASN 22 Ca 0.03 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.86 2k1f n ASN 22 Cb 0.08 -0.37 0.00 0.00 -1.54 0.00 0.00 39.78 37.96 2k1f n ASN 22 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k1f n ALA 23 N 0.94 5.45 -2.06 5.41 0.00 -1.21 -4.94 120.51 124.10 2k1f n ALA 23 Ca 0.00 -4.10 -0.41 0.00 0.00 0.00 0.00 53.44 48.94 2k1f n ALA 23 Cb 0.00 -3.26 -0.04 0.00 0.00 0.00 0.00 19.45 16.14 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 1.81 4.07 0.05 0.00 1.01 -1.26 -4.11 120.40 121.97 2k1f s VAL 24 Ca 0.43 1.83 -0.02 0.00 0.00 0.00 0.00 61.98 64.22 2k1f s VAL 24 Cb 0.12 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 2k1f s VAL 24 CO -0.04 0.33 0.01 0.54 0.00 0.00 0.00 175.10 175.94 2k1f s VAL 25 N -0.37 0.20 0.03 2.92 0.11 -1.06 -4.99 120.40 117.24 2k1f s VAL 25 Ca 0.47 -1.63 -0.07 0.00 -2.93 0.00 0.00 61.98 57.82 2k1f s VAL 25 Cb -0.27 -1.39 -0.00 0.00 -1.53 0.00 0.00 36.38 33.19 2k1f s VAL 25 CO 0.33 -0.90 0.14 0.00 -3.33 0.00 0.00 175.10 171.35 2k1f s GLN 26 N -3.70 0.60 0.04 1.54 1.03 -1.26 -0.48 119.66 117.43 2k1f s GLN 26 Ca 0.05 -0.61 -0.19 0.00 0.04 0.00 0.00 55.36 54.64 2k1f s GLN 26 Cb 0.06 0.24 0.04 0.00 0.03 0.00 0.00 33.01 33.38 2k1f s GLN 26 CO -0.09 -0.16 0.43 -0.59 -2.54 0.00 0.00 175.29 172.34 2k1f s PHE 27 N -2.26 -0.30 -0.13 9.60 -0.12 -0.58 -5.01 117.98 119.19 2k1f s PHE 27 Ca -0.08 0.29 -0.13 0.00 -0.05 0.00 0.00 56.93 56.96 2k1f s PHE 27 Cb -0.03 0.24 -0.05 0.00 -0.63 0.00 0.00 43.02 42.55 2k1f s PHE 27 CO -0.03 -0.58 0.30 -1.59 -0.05 0.00 0.00 175.22 173.28 2k1f s LYS 28 N -2.39 4.13 0.01 1.99 -2.85 -1.26 -1.05 119.74 118.32 2k1f s LYS 28 Ca -0.06 0.13 0.04 0.00 -1.00 0.00 0.00 55.97 55.09 2k1f s LYS 28 Cb -0.01 -3.37 -0.03 0.00 -2.06 0.00 0.00 37.83 32.35 2k1f s LYS 28 CO -0.02 0.35 -0.10 -1.50 0.10 0.00 0.00 175.35 174.19 2k1f s ILE 29 N 0.11 3.42 -0.10 3.79 2.07 0.15 -4.99 121.20 125.65 2k1f s ILE 29 Ca 0.18 -0.88 -0.29 0.00 -1.41 0.00 0.00 60.65 58.24 2k1f s ILE 29 Cb -0.13 -2.48 -0.01 0.00 0.13 0.00 0.00 42.46 39.97 2k1f s ILE 29 CO 0.05 0.38 1.00 -0.75 -1.91 0.00 0.00 174.94 173.71 2k1f s LYS 30 N -1.42 4.42 0.00 3.50 2.47 -1.26 -2.16 119.74 125.29 2k1f s LYS 30 Ca 0.16 1.38 0.23 0.00 -1.56 0.00 0.00 55.97 56.19 2k1f s LYS 30 Cb -0.11 -3.54 1.11 0.00 -1.46 0.00 0.00 37.83 33.83 2k1f s LYS 30 CO 0.07 -0.31 1.77 1.17 0.16 0.00 0.00 175.35 178.21 2k1f n LYS 31 N 4.98 0.21 -0.05 4.03 4.81 -0.62 -2.17 118.16 129.35 2k1f n LYS 31 Ca 0.08 0.08 -0.12 0.00 -0.87 0.00 0.00 58.31 57.48 2k1f n LYS 31 Cb 0.49 -1.50 -0.06 0.00 0.02 0.00 0.00 35.03 33.97 2k1f n LYS 31 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2k1f h HIS 32 N 0.00 0.29 -3.83 5.64 3.86 -1.93 -3.39 115.15 115.80 2k1f h HIS 32 Ca 0.00 -0.06 -0.50 0.00 -1.16 0.00 0.00 60.37 58.65 2k1f h HIS 32 Cb 0.29 -0.07 0.02 0.00 1.06 0.00 0.00 27.41 28.70 2k1f h HIS 32 CO 0.00 0.53 0.47 0.95 0.86 0.00 0.00 177.93 180.74 2k1f s THR 33 N -4.84 3.49 1.05 2.45 -4.23 -0.92 -4.82 115.64 107.81 2k1f s THR 33 Ca -0.14 1.46 -0.15 0.00 -1.18 0.00 0.00 61.69 61.68 2k1f s THR 33 Cb 0.05 -3.91 0.21 0.00 1.34 0.00 0.00 72.50 70.20 2k1f s THR 33 CO 0.72 0.32 1.12 -2.16 -0.54 0.00 0.00 174.62 174.07 2k1f s PRO 34 N -1.57 0.01 0.26 3.99 0.04 -1.26 -4.70 135.00 131.77 2k1f s PRO 34 Ca 0.46 0.24 0.12 0.00 0.04 0.00 0.00 61.00 61.86 2k1f s PRO 34 Cb -0.31 -1.71 0.27 0.00 0.04 0.00 0.00 34.50 32.79 2k1f s PRO 34 CO 0.40 -2.95 1.55 -0.07 0.04 0.00 0.00 177.00 175.96 2k1f h LEU 35 N -2.04 0.00 -0.73 -3.56 -0.00 -1.87 -3.37 115.31 103.74 2k1f h LEU 35 Ca -0.51 0.00 0.16 0.00 -0.00 0.00 0.00 57.88 57.54 2k1f h LEU 35 Cb 1.32 0.00 -0.12 0.00 -0.00 0.00 0.00 40.66 41.86 2k1f h LEU 35 CO 0.50 0.64 0.08 -0.09 -0.00 0.00 0.00 178.44 179.57 2k1f h ARG 36 N 0.00 0.16 -0.39 1.13 2.43 -1.94 0.45 114.38 116.23 2k1f h ARG 36 Ca -0.01 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 2k1f h ARG 36 Cb 1.24 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.73 2k1f h ARG 36 CO 0.08 0.11 0.10 -0.22 -1.51 0.00 0.00 179.97 178.53 2k1f h LYS 37 N 0.17 0.57 -0.00 0.20 3.11 -1.99 -1.53 116.57 117.11 2k1f h LYS 37 Ca 0.41 -0.09 -0.03 0.00 -2.81 0.00 0.00 60.65 58.13 2k1f h LYS 37 Cb 0.71 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.84 2k1f h LYS 37 CO -0.58 0.52 -0.10 1.25 -2.81 0.00 0.00 179.45 177.73 2k1f h LEU 38 N 0.56 0.09 0.02 5.20 6.46 -1.44 -3.10 115.31 123.11 2k1f h LEU 38 Ca 0.13 -0.78 0.01 0.00 -0.12 0.00 0.00 57.88 57.12 2k1f h LEU 38 Cb 0.21 -0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.07 2k1f h LEU 38 CO -0.00 0.86 -0.36 0.24 -0.62 0.00 0.00 178.44 178.56 2k1f h MET 39 N -0.67 -0.45 0.00 1.25 2.86 -0.77 -0.41 114.93 116.75 2k1f h MET 39 Ca -0.01 0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.57 2k1f h MET 39 Cb 0.88 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.62 2k1f h MET 39 CO 0.02 -0.30 -0.43 -0.91 1.06 0.00 0.00 176.91 176.36 2k1f h ASN 40 N -0.46 0.00 -0.39 1.22 2.35 -1.47 -1.33 115.58 115.50 2k1f h ASN 40 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 2k1f h ASN 40 Cb 0.49 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 2k1f h ASN 40 CO -0.22 0.43 0.14 0.00 -1.65 0.00 0.00 177.43 176.13 2k1f h ALA 41 N 1.57 0.50 -0.69 -0.83 0.00 -1.45 -0.96 119.26 117.40 2k1f h ALA 41 Ca -0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2k1f h ALA 41 Cb 0.92 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2k1f h ALA 41 CO 0.06 0.12 0.34 1.88 0.00 0.00 0.00 179.25 181.65 2k1f h TYR 42 N 0.48 0.98 0.29 0.00 -1.99 -0.53 0.12 116.97 116.31 2k1f h TYR 42 Ca 0.13 -0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.82 2k1f h TYR 42 Cb 0.21 -0.31 -0.03 0.00 2.00 0.00 0.00 36.73 38.60 2k1f h TYR 42 CO 0.00 0.73 -0.40 0.00 -0.00 0.00 0.00 178.16 178.49 2k1f h ASP 44 N -0.74 0.00 1.72 0.00 3.32 -1.11 0.17 116.42 119.78 2k1f h ASP 44 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2k1f h ASP 44 Cb 0.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.25 2k1f h ASP 44 CO -0.13 0.49 -0.24 0.03 -1.72 0.00 0.00 179.24 177.67 2k1f h ARG 45 N 0.00 0.00 0.13 3.56 2.47 -0.79 -3.32 114.38 116.42 2k1f h ARG 45 Ca -0.00 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.42 2k1f h ARG 45 Cb 1.18 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.49 2k1f h ARG 45 CO 0.06 0.00 -1.54 0.00 0.56 0.00 0.00 179.97 179.05 2k1f h ALA 46 N 2.04 0.20 0.00 0.04 0.00 -1.20 -3.50 119.26 116.84 2k1f h ALA 46 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 53.77 2k1f h ALA 46 Cb 0.98 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2k1f h ALA 46 CO 0.00 0.91 0.00 0.41 0.00 0.00 0.00 179.25 180.57 2k1f n GLY 47 N 1.78 0.91 3.30 0.00 0.00 0.49 -5.09 105.19 106.57 2k1f n GLY 47 Ca -0.26 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 1.54 0.03 0.99 0.05 -0.56 -4.61 118.68 116.12 2k1f s LEU 48 Ca 0.00 -1.46 0.08 0.00 0.05 0.00 0.00 54.13 52.81 2k1f s LEU 48 Cb 0.00 0.18 -0.03 0.00 -2.05 0.00 0.00 46.19 44.29 2k1f s LEU 48 CO 0.00 -0.82 -0.24 -0.44 -0.55 0.00 0.00 176.35 174.30 2k1f s SER 49 N -3.30 3.34 0.46 1.48 0.01 -1.26 -4.47 113.70 109.95 2k1f s SER 49 Ca 0.37 -0.51 0.22 0.00 1.31 0.00 0.00 55.95 57.34 2k1f s SER 49 Cb 0.06 -0.40 1.12 0.00 0.21 0.00 0.00 66.02 67.01 2k1f s SER 49 CO 0.15 0.27 1.95 -0.03 0.41 0.00 0.00 173.24 175.99 2k1f h MET 50 N 4.88 0.00 -0.59 12.44 4.05 -1.98 -2.93 114.93 130.79 2k1f h MET 50 Ca -0.46 0.00 0.12 0.00 -0.28 0.00 0.00 59.70 59.08 2k1f h MET 50 Cb 1.14 0.00 -0.10 0.00 -0.80 0.00 0.00 31.60 31.84 2k1f h MET 50 CO 0.45 0.22 -0.05 1.96 0.23 0.00 0.00 176.91 179.72 2k1f h GLN 51 N 0.00 0.07 0.06 0.39 1.08 -2.03 -3.16 115.11 111.52 2k1f h GLN 51 Ca -0.00 -0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 56.92 2k1f h GLN 51 Cb 0.50 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.89 2k1f h GLN 51 CO 0.03 0.05 -1.39 -0.39 -0.95 0.00 0.00 178.83 176.18 2k1f h VAL 52 N 0.08 1.28 -2.76 -0.54 -1.51 -1.86 -3.44 116.25 107.50 2k1f h VAL 52 Ca 0.30 -2.99 -0.55 0.00 -1.23 0.00 0.00 66.70 62.23 2k1f h VAL 52 Cb 0.48 2.73 -0.02 0.00 -2.13 0.00 0.00 31.29 32.35 2k1f h VAL 52 CO -0.54 0.80 0.98 -0.69 -1.23 0.00 0.00 177.57 176.90 2k1f s VAL 53 N -2.64 3.84 -0.40 7.19 1.01 -1.16 -4.64 120.40 123.59 2k1f s VAL 53 Ca -0.05 1.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.97 2k1f s VAL 53 Cb 0.08 -3.68 0.11 0.00 0.00 0.00 0.00 36.38 32.89 2k1f s VAL 53 CO 0.84 -0.08 0.19 -0.13 0.00 0.00 0.00 175.10 175.92 2k1f s ARG 54 N 3.58 1.93 -0.02 2.72 1.81 -0.04 -4.88 118.95 124.05 2k1f s ARG 54 Ca 0.65 -1.85 -0.02 0.00 -1.72 0.00 0.00 55.73 52.79 2k1f s ARG 54 Cb -0.29 -3.53 -0.04 0.00 -0.45 0.00 0.00 34.95 30.64 2k1f s ARG 54 CO 0.24 -1.06 0.13 -0.59 -0.68 0.00 0.00 175.30 173.35 2k1f s PHE 55 N 1.07 3.44 0.01 -0.53 -0.71 -1.26 -0.87 117.98 119.13 2k1f s PHE 55 Ca 0.09 0.31 -0.01 0.00 -1.04 0.00 0.00 56.93 56.28 2k1f s PHE 55 Cb -0.22 -1.80 -0.01 0.00 -1.21 0.00 0.00 43.02 39.78 2k1f s PHE 55 CO -0.05 0.61 -0.01 1.03 -1.34 0.00 0.00 175.22 175.47 2k1f s ARG 56 N -1.75 0.24 0.01 1.99 3.00 -0.47 -4.70 118.95 117.27 2k1f s ARG 56 Ca 0.24 -0.42 0.05 0.00 0.00 0.00 0.00 55.73 55.60 2k1f s ARG 56 Cb -0.12 0.09 -0.02 0.00 0.00 0.00 0.00 34.95 34.90 2k1f s ARG 56 CO 0.15 -0.04 -0.15 0.12 0.00 0.00 0.00 175.30 175.38 2k1f s PHE 57 N -1.05 1.34 -1.74 -0.53 5.36 -0.09 -1.83 117.98 119.45 2k1f s PHE 57 Ca -0.12 -0.29 0.00 0.00 -0.96 0.00 0.00 56.93 55.57 2k1f s PHE 57 Cb -0.07 -0.84 0.00 0.00 -0.34 0.00 0.00 43.02 41.77 2k1f s PHE 57 CO -0.01 0.00 0.00 -3.47 -1.46 0.00 0.00 175.22 170.29 2k1f n ASP 58 N 2.41 -5.05 0.00 6.13 -0.08 -1.26 -0.74 116.55 117.96 2k1f n ASP 58 Ca -0.16 0.33 0.00 0.00 -1.51 0.00 0.00 54.79 53.45 2k1f n ASP 58 Cb 0.55 -4.07 0.00 0.00 2.34 0.00 0.00 41.12 39.94 2k1f n ASP 58 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k1f n GLY 59 N -0.91 2.99 3.69 0.27 0.00 -1.26 -5.01 105.19 104.96 2k1f n GLY 59 Ca -0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.20 2.27 -0.16 1.61 -0.21 0.08 -4.94 119.66 118.10 2k1f s GLN 60 Ca 0.00 -1.61 -0.29 0.00 0.02 0.00 0.00 55.36 53.48 2k1f s GLN 60 Cb 0.00 -2.09 -0.03 0.00 1.00 0.00 0.00 33.01 31.88 2k1f s GLN 60 CO 0.00 0.13 1.56 -1.25 -2.12 0.00 0.00 175.29 173.61 2k1f s PRO 61 N -3.79 3.99 0.07 2.91 0.04 -1.26 -0.91 135.00 136.04 2k1f s PRO 61 Ca 0.36 1.81 -0.10 0.00 0.04 0.00 0.00 61.00 63.12 2k1f s PRO 61 Cb -0.02 -3.97 -0.06 0.00 0.04 0.00 0.00 34.50 30.49 2k1f s PRO 61 CO 0.21 -1.06 0.39 -1.50 0.04 0.00 0.00 177.00 175.09 2k1f s ILE 62 N 4.55 5.11 -0.24 0.56 2.07 -1.26 -4.95 121.20 127.04 2k1f s ILE 62 Ca 0.69 0.46 -0.13 0.00 -1.41 0.00 0.00 60.65 60.25 2k1f s ILE 62 Cb -0.27 -3.64 -0.04 0.00 0.13 0.00 0.00 42.46 38.64 2k1f s ILE 62 CO 0.27 0.31 0.29 0.20 -1.91 0.00 0.00 174.94 174.10 2k1f s ASN 63 N -1.71 6.24 0.00 4.50 0.01 -1.26 -4.99 114.94 117.72 2k1f s ASN 63 Ca 0.32 0.27 0.18 0.00 -0.71 0.00 0.00 52.86 52.92 2k1f s ASN 63 Cb -0.14 -2.17 1.01 0.00 0.41 0.00 0.00 41.25 40.36 2k1f s ASN 63 CO 0.18 -0.05 1.52 -1.84 -1.51 0.00 0.00 177.10 175.40 2k1f n GLU 64 N 4.67 0.43 0.12 -0.60 0.28 -1.26 -3.12 120.64 121.16 2k1f n GLU 64 Ca -0.11 0.06 0.07 0.00 -0.16 0.00 0.00 57.16 57.02 2k1f n GLU 64 Cb 0.51 -1.50 0.03 0.00 1.43 0.00 0.00 31.44 31.91 2k1f n GLU 64 CO 0.00 0.00 0.00 -0.97 -0.16 0.00 0.00 177.13 176.00 2k1f h ASN 65 N 0.00 0.00 -2.84 -1.84 -1.24 -1.99 -3.21 115.58 104.45 2k1f h ASN 65 Ca 0.00 0.00 -0.55 0.00 0.71 0.00 0.00 56.30 56.46 2k1f h ASN 65 Cb 0.08 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.11 2k1f h ASN 65 CO 0.00 0.23 0.91 -1.81 -1.29 0.00 0.00 177.43 175.47 2k1f s ASP 66 N -5.89 6.85 0.39 1.15 1.11 -1.18 -5.01 116.67 114.09 2k1f s ASP 66 Ca 0.02 1.99 -0.23 0.00 0.18 0.00 0.00 52.55 54.50 2k1f s ASP 66 Cb 0.08 -2.55 -0.10 0.00 1.07 0.00 0.00 42.92 41.42 2k1f s ASP 66 CO 0.76 -0.78 0.96 0.42 1.18 0.00 0.00 175.17 177.71 2k1f s THR 67 N 3.17 4.22 -0.33 -1.27 -4.23 -1.26 -4.81 115.64 111.12 2k1f s THR 67 Ca 0.63 1.58 0.26 0.00 -1.18 0.00 0.00 61.69 62.99 2k1f s THR 67 Cb -0.28 -3.76 0.29 0.00 1.34 0.00 0.00 72.50 70.09 2k1f s THR 67 CO 0.23 -0.10 1.79 1.55 -0.54 0.00 0.00 174.62 177.55 2k1f h PRO 68 N 2.45 0.00 0.00 3.99 0.13 -1.84 0.01 132.00 136.74 2k1f h PRO 68 Ca -0.48 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.56 2k1f h PRO 68 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2k1f h PRO 68 CO 0.63 0.00 -0.44 0.00 -0.23 0.00 0.00 178.00 177.96 2k1f h THR 69 N 0.00 0.79 -0.18 1.56 1.03 -1.92 -1.48 112.91 112.70 2k1f h THR 69 Ca 0.00 -1.98 -0.17 0.00 -0.01 0.00 0.00 66.41 64.24 2k1f h THR 69 Cb 0.42 2.30 0.01 0.00 -1.07 0.00 0.00 68.15 69.80 2k1f h THR 69 CO 0.00 0.43 -0.56 0.28 -0.01 0.00 0.00 175.52 175.65 2k1f h SER 70 N 0.00 0.81 -0.13 0.00 0.02 -1.41 -3.29 113.55 109.54 2k1f h SER 70 Ca -0.00 -0.59 -0.10 0.00 -0.84 0.00 0.00 61.79 60.25 2k1f h SER 70 Cb 1.26 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 2k1f h SER 70 CO 0.06 1.26 -0.23 -0.07 -1.14 0.00 0.00 176.83 176.70 2k1f h LEU 71 N 0.40 0.57 -1.31 5.07 3.38 -1.27 -3.48 115.31 118.66 2k1f h LEU 71 Ca -0.02 -0.19 -0.22 0.00 0.09 0.00 0.00 57.88 57.54 2k1f h LEU 71 Cb 1.19 -0.16 0.09 0.00 0.09 0.00 0.00 40.66 41.87 2k1f h LEU 71 CO 0.12 0.80 -0.42 -0.62 0.09 0.00 0.00 178.44 178.40 2k1f n GLU 72 N -4.12 -4.35 -2.35 1.13 1.02 -0.56 -5.06 120.64 106.35 2k1f n GLU 72 Ca -0.00 0.49 -0.17 0.00 -0.02 0.00 0.00 57.16 57.46 2k1f n GLU 72 Cb 0.41 -4.49 0.08 0.00 -0.02 0.00 0.00 31.44 27.41 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 -3.02 0.33 -3.83 3.49 2.81 -1.24 -5.09 117.12 110.57 2k1f n MET 73 Ca -0.07 -2.31 -0.22 0.00 -1.81 0.00 0.00 57.70 53.28 2k1f n MET 73 Cb 0.56 -0.37 -0.05 0.00 -0.71 0.00 0.00 33.22 32.65 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 -2.26 1.15 -2.76 0.03 0.28 -1.26 -5.04 120.64 110.78 2k1f n GLU 74 Ca 0.13 -2.53 -0.43 0.00 -0.16 0.00 0.00 57.16 54.17 2k1f n GLU 74 Cb 0.47 0.69 -0.02 0.00 1.43 0.00 0.00 31.44 34.02 2k1f n GLU 74 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 2k1f s GLU 75 N -3.25 3.75 0.00 3.44 -6.30 -1.26 -4.27 118.70 110.82 2k1f s GLU 75 Ca 0.00 -1.75 0.00 0.00 -2.50 0.00 0.00 54.97 50.72 2k1f s GLU 75 Cb 0.00 -5.19 0.00 0.00 0.00 0.00 0.00 34.13 28.94 2k1f s GLU 75 CO 0.00 -1.99 0.00 0.41 0.02 0.00 0.00 175.26 173.70 2k1f n GLY 76 N 5.66 0.03 3.92 -1.50 0.00 -1.12 -4.82 105.19 107.37 2k1f n GLY 76 Ca 0.33 -0.36 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 6.17 -0.15 1.61 2.15 -0.51 -4.87 116.67 121.08 2k1f s ASP 77 Ca 0.00 0.70 -0.02 0.00 0.43 0.00 0.00 52.55 53.66 2k1f s ASP 77 Cb 0.00 -2.06 0.05 0.00 -0.30 0.00 0.00 42.92 40.60 2k1f s ASP 77 CO 0.00 -0.54 -0.00 0.42 -0.17 0.00 0.00 175.17 174.87 2k1f s THR 78 N -2.61 0.68 -0.06 1.71 -4.23 -1.26 0.00 115.64 109.87 2k1f s THR 78 Ca 0.46 -0.41 0.03 0.00 -1.18 0.00 0.00 61.69 60.59 2k1f s THR 78 Cb -0.10 -0.99 -0.02 0.00 1.34 0.00 0.00 72.50 72.73 2k1f s THR 78 CO 0.41 0.02 -0.14 -0.51 -0.54 0.00 0.00 174.62 173.86 2k1f s ILE 79 N 1.81 3.04 -0.03 2.99 2.07 -0.57 -4.78 121.20 125.72 2k1f s ILE 79 Ca 0.01 -0.72 -0.14 0.00 -1.41 0.00 0.00 60.65 58.38 2k1f s ILE 79 Cb -0.15 -2.20 -0.05 0.00 0.13 0.00 0.00 42.46 40.19 2k1f s ILE 79 CO -0.07 0.58 0.39 -1.83 -1.91 0.00 0.00 174.94 172.10 2k1f s GLU 80 N -0.58 3.94 -0.16 3.50 -1.05 -0.76 -0.73 118.70 122.86 2k1f s GLU 80 Ca 0.08 0.36 -0.00 0.00 -0.15 0.00 0.00 54.97 55.26 2k1f s GLU 80 Cb -0.11 -3.25 0.04 0.00 -0.44 0.00 0.00 34.13 30.36 2k1f s GLU 80 CO 0.01 0.62 -0.07 0.08 0.95 0.00 0.00 175.26 176.85 2k1f s VAL 81 N -0.83 1.22 -0.19 1.83 1.01 0.02 -1.37 120.40 122.09 2k1f s VAL 81 Ca 0.23 -0.63 -0.21 0.00 0.00 0.00 0.00 61.98 61.36 2k1f s VAL 81 Cb -0.16 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 2k1f s VAL 81 CO 0.12 0.20 0.63 -0.47 0.00 0.00 0.00 175.10 175.59 2k1f s TYR 82 N 1.59 3.39 -0.01 5.22 6.14 -0.05 -1.32 117.35 132.31 2k1f s TYR 82 Ca 0.01 0.95 0.01 0.00 0.64 0.00 0.00 57.07 58.69 2k1f s TYR 82 Cb -0.15 -2.80 0.00 0.00 0.42 0.00 0.00 41.96 39.44 2k1f s TYR 82 CO -0.08 -0.16 -0.04 -1.14 0.64 0.00 0.00 175.55 174.77 2k1f s GLN 83 N 1.84 0.42 0.00 4.97 2.00 -1.26 -0.86 119.66 126.76 2k1f s GLN 83 Ca 0.29 -0.13 0.00 0.00 -2.00 0.00 0.00 55.36 53.52 2k1f s GLN 83 Cb -0.16 -0.43 0.00 0.00 0.80 0.00 0.00 33.01 33.22 2k1f s GLN 83 CO 0.11 0.05 0.00 0.94 -0.50 0.00 0.00 175.29 175.89 2k1f n GLN 84 N 3.23 0.00 -1.85 1.67 0.00 -1.26 -4.61 117.38 114.56 2k1f n GLN 84 Ca -0.16 0.00 -0.42 0.00 -0.00 0.00 0.00 57.00 56.42 2k1f n GLN 84 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.78 2k1f n GLN 84 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 2k1f s GLN 85 N -0.96 4.18 0.52 3.69 1.11 -1.26 -4.96 119.66 121.98 2k1f s GLN 85 Ca 0.00 2.44 -0.05 0.00 0.01 0.00 0.00 55.36 57.76 2k1f s GLN 85 Cb 0.00 -3.45 -0.01 0.00 -1.01 0.00 0.00 33.01 28.54 2k1f s GLN 85 CO 0.00 -0.74 0.82 0.95 0.01 0.00 0.00 175.29 176.33 2k1f s THR 86 N 2.20 4.31 -0.08 -0.19 -4.23 -1.26 -4.88 115.64 111.51 2k1f s THR 86 Ca 0.75 0.04 0.04 0.00 -1.18 0.00 0.00 61.69 61.34 2k1f s THR 86 Cb -0.43 -3.66 -0.08 0.00 1.34 0.00 0.00 72.50 69.67 2k1f s THR 86 CO 0.33 -0.64 -0.02 0.61 -0.54 0.00 0.00 174.62 174.36 2k1f n GLY 87 N -2.37 -0.27 0.00 3.99 0.00 -1.26 -5.09 105.19 100.19 2k1f n GLY 87 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2k1f n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93