#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 3.50 0.00 7.83 7.64 -1.26 -4.52 113.62 126.81 2k1f n SER 2 Ca 0.00 -2.78 0.00 0.00 1.01 0.00 0.00 58.87 57.10 2k1f n SER 2 Cb 0.00 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 61.69 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 8.24 2.86 -3.67 6.43 -0.08 -1.26 -5.09 116.55 123.98 2k1f n ASP 3 Ca 0.50 0.00 -0.28 0.00 -1.51 0.00 0.00 54.79 53.50 2k1f n ASP 3 Cb 0.42 0.00 -0.16 0.00 2.34 0.00 0.00 41.12 43.72 2k1f n ASP 3 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 2k1f s GLU 4 N 4.88 0.43 -0.31 -0.67 2.56 -1.26 -5.04 118.70 119.29 2k1f s GLU 4 Ca 0.00 -0.47 -0.27 0.00 0.00 0.00 0.00 54.97 54.23 2k1f s GLU 4 Cb 0.00 -1.84 0.04 0.00 2.00 0.00 0.00 34.13 34.33 2k1f s GLU 4 CO 0.00 -0.78 0.45 1.17 -0.56 0.00 0.00 175.26 175.54 2k1f n LYS 5 N 5.11 -1.42 -2.41 4.30 4.81 -1.26 -4.84 118.16 122.46 2k1f n LYS 5 Ca -0.07 1.23 -0.39 0.00 -0.87 0.00 0.00 58.31 58.21 2k1f n LYS 5 Cb 0.46 -1.74 -0.03 0.00 0.02 0.00 0.00 35.03 33.73 2k1f n LYS 5 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2k1f s LYS 6 N -1.99 3.12 -0.32 1.64 1.02 -1.26 -4.89 119.74 117.06 2k1f s LYS 6 Ca 0.26 -0.30 0.03 0.00 0.02 0.00 0.00 55.97 55.99 2k1f s LYS 6 Cb -0.03 -4.59 0.16 0.00 -0.52 0.00 0.00 37.83 32.85 2k1f s LYS 6 CO 0.60 -2.40 0.42 0.20 -0.92 0.00 0.00 175.35 173.26 2k1f s GLY 7 N 5.29 -0.50 0.00 -3.33 0.00 -1.26 -5.07 107.32 102.45 2k1f s GLY 7 Ca 0.47 -0.11 0.00 0.00 0.00 0.00 0.00 44.72 45.08 2k1f s GLY 7 CO 0.09 3.03 0.00 0.61 0.00 0.00 0.00 173.10 176.82 2k1f n GLY 8 N 4.96 -1.09 3.56 0.20 0.00 -1.26 -5.09 105.19 106.46 2k1f n GLY 8 Ca 0.04 0.44 -0.37 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 3.05 0.00 1.61 2.12 -1.26 -4.79 118.70 119.43 2k1f s GLU 9 Ca 0.00 -0.37 0.22 0.00 0.36 0.00 0.00 54.97 55.18 2k1f s GLU 9 Cb 0.00 -4.82 -0.29 0.00 0.26 0.00 0.00 34.13 29.28 2k1f s GLU 9 CO 0.00 -2.60 0.57 2.41 -0.54 0.00 0.00 175.26 175.10 2k1f n THR 10 N 7.09 0.08 -0.76 -1.70 -1.04 -1.26 -4.80 114.28 111.89 2k1f n THR 10 Ca 0.25 -0.49 -0.37 0.00 -2.04 0.00 0.00 64.05 61.40 2k1f n THR 10 Cb 0.50 -0.01 -0.07 0.00 -1.82 0.00 0.00 70.33 68.93 2k1f n THR 10 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2k1f n GLU 11 N -2.28 0.88 -3.31 -2.82 4.71 -1.26 -4.91 120.64 111.64 2k1f n GLU 11 Ca -0.03 -1.37 -0.38 0.00 -0.01 0.00 0.00 57.16 55.37 2k1f n GLU 11 Cb 0.56 -2.63 -0.06 0.00 -1.01 0.00 0.00 31.44 28.30 2k1f n GLU 11 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 2k1f s HIS 12 N 5.54 3.61 -0.10 -0.32 3.76 -1.26 -2.10 115.29 124.42 2k1f s HIS 12 Ca 0.54 1.02 -0.02 0.00 -0.15 0.00 0.00 55.06 56.44 2k1f s HIS 12 Cb 0.13 -2.52 -0.03 0.00 1.11 0.00 0.00 32.58 31.26 2k1f s HIS 12 CO 0.17 0.32 -0.01 0.96 -0.85 0.00 0.00 174.74 175.34 2k1f s ILE 13 N 0.01 4.22 0.04 0.60 -4.36 0.11 -4.89 121.20 116.92 2k1f s ILE 13 Ca 0.27 -0.27 -0.22 0.00 -0.26 0.00 0.00 60.65 60.17 2k1f s ILE 13 Cb -0.16 -2.79 -0.06 0.00 1.25 0.00 0.00 42.46 40.70 2k1f s ILE 13 CO 0.13 0.58 0.64 0.20 0.24 0.00 0.00 174.94 176.73 2k1f s ASN 14 N -0.57 7.07 0.09 4.36 0.01 -1.26 -1.74 114.94 122.90 2k1f s ASN 14 Ca 0.09 1.28 0.04 0.00 -0.71 0.00 0.00 52.86 53.57 2k1f s ASN 14 Cb -0.12 -2.39 -0.03 0.00 0.41 0.00 0.00 41.25 39.11 2k1f s ASN 14 CO 0.02 0.13 -0.12 -0.76 -1.51 0.00 0.00 177.10 174.87 2k1f s LEU 15 N -0.44 2.36 -0.02 0.60 1.02 0.03 -0.45 118.68 121.78 2k1f s LEU 15 Ca 0.32 -0.73 0.05 0.00 0.02 0.00 0.00 54.13 53.80 2k1f s LEU 15 Cb -0.19 -0.38 -0.01 0.00 0.02 0.00 0.00 46.19 45.62 2k1f s LEU 15 CO 0.19 -0.19 -0.18 -0.54 0.02 0.00 0.00 176.35 175.65 2k1f s LYS 16 N -2.36 1.57 -0.35 1.70 1.02 0.20 -1.62 119.74 119.90 2k1f s LYS 16 Ca 0.02 -0.65 -0.10 0.00 0.02 0.00 0.00 55.97 55.26 2k1f s LYS 16 Cb -0.06 -1.48 0.02 0.00 -0.52 0.00 0.00 37.83 35.79 2k1f s LYS 16 CO 0.01 0.36 0.17 0.08 -0.92 0.00 0.00 175.35 175.06 2k1f s VAL 17 N -0.33 4.49 -0.92 3.17 1.01 0.08 -1.70 120.40 126.20 2k1f s VAL 17 Ca 0.05 -0.73 -0.16 0.00 0.00 0.00 0.00 61.98 61.13 2k1f s VAL 17 Cb -0.08 -3.43 0.17 0.00 0.00 0.00 0.00 36.38 33.04 2k1f s VAL 17 CO -0.00 -0.12 1.03 -0.76 0.00 0.00 0.00 175.10 175.25 2k1f s LEU 18 N 1.56 5.69 -0.23 3.92 1.02 0.44 -2.14 118.68 128.93 2k1f s LEU 18 Ca 0.03 -2.40 -0.25 0.00 0.02 0.00 0.00 54.13 51.53 2k1f s LEU 18 Cb -0.18 -2.33 -0.01 0.00 0.02 0.00 0.00 46.19 43.69 2k1f s LEU 18 CO 0.06 -0.84 0.84 -0.83 0.02 0.00 0.00 176.35 175.60 2k1f s GLY 19 N 2.98 1.80 0.00 -3.19 0.00 -1.26 -0.55 107.32 107.10 2k1f s GLY 19 Ca 0.28 -0.10 0.14 0.00 0.00 0.00 0.00 44.72 45.05 2k1f s GLY 19 CO -0.09 1.81 1.43 0.61 0.00 0.00 0.00 173.10 176.86 2k1f n GLN 20 N 5.93 0.09 0.00 2.90 -0.00 -0.70 -1.70 117.38 123.89 2k1f n GLN 20 Ca 0.06 0.21 0.00 0.00 -0.00 0.00 0.00 57.00 57.27 2k1f n GLN 20 Cb 0.48 -1.50 0.00 0.00 -0.00 0.00 0.00 30.24 29.22 2k1f n GLN 20 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2k1f n ASP 21 N -1.41 0.62 0.00 2.61 2.03 -1.26 -4.86 116.55 114.28 2k1f n ASP 21 Ca 0.05 -1.62 0.00 0.00 0.52 0.00 0.00 54.79 53.74 2k1f n ASP 21 Cb 0.14 -0.31 0.00 0.00 -0.72 0.00 0.00 41.12 40.23 2k1f n ASP 21 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2k1f n ASN 22 N -0.04 0.00 -3.53 1.67 3.02 -0.69 -4.92 115.26 110.77 2k1f n ASN 22 Ca 0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.17 2k1f n ASN 22 Cb 0.15 -0.07 -0.04 0.00 -0.61 0.00 0.00 39.78 39.21 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 0.15 4.14 -2.29 5.41 0.00 -1.23 -4.93 120.51 121.76 2k1f n ALA 23 Ca 0.00 -3.12 -0.41 0.00 0.00 0.00 0.00 53.44 49.91 2k1f n ALA 23 Cb 0.00 -3.47 -0.04 0.00 0.00 0.00 0.00 19.45 15.93 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 4.25 4.54 0.02 0.00 1.01 -1.26 -4.11 120.40 124.86 2k1f s VAL 24 Ca 0.52 2.00 -0.02 0.00 0.00 0.00 0.00 61.98 64.48 2k1f s VAL 24 Cb 0.14 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 2k1f s VAL 24 CO 0.04 0.32 0.01 0.54 0.00 0.00 0.00 175.10 176.02 2k1f s VAL 25 N 0.00 0.12 -0.00 2.92 0.11 -0.91 -4.99 120.40 117.64 2k1f s VAL 25 Ca 0.46 -0.98 0.06 0.00 -2.93 0.00 0.00 61.98 58.59 2k1f s VAL 25 Cb -0.23 -0.46 -0.02 0.00 -1.53 0.00 0.00 36.38 34.14 2k1f s VAL 25 CO 0.29 -0.54 -0.20 -1.58 -3.33 0.00 0.00 175.10 169.74 2k1f s GLN 26 N -1.79 1.55 0.37 1.54 -0.44 -1.26 -0.74 119.66 118.89 2k1f s GLN 26 Ca -0.13 -0.75 -0.10 0.00 -2.50 0.00 0.00 55.36 51.88 2k1f s GLN 26 Cb -0.07 -1.53 0.03 0.00 -1.64 0.00 0.00 33.01 29.80 2k1f s GLN 26 CO -0.02 0.41 0.65 -0.59 0.50 0.00 0.00 175.29 176.25 2k1f s PHE 27 N -0.53 0.53 0.03 1.67 -0.12 -0.64 -5.02 117.98 113.89 2k1f s PHE 27 Ca 0.07 -1.01 -0.01 0.00 -0.05 0.00 0.00 56.93 55.93 2k1f s PHE 27 Cb -0.08 0.43 -0.02 0.00 -0.63 0.00 0.00 43.02 42.72 2k1f s PHE 27 CO -0.00 -1.38 -0.00 -1.59 -0.05 0.00 0.00 175.22 172.19 2k1f s LYS 28 N -2.66 0.41 0.13 1.99 -2.85 -1.26 -0.79 119.74 114.71 2k1f s LYS 28 Ca 0.22 -0.72 0.03 0.00 -1.00 0.00 0.00 55.97 54.50 2k1f s LYS 28 Cb -0.03 0.15 -0.04 0.00 -2.06 0.00 0.00 37.83 35.84 2k1f s LYS 28 CO 0.15 -0.08 -0.09 -1.50 0.10 0.00 0.00 175.35 173.94 2k1f s ILE 29 N -2.02 0.99 0.36 3.79 2.07 -0.71 -4.93 121.20 120.75 2k1f s ILE 29 Ca -0.11 -1.98 -0.26 0.00 -1.41 0.00 0.00 60.65 56.89 2k1f s ILE 29 Cb -0.06 -1.75 -0.09 0.00 0.13 0.00 0.00 42.46 40.69 2k1f s ILE 29 CO -0.03 -0.78 1.05 -0.54 -1.91 0.00 0.00 174.94 172.74 2k1f s LYS 30 N -3.70 4.32 0.00 3.50 1.02 -1.26 0.06 119.74 123.68 2k1f s LYS 30 Ca 0.14 1.57 0.26 0.00 0.02 0.00 0.00 55.97 57.96 2k1f s LYS 30 Cb 0.03 -2.73 1.52 0.00 -0.52 0.00 0.00 37.83 36.14 2k1f s LYS 30 CO -0.01 -0.02 1.98 0.36 -0.92 0.00 0.00 175.35 176.74 2k1f n LYS 31 N 0.30 1.03 0.01 1.68 2.85 -0.89 -3.01 118.16 120.13 2k1f n LYS 31 Ca 0.03 -0.05 -0.10 0.00 -1.05 0.00 0.00 58.31 57.14 2k1f n LYS 31 Cb 0.48 -1.41 -0.14 0.00 -0.65 0.00 0.00 35.03 33.32 2k1f n LYS 31 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2k1f h HIS 32 N 0.11 0.10 -3.92 5.58 3.86 -1.93 -3.40 115.15 115.56 2k1f h HIS 32 Ca 0.00 -0.07 -0.46 0.00 -1.16 0.00 0.00 60.37 58.67 2k1f h HIS 32 Cb 0.02 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.47 2k1f h HIS 32 CO 0.00 1.12 0.24 0.95 0.86 0.00 0.00 177.93 181.10 2k1f s THR 33 N -2.62 4.50 0.90 2.45 -4.23 -1.16 -4.93 115.64 110.55 2k1f s THR 33 Ca -0.06 1.28 -0.12 0.00 -1.18 0.00 0.00 61.69 61.61 2k1f s THR 33 Cb 0.08 -3.62 0.13 0.00 1.34 0.00 0.00 72.50 70.44 2k1f s THR 33 CO 0.82 -0.25 1.13 -2.16 -0.54 0.00 0.00 174.62 173.62 2k1f s PRO 34 N -3.06 1.23 0.22 3.99 0.04 -1.26 -4.59 135.00 131.57 2k1f s PRO 34 Ca 0.58 0.36 0.04 0.00 0.04 0.00 0.00 61.00 62.02 2k1f s PRO 34 Cb -0.10 -1.84 0.19 0.00 0.04 0.00 0.00 34.50 32.79 2k1f s PRO 34 CO 0.15 -2.15 1.52 -0.07 0.04 0.00 0.00 177.00 176.49 2k1f h LEU 35 N -1.47 0.28 -0.96 -3.56 -0.00 -1.50 -3.38 115.31 104.73 2k1f h LEU 35 Ca -0.50 -0.17 0.25 0.00 -0.00 0.00 0.00 57.88 57.45 2k1f h LEU 35 Cb 1.32 -0.08 -0.13 0.00 -0.00 0.00 0.00 40.66 41.77 2k1f h LEU 35 CO 0.61 0.86 0.50 -0.09 -0.00 0.00 0.00 178.44 180.32 2k1f h ARG 36 N 0.17 0.45 -0.12 1.13 2.43 -1.39 -0.93 114.38 116.12 2k1f h ARG 36 Ca -0.01 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.01 2k1f h ARG 36 Cb 1.19 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 2k1f h ARG 36 CO 0.10 0.30 -0.46 -0.22 -1.51 0.00 0.00 179.97 178.18 2k1f h LYS 37 N 0.47 0.28 -0.00 0.20 1.63 -1.89 -1.15 116.57 116.11 2k1f h LYS 37 Ca 0.62 -0.15 -0.00 0.00 -0.85 0.00 0.00 60.65 60.27 2k1f h LYS 37 Cb 1.22 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.85 2k1f h LYS 37 CO -0.52 0.69 -0.01 1.25 -3.45 0.00 0.00 179.45 177.41 2k1f h LEU 38 N 0.23 0.01 -0.05 5.20 6.46 -1.45 -2.67 115.31 123.04 2k1f h LEU 38 Ca 0.01 -0.54 0.03 0.00 -0.12 0.00 0.00 57.88 57.26 2k1f h LEU 38 Cb 0.91 -0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.77 2k1f h LEU 38 CO 0.07 0.56 -0.45 0.24 -0.62 0.00 0.00 178.44 178.24 2k1f h MET 39 N -0.53 -0.55 -0.00 1.25 2.86 -1.31 -1.36 114.93 115.29 2k1f h MET 39 Ca 0.00 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2k1f h MET 39 Cb 0.55 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.34 2k1f h MET 39 CO 0.00 -0.37 -0.01 0.09 1.06 0.00 0.00 176.91 177.69 2k1f n ASN 40 N -5.45 0.04 -0.04 1.22 3.02 -0.44 -0.79 115.26 112.81 2k1f n ASN 40 Ca -0.05 -0.17 -0.14 0.00 -0.03 0.00 0.00 54.58 54.18 2k1f n ASN 40 Cb 0.37 -0.27 -0.12 0.00 -0.61 0.00 0.00 39.78 39.16 2k1f n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k1f h ALA 41 N 3.44 0.01 0.57 5.41 0.00 -1.08 -3.06 119.26 124.53 2k1f h ALA 41 Ca 0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 2k1f h ALA 41 Cb 0.29 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.10 2k1f h ALA 41 CO 0.00 -0.01 -0.27 -0.92 0.00 0.00 0.00 179.25 178.05 2k1f h TYR 42 N -0.73 -0.70 0.38 0.00 5.03 -0.98 -2.86 116.97 117.11 2k1f h TYR 42 Ca -0.01 -0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.27 2k1f h TYR 42 Cb 0.93 0.23 -0.01 0.00 1.55 0.00 0.00 36.73 39.44 2k1f h TYR 42 CO 0.21 -0.44 -0.25 0.00 -1.32 0.00 0.00 178.16 176.37 2k1f h ASP 44 N -0.61 0.00 -0.17 0.00 3.32 -1.64 0.12 116.42 117.44 2k1f h ASP 44 Ca -0.04 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 2k1f h ASP 44 Cb 0.51 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 2k1f h ASP 44 CO 0.03 0.45 -0.01 0.03 -1.72 0.00 0.00 179.24 178.02 2k1f h ARG 45 N 0.00 0.31 0.07 3.56 3.08 -1.51 -3.33 114.38 116.56 2k1f h ARG 45 Ca -0.00 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 2k1f h ARG 45 Cb 0.86 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.89 2k1f h ARG 45 CO 0.06 0.55 -0.03 0.00 -1.07 0.00 0.00 179.97 179.47 2k1f h ALA 46 N 0.75 -0.09 0.00 0.04 0.00 -1.11 -3.48 119.26 115.37 2k1f h ALA 46 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2k1f h ALA 46 Cb 0.42 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2k1f h ALA 46 CO 0.01 -0.42 0.00 0.41 0.00 0.00 0.00 179.25 179.25 2k1f n GLY 47 N -0.44 0.95 3.86 0.00 0.00 0.38 -4.94 105.19 105.00 2k1f n GLY 47 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 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 2.36 0.00 0.99 0.05 -1.22 -4.92 118.68 115.95 2k1f s LEU 48 Ca 0.00 0.87 -0.01 0.00 0.05 0.00 0.00 54.13 55.03 2k1f s LEU 48 Cb 0.00 -3.32 0.01 0.00 -2.05 0.00 0.00 46.19 40.83 2k1f s LEU 48 CO 0.00 -2.09 0.12 -1.54 -0.55 0.00 0.00 176.35 172.29 2k1f n SER 49 N -3.45 -0.34 0.00 1.48 3.41 -1.26 -4.31 113.62 109.15 2k1f n SER 49 Ca 0.07 -1.33 0.09 0.00 -0.26 0.00 0.00 58.87 57.44 2k1f n SER 49 Cb 0.60 0.59 0.40 0.00 -0.26 0.00 0.00 64.21 65.55 2k1f n SER 49 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2k1f n MET 50 N -0.11 0.01 0.22 4.33 2.81 -1.26 -0.45 117.12 122.67 2k1f n MET 50 Ca -0.01 0.18 0.09 0.00 -1.81 0.00 0.00 57.70 56.15 2k1f n MET 50 Cb 0.11 -1.51 0.51 0.00 -0.71 0.00 0.00 33.22 31.62 2k1f n MET 50 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 2k1f h GLN 51 N 0.00 0.00 0.00 0.03 4.20 -2.03 -3.37 115.11 113.95 2k1f h GLN 51 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2k1f h GLN 51 Cb 0.33 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 2k1f h GLN 51 CO 0.00 0.25 -1.08 1.33 -0.67 0.00 0.00 178.83 178.66 2k1f n VAL 52 N -3.65 0.08 -3.43 -0.54 0.24 -0.65 -4.96 118.33 105.43 2k1f n VAL 52 Ca -0.01 -0.05 -0.38 0.00 -2.04 0.00 0.00 64.34 61.86 2k1f n VAL 52 Cb 0.37 -0.96 -0.06 0.00 -1.47 0.00 0.00 33.84 31.72 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 -2.03 5.10 -0.54 3.34 1.01 0.40 -2.49 120.40 125.19 2k1f s VAL 53 Ca -0.01 0.86 0.02 0.00 0.00 0.00 0.00 61.98 62.86 2k1f s VAL 53 Cb 0.00 -3.75 0.14 0.00 0.00 0.00 0.00 36.38 32.77 2k1f s VAL 53 CO 0.05 0.47 0.30 -0.13 0.00 0.00 0.00 175.10 175.79 2k1f s ARG 54 N -0.32 2.13 0.04 2.72 3.00 -0.25 -4.44 118.95 121.83 2k1f s ARG 54 Ca 0.24 -2.57 -0.27 0.00 0.00 0.00 0.00 55.73 53.12 2k1f s ARG 54 Cb -0.16 -3.43 -0.05 0.00 0.00 0.00 0.00 34.95 31.31 2k1f s ARG 54 CO 0.11 -1.12 0.85 -0.06 0.00 0.00 0.00 175.30 175.08 2k1f s PHE 55 N -0.19 3.72 0.11 -0.53 0.40 -1.26 -0.99 117.98 119.24 2k1f s PHE 55 Ca 0.17 1.57 0.09 0.00 -0.60 0.00 0.00 56.93 58.16 2k1f s PHE 55 Cb -0.24 -2.94 -0.04 0.00 0.51 0.00 0.00 43.02 40.32 2k1f s PHE 55 CO -0.01 0.18 -0.24 1.03 0.70 0.00 0.00 175.22 176.87 2k1f s ARG 56 N 0.28 1.30 -0.28 0.44 1.81 0.32 -4.77 118.95 118.04 2k1f s ARG 56 Ca 0.43 -1.23 0.02 0.00 -1.72 0.00 0.00 55.73 53.23 2k1f s ARG 56 Cb -0.21 -1.66 0.06 0.00 -0.45 0.00 0.00 34.95 32.70 2k1f s ARG 56 CO 0.25 0.39 -0.06 0.12 -0.68 0.00 0.00 175.30 175.32 2k1f s PHE 57 N -1.08 3.34 -1.37 -0.53 5.36 0.60 -1.21 117.98 123.10 2k1f s PHE 57 Ca 0.10 -2.35 -0.03 0.00 -0.96 0.00 0.00 56.93 53.70 2k1f s PHE 57 Cb -0.10 -2.12 0.02 0.00 -0.34 0.00 0.00 43.02 40.48 2k1f s PHE 57 CO 0.05 -0.88 0.70 -3.47 -1.46 0.00 0.00 175.22 170.16 2k1f n ASP 58 N 4.44 -1.68 0.00 6.13 2.03 -1.26 -1.10 116.55 125.11 2k1f n ASP 58 Ca -0.11 -0.84 0.00 0.00 0.52 0.00 0.00 54.79 54.35 2k1f n ASP 58 Cb 0.42 -3.85 0.00 0.00 -0.72 0.00 0.00 41.12 36.97 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 -1.66 2.40 3.94 0.27 0.00 -1.26 -5.02 105.19 103.86 2k1f n GLY 59 Ca -0.24 -0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 3.51 -0.43 1.61 -0.21 -0.26 -4.92 119.66 118.95 2k1f s GLN 60 Ca 0.00 -0.38 -0.29 0.00 0.02 0.00 0.00 55.36 54.71 2k1f s GLN 60 Cb 0.00 -2.79 0.02 0.00 1.00 0.00 0.00 33.01 31.24 2k1f s GLN 60 CO 0.00 0.33 1.29 -1.25 -2.12 0.00 0.00 175.29 173.54 2k1f s PRO 61 N -3.69 3.66 0.05 2.91 0.04 -1.26 -0.29 135.00 136.41 2k1f s PRO 61 Ca 0.39 0.81 -0.20 0.00 0.04 0.00 0.00 61.00 62.03 2k1f s PRO 61 Cb -0.10 -3.97 -0.06 0.00 0.04 0.00 0.00 34.50 30.41 2k1f s PRO 61 CO 0.31 -1.46 0.60 -1.50 0.04 0.00 0.00 177.00 174.98 2k1f s ILE 62 N 4.98 4.78 -0.27 0.56 2.07 -1.26 -4.97 121.20 127.08 2k1f s ILE 62 Ca 0.56 1.27 -0.22 0.00 -1.41 0.00 0.00 60.65 60.85 2k1f s ILE 62 Cb -0.11 -3.93 -0.01 0.00 0.13 0.00 0.00 42.46 38.54 2k1f s ILE 62 CO 0.32 0.49 0.73 0.20 -1.91 0.00 0.00 174.94 174.77 2k1f s ASN 63 N -0.73 6.66 0.38 4.50 0.01 -1.26 -4.96 114.94 119.54 2k1f s ASN 63 Ca 0.30 0.75 0.27 0.00 -0.71 0.00 0.00 52.86 53.47 2k1f s ASN 63 Cb -0.19 -2.38 1.33 0.00 0.41 0.00 0.00 41.25 40.41 2k1f s ASN 63 CO 0.19 -0.49 1.81 1.05 -1.51 0.00 0.00 177.10 178.15 2k1f h GLU 64 N 7.94 0.00 0.00 -0.60 4.11 -1.98 -1.87 114.58 122.18 2k1f h GLU 64 Ca -0.25 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.15 2k1f h GLU 64 Cb 1.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 2k1f h GLU 64 CO 0.83 0.00 -0.14 -0.97 0.07 0.00 0.00 179.01 178.80 2k1f h ASN 65 N 0.00 0.00 -4.25 3.06 -0.73 -1.96 -0.50 115.58 111.20 2k1f h ASN 65 Ca 0.00 0.00 -0.47 0.00 1.87 0.00 0.00 56.30 57.70 2k1f h ASN 65 Cb 0.15 0.00 0.12 0.00 0.27 0.00 0.00 38.32 38.86 2k1f h ASN 65 CO 0.00 0.14 0.31 -0.62 -0.37 0.00 0.00 177.43 176.89 2k1f s ASP 66 N -6.03 3.93 0.10 1.15 -1.08 -0.70 -4.71 116.67 109.32 2k1f s ASP 66 Ca -0.00 1.14 0.09 0.00 -0.52 0.00 0.00 52.55 53.26 2k1f s ASP 66 Cb 0.11 -1.79 -0.04 0.00 -1.46 0.00 0.00 42.92 39.74 2k1f s ASP 66 CO 0.60 -2.30 -0.23 0.42 0.52 0.00 0.00 175.17 174.18 2k1f s THR 67 N -3.21 2.50 -1.48 1.71 -4.23 -1.26 -3.17 115.64 106.50 2k1f s THR 67 Ca 0.62 -1.52 0.22 0.00 -1.18 0.00 0.00 61.69 59.83 2k1f s THR 67 Cb -0.15 -2.09 0.40 0.00 1.34 0.00 0.00 72.50 72.01 2k1f s THR 67 CO 0.54 0.19 1.70 -0.81 -0.54 0.00 0.00 174.62 175.69 2k1f n PRO 68 N 1.15 0.34 0.19 3.99 -0.04 -1.26 -1.44 135.00 137.92 2k1f n PRO 68 Ca -0.17 0.07 0.10 0.00 -0.04 0.00 0.00 63.50 63.46 2k1f n PRO 68 Cb 0.53 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.60 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 0.19 0.18 0.52 1.35 -1.95 -0.11 112.91 113.09 2k1f h THR 69 Ca 0.00 -1.27 -0.29 0.00 -0.55 0.00 0.00 66.41 64.29 2k1f h THR 69 Cb 0.18 2.03 0.02 0.00 -1.73 0.00 0.00 68.15 68.65 2k1f h THR 69 CO 0.00 0.11 -1.39 0.28 -0.25 0.00 0.00 175.52 174.26 2k1f h SER 70 N 0.00 0.58 0.11 5.36 0.02 -1.66 -3.38 113.55 114.59 2k1f h SER 70 Ca -0.01 -0.92 -0.01 0.00 -0.84 0.00 0.00 61.79 60.02 2k1f h SER 70 Cb 1.09 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.44 2k1f h SER 70 CO 0.01 1.64 -0.05 -0.07 -1.14 0.00 0.00 176.83 177.22 2k1f h LEU 71 N -0.10 -0.13 -2.92 5.07 3.38 -1.60 -3.50 115.31 115.51 2k1f h LEU 71 Ca -0.27 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.26 2k1f h LEU 71 Cb 1.93 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.72 2k1f h LEU 71 CO 0.17 0.48 -0.02 -0.62 0.09 0.00 0.00 178.44 178.53 2k1f n GLU 72 N -4.86 -0.20 -4.09 1.13 1.02 -0.05 -5.10 120.64 108.48 2k1f n GLU 72 Ca -0.08 0.55 -0.27 0.00 -0.02 0.00 0.00 57.16 57.34 2k1f n GLU 72 Cb 0.28 -2.08 -0.03 0.00 -0.02 0.00 0.00 31.44 29.59 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 -3.03 2.25 0.00 3.49 -1.94 -1.25 -5.09 119.30 113.73 2k1f s MET 73 Ca 0.01 -2.05 0.00 0.00 -1.71 0.00 0.00 55.69 51.94 2k1f s MET 73 Cb -0.00 -1.97 0.00 0.00 2.01 0.00 0.00 34.83 34.86 2k1f s MET 73 CO 0.10 -0.46 0.00 -1.91 -0.01 0.00 0.00 175.02 172.74 2k1f n GLU 74 N -1.56 0.00 -3.95 2.03 2.13 -1.26 -5.00 120.64 113.03 2k1f n GLU 74 Ca -0.05 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.69 2k1f n GLU 74 Cb 0.65 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.27 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 2.08 0.73 0.00 5.31 -1.05 -1.26 -4.84 118.70 119.67 2k1f s GLU 75 Ca 0.00 -1.04 0.00 0.00 -0.15 0.00 0.00 54.97 53.78 2k1f s GLU 75 Cb 0.00 0.28 0.00 0.00 -0.44 0.00 0.00 34.13 33.97 2k1f s GLU 75 CO 0.00 -0.20 0.00 0.41 0.95 0.00 0.00 175.26 176.42 2k1f n GLY 76 N 0.08 0.96 3.92 -3.83 0.00 0.40 -4.92 105.19 101.80 2k1f n GLY 76 Ca -0.15 -0.49 -0.26 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.69 6.19 -0.03 1.61 -1.08 -0.76 -4.88 116.67 115.04 2k1f s ASP 77 Ca 0.00 0.77 0.01 0.00 -0.52 0.00 0.00 52.55 52.81 2k1f s ASP 77 Cb 0.00 -2.12 0.02 0.00 -1.46 0.00 0.00 42.92 39.36 2k1f s ASP 77 CO 0.00 -0.56 -0.03 0.42 0.52 0.00 0.00 175.17 175.52 2k1f s THR 78 N -2.66 0.37 -0.03 1.71 -4.23 -1.26 -0.63 115.64 108.91 2k1f s THR 78 Ca 0.46 -0.07 0.03 0.00 -1.18 0.00 0.00 61.69 60.94 2k1f s THR 78 Cb -0.10 -0.41 0.00 0.00 1.34 0.00 0.00 72.50 73.33 2k1f s THR 78 CO 0.43 0.17 -0.12 -0.51 -0.54 0.00 0.00 174.62 174.05 2k1f s ILE 79 N 0.73 1.01 -0.17 2.99 2.07 -0.69 -4.66 121.20 122.49 2k1f s ILE 79 Ca -0.09 -0.48 -0.08 0.00 -1.41 0.00 0.00 60.65 58.60 2k1f s ILE 79 Cb -0.12 -0.88 -0.04 0.00 0.13 0.00 0.00 42.46 41.54 2k1f s ILE 79 CO -0.01 0.30 0.10 -1.83 -1.91 0.00 0.00 174.94 171.60 2k1f s GLU 80 N 0.18 3.86 -0.11 3.50 -1.05 -0.35 -0.42 118.70 124.32 2k1f s GLU 80 Ca -0.04 -0.25 0.01 0.00 -0.15 0.00 0.00 54.97 54.55 2k1f s GLU 80 Cb -0.10 -3.26 0.02 0.00 -0.44 0.00 0.00 34.13 30.34 2k1f s GLU 80 CO 0.01 0.44 -0.15 0.08 0.95 0.00 0.00 175.26 176.59 2k1f s VAL 81 N -0.06 1.46 0.30 1.83 1.01 0.29 -0.52 120.40 124.71 2k1f s VAL 81 Ca 0.09 -0.61 0.07 0.00 0.00 0.00 0.00 61.98 61.52 2k1f s VAL 81 Cb -0.12 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 2k1f s VAL 81 CO 0.00 0.43 0.30 -0.31 0.00 0.00 0.00 175.10 175.53 2k1f s TYR 82 N 1.06 3.04 0.50 5.22 1.51 -0.16 -1.73 117.35 126.79 2k1f s TYR 82 Ca -0.05 -0.21 0.08 0.00 -1.01 0.00 0.00 57.07 55.87 2k1f s TYR 82 Cb -0.15 -1.70 0.03 0.00 -0.11 0.00 0.00 41.96 40.03 2k1f s TYR 82 CO -0.03 0.27 0.51 1.14 -1.11 0.00 0.00 175.55 176.33 2k1f s GLN 83 N -3.98 2.42 0.00 -0.62 -2.07 -1.26 -1.09 119.66 113.06 2k1f s GLN 83 Ca 0.39 -1.68 0.00 0.00 -1.82 0.00 0.00 55.36 52.24 2k1f s GLN 83 Cb -0.07 -2.40 0.00 0.00 -1.09 0.00 0.00 33.01 29.45 2k1f s GLN 83 CO 0.27 -0.50 0.00 0.94 -1.32 0.00 0.00 175.29 174.68 2k1f n GLN 84 N -1.82 0.00 -3.22 9.60 0.00 -1.04 -4.81 117.38 116.09 2k1f n GLN 84 Ca 0.05 0.00 -0.33 0.00 -0.00 0.00 0.00 57.00 56.72 2k1f n GLN 84 Cb 0.62 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.80 2k1f n GLN 84 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 2k1f s GLN 85 N 0.00 3.99 0.36 3.69 0.74 -1.26 -5.10 119.66 122.08 2k1f s GLN 85 Ca 0.00 0.59 0.02 0.00 0.05 0.00 0.00 55.36 56.02 2k1f s GLN 85 Cb 0.00 -2.60 -0.02 0.00 1.10 0.00 0.00 33.01 31.49 2k1f s GLN 85 CO 0.00 0.26 0.55 -0.08 -0.55 0.00 0.00 175.29 175.48 2k1f s THR 86 N -1.82 4.62 0.00 -0.34 -1.32 -1.26 -4.89 115.64 110.63 2k1f s THR 86 Ca 0.49 -0.62 0.00 0.00 -1.21 0.00 0.00 61.69 60.35 2k1f s THR 86 Cb -0.12 -3.67 0.00 0.00 -1.51 0.00 0.00 72.50 67.20 2k1f s THR 86 CO 0.19 -0.40 0.00 0.61 -2.21 0.00 0.00 174.62 172.81 2k1f n GLY 87 N -1.81 -1.90 0.00 6.08 0.00 -1.26 -5.10 105.19 101.20 2k1f n GLY 87 Ca -0.03 0.87 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