#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mk0 s LYS 2 N 0.00 2.12 0.37 0.03 -2.85 -1.26 -5.00 119.74 113.16 1mk0 s LYS 2 Ca 0.00 -0.52 0.08 0.00 -1.00 0.00 0.00 55.97 54.53 1mk0 s LYS 2 Cb 0.00 -1.83 -0.05 0.00 -2.06 0.00 0.00 37.83 33.88 1mk0 s LYS 2 CO 0.00 -0.08 0.09 -1.54 0.10 0.00 0.00 175.35 173.92 1mk0 s SER 3 N 1.04 4.30 0.00 0.03 1.04 -1.22 -1.01 113.70 117.87 1mk0 s SER 3 Ca -0.06 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.34 1mk0 s SER 3 Cb -0.15 -0.52 0.00 0.00 0.10 0.00 0.00 66.02 65.45 1mk0 s SER 3 CO -0.02 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.43 1mk0 n GLY 4 N -1.08 0.62 3.77 7.32 0.00 -0.73 -1.69 105.19 113.40 1mk0 n GLY 4 Ca -0.03 -1.62 -0.36 0.00 0.00 0.00 0.00 46.02 44.01 1mk0 n GLY 4 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mk0 s ILE 5 N -3.37 4.84 0.23 -0.61 -1.09 0.74 -1.10 121.20 120.84 1mk0 s ILE 5 Ca 0.00 -0.07 0.00 0.00 -2.23 0.00 0.00 60.65 58.35 1mk0 s ILE 5 Cb 0.00 -3.08 -0.05 0.00 -1.58 0.00 0.00 42.46 37.75 1mk0 s ILE 5 CO 0.00 0.59 0.11 -0.72 -1.23 0.00 0.00 174.94 173.69 1mk0 s TYR 6 N -0.97 1.38 0.03 3.97 -0.85 -0.12 -0.44 117.35 120.35 1mk0 s TYR 6 Ca 0.15 -1.27 0.04 0.00 -0.52 0.00 0.00 57.07 55.46 1mk0 s TYR 6 Cb -0.12 -0.75 -0.02 0.00 0.38 0.00 0.00 41.96 41.45 1mk0 s TYR 6 CO 0.04 -0.47 -0.12 1.14 -1.52 0.00 0.00 175.55 174.62 1mk0 s GLN 7 N -4.08 0.79 -0.25 -3.49 -2.07 -0.38 -1.47 119.66 108.72 1mk0 s GLN 7 Ca 0.38 -0.69 0.02 0.00 -1.82 0.00 0.00 55.36 53.25 1mk0 s GLN 7 Cb 0.07 -0.76 0.05 0.00 -1.09 0.00 0.00 33.01 31.29 1mk0 s GLN 7 CO 0.13 0.18 -0.11 0.42 -1.32 0.00 0.00 175.29 174.60 1mk0 s ILE 8 N -0.87 2.32 -0.14 3.63 1.01 0.47 -1.70 121.20 125.92 1mk0 s ILE 8 Ca -0.01 -1.43 -0.03 0.00 0.00 0.00 0.00 60.65 59.18 1mk0 s ILE 8 Cb -0.08 -2.28 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 1mk0 s ILE 8 CO 0.01 0.08 -0.05 -0.75 0.00 0.00 0.00 174.94 174.23 1mk0 s LYS 9 N 1.17 3.50 -0.19 2.79 2.20 0.25 -0.76 119.74 128.70 1mk0 s LYS 9 Ca -0.05 -0.54 -0.29 0.00 -0.36 0.00 0.00 55.97 54.73 1mk0 s LYS 9 Cb -0.18 -2.84 -0.01 0.00 -1.51 0.00 0.00 37.83 33.29 1mk0 s LYS 9 CO -0.06 0.31 1.23 1.21 -0.36 0.00 0.00 175.35 177.68 1mk0 s ASN 10 N 0.16 6.94 0.00 1.43 3.84 0.06 -0.53 114.94 126.83 1mk0 s ASN 10 Ca -0.02 1.58 0.18 0.00 0.21 0.00 0.00 52.86 54.81 1mk0 s ASN 10 Cb -0.14 -2.54 0.85 0.00 -0.55 0.00 0.00 41.25 38.88 1mk0 s ASN 10 CO 0.03 -0.78 1.57 0.35 -2.79 0.00 0.00 177.10 175.48 1mk0 n THR 11 N 5.46 0.60 -0.02 -5.21 -2.24 -0.50 -0.18 114.28 112.19 1mk0 n THR 11 Ca 0.14 0.15 -0.08 0.00 -2.27 0.00 0.00 64.05 61.98 1mk0 n THR 11 Cb 0.45 -0.84 -0.14 0.00 -2.10 0.00 0.00 70.33 67.70 1mk0 n THR 11 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1mk0 h LEU 12 N 0.00 0.00 -0.50 3.22 3.38 -1.91 -3.41 115.31 116.09 1mk0 h LEU 12 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1mk0 h LEU 12 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1mk0 h LEU 12 CO 0.00 1.00 0.00 -0.46 0.09 0.00 0.00 178.44 179.07 1mk0 n ASN 13 N -3.06 0.27 -0.07 -0.43 0.23 -1.18 -5.03 115.26 106.00 1mk0 n ASN 13 Ca -0.16 -1.05 -0.01 0.00 -0.53 0.00 0.00 54.58 52.83 1mk0 n ASN 13 Cb 1.04 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 38.74 1mk0 n ASN 13 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1mk0 n ASN 14 N -0.03 -5.00 -4.78 0.53 3.02 0.74 -4.99 115.26 104.76 1mk0 n ASN 14 Ca 0.00 0.02 -0.36 0.00 -0.03 0.00 0.00 54.58 54.21 1mk0 n ASN 14 Cb 0.25 -2.58 -0.03 0.00 -0.61 0.00 0.00 39.78 36.81 1mk0 n ASN 14 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1mk0 s LYS 15 N -1.46 4.01 0.21 3.52 1.02 -1.25 -4.74 119.74 121.05 1mk0 s LYS 15 Ca 0.00 1.54 0.06 0.00 0.02 0.00 0.00 55.97 57.59 1mk0 s LYS 15 Cb 0.00 -2.43 -0.05 0.00 -0.52 0.00 0.00 37.83 34.83 1mk0 s LYS 15 CO 0.00 -0.28 -0.09 0.14 -0.92 0.00 0.00 175.35 174.19 1mk0 s VAL 16 N -1.69 1.47 -0.13 3.17 -7.23 -1.26 -0.77 120.40 113.96 1mk0 s VAL 16 Ca 0.61 -2.13 0.02 0.00 -1.81 0.00 0.00 61.98 58.67 1mk0 s VAL 16 Cb -0.22 -2.14 0.01 0.00 0.56 0.00 0.00 36.38 34.59 1mk0 s VAL 16 CO 0.28 -0.52 -0.20 -0.47 -0.31 0.00 0.00 175.10 173.87 1mk0 s TYR 17 N -3.13 2.51 -0.15 2.82 5.04 0.06 -1.05 117.35 123.44 1mk0 s TYR 17 Ca 0.24 -1.26 -0.06 0.00 -2.44 0.00 0.00 57.07 53.55 1mk0 s TYR 17 Cb 0.02 -1.73 -0.04 0.00 0.35 0.00 0.00 41.96 40.56 1mk0 s TYR 17 CO 0.07 -0.59 0.07 0.08 -1.34 0.00 0.00 175.55 173.84 1mk0 s VAL 18 N 0.87 4.87 0.33 3.14 1.01 -1.26 -0.40 120.40 128.96 1mk0 s VAL 18 Ca -0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.89 1mk0 s VAL 18 Cb -0.15 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.07 1mk0 s VAL 18 CO -0.02 0.52 0.44 0.61 0.00 0.00 0.00 175.10 176.65 1mk0 n GLY 19 N 2.98 2.25 3.19 4.51 0.00 -0.54 -4.95 105.19 112.63 1mk0 n GLY 19 Ca -0.18 -1.63 -0.19 0.00 0.00 0.00 0.00 46.02 44.03 1mk0 n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1mk0 s SER 20 N -3.05 1.79 -0.01 1.61 1.04 -1.26 -0.95 113.70 112.88 1mk0 s SER 20 Ca 0.28 -0.64 -0.12 0.00 0.48 0.00 0.00 55.95 55.96 1mk0 s SER 20 Cb -0.01 -0.06 0.01 0.00 0.10 0.00 0.00 66.02 66.07 1mk0 s SER 20 CO 0.20 -0.07 0.24 0.00 0.98 0.00 0.00 173.24 174.59 1mk0 s ALA 21 N -1.33 -0.60 0.14 5.32 0.00 -0.26 -4.98 121.76 120.05 1mk0 s ALA 21 Ca -0.00 0.15 -0.01 0.00 0.00 0.00 0.00 51.96 52.10 1mk0 s ALA 21 Cb -0.10 0.08 -0.09 0.00 0.00 0.00 0.00 23.12 23.02 1mk0 s ALA 21 CO 0.03 -0.24 1.31 -0.22 0.00 0.00 0.00 175.76 176.64 1mk0 h LYS 22 N 4.06 0.27 -2.88 0.00 1.63 -1.88 -1.95 116.57 115.82 1mk0 h LYS 22 Ca -0.30 -0.32 -0.29 0.00 -0.85 0.00 0.00 60.65 58.89 1mk0 h LYS 22 Cb 1.18 0.10 -0.35 0.00 -0.60 0.00 0.00 32.23 32.56 1mk0 h LYS 22 CO 0.40 1.05 -0.62 0.34 -3.45 0.00 0.00 179.45 177.17 1mk0 s ASP 23 N -7.01 0.90 0.10 4.20 2.15 -1.23 -3.42 116.67 112.36 1mk0 s ASP 23 Ca -0.04 0.20 -0.34 0.00 0.43 0.00 0.00 52.55 52.80 1mk0 s ASP 23 Cb 0.09 0.38 -0.14 0.00 -0.30 0.00 0.00 42.92 42.95 1mk0 s ASP 23 CO 0.85 -0.27 1.58 -0.26 -0.17 0.00 0.00 175.17 176.90 1mk0 h PHE 24 N 8.34 -1.30 -0.60 -5.34 0.04 -1.34 -1.53 116.94 115.21 1mk0 h PHE 24 Ca -0.14 0.02 0.11 0.00 2.80 0.00 0.00 57.97 60.76 1mk0 h PHE 24 Cb 1.13 0.53 -0.09 0.00 2.20 0.00 0.00 35.95 39.72 1mk0 h PHE 24 CO 0.32 -0.60 0.12 1.49 -0.60 0.00 0.00 178.31 179.05 1mk0 h GLU 25 N -0.84 0.24 -0.21 1.51 4.57 -1.98 -0.57 114.58 117.31 1mk0 h GLU 25 Ca -0.02 -0.01 -0.15 0.00 -1.18 0.00 0.00 59.36 57.99 1mk0 h GLU 25 Cb 0.78 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.30 1mk0 h GLU 25 CO -0.15 0.16 -0.51 0.87 -1.18 0.00 0.00 179.01 178.21 1mk0 h LYS 26 N 0.25 0.58 -0.58 1.92 1.57 -1.96 -2.16 116.57 116.19 1mk0 h LYS 26 Ca 0.32 -0.35 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1mk0 h LYS 26 Cb 0.48 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1mk0 h LYS 26 CO -0.41 0.95 0.13 -0.09 -0.57 0.00 0.00 179.45 179.46 1mk0 h ARG 27 N 0.46 0.93 -0.68 3.15 9.65 -0.50 -1.20 114.38 126.20 1mk0 h ARG 27 Ca 0.02 -0.23 -0.07 0.00 -1.10 0.00 0.00 59.98 58.60 1mk0 h ARG 27 Cb 1.04 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 29.48 1mk0 h ARG 27 CO 0.10 0.87 0.14 -1.49 2.80 0.00 0.00 179.97 182.38 1mk0 h TRP 28 N 0.84 1.16 -0.80 2.20 6.55 -1.06 -1.37 115.95 123.47 1mk0 h TRP 28 Ca 0.18 -0.15 -0.04 0.00 0.95 0.00 0.00 58.89 59.84 1mk0 h TRP 28 Cb 0.36 -0.32 -0.04 0.00 -0.86 0.00 0.00 29.16 28.30 1mk0 h TRP 28 CO 0.03 0.95 0.35 0.87 -1.05 0.00 0.00 178.44 179.59 1mk0 h LYS 29 N 1.03 1.18 -0.55 0.49 1.57 -1.11 -2.53 116.57 116.65 1mk0 h LYS 29 Ca 0.21 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 1mk0 h LYS 29 Cb 0.40 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1mk0 h LYS 29 CO 0.01 0.93 0.08 -0.09 -0.57 0.00 0.00 179.45 179.81 1mk0 h ARG 30 N 1.15 0.88 -0.32 3.15 2.43 -0.71 -1.85 114.38 119.11 1mk0 h ARG 30 Ca 0.27 -0.21 0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1mk0 h ARG 30 Cb 0.17 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 1mk0 h ARG 30 CO -0.03 0.83 0.16 0.45 -1.51 0.00 0.00 179.97 179.87 1mk0 h HIS 31 N 0.84 0.30 -0.00 2.20 3.86 -0.84 -0.68 115.15 120.82 1mk0 h HIS 31 Ca 0.17 0.01 -0.14 0.00 -1.16 0.00 0.00 60.37 59.26 1mk0 h HIS 31 Cb 0.38 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.74 1mk0 h HIS 31 CO 0.02 0.16 -0.66 0.74 0.86 0.00 0.00 177.93 179.06 1mk0 h PHE 32 N 0.33 0.02 -0.59 2.45 0.04 -1.32 -0.73 116.94 117.14 1mk0 h PHE 32 Ca 0.13 -0.01 -0.10 0.00 2.80 0.00 0.00 57.97 60.79 1mk0 h PHE 32 Cb 0.04 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.17 1mk0 h PHE 32 CO -0.09 0.66 -0.04 0.87 -0.60 0.00 0.00 178.31 179.11 1mk0 h LYS 33 N 0.01 1.06 -0.42 1.51 1.57 -1.07 -1.77 116.57 117.46 1mk0 h LYS 33 Ca -0.01 -0.36 -0.06 0.00 -1.87 0.00 0.00 60.65 58.35 1mk0 h LYS 33 Cb 1.16 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 1mk0 h LYS 33 CO 0.09 1.06 0.01 -0.44 -0.57 0.00 0.00 179.45 179.60 1mk0 h ASP 34 N 0.96 0.71 -0.60 0.86 5.19 -0.88 -2.17 116.42 120.47 1mk0 h ASP 34 Ca 0.16 -0.30 -0.03 0.00 -0.62 0.00 0.00 57.03 56.24 1mk0 h ASP 34 Cb 0.60 -0.19 -0.03 0.00 0.18 0.00 0.00 39.33 39.89 1mk0 h ASP 34 CO 0.04 0.83 0.27 -0.07 -3.12 0.00 0.00 179.24 177.19 1mk0 h LEU 35 N 0.56 0.83 -0.87 1.55 3.38 -0.99 -1.13 115.31 118.64 1mk0 h LEU 35 Ca 0.12 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 1mk0 h LEU 35 Cb 0.46 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1mk0 h LEU 35 CO 0.02 0.73 -0.37 -0.33 0.09 0.00 0.00 178.44 178.58 1mk0 h GLU 36 N 0.90 0.39 0.00 1.13 5.08 -1.16 -2.04 114.58 118.87 1mk0 h GLU 36 Ca 0.22 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1mk0 h GLU 36 Cb 0.15 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1mk0 h GLU 36 CO -0.02 0.71 0.00 1.63 -1.00 0.00 0.00 179.01 180.32 1mk0 n LYS 37 N -4.05 0.08 -1.18 2.33 5.02 -0.83 -4.92 118.16 114.61 1mk0 n LYS 37 Ca -0.01 0.02 -0.06 0.00 -2.02 0.00 0.00 58.31 56.24 1mk0 n LYS 37 Cb 0.47 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.95 1mk0 n LYS 37 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mk0 n GLY 38 N 1.31 0.85 0.57 0.72 0.00 -0.49 -4.93 105.19 103.22 1mk0 n GLY 38 Ca 0.08 -0.62 0.06 0.00 0.00 0.00 0.00 46.02 45.54 1mk0 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mk0 s HIS 40 N -3.04 2.35 0.44 0.00 2.46 -1.24 -4.91 115.29 111.35 1mk0 s HIS 40 Ca 0.37 1.47 0.27 0.00 0.47 0.00 0.00 55.06 57.64 1mk0 s HIS 40 Cb 0.36 -3.61 1.50 0.00 -0.13 0.00 0.00 32.58 30.69 1mk0 s HIS 40 CO -0.06 -2.48 2.10 0.66 -2.47 0.00 0.00 174.74 172.49 1mk0 h SER 41 N 1.13 0.00 -3.62 9.88 4.64 -1.97 -3.40 113.55 120.21 1mk0 h SER 41 Ca -0.51 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.12 1mk0 h SER 41 Cb 1.30 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.15 1mk0 h SER 41 CO 0.56 0.10 -0.55 -0.55 -0.87 0.00 0.00 176.83 175.52 1mk0 s SER 42 N -6.19 5.57 0.50 4.97 0.15 -1.26 -4.95 113.70 112.49 1mk0 s SER 42 Ca -0.03 -0.81 0.16 0.00 0.70 0.00 0.00 55.95 55.97 1mk0 s SER 42 Cb 0.14 -1.99 1.20 0.00 -1.71 0.00 0.00 66.02 63.66 1mk0 s SER 42 CO 0.58 -0.29 2.09 -0.29 1.20 0.00 0.00 173.24 176.53 1mk0 h ILE 43 N 5.82 1.01 -0.24 6.45 2.10 -1.90 -0.15 117.51 130.62 1mk0 h ILE 43 Ca -0.28 -0.25 -0.10 0.00 1.08 0.00 0.00 64.86 65.31 1mk0 h ILE 43 Cb 1.12 1.14 -0.00 0.00 -1.09 0.00 0.00 36.82 37.98 1mk0 h ILE 43 CO 0.64 0.07 -0.25 0.11 -1.08 0.00 0.00 178.15 177.64 1mk0 h LYS 44 N 0.00 0.58 -0.38 2.19 1.57 -1.92 0.47 116.57 119.09 1mk0 h LYS 44 Ca -0.00 -0.31 -0.15 0.00 -1.87 0.00 0.00 60.65 58.31 1mk0 h LYS 44 Cb 0.13 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1mk0 h LYS 44 CO 0.01 0.91 -0.37 1.25 -0.57 0.00 0.00 179.45 180.68 1mk0 h LEU 45 N 0.28 0.95 -0.65 2.94 5.85 -1.66 -2.30 115.31 120.72 1mk0 h LEU 45 Ca 0.04 -0.42 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1mk0 h LEU 45 Cb 0.80 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1mk0 h LEU 45 CO 0.06 1.21 0.41 -0.61 -0.34 0.00 0.00 178.44 179.17 1mk0 h GLN 46 N 0.74 0.88 -0.46 1.25 5.75 -0.94 0.11 115.11 122.43 1mk0 h GLN 46 Ca 0.07 -0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 1mk0 h GLN 46 Cb 0.95 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 29.29 1mk0 h GLN 46 CO 0.09 0.61 0.21 0.00 -2.65 0.00 0.00 178.83 177.09 1mk0 h ARG 47 N 0.89 0.68 -0.45 1.69 3.08 -0.77 0.86 114.38 120.35 1mk0 h ARG 47 Ca 0.24 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 60.15 1mk0 h ARG 47 Cb -0.06 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 1mk0 h ARG 47 CO -0.05 0.58 0.15 1.03 -1.07 0.00 0.00 179.97 180.62 1mk0 h SER 48 N 0.61 0.65 -0.29 7.04 0.87 -1.10 -2.31 113.55 119.02 1mk0 h SER 48 Ca 0.16 -0.20 -0.06 0.00 -1.23 0.00 0.00 61.79 60.46 1mk0 h SER 48 Cb 0.14 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.91 1mk0 h SER 48 CO -0.02 0.67 -0.02 0.15 -0.53 0.00 0.00 176.83 177.08 1mk0 h PHE 49 N 0.59 0.68 0.00 2.24 3.04 -0.76 0.03 116.94 122.75 1mk0 h PHE 49 Ca 0.15 -0.09 -0.06 0.00 3.98 0.00 0.00 57.97 61.95 1mk0 h PHE 49 Cb 0.25 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.56 1mk0 h PHE 49 CO 0.01 0.66 -0.28 -0.91 -2.02 0.00 0.00 178.31 175.77 1mk0 h ASN 50 N 0.60 0.00 0.76 0.41 2.35 -0.48 0.54 115.58 119.76 1mk0 h ASN 50 Ca 0.12 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.68 1mk0 h ASN 50 Cb 0.42 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.75 1mk0 h ASN 50 CO 0.02 0.28 -1.36 0.11 -1.65 0.00 0.00 177.43 174.83 1mk0 h LYS 51 N 0.00 0.00 0.00 0.81 1.57 -0.84 -3.42 116.57 114.70 1mk0 h LYS 51 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1mk0 h LYS 51 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1mk0 h LYS 51 CO 0.04 0.40 -0.38 0.72 -0.57 0.00 0.00 179.45 179.66 1mk0 n HIS 52 N -2.99 0.00 -4.23 -1.35 8.25 -0.07 -5.11 115.22 109.72 1mk0 n HIS 52 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1mk0 n HIS 52 Cb 0.88 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.99 1mk0 n HIS 52 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1mk0 n GLY 53 N 1.20 -0.80 3.56 -1.41 0.00 0.19 -4.42 105.19 103.51 1mk0 n GLY 53 Ca 0.00 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 1mk0 n GLY 53 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1mk0 s ASN 54 N -4.00 6.72 -0.28 1.61 3.04 -1.26 -4.62 114.94 116.14 1mk0 s ASN 54 Ca 0.00 -2.09 0.11 0.00 0.04 0.00 0.00 52.86 50.92 1mk0 s ASN 54 Cb 0.00 -2.56 0.61 0.00 -1.54 0.00 0.00 41.25 37.76 1mk0 s ASN 54 CO 0.00 -1.27 1.60 1.33 -3.04 0.00 0.00 177.10 175.73 1mk0 n VAL 55 N 6.44 2.66 -3.98 -5.21 0.24 -1.26 -5.01 118.33 112.21 1mk0 n VAL 55 Ca 0.41 -2.07 -0.22 0.00 -2.04 0.00 0.00 64.34 60.42 1mk0 n VAL 55 Cb 0.48 -0.33 -0.02 0.00 -1.47 0.00 0.00 33.84 32.50 1mk0 n VAL 55 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1mk0 s PHE 56 N -3.05 3.43 -0.10 6.34 0.40 -1.26 -1.41 117.98 122.33 1mk0 s PHE 56 Ca 0.48 -0.00 0.02 0.00 -0.60 0.00 0.00 56.93 56.83 1mk0 s PHE 56 Cb 0.41 -1.57 0.01 0.00 0.51 0.00 0.00 43.02 42.38 1mk0 s PHE 56 CO 0.08 0.46 -0.14 -1.21 0.70 0.00 0.00 175.22 175.10 1mk0 s GLU 57 N -3.84 2.10 -0.17 0.44 2.02 0.31 -4.91 118.70 114.65 1mk0 s GLU 57 Ca 0.34 -0.52 -0.08 0.00 0.02 0.00 0.00 54.97 54.73 1mk0 s GLU 57 Cb -0.09 -1.79 -0.04 0.00 0.10 0.00 0.00 34.13 32.30 1mk0 s GLU 57 CO 0.29 -0.06 0.11 0.00 0.02 0.00 0.00 175.26 175.62 1mk0 s SER 59 N -0.10 0.19 0.01 0.00 1.04 -0.69 -5.02 113.70 109.14 1mk0 s SER 59 Ca 0.09 -0.57 -0.23 0.00 0.48 0.00 0.00 55.95 55.72 1mk0 s SER 59 Cb -0.12 0.23 -0.05 0.00 0.10 0.00 0.00 66.02 66.19 1mk0 s SER 59 CO 0.00 -0.53 0.71 -0.63 0.98 0.00 0.00 173.24 173.77 1mk0 s ILE 60 N -2.77 4.84 -0.21 -1.02 1.01 -1.26 -1.24 121.20 120.54 1mk0 s ILE 60 Ca -0.04 1.49 -0.10 0.00 0.00 0.00 0.00 60.65 62.00 1mk0 s ILE 60 Cb -0.00 -4.05 -0.19 0.00 0.01 0.00 0.00 42.46 38.22 1mk0 s ILE 60 CO -0.05 0.36 0.04 0.18 0.00 0.00 0.00 174.94 175.46 1mk0 n LEU 61 N 2.97 2.36 -3.67 2.97 4.77 0.42 -4.90 117.00 121.91 1mk0 n LEU 61 Ca -0.03 0.22 -0.09 0.00 -0.03 0.00 0.00 56.01 56.07 1mk0 n LEU 61 Cb 0.51 -0.97 -0.10 0.00 -2.33 0.00 0.00 43.42 40.53 1mk0 n LEU 61 CO 0.46 0.66 0.02 -1.61 -1.33 0.00 0.00 177.39 175.59 1mk0 s GLU 62 N -2.49 0.33 -0.36 3.23 2.02 -0.78 -4.99 118.70 115.68 1mk0 s GLU 62 Ca -0.31 0.93 -0.21 0.00 0.02 0.00 0.00 54.97 55.41 1mk0 s GLU 62 Cb 0.09 0.19 0.00 0.00 0.10 0.00 0.00 34.13 34.51 1mk0 s GLU 62 CO 0.62 -0.22 0.65 -2.00 0.02 0.00 0.00 175.26 174.33 1mk0 s GLU 63 N 2.19 3.68 0.10 1.61 2.12 -1.26 -0.18 118.70 126.97 1mk0 s GLU 63 Ca -0.04 0.07 -0.08 0.00 0.36 0.00 0.00 54.97 55.28 1mk0 s GLU 63 Cb -0.11 -3.81 -0.01 0.00 0.26 0.00 0.00 34.13 30.47 1mk0 s GLU 63 CO -0.12 -0.74 0.20 0.96 -0.54 0.00 0.00 175.26 175.01 1mk0 s ILE 64 N 2.73 0.13 0.43 -3.70 -4.36 -0.68 -4.94 121.20 110.81 1mk0 s ILE 64 Ca 0.25 -1.26 -0.26 0.00 -0.26 0.00 0.00 60.65 59.12 1mk0 s ILE 64 Cb -0.14 -1.46 -0.09 0.00 1.25 0.00 0.00 42.46 42.01 1mk0 s ILE 64 CO 0.15 -0.59 1.41 -2.65 0.24 0.00 0.00 174.94 173.50 1mk0 n PRO 65 N -0.09 2.28 -2.42 0.37 -0.02 -1.26 -2.91 135.00 130.96 1mk0 n PRO 65 Ca -0.13 0.81 -0.43 0.00 -2.02 0.00 0.00 63.50 61.73 1mk0 n PRO 65 Cb 0.62 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 1mk0 n PRO 65 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1mk0 n TYR 66 N -0.06 4.18 -4.98 6.00 4.19 -1.26 -4.62 117.16 120.61 1mk0 n TYR 66 Ca 0.05 -2.99 -0.31 0.00 3.31 0.00 0.00 57.90 57.96 1mk0 n TYR 66 Cb 0.40 -2.40 -0.17 0.00 0.49 0.00 0.00 39.34 37.66 1mk0 n TYR 66 CO 0.00 0.00 0.00 -1.21 0.91 0.00 0.00 176.86 176.56 1mk0 s GLU 67 N 2.72 2.77 0.17 2.98 0.41 -1.26 -5.04 118.70 121.46 1mk0 s GLU 67 Ca 0.47 -0.78 -0.29 0.00 -0.41 0.00 0.00 54.97 53.97 1mk0 s GLU 67 Cb 0.06 -2.15 -0.01 0.00 -1.78 0.00 0.00 34.13 30.24 1mk0 s GLU 67 CO 0.01 0.11 1.54 -0.22 -0.49 0.00 0.00 175.26 176.21 1mk0 h LYS 68 N 6.90 -0.02 -0.14 1.61 3.64 -1.98 0.00 116.57 126.58 1mk0 h LYS 68 Ca -0.24 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.19 1mk0 h LYS 68 Cb 1.22 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.98 1mk0 h LYS 68 CO 0.48 -0.01 -0.32 -0.44 -2.27 0.00 0.00 179.45 176.90 1mk0 h ASP 69 N -0.02 -0.99 -0.10 4.20 3.32 -1.98 -1.49 116.42 119.36 1mk0 h ASP 69 Ca 0.19 0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.38 1mk0 h ASP 69 Cb 0.45 0.42 -0.00 0.00 0.22 0.00 0.00 39.33 40.42 1mk0 h ASP 69 CO -0.93 -0.36 0.05 -0.07 -1.72 0.00 0.00 179.24 176.22 1mk0 h LEU 70 N -0.39 0.13 -0.08 1.55 3.38 -1.78 -3.04 115.31 115.09 1mk0 h LEU 70 Ca 0.10 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1mk0 h LEU 70 Cb 0.54 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1mk0 h LEU 70 CO -0.36 0.19 0.02 0.40 0.09 0.00 0.00 178.44 178.78 1mk0 h ILE 71 N 0.06 0.97 -0.38 1.22 1.08 -0.80 -1.60 117.51 118.06 1mk0 h ILE 71 Ca 0.04 -0.02 -0.00 0.00 -0.39 0.00 0.00 64.86 64.49 1mk0 h ILE 71 Cb 0.09 0.91 -0.02 0.00 -3.07 0.00 0.00 36.82 34.73 1mk0 h ILE 71 CO -0.01 0.01 0.24 0.40 -0.69 0.00 0.00 178.15 178.10 1mk0 h ILE 72 N 0.05 1.12 -0.30 -0.67 2.04 -1.33 0.28 117.51 118.70 1mk0 h ILE 72 Ca 0.04 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1mk0 h ILE 72 Cb 0.03 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1mk0 h ILE 72 CO -0.05 0.12 0.16 -0.08 0.00 0.00 0.00 178.15 178.30 1mk0 h GLU 73 N 0.50 0.43 -0.14 2.37 4.81 -1.43 -1.02 114.58 120.11 1mk0 h GLU 73 Ca 0.14 -0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 59.15 1mk0 h GLU 73 Cb -0.01 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1mk0 h GLU 73 CO -0.03 0.39 -0.58 0.00 -0.73 0.00 0.00 179.01 178.07 1mk0 h ARG 74 N 0.36 0.44 -0.36 1.92 2.47 -1.14 -1.28 114.38 116.79 1mk0 h ARG 74 Ca 0.11 -0.29 -0.04 0.00 -1.26 0.00 0.00 59.98 58.50 1mk0 h ARG 74 Cb 0.09 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.44 1mk0 h ARG 74 CO -0.01 0.89 0.08 0.00 0.56 0.00 0.00 179.97 181.49 1mk0 h ALA 75 N 1.05 0.48 -0.15 0.04 0.00 -0.31 -2.15 119.26 118.22 1mk0 h ALA 75 Ca 0.00 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1mk0 h ALA 75 Cb 1.10 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1mk0 h ALA 75 CO 0.10 0.16 -0.25 -0.91 0.00 0.00 0.00 179.25 178.35 1mk0 h ASN 76 N 0.44 0.26 0.04 0.00 2.35 -1.10 -1.03 115.58 116.54 1mk0 h ASN 76 Ca 0.11 -0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1mk0 h ASN 76 Cb 0.32 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.62 1mk0 h ASN 76 CO 0.00 0.52 -0.02 0.15 -1.65 0.00 0.00 177.43 176.43 1mk0 h PHE 77 N 0.24 -0.05 -0.19 1.19 3.57 -0.90 -2.06 116.94 118.73 1mk0 h PHE 77 Ca 0.04 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.44 1mk0 h PHE 77 Cb 0.57 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 1mk0 h PHE 77 CO 0.01 -0.03 -0.30 -1.49 -2.23 0.00 0.00 178.31 174.26 1mk0 h TRP 78 N -0.05 0.44 -0.68 0.41 4.06 -1.10 0.17 115.95 119.19 1mk0 h TRP 78 Ca -0.00 -0.10 -0.02 0.00 2.06 0.00 0.00 58.89 60.82 1mk0 h TRP 78 Cb 0.04 -0.10 -0.03 0.00 -1.00 0.00 0.00 29.16 28.07 1mk0 h TRP 78 CO -0.08 0.65 0.34 0.82 -3.56 0.00 0.00 178.44 176.61 1mk0 h ILE 79 N 0.34 1.22 -0.03 1.49 2.04 -1.01 0.14 117.51 121.70 1mk0 h ILE 79 Ca 0.04 -0.62 -0.16 0.00 1.00 0.00 0.00 64.86 65.12 1mk0 h ILE 79 Cb 0.71 0.38 0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1mk0 h ILE 79 CO 0.05 0.26 -0.62 0.50 0.00 0.00 0.00 178.15 178.34 1mk0 h LYS 80 N 0.94 0.48 -0.86 2.37 3.64 -1.16 -0.28 116.57 121.71 1mk0 h LYS 80 Ca 0.23 -0.47 0.04 0.00 -1.27 0.00 0.00 60.65 59.19 1mk0 h LYS 80 Cb 0.10 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.99 1mk0 h LYS 80 CO -0.03 1.11 0.54 1.49 -2.27 0.00 0.00 179.45 180.30 1mk0 h GLU 81 N 0.02 1.01 -0.32 1.90 4.57 -0.50 -1.92 114.58 119.34 1mk0 h GLU 81 Ca -0.07 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 1mk0 h GLU 81 Cb 1.31 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 1mk0 h GLU 81 CO 0.12 0.67 0.00 1.28 -1.18 0.00 0.00 179.01 179.90 1mk0 n LEU 82 N -4.57 2.75 -4.09 1.64 4.77 0.02 -4.95 117.00 112.58 1mk0 n LEU 82 Ca 0.11 -1.19 -0.30 0.00 -0.03 0.00 0.00 56.01 54.60 1mk0 n LEU 82 Cb 0.12 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 1mk0 n LEU 82 CO 0.33 0.59 -0.15 -3.20 -1.33 0.00 0.00 177.39 173.64 1mk0 n ASN 83 N 1.03 -1.67 0.00 -1.43 5.15 -0.55 -4.83 115.26 112.96 1mk0 n ASN 83 Ca 0.18 -1.01 0.11 0.00 -0.60 0.00 0.00 54.58 53.25 1mk0 n ASN 83 Cb 0.49 -2.88 0.65 0.00 -0.53 0.00 0.00 39.78 37.51 1mk0 n ASN 83 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1mk0 n SER 84 N -2.84 0.00 -0.09 1.20 3.41 -0.22 -1.24 113.62 113.84 1mk0 n SER 84 Ca -0.14 -1.02 -0.10 0.00 -0.26 0.00 0.00 58.87 57.35 1mk0 n SER 84 Cb 0.60 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.51 1mk0 n SER 84 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1mk0 n LYS 85 N -0.90 0.52 -0.16 4.33 5.02 -1.26 -1.30 118.16 124.41 1mk0 n LYS 85 Ca 0.16 0.29 -0.10 0.00 -2.02 0.00 0.00 58.31 56.65 1mk0 n LYS 85 Cb 0.08 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.58 1mk0 n LYS 85 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1mk0 h ILE 86 N -1.00 1.25 -0.10 -0.18 2.04 -1.87 -3.27 117.51 114.39 1mk0 h ILE 86 Ca -0.07 -0.96 -0.05 0.00 1.00 0.00 0.00 64.86 64.79 1mk0 h ILE 86 Cb 0.96 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 38.00 1mk0 h ILE 86 CO -0.04 0.33 -0.33 -3.20 0.00 0.00 0.00 178.15 174.91 1mk0 n ASN 87 N -4.43 2.03 -0.04 1.72 5.15 -0.37 -5.04 115.26 114.27 1mk0 n ASN 87 Ca 0.00 -3.77 0.00 0.00 -0.60 0.00 0.00 54.58 50.22 1mk0 n ASN 87 Cb 0.27 -0.55 0.00 0.00 -0.53 0.00 0.00 39.78 38.97 1mk0 n ASN 87 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1mk0 n GLY 88 N -1.14 4.59 0.73 8.20 0.00 -1.11 -4.36 105.19 112.11 1mk0 n GLY 88 Ca 0.22 -1.27 0.11 0.00 0.00 0.00 0.00 46.02 45.08 1mk0 n GLY 88 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1mk0 n TYR 89 N 0.00 0.00 -2.55 1.61 4.02 -0.22 -4.66 117.16 115.36 1mk0 n TYR 89 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.48 1mk0 n TYR 89 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.28 1mk0 n TYR 89 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 1mk0 s ASN 90 N -1.96 7.32 0.00 7.72 -0.87 -0.42 -4.43 114.94 122.30 1mk0 s ASN 90 Ca 0.23 2.07 0.23 0.00 -1.57 0.00 0.00 52.86 53.82 1mk0 s ASN 90 Cb 0.18 -2.61 0.09 0.00 -0.02 0.00 0.00 41.25 38.89 1mk0 s ASN 90 CO 0.35 -0.16 1.16 2.30 -2.57 0.00 0.00 177.10 178.18 1mk0 n ILE 91 N 2.19 0.00 -3.89 0.60 -5.35 -1.26 -4.31 119.36 107.33 1mk0 n ILE 91 Ca 0.02 -0.31 -0.01 0.00 -0.27 0.00 0.00 62.75 62.18 1mk0 n ILE 91 Cb 0.46 1.27 0.01 0.00 -1.74 0.00 0.00 39.64 39.64 1mk0 n ILE 91 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1mk0 s ALA 92 N -2.36 -1.92 1.01 -1.28 0.00 -1.26 -5.13 121.76 110.82 1mk0 s ALA 92 Ca 0.21 -0.12 -0.12 0.00 0.00 0.00 0.00 51.96 51.93 1mk0 s ALA 92 Cb 0.19 0.77 0.19 0.00 0.00 0.00 0.00 23.12 24.27 1mk0 s ALA 92 CO 0.50 -1.09 1.08 -0.51 0.00 0.00 0.00 175.76 175.74 1mk0 s ASP 93 N -3.48 2.48 0.59 0.00 1.01 -1.26 -4.96 116.67 111.05 1mk0 s ASP 93 Ca 0.23 1.34 -0.20 0.00 0.71 0.00 0.00 52.55 54.63 1mk0 s ASP 93 Cb -0.01 -2.03 -0.03 0.00 1.01 0.00 0.00 42.92 41.86 1mk0 s ASP 93 CO 0.03 -3.24 1.32 0.00 0.21 0.00 0.00 175.17 173.49 1mk0 s ALA 94 N -2.85 2.62 0.32 5.23 0.00 -1.26 -5.06 121.76 120.76 1mk0 s ALA 94 Ca 0.66 1.27 0.06 0.00 0.00 0.00 0.00 51.96 53.95 1mk0 s ALA 94 Cb -0.20 -3.56 -0.06 0.00 0.00 0.00 0.00 23.12 19.30 1mk0 s ALA 94 CO 0.59 -1.46 -0.02 -0.08 0.00 0.00 0.00 175.76 174.80 1mk0 s THR 95 N -1.35 1.64 0.09 0.00 -1.32 -1.26 -5.01 115.64 108.42 1mk0 s THR 95 Ca 0.77 -2.07 0.04 0.00 -1.21 0.00 0.00 61.69 59.22 1mk0 s THR 95 Cb -0.39 -2.67 -0.03 0.00 -1.51 0.00 0.00 72.50 67.90 1mk0 s THR 95 CO 0.44 -0.15 -0.12 0.12 -2.21 0.00 0.00 174.62 172.70 1mk0 s PHE 96 N -3.00 1.13 0.00 9.09 5.36 -1.26 -4.89 117.98 124.41 1mk0 s PHE 96 Ca 0.33 -0.56 0.00 0.00 -0.96 0.00 0.00 56.93 55.73 1mk0 s PHE 96 Cb 0.06 -0.62 0.00 0.00 -0.34 0.00 0.00 43.02 42.12 1mk0 s PHE 96 CO 0.15 0.03 0.00 0.41 -1.46 0.00 0.00 175.22 174.35