#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ln0 n LYS 2 N 0.00 3.44 -4.42 3.17 5.02 -1.26 -4.92 118.16 119.19 1ln0 n LYS 2 Ca 0.00 -2.73 -0.24 0.00 -2.02 0.00 0.00 58.31 53.32 1ln0 n LYS 2 Cb 0.00 -1.81 -0.09 0.00 -0.02 0.00 0.00 35.03 33.11 1ln0 n LYS 2 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1ln0 s SER 3 N -0.90 3.84 0.00 4.39 1.04 -1.22 -1.23 113.70 119.61 1ln0 s SER 3 Ca 0.49 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 56.02 1ln0 s SER 3 Cb 0.30 -0.45 0.00 0.00 0.10 0.00 0.00 66.02 65.98 1ln0 s SER 3 CO 0.26 0.04 0.00 0.61 0.98 0.00 0.00 173.24 175.13 1ln0 n GLY 4 N -0.58 0.90 3.87 7.32 0.00 -0.65 -1.75 105.19 114.31 1ln0 n GLY 4 Ca -0.06 -1.95 -0.37 0.00 0.00 0.00 0.00 46.02 43.64 1ln0 n GLY 4 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ln0 s ILE 5 N -2.39 5.41 0.33 -0.61 1.09 0.21 -1.56 121.20 123.69 1ln0 s ILE 5 Ca 0.00 0.30 0.04 0.00 -1.10 0.00 0.00 60.65 59.89 1ln0 s ILE 5 Cb 0.00 -3.47 -0.03 0.00 -1.06 0.00 0.00 42.46 37.90 1ln0 s ILE 5 CO 0.00 0.59 0.18 -0.72 -0.10 0.00 0.00 174.94 174.89 1ln0 s TYR 6 N -1.07 1.68 0.01 3.97 -0.85 0.70 -0.50 117.35 121.28 1ln0 s TYR 6 Ca 0.18 -1.43 -0.01 0.00 -0.52 0.00 0.00 57.07 55.29 1ln0 s TYR 6 Cb -0.13 -0.88 -0.01 0.00 0.38 0.00 0.00 41.96 41.32 1ln0 s TYR 6 CO 0.07 -0.56 0.01 1.14 -1.52 0.00 0.00 175.55 174.68 1ln0 s GLN 7 N -3.70 0.22 -0.26 -3.49 -2.07 -0.51 -1.46 119.66 108.39 1ln0 s GLN 7 Ca 0.34 -0.34 -0.01 0.00 -1.82 0.00 0.00 55.36 53.53 1ln0 s GLN 7 Cb 0.04 0.08 0.04 0.00 -1.09 0.00 0.00 33.01 32.08 1ln0 s GLN 7 CO 0.19 -0.04 -0.05 0.42 -1.32 0.00 0.00 175.29 174.49 1ln0 s ILE 8 N -0.88 2.81 -0.10 3.63 1.01 0.16 -1.91 121.20 125.91 1ln0 s ILE 8 Ca -0.10 -1.21 -0.01 0.00 0.00 0.00 0.00 60.65 59.34 1ln0 s ILE 8 Cb -0.06 -2.51 -0.03 0.00 0.01 0.00 0.00 42.46 39.88 1ln0 s ILE 8 CO -0.00 0.08 -0.06 -0.75 0.00 0.00 0.00 174.94 174.21 1ln0 s LYS 9 N 1.28 3.12 -0.44 2.79 2.20 -0.23 -0.83 119.74 127.62 1ln0 s LYS 9 Ca -0.03 -0.54 -0.27 0.00 -0.36 0.00 0.00 55.97 54.77 1ln0 s LYS 9 Cb -0.18 -2.71 0.03 0.00 -1.51 0.00 0.00 37.83 33.45 1ln0 s LYS 9 CO -0.04 0.49 1.02 1.21 -0.36 0.00 0.00 175.35 177.68 1ln0 s ASN 10 N -0.34 6.62 0.00 1.43 3.04 0.10 -0.88 114.94 124.90 1ln0 s ASN 10 Ca 0.05 0.41 0.15 0.00 0.04 0.00 0.00 52.86 53.51 1ln0 s ASN 10 Cb -0.12 -2.50 0.79 0.00 -1.54 0.00 0.00 41.25 37.88 1ln0 s ASN 10 CO 0.02 -1.09 1.42 0.35 -3.04 0.00 0.00 177.10 174.77 1ln0 n THR 11 N 6.48 0.50 0.04 -5.21 -2.24 0.29 -0.10 114.28 114.03 1ln0 n THR 11 Ca 0.09 0.12 -0.22 0.00 -2.27 0.00 0.00 64.05 61.77 1ln0 n THR 11 Cb 0.49 -0.87 -0.14 0.00 -2.10 0.00 0.00 70.33 67.70 1ln0 n THR 11 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1ln0 h LEU 12 N 0.00 0.49 -1.38 3.22 3.38 -1.91 -3.41 115.31 115.71 1ln0 h LEU 12 Ca 0.00 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.07 1ln0 h LEU 12 Cb 0.13 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1ln0 h LEU 12 CO 0.00 1.72 0.00 -0.46 0.09 0.00 0.00 178.44 179.79 1ln0 n ASN 13 N -3.74 1.08 0.00 -0.43 0.23 -1.17 -5.01 115.26 106.21 1ln0 n ASN 13 Ca -0.25 -1.25 0.00 0.00 -0.53 0.00 0.00 54.58 52.55 1ln0 n ASN 13 Cb 0.99 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.69 1ln0 n ASN 13 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1ln0 n ASN 14 N -0.12 -1.21 -4.77 0.53 3.02 0.86 -4.99 115.26 108.58 1ln0 n ASN 14 Ca 0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.17 1ln0 n ASN 14 Cb 0.12 -1.48 -0.00 0.00 -0.61 0.00 0.00 39.78 37.81 1ln0 n ASN 14 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1ln0 s LYS 15 N -0.65 3.72 0.26 3.52 1.02 -1.24 -4.70 119.74 121.66 1ln0 s LYS 15 Ca 0.00 1.88 0.04 0.00 0.02 0.00 0.00 55.97 57.91 1ln0 s LYS 15 Cb 0.00 -2.44 -0.05 0.00 -0.52 0.00 0.00 37.83 34.81 1ln0 s LYS 15 CO 0.00 -0.62 -0.00 0.14 -0.92 0.00 0.00 175.35 173.95 1ln0 s VAL 16 N -1.47 1.16 -0.17 3.17 -7.23 -1.26 -0.72 120.40 113.88 1ln0 s VAL 16 Ca 0.63 -2.04 0.01 0.00 -1.81 0.00 0.00 61.98 58.77 1ln0 s VAL 16 Cb -0.31 -2.45 0.02 0.00 0.56 0.00 0.00 36.38 34.20 1ln0 s VAL 16 CO 0.38 -0.26 -0.17 -0.47 -0.31 0.00 0.00 175.10 174.28 1ln0 s TYR 17 N -3.33 2.51 -0.11 2.82 6.14 -0.01 -0.84 117.35 124.52 1ln0 s TYR 17 Ca 0.30 -1.47 -0.11 0.00 0.64 0.00 0.00 57.07 56.43 1ln0 s TYR 17 Cb 0.06 -1.77 -0.05 0.00 0.42 0.00 0.00 41.96 40.62 1ln0 s TYR 17 CO 0.11 -0.75 0.24 0.08 0.64 0.00 0.00 175.55 175.87 1ln0 s VAL 18 N 1.38 5.33 0.24 3.14 1.01 -1.26 -0.67 120.40 129.57 1ln0 s VAL 18 Ca 0.05 0.44 -0.07 0.00 0.00 0.00 0.00 61.98 62.40 1ln0 s VAL 18 Cb -0.13 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 1ln0 s VAL 18 CO -0.12 0.53 0.33 -0.83 0.00 0.00 0.00 175.10 175.01 1ln0 s GLY 19 N -0.50 1.02 0.08 4.51 0.00 -0.53 -4.95 107.32 106.95 1ln0 s GLY 19 Ca 0.17 -1.29 0.07 0.00 0.00 0.00 0.00 44.72 43.66 1ln0 s GLY 19 CO 0.05 -0.99 -0.18 -1.35 0.00 0.00 0.00 173.10 170.64 1ln0 s SER 20 N -3.10 2.12 0.11 1.64 1.04 -1.26 -0.22 113.70 114.03 1ln0 s SER 20 Ca 0.30 -0.62 -0.17 0.00 0.48 0.00 0.00 55.95 55.94 1ln0 s SER 20 Cb 0.03 -0.11 0.04 0.00 0.10 0.00 0.00 66.02 66.07 1ln0 s SER 20 CO 0.12 0.02 0.42 0.00 0.98 0.00 0.00 173.24 174.78 1ln0 s ALA 21 N -1.13 -1.01 0.07 5.32 0.00 -0.60 -4.99 121.76 119.43 1ln0 s ALA 21 Ca 0.03 0.07 0.08 0.00 0.00 0.00 0.00 51.96 52.14 1ln0 s ALA 21 Cb -0.10 0.65 -0.22 0.00 0.00 0.00 0.00 23.12 23.45 1ln0 s ALA 21 CO 0.03 -0.62 1.10 0.87 0.00 0.00 0.00 175.76 177.14 1ln0 h LYS 22 N 2.44 0.01 -2.87 0.00 1.57 -1.87 -1.74 116.57 114.10 1ln0 h LYS 22 Ca -0.33 -0.01 -0.45 0.00 -1.87 0.00 0.00 60.65 57.98 1ln0 h LYS 22 Cb 1.25 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.17 1ln0 h LYS 22 CO 0.46 0.86 -0.74 0.34 -0.57 0.00 0.00 179.45 179.80 1ln0 s ASP 23 N -6.55 2.49 0.13 0.86 3.68 -1.19 -3.44 116.67 112.66 1ln0 s ASP 23 Ca -0.01 -0.74 -0.31 0.00 2.13 0.00 0.00 52.55 53.63 1ln0 s ASP 23 Cb 0.09 -0.15 -0.08 0.00 -1.45 0.00 0.00 42.92 41.33 1ln0 s ASP 23 CO 0.82 -0.37 1.57 -0.26 0.13 0.00 0.00 175.17 177.06 1ln0 h PHE 24 N 8.40 -1.42 -0.49 -5.34 0.04 -1.44 0.63 116.94 117.31 1ln0 h PHE 24 Ca -0.16 0.06 0.08 0.00 2.80 0.00 0.00 57.97 60.74 1ln0 h PHE 24 Cb 1.11 0.65 -0.07 0.00 2.20 0.00 0.00 35.95 39.84 1ln0 h PHE 24 CO 0.19 -0.50 0.12 0.93 -0.60 0.00 0.00 178.31 178.45 1ln0 h GLU 25 N -0.49 0.26 -0.33 1.51 5.08 -1.97 0.17 114.58 118.80 1ln0 h GLU 25 Ca 0.07 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 1ln0 h GLU 25 Cb 0.64 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1ln0 h GLU 25 CO -0.46 0.17 -0.11 0.87 -1.00 0.00 0.00 179.01 178.48 1ln0 h LYS 26 N 0.27 0.57 -0.11 2.33 1.57 -1.89 -1.38 116.57 117.93 1ln0 h LYS 26 Ca 0.24 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1ln0 h LYS 26 Cb 0.31 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 1ln0 h LYS 26 CO -0.30 0.67 -0.04 0.00 -0.57 0.00 0.00 179.45 179.21 1ln0 h ALA 27 N 1.36 0.15 -0.82 3.86 0.00 0.11 -2.26 119.26 121.66 1ln0 h ALA 27 Ca 0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1ln0 h ALA 27 Cb 0.50 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1ln0 h ALA 27 CO 0.03 -0.10 0.45 -1.49 0.00 0.00 0.00 179.25 178.15 1ln0 h TRP 28 N -0.12 1.12 -0.66 0.00 6.55 -0.53 -0.35 115.95 121.96 1ln0 h TRP 28 Ca 0.03 -0.02 -0.05 0.00 0.95 0.00 0.00 58.89 59.79 1ln0 h TRP 28 Cb 0.47 -0.36 -0.03 0.00 -0.86 0.00 0.00 29.16 28.39 1ln0 h TRP 28 CO 0.06 0.78 0.22 -0.22 -1.05 0.00 0.00 178.44 178.23 1ln0 h LYS 29 N 1.15 1.01 -0.24 0.49 3.64 -1.22 -1.54 116.57 119.86 1ln0 h LYS 29 Ca 0.29 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1ln0 h LYS 29 Cb 0.02 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1ln0 h LYS 29 CO -0.05 0.87 0.09 -0.09 -2.27 0.00 0.00 179.45 178.01 1ln0 h ARG 30 N 0.95 0.35 -0.79 1.90 9.65 -0.77 -1.13 114.38 124.54 1ln0 h ARG 30 Ca 0.21 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 59.01 1ln0 h ARG 30 Cb 0.27 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.76 1ln0 h ARG 30 CO -0.01 0.40 0.42 0.45 2.80 0.00 0.00 179.97 184.03 1ln0 h HIS 31 N 0.23 1.11 0.00 2.20 3.86 -0.92 -1.96 115.15 119.67 1ln0 h HIS 31 Ca 0.08 -0.04 -0.05 0.00 -1.16 0.00 0.00 60.37 59.21 1ln0 h HIS 31 Cb 0.18 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.30 1ln0 h HIS 31 CO -0.01 0.79 -0.22 0.74 0.86 0.00 0.00 177.93 180.08 1ln0 h PHE 32 N 1.11 0.00 -0.33 2.45 0.04 -1.18 -1.69 116.94 117.34 1ln0 h PHE 32 Ca 0.28 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.95 1ln0 h PHE 32 Cb 0.06 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 1ln0 h PHE 32 CO 0.01 0.22 -0.18 -0.22 -0.60 0.00 0.00 178.31 177.54 1ln0 h LYS 33 N 0.00 0.70 -0.59 1.51 1.63 -0.83 -1.32 116.57 117.67 1ln0 h LYS 33 Ca -0.00 -0.32 -0.05 0.00 -0.85 0.00 0.00 60.65 59.43 1ln0 h LYS 33 Cb 1.03 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.62 1ln0 h LYS 33 CO 0.03 0.92 0.18 -0.44 -3.45 0.00 0.00 179.45 176.69 1ln0 h ASP 34 N 0.47 0.86 -0.54 4.20 3.32 -1.17 -2.53 116.42 121.04 1ln0 h ASP 34 Ca 0.07 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 1ln0 h ASP 34 Cb 0.72 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 1ln0 h ASP 34 CO 0.05 0.84 0.32 -0.07 -1.72 0.00 0.00 179.24 178.67 1ln0 h LEU 35 N 0.84 0.66 -2.18 1.55 3.38 -1.17 0.30 115.31 118.69 1ln0 h LEU 35 Ca 0.19 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1ln0 h LEU 35 Cb 0.29 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1ln0 h LEU 35 CO -0.01 0.53 -0.05 -0.33 0.09 0.00 0.00 178.44 178.68 1ln0 h GLU 36 N 0.73 0.00 -0.01 1.13 5.08 -1.03 -0.73 114.58 119.74 1ln0 h GLU 36 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1ln0 h GLU 36 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ln0 h GLU 36 CO -0.04 0.05 -0.27 1.63 -1.00 0.00 0.00 179.01 179.39 1ln0 n LYS 37 N -3.97 1.28 -1.01 2.33 5.02 -0.74 -4.94 118.16 116.14 1ln0 n LYS 37 Ca -0.03 -0.93 -0.00 0.00 -2.02 0.00 0.00 58.31 55.33 1ln0 n LYS 37 Cb 0.14 -1.48 -0.00 0.00 -0.02 0.00 0.00 35.03 33.66 1ln0 n LYS 37 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ln0 n GLY 38 N 1.35 0.41 1.33 0.72 0.00 -0.28 -4.96 105.19 103.75 1ln0 n GLY 38 Ca 0.12 -1.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.09 1ln0 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ln0 s HIS 40 N -3.16 2.96 0.57 0.00 2.46 -1.21 -4.80 115.29 112.10 1ln0 s HIS 40 Ca 0.42 1.49 0.28 0.00 0.47 0.00 0.00 55.06 57.72 1ln0 s HIS 40 Cb 0.38 -3.53 1.48 0.00 -0.13 0.00 0.00 32.58 30.79 1ln0 s HIS 40 CO -0.03 -1.68 1.95 0.66 -2.47 0.00 0.00 174.74 173.17 1ln0 h SER 41 N 2.69 0.00 -3.64 9.88 4.64 -1.94 -3.36 113.55 121.81 1ln0 h SER 41 Ca -0.49 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.14 1ln0 h SER 41 Cb 1.24 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.11 1ln0 h SER 41 CO 0.63 0.00 -0.51 -0.55 -0.87 0.00 0.00 176.83 175.52 1ln0 s SER 42 N -5.61 5.78 0.51 4.97 0.15 -1.26 -4.94 113.70 113.31 1ln0 s SER 42 Ca -0.05 -0.62 0.29 0.00 0.70 0.00 0.00 55.95 56.27 1ln0 s SER 42 Cb 0.17 -2.06 1.36 0.00 -1.71 0.00 0.00 66.02 63.78 1ln0 s SER 42 CO 0.63 -0.27 2.01 -0.29 1.20 0.00 0.00 173.24 176.52 1ln0 h ILE 43 N 5.65 0.42 -0.23 6.45 2.10 -1.89 -0.71 117.51 129.30 1ln0 h ILE 43 Ca -0.30 -0.67 -0.13 0.00 1.08 0.00 0.00 64.86 64.84 1ln0 h ILE 43 Cb 1.14 1.47 -0.00 0.00 -1.09 0.00 0.00 36.82 38.34 1ln0 h ILE 43 CO 0.64 0.12 -0.37 0.11 -1.08 0.00 0.00 178.15 177.57 1ln0 h LYS 44 N 0.00 0.65 -0.37 2.19 1.57 -1.92 -0.74 116.57 117.95 1ln0 h LYS 44 Ca -0.00 -0.40 -0.13 0.00 -1.87 0.00 0.00 60.65 58.25 1ln0 h LYS 44 Cb 0.46 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1ln0 h LYS 44 CO 0.02 1.01 -0.27 1.25 -0.57 0.00 0.00 179.45 180.89 1ln0 h LEU 45 N 0.36 0.89 -0.39 2.94 5.85 -1.63 -2.17 115.31 121.15 1ln0 h LEU 45 Ca 0.02 -0.44 0.01 0.00 0.84 0.00 0.00 57.88 58.31 1ln0 h LEU 45 Cb 0.96 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 1ln0 h LEU 45 CO 0.09 1.14 0.25 -0.61 -0.34 0.00 0.00 178.44 178.96 1ln0 h GLN 46 N 0.65 0.50 -0.33 1.25 5.75 -1.08 0.40 115.11 122.25 1ln0 h GLN 46 Ca 0.07 -0.03 -0.08 0.00 -0.15 0.00 0.00 58.65 58.47 1ln0 h GLN 46 Cb 0.85 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.27 1ln0 h GLN 46 CO 0.07 0.33 -0.12 0.00 -2.65 0.00 0.00 178.83 176.46 1ln0 h ARG 47 N 0.51 0.57 -0.29 1.69 3.08 -1.10 0.17 114.38 119.01 1ln0 h ARG 47 Ca 0.15 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1ln0 h ARG 47 Cb -0.04 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1ln0 h ARG 47 CO -0.04 0.68 0.11 1.03 -1.07 0.00 0.00 179.97 180.67 1ln0 h SER 48 N 0.52 0.40 -0.19 7.04 0.87 -0.78 -1.32 113.55 120.09 1ln0 h SER 48 Ca 0.09 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 1ln0 h SER 48 Cb 0.52 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1ln0 h SER 48 CO 0.03 0.47 0.13 0.15 -0.53 0.00 0.00 176.83 177.08 1ln0 h PHE 49 N 0.31 0.24 -0.71 2.24 3.04 -0.46 0.95 116.94 122.55 1ln0 h PHE 49 Ca 0.09 0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.13 1ln0 h PHE 49 Cb 0.20 -0.08 -0.07 0.00 2.56 0.00 0.00 35.95 38.57 1ln0 h PHE 49 CO -0.00 0.16 0.37 -0.91 -2.02 0.00 0.00 178.31 175.91 1ln0 h ASN 50 N 0.25 0.51 0.03 0.41 -0.26 -0.54 0.25 115.58 116.24 1ln0 h ASN 50 Ca 0.07 0.05 -0.00 0.00 -0.56 0.00 0.00 56.30 55.86 1ln0 h ASN 50 Cb -0.02 -0.04 0.00 0.00 -1.06 0.00 0.00 38.32 37.20 1ln0 h ASN 50 CO -0.01 0.30 -0.02 0.50 -1.06 0.00 0.00 177.43 177.14 1ln0 h LYS 51 N 0.64 -0.04 0.00 0.81 3.64 -0.92 -3.38 116.57 117.32 1ln0 h LYS 51 Ca 0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1ln0 h LYS 51 Cb 0.31 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1ln0 h LYS 51 CO -0.24 0.63 -0.86 0.72 -2.27 0.00 0.00 179.45 177.43 1ln0 n HIS 52 N -4.76 0.23 -3.34 1.91 8.25 0.30 -5.08 115.22 112.73 1ln0 n HIS 52 Ca -0.08 0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1ln0 n HIS 52 Cb 0.34 -0.39 0.00 0.00 1.12 0.00 0.00 29.99 31.06 1ln0 n HIS 52 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ln0 n GLY 53 N 1.40 -1.61 3.47 -1.41 0.00 0.87 -4.53 105.19 103.38 1ln0 n GLY 53 Ca 0.03 -1.43 -0.44 0.00 0.00 0.00 0.00 46.02 44.18 1ln0 n GLY 53 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ln0 s ASN 54 N -4.00 6.81 -0.19 1.61 3.04 -1.26 -4.61 114.94 116.33 1ln0 s ASN 54 Ca 0.00 -2.40 0.16 0.00 0.04 0.00 0.00 52.86 50.66 1ln0 s ASN 54 Cb 0.00 -2.42 0.49 0.00 -1.54 0.00 0.00 41.25 37.78 1ln0 s ASN 54 CO 0.00 -0.98 1.39 1.33 -3.04 0.00 0.00 177.10 175.81 1ln0 n VAL 55 N 5.30 2.28 -3.99 -5.21 0.24 -1.26 -5.02 118.33 110.66 1ln0 n VAL 55 Ca 0.31 -2.07 -0.34 0.00 -2.04 0.00 0.00 64.34 60.20 1ln0 n VAL 55 Cb 0.47 -0.27 -0.06 0.00 -1.47 0.00 0.00 33.84 32.51 1ln0 n VAL 55 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1ln0 s PHE 56 N -2.91 3.45 -0.08 6.34 0.40 -1.26 -0.55 117.98 123.37 1ln0 s PHE 56 Ca 0.41 0.32 0.02 0.00 -0.60 0.00 0.00 56.93 57.09 1ln0 s PHE 56 Cb 0.34 -1.81 0.01 0.00 0.51 0.00 0.00 43.02 42.07 1ln0 s PHE 56 CO 0.07 0.62 -0.15 -1.21 0.70 0.00 0.00 175.22 175.25 1ln0 s GLU 57 N -1.68 2.06 0.07 0.44 2.02 -0.06 -4.92 118.70 116.63 1ln0 s GLU 57 Ca 0.23 -0.53 -0.10 0.00 0.02 0.00 0.00 54.97 54.59 1ln0 s GLU 57 Cb -0.12 -1.67 -0.06 0.00 0.10 0.00 0.00 34.13 32.38 1ln0 s GLU 57 CO 0.14 0.04 0.40 0.00 0.02 0.00 0.00 175.26 175.86 1ln0 s SER 59 N -1.73 -0.56 0.16 0.00 1.04 -0.81 -5.01 113.70 106.79 1ln0 s SER 59 Ca 0.32 0.62 -0.30 0.00 0.48 0.00 0.00 55.95 57.08 1ln0 s SER 59 Cb -0.14 0.48 -0.07 0.00 0.10 0.00 0.00 66.02 66.39 1ln0 s SER 59 CO 0.18 -0.50 1.04 -0.63 0.98 0.00 0.00 173.24 174.30 1ln0 s ILE 60 N -1.12 4.11 -0.23 -1.02 1.01 -1.26 -1.42 121.20 121.28 1ln0 s ILE 60 Ca -0.07 1.82 0.06 0.00 0.00 0.00 0.00 60.65 62.46 1ln0 s ILE 60 Cb -0.00 -4.16 -0.20 0.00 0.01 0.00 0.00 42.46 38.10 1ln0 s ILE 60 CO 0.07 0.31 -0.07 0.18 0.00 0.00 0.00 174.94 175.43 1ln0 n LEU 61 N 2.44 2.01 -3.62 2.97 4.77 0.35 -4.90 117.00 121.03 1ln0 n LEU 61 Ca 0.02 -0.06 -0.03 0.00 -0.03 0.00 0.00 56.01 55.92 1ln0 n LEU 61 Cb 0.47 -0.48 -0.05 0.00 -2.33 0.00 0.00 43.42 41.03 1ln0 n LEU 61 CO 0.52 0.79 0.37 -0.70 -1.33 0.00 0.00 177.39 177.04 1ln0 s GLU 62 N -2.52 0.57 -0.28 3.23 2.12 -0.80 -5.00 118.70 116.03 1ln0 s GLU 62 Ca -0.26 1.22 -0.21 0.00 0.36 0.00 0.00 54.97 56.08 1ln0 s GLU 62 Cb 0.08 0.50 -0.01 0.00 0.26 0.00 0.00 34.13 34.96 1ln0 s GLU 62 CO 0.69 -0.16 0.68 -1.21 -0.54 0.00 0.00 175.26 174.72 1ln0 s GLU 63 N 2.27 4.03 0.01 4.30 2.02 -1.26 -0.62 118.70 129.46 1ln0 s GLU 63 Ca -0.07 0.53 -0.12 0.00 0.02 0.00 0.00 54.97 55.33 1ln0 s GLU 63 Cb -0.08 -3.68 0.01 0.00 0.10 0.00 0.00 34.13 30.48 1ln0 s GLU 63 CO -0.19 -0.52 0.26 0.96 0.02 0.00 0.00 175.26 175.79 1ln0 s ILE 64 N 2.65 0.08 0.36 -1.63 -4.36 -0.72 -4.93 121.20 112.65 1ln0 s ILE 64 Ca 0.28 -0.64 -0.28 0.00 -0.26 0.00 0.00 60.65 59.75 1ln0 s ILE 64 Cb -0.15 -0.72 -0.12 0.00 1.25 0.00 0.00 42.46 42.73 1ln0 s ILE 64 CO 0.10 -0.35 1.44 -2.65 0.24 0.00 0.00 174.94 173.71 1ln0 n PRO 65 N 1.02 2.50 -2.11 0.37 -0.02 -1.26 -2.76 135.00 132.75 1ln0 n PRO 65 Ca -0.21 0.88 -0.34 0.00 -2.02 0.00 0.00 63.50 61.82 1ln0 n PRO 65 Cb 0.57 -2.57 -0.04 0.00 -0.02 0.00 0.00 33.50 31.44 1ln0 n PRO 65 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1ln0 n TYR 66 N 0.59 3.16 -3.77 6.00 4.19 -1.26 -4.73 117.16 121.34 1ln0 n TYR 66 Ca 0.03 -1.88 -0.37 0.00 3.31 0.00 0.00 57.90 59.00 1ln0 n TYR 66 Cb 0.38 -2.55 -0.13 0.00 0.49 0.00 0.00 39.34 37.53 1ln0 n TYR 66 CO 0.00 0.00 0.00 -2.00 0.91 0.00 0.00 176.86 175.77 1ln0 s GLU 67 N 5.70 3.20 0.10 2.98 -6.30 -1.26 -5.02 118.70 118.10 1ln0 s GLU 67 Ca 0.63 -0.78 -0.20 0.00 -2.50 0.00 0.00 54.97 52.12 1ln0 s GLU 67 Cb 0.02 -3.34 -0.05 0.00 0.00 0.00 0.00 34.13 30.77 1ln0 s GLU 67 CO 0.12 -0.39 1.05 1.63 0.02 0.00 0.00 175.26 177.69 1ln0 n LYS 68 N 4.87 -0.29 -0.16 4.30 5.02 -1.26 0.17 118.16 130.82 1ln0 n LYS 68 Ca -0.15 1.03 -0.09 0.00 -2.02 0.00 0.00 58.31 57.08 1ln0 n LYS 68 Cb 0.49 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 1ln0 n LYS 68 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1ln0 h ASP 69 N 0.00 0.65 -0.61 4.39 3.45 -1.98 -1.94 116.42 120.38 1ln0 h ASP 69 Ca 0.10 -0.20 -0.09 0.00 0.43 0.00 0.00 57.03 57.27 1ln0 h ASP 69 Cb 0.27 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 38.84 1ln0 h ASP 69 CO -0.61 0.68 0.01 0.25 -1.57 0.00 0.00 179.24 178.00 1ln0 h LEU 70 N 0.59 1.05 0.18 1.55 5.85 -1.57 -1.99 115.31 120.97 1ln0 h LEU 70 Ca 0.15 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 1ln0 h LEU 70 Cb 0.25 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.00 1ln0 h LEU 70 CO -0.01 1.09 -0.09 0.40 -0.34 0.00 0.00 178.44 179.50 1ln0 h ILE 71 N 0.97 0.88 -0.54 4.05 1.08 -0.16 -0.58 117.51 123.21 1ln0 h ILE 71 Ca 0.18 -0.28 0.05 0.00 -0.39 0.00 0.00 64.86 64.42 1ln0 h ILE 71 Cb 0.55 1.06 -0.05 0.00 -3.07 0.00 0.00 36.82 35.30 1ln0 h ILE 71 CO 0.03 0.07 0.26 0.40 -0.69 0.00 0.00 178.15 178.22 1ln0 h ILE 72 N -0.37 0.93 0.49 -0.67 2.04 -1.33 0.47 117.51 119.06 1ln0 h ILE 72 Ca -0.02 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 1ln0 h ILE 72 Cb 0.29 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1ln0 h ILE 72 CO 0.04 0.09 -0.28 -0.08 0.00 0.00 0.00 178.15 177.92 1ln0 h GLU 73 N 0.50 -0.70 -0.03 2.37 4.81 -1.22 -1.21 114.58 119.11 1ln0 h GLU 73 Ca 0.24 0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.42 1ln0 h GLU 73 Cb 0.18 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1ln0 h GLU 73 CO -0.18 -0.46 -0.47 0.00 -0.73 0.00 0.00 179.01 177.17 1ln0 h ARG 74 N -0.72 0.08 -0.16 1.92 2.47 -0.88 -0.27 114.38 116.82 1ln0 h ARG 74 Ca -0.06 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.60 1ln0 h ARG 74 Cb 0.58 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.90 1ln0 h ARG 74 CO 0.07 0.53 0.01 1.49 0.56 0.00 0.00 179.97 182.63 1ln0 h GLU 75 N 0.07 0.28 -0.01 0.04 4.81 0.03 -0.68 114.58 119.12 1ln0 h GLU 75 Ca 0.00 -0.09 -0.08 0.00 -0.13 0.00 0.00 59.36 59.07 1ln0 h GLU 75 Cb 0.85 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 1ln0 h GLU 75 CO 0.06 0.49 -0.35 -0.91 -0.73 0.00 0.00 179.01 177.57 1ln0 h ASN 76 N 0.03 0.02 0.51 1.04 2.35 -1.10 -1.89 115.58 116.56 1ln0 h ASN 76 Ca 0.05 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 1ln0 h ASN 76 Cb 0.36 -0.01 0.01 0.00 0.05 0.00 0.00 38.32 38.73 1ln0 h ASN 76 CO 0.01 0.38 -0.25 0.15 -1.65 0.00 0.00 177.43 176.07 1ln0 h PHE 77 N 0.02 -0.64 -0.36 1.19 3.57 -0.62 -1.84 116.94 118.26 1ln0 h PHE 77 Ca -0.00 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 1ln0 h PHE 77 Cb 0.64 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 1ln0 h PHE 77 CO 0.00 -0.38 0.07 -1.49 -2.23 0.00 0.00 178.31 174.29 1ln0 h TRP 78 N -0.73 0.54 -0.23 0.41 4.06 -0.97 -0.10 115.95 118.92 1ln0 h TRP 78 Ca -0.07 -0.04 -0.00 0.00 2.06 0.00 0.00 58.89 60.84 1ln0 h TRP 78 Cb 0.55 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 28.53 1ln0 h TRP 78 CO -0.03 0.48 0.14 0.82 -3.56 0.00 0.00 178.44 176.29 1ln0 h ILE 79 N 0.52 1.10 -0.18 1.49 2.04 -1.17 0.03 117.51 121.35 1ln0 h ILE 79 Ca 0.12 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 1ln0 h ILE 79 Cb 0.22 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1ln0 h ILE 79 CO -0.00 0.09 0.01 0.50 0.00 0.00 0.00 178.15 178.75 1ln0 h LYS 80 N 0.28 0.30 -0.29 2.37 3.64 -0.91 0.20 116.57 122.16 1ln0 h LYS 80 Ca 0.08 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1ln0 h LYS 80 Cb 0.03 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1ln0 h LYS 80 CO -0.01 0.50 0.05 0.93 -2.27 0.00 0.00 179.45 178.65 1ln0 h GLU 81 N 0.07 0.42 -0.03 1.90 4.39 -0.91 -1.98 114.58 118.44 1ln0 h GLU 81 Ca 0.05 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1ln0 h GLU 81 Cb 0.36 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1ln0 h GLU 81 CO 0.01 0.40 -0.03 1.28 -1.16 0.00 0.00 179.01 179.51 1ln0 n LEU 82 N -4.36 2.73 -4.00 1.33 4.77 -0.01 -4.95 117.00 112.51 1ln0 n LEU 82 Ca 0.01 -0.91 -0.32 0.00 -0.03 0.00 0.00 56.01 54.76 1ln0 n LEU 82 Cb 0.18 -0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.28 1ln0 n LEU 82 CO 0.37 0.46 0.07 -3.20 -1.33 0.00 0.00 177.39 173.76 1ln0 n ASN 83 N 1.09 -4.35 0.00 -1.43 4.05 0.55 -4.84 115.26 110.34 1ln0 n ASN 83 Ca 0.14 -0.84 0.13 0.00 0.45 0.00 0.00 54.58 54.46 1ln0 n ASN 83 Cb 0.56 -3.57 0.76 0.00 1.23 0.00 0.00 39.78 38.75 1ln0 n ASN 83 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1ln0 n SER 84 N -2.79 0.00 -0.06 1.20 3.41 -0.39 -1.16 113.62 113.84 1ln0 n SER 84 Ca 0.05 -0.65 -0.04 0.00 -0.26 0.00 0.00 58.87 57.97 1ln0 n SER 84 Cb 0.52 -0.07 -0.01 0.00 -0.26 0.00 0.00 64.21 64.38 1ln0 n SER 84 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1ln0 n LYS 85 N -1.07 0.36 -0.14 4.33 4.81 -1.26 -1.16 118.16 124.03 1ln0 n LYS 85 Ca 0.18 0.41 -0.12 0.00 -0.87 0.00 0.00 58.31 57.91 1ln0 n LYS 85 Cb 0.12 -1.43 -0.02 0.00 0.02 0.00 0.00 35.03 33.72 1ln0 n LYS 85 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1ln0 h ILE 86 N -0.77 1.27 -0.08 3.15 2.04 -1.86 -3.30 117.51 117.97 1ln0 h ILE 86 Ca 0.00 -1.43 -0.07 0.00 1.00 0.00 0.00 64.86 64.36 1ln0 h ILE 86 Cb 0.46 1.28 -0.07 0.00 -0.74 0.00 0.00 36.82 37.76 1ln0 h ILE 86 CO 0.00 0.48 -0.56 -3.20 0.00 0.00 0.00 178.15 174.87 1ln0 n ASN 87 N -4.14 2.02 -0.32 1.72 5.15 -0.30 -5.04 115.26 114.34 1ln0 n ASN 87 Ca -0.01 -3.79 0.00 0.00 -0.60 0.00 0.00 54.58 50.17 1ln0 n ASN 87 Cb 0.48 -0.50 0.00 0.00 -0.53 0.00 0.00 39.78 39.23 1ln0 n ASN 87 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ln0 n GLY 88 N -1.00 4.77 0.95 8.20 0.00 -1.08 -4.58 105.19 112.45 1ln0 n GLY 88 Ca 0.21 -1.48 0.12 0.00 0.00 0.00 0.00 46.02 44.87 1ln0 n GLY 88 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ln0 n TYR 89 N 0.00 0.00 -2.45 1.61 4.02 -0.02 -4.68 117.16 115.64 1ln0 n TYR 89 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.52 1ln0 n TYR 89 Cb 0.00 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.29 1ln0 n TYR 89 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 1ln0 s ASN 90 N -2.00 6.64 0.00 7.72 0.01 -0.31 -4.37 114.94 122.63 1ln0 s ASN 90 Ca 0.28 2.14 0.07 0.00 -0.71 0.00 0.00 52.86 54.64 1ln0 s ASN 90 Cb 0.20 -2.59 0.16 0.00 0.41 0.00 0.00 41.25 39.43 1ln0 s ASN 90 CO 0.30 -0.58 1.05 2.30 -1.51 0.00 0.00 177.10 178.67 1ln0 n ILE 91 N -0.06 0.74 -3.69 0.60 -5.35 -1.26 -4.48 119.36 105.86 1ln0 n ILE 91 Ca 0.05 -0.87 0.04 0.00 -0.27 0.00 0.00 62.75 61.70 1ln0 n ILE 91 Cb 0.49 0.67 0.00 0.00 -1.74 0.00 0.00 39.64 39.05 1ln0 n ILE 91 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ln0 s ALA 92 N -0.90 -2.55 0.67 -1.28 0.00 -1.26 -5.16 121.76 111.28 1ln0 s ALA 92 Ca 0.13 0.72 -0.12 0.00 0.00 0.00 0.00 51.96 52.69 1ln0 s ALA 92 Cb 0.07 0.44 -0.00 0.00 0.00 0.00 0.00 23.12 23.63 1ln0 s ALA 92 CO 0.10 -1.09 1.06 -0.51 0.00 0.00 0.00 175.76 175.32 1ln0 s ASP 93 N -3.25 5.45 0.00 0.00 -0.00 -1.26 -5.02 116.67 112.59 1ln0 s ASP 93 Ca 0.19 1.69 0.00 0.00 -0.00 0.00 0.00 52.55 54.43 1ln0 s ASP 93 Cb 0.05 -2.51 0.00 0.00 -0.00 0.00 0.00 42.92 40.47 1ln0 s ASP 93 CO -0.05 -1.39 0.33 0.00 -0.00 0.00 0.00 175.17 174.06