#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lb5 s TYR 5 N 0.00 2.88 -0.31 0.00 5.04 -1.26 -4.99 117.35 118.71 3lb5 s TYR 5 Ca 0.00 0.56 -0.04 0.00 -2.44 0.00 0.00 57.07 55.15 3lb5 s TYR 5 Cb 0.00 -4.07 0.04 0.00 0.35 0.00 0.00 41.96 38.28 3lb5 s TYR 5 CO 0.00 -3.88 0.04 0.34 -1.34 0.00 0.00 175.55 170.71 3lb5 s ASP 6 N 0.91 5.03 0.00 4.32 -1.08 -1.26 -4.97 116.67 119.62 3lb5 s ASP 6 Ca 0.70 -1.16 0.00 0.00 -0.52 0.00 0.00 52.55 51.58 3lb5 s ASP 6 Cb -0.48 -1.78 0.02 0.00 -1.46 0.00 0.00 42.92 39.22 3lb5 s ASP 6 CO 0.38 -0.27 0.94 0.59 0.52 0.00 0.00 175.17 177.32 3lb5 n ASN 7 N 4.71 0.00 -0.54 -0.34 3.02 -1.26 -2.11 115.26 118.74 3lb5 n ASN 7 Ca -0.13 0.42 0.13 0.00 -0.03 0.00 0.00 54.58 54.96 3lb5 n ASN 7 Cb 0.44 -0.42 0.29 0.00 -0.61 0.00 0.00 39.78 39.48 3lb5 n ASN 7 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3lb5 n ASN 8 N -1.42 1.84 -4.74 6.41 4.13 -1.26 -4.54 115.26 115.68 3lb5 n ASN 8 Ca 0.00 -1.47 -0.35 0.00 1.68 0.00 0.00 54.58 54.44 3lb5 n ASN 8 Cb 0.00 0.12 0.07 0.00 -1.54 0.00 0.00 39.78 38.43 3lb5 n ASN 8 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3lb5 s ASN 9 N -2.21 4.61 0.40 6.41 2.20 -0.90 -4.76 114.94 120.69 3lb5 s ASN 9 Ca 0.29 2.40 0.15 0.00 -0.94 0.00 0.00 52.86 54.76 3lb5 s ASN 9 Cb 0.20 -2.60 1.01 0.00 -2.00 0.00 0.00 41.25 37.86 3lb5 s ASN 9 CO 0.42 -1.99 1.86 -0.29 -2.94 0.00 0.00 177.10 174.16 3lb5 h ILE 10 N 0.22 0.72 -0.00 0.54 6.09 -1.92 -1.62 117.51 121.54 3lb5 h ILE 10 Ca -0.49 -0.16 -0.19 0.00 -1.37 0.00 0.00 64.86 62.64 3lb5 h ILE 10 Cb 1.30 0.20 -0.01 0.00 0.47 0.00 0.00 36.82 38.78 3lb5 h ILE 10 CO 0.52 0.09 -0.86 -0.26 -3.07 0.00 0.00 178.15 174.57 3lb5 h PHE 11 N 0.48 0.29 -0.73 2.19 0.04 -1.97 -0.55 116.94 116.69 3lb5 h PHE 11 Ca 0.46 -0.16 -0.00 0.00 2.80 0.00 0.00 57.97 61.07 3lb5 h PHE 11 Cb 1.03 -0.03 -0.04 0.00 2.20 0.00 0.00 35.95 39.11 3lb5 h PHE 11 CO -0.00 0.96 0.44 0.00 -0.60 0.00 0.00 178.31 179.10 3lb5 h ALA 12 N 0.99 0.93 -0.36 2.45 0.00 -1.63 -0.74 119.26 120.90 3lb5 h ALA 12 Ca -0.04 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3lb5 h ALA 12 Cb 1.48 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3lb5 h ALA 12 CO 0.13 0.40 0.21 0.87 0.00 0.00 0.00 179.25 180.86 3lb5 h LYS 13 N 1.00 0.50 -0.18 0.00 1.57 -1.22 -1.83 116.57 116.40 3lb5 h LYS 13 Ca 0.26 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 59.04 3lb5 h LYS 13 Cb -0.03 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.12 3lb5 h LYS 13 CO -0.05 0.40 -0.20 1.25 -0.57 0.00 0.00 179.45 180.28 3lb5 h LEU 14 N 0.47 -0.65 -0.98 2.94 6.46 -0.80 -0.46 115.31 122.29 3lb5 h LEU 14 Ca 0.13 0.12 0.20 0.00 -0.12 0.00 0.00 57.88 58.20 3lb5 h LEU 14 Cb 0.04 0.30 -0.11 0.00 -0.73 0.00 0.00 40.66 40.16 3lb5 h LEU 14 CO -0.02 -0.25 0.58 0.40 -0.62 0.00 0.00 178.44 178.52 3lb5 h ILE 15 N -0.23 0.67 -0.10 4.05 2.04 -0.96 -0.30 117.51 122.66 3lb5 h ILE 15 Ca 0.12 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.74 3lb5 h ILE 15 Cb 0.41 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 3lb5 h ILE 15 CO -0.32 0.13 0.00 0.54 0.00 0.00 0.00 178.15 178.50 3lb5 n ARG 16 N -4.81 1.28 -2.88 2.37 1.74 -0.61 -4.89 116.66 108.86 3lb5 n ARG 16 Ca 0.23 -0.39 -0.20 0.00 -0.77 0.00 0.00 57.85 56.72 3lb5 n ARG 16 Cb 0.59 -1.14 0.01 0.00 -1.02 0.00 0.00 32.46 30.90 3lb5 n ARG 16 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3lb5 n ASN 17 N -0.16 -5.09 0.13 0.55 3.02 -0.12 -4.88 115.26 108.71 3lb5 n ASN 17 Ca 0.04 -0.17 0.05 0.00 -0.03 0.00 0.00 54.58 54.47 3lb5 n ASN 17 Cb 0.12 -4.19 0.03 0.00 -0.61 0.00 0.00 39.78 35.14 3lb5 n ASN 17 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3lb5 h GLU 18 N -0.77 0.00 -4.70 3.52 5.08 -1.32 -3.46 114.58 112.94 3lb5 h GLU 18 Ca -0.45 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 57.64 3lb5 h GLU 18 Cb 1.32 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.39 3lb5 h GLU 18 CO 0.52 0.28 -0.72 0.96 -1.00 0.00 0.00 179.01 179.06 3lb5 s ILE 19 N -3.06 0.70 0.62 3.13 -4.36 -1.26 -5.00 121.20 111.97 3lb5 s ILE 19 Ca 0.03 -1.59 -0.13 0.00 -0.26 0.00 0.00 60.65 58.70 3lb5 s ILE 19 Cb 0.07 -1.26 -0.03 0.00 1.25 0.00 0.00 42.46 42.50 3lb5 s ILE 19 CO 0.75 -0.64 1.04 -2.16 0.24 0.00 0.00 174.94 174.16 3lb5 s PRO 20 N -2.86 3.39 0.09 0.37 0.04 -1.26 -4.73 135.00 130.04 3lb5 s PRO 20 Ca 0.03 0.96 -0.05 0.00 0.04 0.00 0.00 61.00 61.98 3lb5 s PRO 20 Cb -0.02 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 3lb5 s PRO 20 CO -0.02 -0.74 0.10 -1.54 0.04 0.00 0.00 177.00 174.84 3lb5 s SER 21 N -3.52 0.27 -0.51 6.66 1.04 -1.26 -5.03 113.70 111.35 3lb5 s SER 21 Ca 0.59 -0.89 -0.06 0.00 0.48 0.00 0.00 55.95 56.07 3lb5 s SER 21 Cb -0.13 0.29 0.13 0.00 0.10 0.00 0.00 66.02 66.42 3lb5 s SER 21 CO 0.46 -0.70 0.35 -0.69 0.98 0.00 0.00 173.24 173.64 3lb5 s VAL 22 N -3.92 3.89 0.06 5.02 1.01 -1.26 -5.05 120.40 120.14 3lb5 s VAL 22 Ca 0.10 -2.20 -0.13 0.00 0.00 0.00 0.00 61.98 59.75 3lb5 s VAL 22 Cb 0.06 -3.57 -0.06 0.00 0.00 0.00 0.00 36.38 32.81 3lb5 s VAL 22 CO -0.07 -0.79 0.44 -0.13 0.00 0.00 0.00 175.10 174.54 3lb5 s ARG 23 N 0.87 3.88 -0.05 2.72 0.52 -1.26 -1.32 118.95 124.31 3lb5 s ARG 23 Ca 0.10 0.35 0.09 0.00 -0.52 0.00 0.00 55.73 55.76 3lb5 s ARG 23 Cb -0.23 -3.09 -0.14 0.00 0.52 0.00 0.00 34.95 32.02 3lb5 s ARG 23 CO -0.03 0.60 0.14 1.33 0.02 0.00 0.00 175.30 177.36 3lb5 n VAL 24 N 1.30 0.27 -3.67 3.52 0.24 0.13 -4.97 118.33 115.15 3lb5 n VAL 24 Ca -0.10 -0.30 -0.15 0.00 -2.04 0.00 0.00 64.34 61.75 3lb5 n VAL 24 Cb 0.52 -0.17 -0.08 0.00 -1.47 0.00 0.00 33.84 32.64 3lb5 n VAL 24 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3lb5 s TYR 25 N -2.50 -0.45 -0.16 6.34 5.04 -1.15 -4.68 117.35 119.79 3lb5 s TYR 25 Ca -0.04 0.91 -0.15 0.00 -2.44 0.00 0.00 57.07 55.35 3lb5 s TYR 25 Cb 0.05 0.22 0.04 0.00 0.35 0.00 0.00 41.96 42.62 3lb5 s TYR 25 CO 0.40 -0.40 0.42 -2.00 -1.34 0.00 0.00 175.55 172.63 3lb5 s GLU 26 N -0.69 0.49 0.00 4.97 2.12 -1.26 -0.48 118.70 123.85 3lb5 s GLU 26 Ca -0.08 0.58 0.00 0.00 0.36 0.00 0.00 54.97 55.83 3lb5 s GLU 26 Cb -0.03 0.24 0.00 0.00 0.26 0.00 0.00 34.13 34.60 3lb5 s GLU 26 CO 0.04 -0.06 0.00 -0.40 -0.54 0.00 0.00 175.26 174.31 3lb5 n ASP 27 N 2.84 0.00 -0.05 -1.70 5.68 -0.80 -5.00 116.55 117.51 3lb5 n ASP 27 Ca -0.13 -0.75 0.20 0.00 -0.50 0.00 0.00 54.79 53.61 3lb5 n ASP 27 Cb 0.57 0.00 0.65 0.00 -1.14 0.00 0.00 41.12 41.20 3lb5 n ASP 27 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 3lb5 h ASP 28 N 0.00 0.08 0.00 -1.12 3.58 -2.04 -3.22 116.42 113.70 3lb5 h ASP 28 Ca 0.00 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.29 3lb5 h ASP 28 Cb 0.00 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.01 3lb5 h ASP 28 CO 0.00 0.04 -1.89 0.47 -2.88 0.00 0.00 179.24 174.98 3lb5 n ASP 29 N -4.39 1.43 -4.03 2.28 8.00 -1.26 -4.86 116.55 113.71 3lb5 n ASP 29 Ca 0.11 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.52 3lb5 n ASP 29 Cb 0.62 1.17 -0.09 0.00 -0.02 0.00 0.00 41.12 42.81 3lb5 n ASP 29 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3lb5 s VAL 30 N -2.62 0.11 -0.03 2.53 -7.23 -1.22 -0.61 120.40 111.34 3lb5 s VAL 30 Ca -0.07 -1.61 0.02 0.00 -1.81 0.00 0.00 61.98 58.51 3lb5 s VAL 30 Cb 0.06 -1.80 0.01 0.00 0.56 0.00 0.00 36.38 35.21 3lb5 s VAL 30 CO 0.61 -0.50 -0.07 -0.63 -0.31 0.00 0.00 175.10 174.20 3lb5 s ILE 31 N -3.98 0.66 -0.11 -0.62 1.01 -0.80 -1.91 121.20 115.44 3lb5 s ILE 31 Ca 0.17 -0.28 -0.00 0.00 0.00 0.00 0.00 60.65 60.53 3lb5 s ILE 31 Cb 0.06 -0.60 -0.02 0.00 0.01 0.00 0.00 42.46 41.91 3lb5 s ILE 31 CO -0.02 0.22 -0.10 0.00 0.00 0.00 0.00 174.94 175.03 3lb5 s ALA 32 N 0.30 2.77 0.16 9.38 0.00 0.37 -1.36 121.76 133.38 3lb5 s ALA 32 Ca -0.04 -0.89 -0.15 0.00 0.00 0.00 0.00 51.96 50.88 3lb5 s ALA 32 Cb -0.09 -1.26 0.02 0.00 0.00 0.00 0.00 23.12 21.80 3lb5 s ALA 32 CO 0.00 0.34 0.43 -0.59 0.00 0.00 0.00 175.76 175.94 3lb5 s PHE 33 N 0.02 -0.03 0.17 0.00 -0.12 -0.39 -0.69 117.98 116.94 3lb5 s PHE 33 Ca -0.03 -0.31 -0.30 0.00 -0.05 0.00 0.00 56.93 56.24 3lb5 s PHE 33 Cb -0.14 0.25 -0.08 0.00 -0.63 0.00 0.00 43.02 42.42 3lb5 s PHE 33 CO 0.04 -0.80 1.15 -1.64 -0.05 0.00 0.00 175.22 173.92 3lb5 s MET 34 N -3.87 4.53 0.13 1.99 -1.94 -0.44 -0.24 119.30 119.47 3lb5 s MET 34 Ca 0.09 1.80 -0.31 0.00 -1.71 0.00 0.00 55.69 55.55 3lb5 s MET 34 Cb 0.01 -3.26 -0.09 0.00 2.01 0.00 0.00 34.83 33.49 3lb5 s MET 34 CO -0.05 -0.03 1.54 0.34 -0.01 0.00 0.00 175.02 176.80 3lb5 s ASP 35 N 0.09 6.65 0.00 3.03 -1.08 -0.59 -4.77 116.67 120.00 3lb5 s ASP 35 Ca 0.52 2.51 0.27 0.00 -0.52 0.00 0.00 52.55 55.33 3lb5 s ASP 35 Cb -0.31 -2.59 1.25 0.00 -1.46 0.00 0.00 42.92 39.81 3lb5 s ASP 35 CO 0.35 -0.79 1.89 2.30 0.52 0.00 0.00 175.17 179.44 3lb5 n ILE 36 N 4.11 0.15 -2.94 4.11 -5.35 -1.26 -3.63 119.36 114.55 3lb5 n ILE 36 Ca 0.14 0.04 -0.24 0.00 -0.27 0.00 0.00 62.75 62.41 3lb5 n ILE 36 Cb 0.40 -0.59 -0.03 0.00 -1.74 0.00 0.00 39.64 37.68 3lb5 n ILE 36 CO 0.00 0.00 0.00 0.23 -1.76 0.00 0.00 176.55 175.02 3lb5 n MET 37 N -1.39 2.61 -2.07 6.28 2.81 -1.26 -1.70 117.12 122.39 3lb5 n MET 37 Ca 0.10 -4.39 -0.39 0.00 -1.81 0.00 0.00 57.70 51.20 3lb5 n MET 37 Cb 0.26 -2.07 -0.01 0.00 -0.71 0.00 0.00 33.22 30.70 3lb5 n MET 37 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3lb5 s PRO 38 N -3.21 3.96 0.21 0.03 0.04 -1.24 -4.92 135.00 129.87 3lb5 s PRO 38 Ca 0.46 2.12 0.24 0.00 0.04 0.00 0.00 61.00 63.86 3lb5 s PRO 38 Cb 0.32 -2.74 0.41 0.00 0.04 0.00 0.00 34.50 32.53 3lb5 s PRO 38 CO -0.12 -0.49 1.44 1.96 0.04 0.00 0.00 177.00 179.83 3lb5 h GLN 39 N 2.65 0.00 -2.55 4.56 4.20 -1.93 -3.47 115.11 118.57 3lb5 h GLN 39 Ca -0.50 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.17 3lb5 h GLN 39 Cb 1.25 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.87 3lb5 h GLN 39 CO 0.62 0.00 0.19 0.00 -0.67 0.00 0.00 178.83 178.97 3lb5 s ALA 40 N -3.19 -1.65 0.06 3.87 0.00 -1.26 -4.97 121.76 114.62 3lb5 s ALA 40 Ca 0.06 0.85 -0.34 0.00 0.00 0.00 0.00 51.96 52.54 3lb5 s ALA 40 Cb 0.11 0.46 -0.13 0.00 0.00 0.00 0.00 23.12 23.57 3lb5 s ALA 40 CO 0.69 -0.58 1.72 -2.30 0.00 0.00 0.00 175.76 175.30 3lb5 n PRO 41 N 0.24 2.22 -0.12 0.00 -0.02 -1.26 -1.70 135.00 134.35 3lb5 n PRO 41 Ca -0.18 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3lb5 n PRO 41 Cb 0.61 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 3lb5 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3lb5 n GLY 42 N 3.89 0.64 3.60 -1.23 0.00 -1.26 -4.70 105.19 106.12 3lb5 n GLY 42 Ca 0.19 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.72 3lb5 n GLY 42 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3lb5 n HIS 43 N -2.03 2.02 -4.73 1.61 -0.00 -0.69 -4.75 115.22 106.66 3lb5 n HIS 43 Ca 0.00 0.13 -0.30 0.00 -0.00 0.00 0.00 57.72 57.54 3lb5 n HIS 43 Cb 0.00 -2.61 -0.14 0.00 -0.00 0.00 0.00 29.99 27.24 3lb5 n HIS 43 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 3lb5 s THR 44 N 5.66 2.44 0.02 3.57 2.01 -0.26 -1.55 115.64 127.53 3lb5 s THR 44 Ca 1.00 -1.36 0.03 0.00 0.31 0.00 0.00 61.69 61.68 3lb5 s THR 44 Cb -0.74 -2.00 -0.04 0.00 0.01 0.00 0.00 72.50 69.73 3lb5 s THR 44 CO 0.50 0.31 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.94 3lb5 s LEU 45 N -1.44 3.29 -0.11 4.42 1.43 0.67 -0.66 118.68 126.27 3lb5 s LEU 45 Ca 0.13 -0.14 0.03 0.00 -1.03 0.00 0.00 54.13 53.13 3lb5 s LEU 45 Cb -0.10 -1.92 -0.00 0.00 0.03 0.00 0.00 46.19 44.19 3lb5 s LEU 45 CO 0.04 0.26 -0.21 -0.69 0.23 0.00 0.00 176.35 175.98 3lb5 s VAL 46 N -1.08 2.34 0.07 -1.59 1.01 -0.36 -1.26 120.40 119.53 3lb5 s VAL 46 Ca 0.19 -0.92 0.06 0.00 0.00 0.00 0.00 61.98 61.32 3lb5 s VAL 46 Cb -0.11 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 3lb5 s VAL 46 CO 0.10 0.55 -0.17 0.27 0.00 0.00 0.00 175.10 175.85 3lb5 s ILE 47 N 0.37 1.37 0.46 2.22 -4.36 -0.46 -1.56 121.20 119.24 3lb5 s ILE 47 Ca -0.16 -1.27 -0.21 0.00 -0.26 0.00 0.00 60.65 58.75 3lb5 s ILE 47 Cb -0.17 -1.25 -0.10 0.00 1.25 0.00 0.00 42.46 42.19 3lb5 s ILE 47 CO 0.08 -0.05 1.00 -2.16 0.24 0.00 0.00 174.94 174.05 3lb5 s PRO 48 N -1.53 4.00 0.39 0.37 0.04 -1.26 -1.90 135.00 135.11 3lb5 s PRO 48 Ca 0.03 1.25 0.20 0.00 0.04 0.00 0.00 61.00 62.52 3lb5 s PRO 48 Cb -0.09 -2.14 0.74 0.00 0.04 0.00 0.00 34.50 33.05 3lb5 s PRO 48 CO 0.02 -0.24 1.76 0.87 0.04 0.00 0.00 177.00 179.45 3lb5 h LYS 49 N 1.73 0.00 -5.93 4.56 1.57 -1.19 -3.42 116.57 113.89 3lb5 h LYS 49 Ca -0.49 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 57.71 3lb5 h LYS 49 Cb 1.20 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.44 3lb5 h LYS 49 CO 0.60 0.34 0.35 0.21 -0.57 0.00 0.00 179.45 180.37 3lb5 s LYS 50 N -3.65 4.30 0.08 3.15 2.20 -1.26 -5.01 119.74 119.55 3lb5 s LYS 50 Ca 0.00 0.98 -0.29 0.00 -0.36 0.00 0.00 55.97 56.30 3lb5 s LYS 50 Cb 0.11 -3.57 -0.05 0.00 -1.51 0.00 0.00 37.83 32.81 3lb5 s LYS 50 CO 0.68 -0.29 0.93 0.20 -0.36 0.00 0.00 175.35 176.50 3lb5 s GLY 51 N 1.14 2.95 0.10 5.54 0.00 -1.26 -4.96 107.32 110.83 3lb5 s GLY 51 Ca 0.37 0.51 -0.08 0.00 0.00 0.00 0.00 44.72 45.53 3lb5 s GLY 51 CO 0.13 1.43 0.19 -1.35 0.00 0.00 0.00 173.10 173.49 3lb5 s SER 52 N 0.16 0.14 0.20 1.64 1.04 -1.26 -4.99 113.70 110.64 3lb5 s SER 52 Ca 0.46 -0.76 -0.09 0.00 0.48 0.00 0.00 55.95 56.04 3lb5 s SER 52 Cb -0.22 0.35 0.14 0.00 0.10 0.00 0.00 66.02 66.39 3lb5 s SER 52 CO 0.28 -0.76 1.80 0.03 0.98 0.00 0.00 173.24 175.58 3lb5 h ARG 53 N 2.74 1.07 0.00 4.02 3.08 -1.91 -1.19 114.38 122.19 3lb5 h ARG 53 Ca -0.34 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.57 3lb5 h ARG 53 Cb 1.20 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.05 3lb5 h ARG 53 CO 0.55 0.83 0.00 0.27 -1.07 0.00 0.00 179.97 180.55 3lb5 n ASN 54 N -4.41 0.00 0.09 7.04 0.23 -1.26 -2.60 115.26 114.35 3lb5 n ASN 54 Ca 0.07 0.00 -0.05 0.00 -0.53 0.00 0.00 54.58 54.07 3lb5 n ASN 54 Cb 0.12 0.00 0.12 0.00 -2.08 0.00 0.00 39.78 37.94 3lb5 n ASN 54 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 3lb5 h LEU 55 N 0.00 0.23 -0.97 -4.53 5.85 -1.93 -3.19 115.31 110.77 3lb5 h LEU 55 Ca 0.00 -0.14 -0.11 0.00 0.84 0.00 0.00 57.88 58.47 3lb5 h LEU 55 Cb 0.00 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3lb5 h LEU 55 CO 0.00 0.80 -0.50 -0.07 -0.34 0.00 0.00 178.44 178.33 3lb5 h LEU 56 N 0.14 0.05 -0.63 2.25 3.38 -1.98 -3.14 115.31 115.38 3lb5 h LEU 56 Ca -0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3lb5 h LEU 56 Cb 1.14 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3lb5 h LEU 56 CO 0.10 0.54 -0.42 -0.90 0.09 0.00 0.00 178.44 177.85 3lb5 n ASP 57 N -3.95 1.33 -4.77 -0.43 5.75 -1.25 -5.03 116.55 108.20 3lb5 n ASP 57 Ca -0.02 -1.16 -0.41 0.00 -0.01 0.00 0.00 54.79 53.20 3lb5 n ASP 57 Cb 0.52 0.61 0.00 0.00 -1.03 0.00 0.00 41.12 41.22 3lb5 n ASP 57 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3lb5 s ALA 58 N -1.97 3.45 0.36 2.12 0.00 -1.19 -4.91 121.76 119.62 3lb5 s ALA 58 Ca 0.11 1.50 -0.28 0.00 0.00 0.00 0.00 51.96 53.28 3lb5 s ALA 58 Cb 0.12 -3.59 -0.11 0.00 0.00 0.00 0.00 23.12 19.55 3lb5 s ALA 58 CO 0.44 -1.05 1.45 -0.51 0.00 0.00 0.00 175.76 176.09 3lb5 s ASP 59 N -0.32 6.46 0.22 0.00 1.01 -1.26 -4.91 116.67 117.87 3lb5 s ASP 59 Ca 0.55 2.95 -0.08 0.00 0.71 0.00 0.00 52.55 56.68 3lb5 s ASP 59 Cb -0.45 -2.66 0.19 0.00 1.01 0.00 0.00 42.92 41.01 3lb5 s ASP 59 CO 0.59 -0.79 1.85 0.74 0.21 0.00 0.00 175.17 177.78 3lb5 h THR 60 N 3.04 1.24 -0.05 -1.27 2.02 -1.97 -2.02 112.91 113.91 3lb5 h THR 60 Ca -0.50 -0.57 0.01 0.00 0.77 0.00 0.00 66.41 66.13 3lb5 h THR 60 Cb 1.23 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.73 3lb5 h THR 60 CO 0.66 0.26 0.05 -0.33 0.37 0.00 0.00 175.52 176.53 3lb5 h GLU 61 N 1.17 0.00 -0.08 6.66 3.07 -2.04 0.07 114.58 123.43 3lb5 h GLU 61 Ca 0.30 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.12 3lb5 h GLU 61 Cb -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 3lb5 h GLU 61 CO -0.05 0.00 -0.15 1.15 -1.40 0.00 0.00 179.01 178.56 3lb5 h THR 62 N 0.00 1.15 0.00 1.13 2.02 -1.74 -3.17 112.91 112.31 3lb5 h THR 62 Ca 0.02 -0.69 -0.08 0.00 0.77 0.00 0.00 66.41 66.43 3lb5 h THR 62 Cb 0.11 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 3lb5 h THR 62 CO -0.00 0.21 -0.38 -0.07 0.37 0.00 0.00 175.52 175.65 3lb5 h LEU 63 N 0.12 0.00 0.35 2.58 3.38 -1.02 -3.14 115.31 117.59 3lb5 h LEU 63 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3lb5 h LEU 63 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3lb5 h LEU 63 CO 0.02 0.38 -0.17 -0.26 0.09 0.00 0.00 178.44 178.51 3lb5 h PHE 64 N 0.00 -0.43 -0.07 1.13 0.04 -1.65 0.54 116.94 116.50 3lb5 h PHE 64 Ca -0.00 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.73 3lb5 h PHE 64 Cb 0.76 0.14 -0.01 0.00 2.20 0.00 0.00 35.95 39.05 3lb5 h PHE 64 CO 0.00 -0.12 -0.06 -1.00 -0.60 0.00 0.00 178.31 176.53 3lb5 h PRO 65 N -0.75 0.10 -0.02 1.51 0.13 -1.75 -1.26 132.00 129.95 3lb5 h PRO 65 Ca -0.05 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.07 3lb5 h PRO 65 Cb 0.51 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.62 3lb5 h PRO 65 CO 0.08 0.16 0.01 0.28 -0.23 0.00 0.00 178.00 178.30 3lb5 h VAL 66 N 0.09 1.17 -0.09 1.56 2.07 -1.44 -2.18 116.25 117.44 3lb5 h VAL 66 Ca 0.02 -0.51 -0.12 0.00 0.82 0.00 0.00 66.70 66.92 3lb5 h VAL 66 Cb 0.17 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3lb5 h VAL 66 CO 0.01 0.14 -0.46 -0.29 0.02 0.00 0.00 177.57 176.98 3lb5 h ILE 67 N -0.17 1.33 -0.72 4.57 6.09 -0.64 -0.42 117.51 127.56 3lb5 h ILE 67 Ca 0.01 -1.65 0.01 0.00 -1.37 0.00 0.00 64.86 61.86 3lb5 h ILE 67 Cb 0.21 1.78 -0.04 0.00 0.47 0.00 0.00 36.82 39.25 3lb5 h ILE 67 CO -0.00 0.49 0.48 0.50 -3.07 0.00 0.00 178.15 176.54 3lb5 h LYS 68 N 0.18 0.94 -0.12 2.19 3.64 -1.19 -1.38 116.57 120.83 3lb5 h LYS 68 Ca 0.01 -0.06 -0.19 0.00 -1.27 0.00 0.00 60.65 59.14 3lb5 h LYS 68 Cb 0.89 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.50 3lb5 h LYS 68 CO 0.07 0.62 -0.71 0.00 -2.27 0.00 0.00 179.45 177.17 3lb5 h ALA 69 N 1.27 0.53 -0.66 5.00 0.00 -0.96 -1.16 119.26 123.28 3lb5 h ALA 69 Ca 0.27 -0.59 0.04 0.00 0.00 0.00 0.00 54.91 54.63 3lb5 h ALA 69 Cb -0.10 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 3lb5 h ALA 69 CO -0.06 0.73 0.40 0.28 0.00 0.00 0.00 179.25 180.60 3lb5 h VAL 70 N 0.39 1.06 -0.25 0.00 2.07 -0.87 0.23 116.25 118.87 3lb5 h VAL 70 Ca -0.03 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 3lb5 h VAL 70 Cb 1.29 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 3lb5 h VAL 70 CO 0.13 0.14 0.09 -0.61 0.02 0.00 0.00 177.57 177.34 3lb5 h GLN 71 N 0.78 0.38 -0.75 1.57 4.15 -1.05 0.97 115.11 121.15 3lb5 h GLN 71 Ca 0.27 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.61 3lb5 h GLN 71 Cb 0.06 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.66 3lb5 h GLN 71 CO -0.12 0.44 0.43 -0.22 -1.93 0.00 0.00 178.83 177.42 3lb5 h LYS 72 N 0.25 1.03 -0.27 1.69 3.64 -0.78 -2.00 116.57 120.12 3lb5 h LYS 72 Ca 0.08 -0.11 -0.17 0.00 -1.27 0.00 0.00 60.65 59.18 3lb5 h LYS 72 Cb 0.20 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3lb5 h LYS 72 CO -0.01 0.76 -0.49 0.82 -2.27 0.00 0.00 179.45 178.26 3lb5 h ILE 73 N 1.03 1.29 -0.46 2.00 1.08 -0.42 -2.31 117.51 119.72 3lb5 h ILE 73 Ca 0.27 -1.68 0.07 0.00 -0.39 0.00 0.00 64.86 63.13 3lb5 h ILE 73 Cb 0.01 1.67 -0.06 0.00 -3.07 0.00 0.00 36.82 35.37 3lb5 h ILE 73 CO -0.05 0.54 0.11 0.00 -0.69 0.00 0.00 178.15 178.07 3lb5 h ALA 74 N 0.66 0.52 0.03 1.87 0.00 -0.53 0.16 119.26 121.97 3lb5 h ALA 74 Ca 0.02 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3lb5 h ALA 74 Cb 1.09 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3lb5 h ALA 74 CO 0.11 -0.29 -0.01 0.87 0.00 0.00 0.00 179.25 179.93 3lb5 h LYS 75 N 0.25 -0.04 -0.41 0.00 1.57 -1.33 -1.94 116.57 114.68 3lb5 h LYS 75 Ca 0.22 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.99 3lb5 h LYS 75 Cb 0.27 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 3lb5 h LYS 75 CO -0.28 0.02 0.19 0.00 -0.57 0.00 0.00 179.45 178.81 3lb5 h ALA 76 N 0.89 0.52 -0.39 3.86 0.00 -1.16 -1.81 119.26 121.17 3lb5 h ALA 76 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3lb5 h ALA 76 Cb 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3lb5 h ALA 76 CO 0.01 0.09 0.25 0.28 0.00 0.00 0.00 179.25 179.88 3lb5 h VAL 77 N 0.51 1.11 -0.69 0.00 2.07 -0.70 0.13 116.25 118.69 3lb5 h VAL 77 Ca 0.14 -0.24 0.04 0.00 0.82 0.00 0.00 66.70 67.46 3lb5 h VAL 77 Cb 0.13 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 3lb5 h VAL 77 CO -0.02 0.11 0.42 0.50 0.02 0.00 0.00 177.57 178.61 3lb5 h LYS 78 N 0.52 0.79 -0.22 1.57 3.64 -1.22 -2.26 116.57 119.39 3lb5 h LYS 78 Ca 0.14 -0.05 -0.20 0.00 -1.27 0.00 0.00 60.65 59.27 3lb5 h LYS 78 Cb -0.03 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 31.62 3lb5 h LYS 78 CO -0.03 0.52 -0.66 -0.22 -2.27 0.00 0.00 179.45 176.80 3lb5 h LYS 79 N 0.81 0.84 -0.16 1.90 3.64 -1.06 0.23 116.57 122.78 3lb5 h LYS 79 Ca 0.29 -0.60 -0.04 0.00 -1.27 0.00 0.00 60.65 59.02 3lb5 h LYS 79 Cb 0.07 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 3lb5 h LYS 79 CO -0.13 1.23 -0.09 0.00 -2.27 0.00 0.00 179.45 178.18 3lb5 h ALA 80 N 0.61 1.56 -0.02 5.00 0.00 -0.48 -3.13 119.26 122.80 3lb5 h ALA 80 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3lb5 h ALA 80 Cb 1.28 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3lb5 h ALA 80 CO 0.14 0.32 0.00 1.19 0.00 0.00 0.00 179.25 180.90 3lb5 n PHE 81 N -4.31 0.02 -3.92 0.00 3.72 -0.87 -4.91 117.46 107.18 3lb5 n PHE 81 Ca -0.01 -0.33 -0.25 0.00 -0.05 0.00 0.00 57.45 56.82 3lb5 n PHE 81 Cb 0.24 -0.03 -0.01 0.00 -0.94 0.00 0.00 39.48 38.73 3lb5 n PHE 81 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3lb5 n GLN 82 N -0.27 -3.53 -2.66 -1.08 3.00 -0.05 -4.88 117.38 107.91 3lb5 n GLN 82 Ca 0.01 0.43 -0.36 0.00 -0.01 0.00 0.00 57.00 57.08 3lb5 n GLN 82 Cb 0.18 -4.64 -0.05 0.00 0.00 0.00 0.00 30.24 25.73 3lb5 n GLN 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3lb5 s ALA 83 N -3.90 3.08 0.14 -1.58 0.00 -0.49 -4.96 121.76 114.05 3lb5 s ALA 83 Ca 0.02 0.58 0.20 0.00 0.00 0.00 0.00 51.96 52.77 3lb5 s ALA 83 Cb -0.01 -3.22 0.75 0.00 0.00 0.00 0.00 23.12 20.63 3lb5 s ALA 83 CO 0.88 -0.06 1.76 -0.44 0.00 0.00 0.00 175.76 177.90 3lb5 h ASP 84 N 2.43 0.00 -5.11 0.00 3.32 -0.86 -3.48 116.42 112.72 3lb5 h ASP 84 Ca -0.48 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.58 3lb5 h ASP 84 Cb 1.20 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.69 3lb5 h ASP 84 CO 0.62 0.32 0.08 -0.83 -1.72 0.00 0.00 179.24 177.71 3lb5 s GLY 85 N -4.33 0.22 -0.05 2.75 0.00 -0.43 -4.97 107.32 100.51 3lb5 s GLY 85 Ca 0.00 -0.58 0.01 0.00 0.00 0.00 0.00 44.72 44.15 3lb5 s GLY 85 CO 0.67 -0.34 -0.04 -0.42 0.00 0.00 0.00 173.10 172.97 3lb5 s ILE 86 N -3.90 0.52 -0.19 0.90 -1.09 -1.26 -0.47 121.20 115.70 3lb5 s ILE 86 Ca 0.16 -0.09 -0.06 0.00 -2.23 0.00 0.00 60.65 58.43 3lb5 s ILE 86 Cb -0.04 -0.56 -0.03 0.00 -1.58 0.00 0.00 42.46 40.25 3lb5 s ILE 86 CO 0.08 0.23 0.02 -0.89 -1.23 0.00 0.00 174.94 173.16 3lb5 s THR 87 N 1.05 4.26 -0.14 2.92 2.01 -0.19 -4.95 115.64 120.60 3lb5 s THR 87 Ca -0.09 -0.21 -0.02 0.00 0.31 0.00 0.00 61.69 61.68 3lb5 s THR 87 Cb -0.14 -2.93 -0.02 0.00 0.01 0.00 0.00 72.50 69.42 3lb5 s THR 87 CO -0.01 0.43 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.60 3lb5 s VAL 88 N 0.78 3.60 0.03 3.82 1.01 -1.26 -0.77 120.40 127.62 3lb5 s VAL 88 Ca 0.01 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.55 3lb5 s VAL 88 Cb -0.14 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 3lb5 s VAL 88 CO 0.02 0.51 -0.07 -0.04 0.00 0.00 0.00 175.10 175.52 3lb5 s MET 89 N 0.23 0.49 -0.14 2.72 -1.94 -0.96 -4.98 119.30 114.73 3lb5 s MET 89 Ca -0.05 -0.67 -0.05 0.00 -1.71 0.00 0.00 55.69 53.21 3lb5 s MET 89 Cb -0.14 -0.27 0.06 0.00 2.01 0.00 0.00 34.83 36.49 3lb5 s MET 89 CO 0.04 0.05 0.29 -1.14 -0.01 0.00 0.00 175.02 174.25 3lb5 s GLN 90 N -1.39 0.20 -0.12 2.03 -0.44 -1.26 -0.33 119.66 118.35 3lb5 s GLN 90 Ca -0.09 0.75 -0.02 0.00 -2.50 0.00 0.00 55.36 53.50 3lb5 s GLN 90 Cb -0.09 0.00 -0.03 0.00 -1.64 0.00 0.00 33.01 31.25 3lb5 s GLN 90 CO 0.00 -0.25 -0.03 -0.06 0.50 0.00 0.00 175.29 175.45 3lb5 s PHE 91 N 2.15 3.05 -0.24 1.67 0.08 -1.26 -5.08 117.98 118.34 3lb5 s PHE 91 Ca -0.02 -0.10 0.02 0.00 0.12 0.00 0.00 56.93 56.95 3lb5 s PHE 91 Cb -0.11 -1.87 0.05 0.00 -0.57 0.00 0.00 43.02 40.52 3lb5 s PHE 91 CO -0.09 0.17 -0.10 -0.80 -0.10 0.00 0.00 175.22 174.29 3lb5 s ASN 92 N -0.18 4.08 0.00 1.36 0.01 -1.26 -4.71 114.94 114.24 3lb5 s ASN 92 Ca 0.04 -1.23 0.00 0.00 -0.71 0.00 0.00 52.86 50.96 3lb5 s ASN 92 Cb -0.13 -1.42 0.00 0.00 0.41 0.00 0.00 41.25 40.11 3lb5 s ASN 92 CO 0.02 -0.18 0.00 -0.62 -1.51 0.00 0.00 177.10 174.81 3lb5 n GLU 93 N 4.53 0.00 -0.29 -0.60 -0.58 -1.26 -4.13 120.64 118.31 3lb5 n GLU 93 Ca -0.14 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.68 3lb5 n GLU 93 Cb 0.44 0.00 0.23 0.00 -0.57 0.00 0.00 31.44 31.54 3lb5 n GLU 93 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3lb5 h ALA 94 N 0.00 1.26 0.00 0.62 0.00 -1.94 -0.34 119.26 118.86 3lb5 h ALA 94 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3lb5 h ALA 94 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3lb5 h ALA 94 CO 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.08 3lb5 h ALA 95 N 1.59 1.00 -0.61 0.00 0.00 -1.91 0.17 119.26 119.51 3lb5 h ALA 95 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 3lb5 h ALA 95 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3lb5 h ALA 95 CO -0.41 0.00 0.00 0.45 0.00 0.00 0.00 179.25 179.29 3lb5 n SER 96 N -3.04 5.16 -1.27 0.00 2.88 -0.20 -4.95 113.62 112.21 3lb5 n SER 96 Ca -0.01 -2.67 -0.15 0.00 -1.33 0.00 0.00 58.87 54.71 3lb5 n SER 96 Cb 0.19 -0.62 -0.05 0.00 -0.75 0.00 0.00 64.21 62.98 3lb5 n SER 96 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3lb5 n GLN 97 N 0.86 -1.07 -2.02 -1.46 3.00 0.61 -4.62 117.38 112.68 3lb5 n GLN 97 Ca 0.27 0.95 -0.42 0.00 -0.01 0.00 0.00 57.00 57.79 3lb5 n GLN 97 Cb 1.02 -5.13 -0.03 0.00 0.00 0.00 0.00 30.24 26.11 3lb5 n GLN 97 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 3lb5 s GLN 98 N -3.61 4.25 -0.03 -1.09 0.74 -0.84 -4.91 119.66 114.18 3lb5 s GLN 98 Ca 0.00 2.26 0.01 0.00 0.05 0.00 0.00 55.36 57.68 3lb5 s GLN 98 Cb 0.00 -3.18 -0.02 0.00 1.10 0.00 0.00 33.01 30.91 3lb5 s GLN 98 CO 0.00 -0.54 -0.02 0.25 -0.55 0.00 0.00 175.29 174.43 3lb5 n THR 99 N 3.84 0.17 -3.53 -0.34 -2.24 -1.26 -4.19 114.28 106.73 3lb5 n THR 99 Ca 0.13 -0.07 -0.38 0.00 -2.27 0.00 0.00 64.05 61.45 3lb5 n THR 99 Cb 0.40 -0.68 -0.10 0.00 -2.10 0.00 0.00 70.33 67.85 3lb5 n THR 99 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3lb5 s VAL 100 N -2.06 5.27 -1.29 2.28 1.01 -1.26 -5.01 120.40 119.34 3lb5 s VAL 100 Ca -0.03 0.33 -0.06 0.00 0.00 0.00 0.00 61.98 62.22 3lb5 s VAL 100 Cb 0.01 -3.59 0.10 0.00 0.00 0.00 0.00 36.38 32.90 3lb5 s VAL 100 CO 0.07 0.23 2.45 -1.22 0.00 0.00 0.00 175.10 176.64 3lb5 n TYR 101 N 5.00 2.52 -3.98 5.22 4.01 -1.26 -4.76 117.16 123.92 3lb5 n TYR 101 Ca -0.12 -2.79 -0.17 0.00 -0.16 0.00 0.00 57.90 54.67 3lb5 n TYR 101 Cb 0.52 -1.85 -0.16 0.00 -0.31 0.00 0.00 39.34 37.54 3lb5 n TYR 101 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 3lb5 s HIS 102 N -0.98 0.34 -0.02 -0.72 2.46 -1.07 -4.24 115.29 111.05 3lb5 s HIS 102 Ca 0.55 -0.03 -0.37 0.00 0.47 0.00 0.00 55.06 55.69 3lb5 s HIS 102 Cb 0.20 -0.37 -0.15 0.00 -0.13 0.00 0.00 32.58 32.12 3lb5 s HIS 102 CO -0.10 -0.10 1.55 -0.11 -2.47 0.00 0.00 174.74 173.50 3lb5 n LEU 103 N 3.85 2.25 -3.77 8.88 7.94 -0.45 -4.79 117.00 130.91 3lb5 n LEU 103 Ca -0.24 1.09 -0.13 0.00 -1.11 0.00 0.00 56.01 55.62 3lb5 n LEU 103 Cb 0.52 -1.23 -0.11 0.00 0.53 0.00 0.00 43.42 43.13 3lb5 n LEU 103 CO 0.23 -0.66 -0.05 -1.38 -1.11 0.00 0.00 177.39 174.43 3lb5 s HIS 104 N 1.79 -0.31 -0.11 1.96 -3.43 -1.26 -4.20 115.29 109.73 3lb5 s HIS 104 Ca 0.88 0.76 -0.04 0.00 -0.80 0.00 0.00 55.06 55.86 3lb5 s HIS 104 Cb -0.92 0.11 -0.04 0.00 -1.43 0.00 0.00 32.58 30.30 3lb5 s HIS 104 CO 0.51 -0.16 0.05 -0.06 -2.00 0.00 0.00 174.74 173.09 3lb5 s PHE 105 N 0.11 3.32 -0.01 0.38 0.08 -0.60 -4.45 117.98 116.82 3lb5 s PHE 105 Ca -0.00 0.30 -0.18 0.00 0.12 0.00 0.00 56.93 57.16 3lb5 s PHE 105 Cb -0.02 -1.86 -0.06 0.00 -0.57 0.00 0.00 43.02 40.51 3lb5 s PHE 105 CO 0.00 0.53 0.51 -1.01 -0.10 0.00 0.00 175.22 175.16 3lb5 s HIS 106 N -0.83 3.69 -0.23 0.36 3.76 0.55 -1.22 115.29 121.37 3lb5 s HIS 106 Ca 0.13 1.09 0.01 0.00 -0.15 0.00 0.00 55.06 56.14 3lb5 s HIS 106 Cb -0.12 -2.47 0.06 0.00 1.11 0.00 0.00 32.58 31.16 3lb5 s HIS 106 CO 0.03 0.46 -0.07 0.42 -0.85 0.00 0.00 174.74 174.73 3lb5 s ILE 107 N -0.52 1.63 -0.19 0.60 1.09 0.16 -2.26 121.20 121.70 3lb5 s ILE 107 Ca 0.27 -1.25 0.01 0.00 -1.10 0.00 0.00 60.65 58.57 3lb5 s ILE 107 Cb -0.17 -1.85 0.02 0.00 -1.06 0.00 0.00 42.46 39.39 3lb5 s ILE 107 CO 0.15 -0.06 -0.17 -0.63 -0.10 0.00 0.00 174.94 174.13 3lb5 s ILE 108 N 1.36 2.23 0.50 2.92 1.01 0.05 -1.10 121.20 128.17 3lb5 s ILE 108 Ca -0.06 -0.96 -0.21 0.00 0.00 0.00 0.00 60.65 59.43 3lb5 s ILE 108 Cb -0.19 -1.98 -0.07 0.00 0.01 0.00 0.00 42.46 40.23 3lb5 s ILE 108 CO -0.06 0.47 1.12 -2.16 0.00 0.00 0.00 174.94 174.31 3lb5 s PRO 109 N 1.29 3.58 0.01 2.79 0.04 -1.26 -1.02 135.00 140.43 3lb5 s PRO 109 Ca 0.04 1.61 0.05 0.00 0.04 0.00 0.00 61.00 62.74 3lb5 s PRO 109 Cb -0.14 -2.16 -0.02 0.00 0.04 0.00 0.00 34.50 32.23 3lb5 s PRO 109 CO -0.11 -0.66 -0.16 1.03 0.04 0.00 0.00 177.00 177.13 3lb5 s ARG 110 N -3.07 1.20 0.01 4.56 1.81 0.38 -4.81 118.95 119.02 3lb5 s ARG 110 Ca 0.69 -0.68 0.08 0.00 -1.72 0.00 0.00 55.73 54.09 3lb5 s ARG 110 Cb -0.24 -1.20 -0.03 0.00 -0.45 0.00 0.00 34.95 33.04 3lb5 s ARG 110 CO 0.28 0.32 -0.23 -1.64 -0.68 0.00 0.00 175.30 173.34 3lb5 s MET 111 N -0.72 2.03 -0.05 3.54 -1.94 -1.26 -0.12 119.30 120.77 3lb5 s MET 111 Ca 0.05 -0.98 -0.39 0.00 -1.71 0.00 0.00 55.69 52.66 3lb5 s MET 111 Cb -0.07 -2.08 -0.17 0.00 2.01 0.00 0.00 34.83 34.52 3lb5 s MET 111 CO 0.00 0.55 1.42 -0.85 -0.01 0.00 0.00 175.02 176.13 3lb5 n GLU 112 N 2.01 0.94 -0.95 2.03 0.00 -1.26 -1.81 120.64 121.60 3lb5 n GLU 112 Ca -0.16 0.34 0.00 0.00 0.00 0.00 0.00 57.16 57.34 3lb5 n GLU 112 Cb 0.52 -1.97 0.00 0.00 0.00 0.00 0.00 31.44 29.99 3lb5 n GLU 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3lb5 n GLY 113 N 2.90 1.09 3.41 -1.84 0.00 -1.26 -5.01 105.19 104.49 3lb5 n GLY 113 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 3lb5 n GLY 113 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lb5 s ILE 114 N -3.95 4.55 0.40 -0.61 1.09 -0.75 -5.09 121.20 116.83 3lb5 s ILE 114 Ca 0.00 -0.56 -0.23 0.00 -1.10 0.00 0.00 60.65 58.75 3lb5 s ILE 114 Cb 0.00 -3.38 -0.10 0.00 -1.06 0.00 0.00 42.46 37.92 3lb5 s ILE 114 CO 0.00 -0.02 1.00 -1.83 -0.10 0.00 0.00 174.94 173.99 3lb5 s GLU 115 N 1.59 4.24 0.43 2.79 1.03 -1.26 -4.66 118.70 122.86 3lb5 s GLU 115 Ca 0.04 1.36 -0.22 0.00 0.03 0.00 0.00 54.97 56.17 3lb5 s GLU 115 Cb -0.18 -2.47 -0.09 0.00 -0.80 0.00 0.00 34.13 30.59 3lb5 s GLU 115 CO 0.06 -0.05 1.02 -0.51 -1.33 0.00 0.00 175.26 174.46 3lb5 s LEU 116 N -2.72 4.02 -0.23 1.83 1.43 -1.26 -5.13 118.68 116.62 3lb5 s LEU 116 Ca 0.58 1.93 -0.10 0.00 -1.03 0.00 0.00 54.13 55.51 3lb5 s LEU 116 Cb -0.17 -4.36 -0.05 0.00 0.03 0.00 0.00 46.19 41.64 3lb5 s LEU 116 CO 0.22 -0.54 0.14 -0.63 0.23 0.00 0.00 176.35 175.77 3lb5 s ILE 123 N -1.85 5.18 -0.15 -0.59 -1.09 -1.26 -5.20 121.20 116.24 3lb5 s ILE 123 Ca 0.61 0.12 0.02 0.00 -2.23 0.00 0.00 60.65 59.16 3lb5 s ILE 123 Cb -0.18 -3.40 0.02 0.00 -1.58 0.00 0.00 42.46 37.31 3lb5 s ILE 123 CO 0.22 0.36 -0.19 -0.89 -1.23 0.00 0.00 174.94 173.22 3lb5 s THR 124 N 0.99 1.88 0.50 2.92 2.01 -0.69 -5.03 115.64 118.22 3lb5 s THR 124 Ca 0.07 -0.85 -0.22 0.00 0.31 0.00 0.00 61.69 60.99 3lb5 s THR 124 Cb -0.13 -1.70 -0.08 0.00 0.01 0.00 0.00 72.50 70.60 3lb5 s THR 124 CO 0.04 0.51 1.07 -0.81 -0.69 0.00 0.00 174.62 174.74 3lb5 n PRO 125 N 4.37 1.33 -0.34 4.92 -0.04 -1.26 -4.79 135.00 139.20 3lb5 n PRO 125 Ca -0.20 0.49 0.09 0.00 -0.04 0.00 0.00 63.50 63.84 3lb5 n PRO 125 Cb 0.51 -2.19 0.26 0.00 -0.04 0.00 0.00 33.50 32.04 3lb5 n PRO 125 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3lb5 h THR 126 N 1.26 0.77 -0.90 0.52 2.02 -1.99 -1.88 112.91 112.72 3lb5 h THR 126 Ca -0.47 -0.27 0.07 0.00 0.77 0.00 0.00 66.41 66.51 3lb5 h THR 126 Cb 1.34 -0.07 -0.06 0.00 -1.74 0.00 0.00 68.15 67.61 3lb5 h THR 126 CO 0.55 0.14 0.56 -0.08 0.37 0.00 0.00 175.52 177.07 3lb5 h GLU 127 N 0.78 0.98 -0.32 6.66 4.81 -1.99 0.01 114.58 125.50 3lb5 h GLU 127 Ca 0.52 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.60 3lb5 h GLU 127 Cb 0.70 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 3lb5 h GLU 127 CO -0.34 0.65 -0.14 0.82 -0.73 0.00 0.00 179.01 179.27 3lb5 h ILE 128 N 1.01 1.29 -0.43 2.32 2.04 -1.71 -1.67 117.51 120.36 3lb5 h ILE 128 Ca 0.40 -1.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 3lb5 h ILE 128 Cb 0.20 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 3lb5 h ILE 128 CO -0.18 0.40 0.23 -0.07 0.00 0.00 0.00 178.15 178.53 3lb5 h LEU 129 N 0.43 0.52 -0.37 1.44 3.38 -1.23 -1.59 115.31 117.88 3lb5 h LEU 129 Ca 0.07 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 3lb5 h LEU 129 Cb 0.66 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3lb5 h LEU 129 CO 0.04 0.42 -0.27 -0.33 0.09 0.00 0.00 178.44 178.40 3lb5 h GLU 130 N 0.59 0.84 -0.61 1.13 4.39 -0.81 0.65 114.58 120.76 3lb5 h GLU 130 Ca 0.15 -0.40 0.08 0.00 0.34 0.00 0.00 59.36 59.53 3lb5 h GLU 130 Cb 0.02 -0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.60 3lb5 h GLU 130 CO -0.03 1.04 0.26 0.93 -1.16 0.00 0.00 179.01 180.06 3lb5 h GLU 131 N 0.64 0.46 -0.27 2.33 5.08 -0.88 -2.17 114.58 119.77 3lb5 h GLU 131 Ca 0.07 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.23 3lb5 h GLU 131 Cb 0.84 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 3lb5 h GLU 131 CO 0.07 0.30 -0.51 -0.91 -1.00 0.00 0.00 179.01 176.96 3lb5 h ASN 132 N 0.47 0.86 -0.55 1.42 2.35 -1.04 -3.01 115.58 116.08 3lb5 h ASN 132 Ca 0.30 -0.45 -0.02 0.00 -0.55 0.00 0.00 56.30 55.59 3lb5 h ASN 132 Cb 0.33 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.43 3lb5 h ASN 132 CO -0.27 1.21 0.28 0.00 -1.65 0.00 0.00 177.43 177.00 3lb5 h ALA 133 N 0.81 1.39 -0.51 -0.83 0.00 -0.71 -2.55 119.26 116.86 3lb5 h ALA 133 Ca 0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3lb5 h ALA 133 Cb 1.10 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3lb5 h ALA 133 CO 0.11 0.48 0.25 1.57 0.00 0.00 0.00 179.25 181.66 3lb5 h LYS 134 N 0.82 0.72 -0.66 0.00 2.10 -1.26 0.10 116.57 118.41 3lb5 h LYS 134 Ca 0.20 -0.10 0.04 0.00 -2.00 0.00 0.00 60.65 58.80 3lb5 h LYS 134 Cb 0.09 -0.13 -0.05 0.00 -0.90 0.00 0.00 32.23 31.24 3lb5 h LYS 134 CO -0.03 0.59 0.39 0.87 -2.00 0.00 0.00 179.45 179.27 3lb5 h LYS 135 N 0.67 0.72 -0.37 0.07 1.57 -1.47 -1.24 116.57 116.53 3lb5 h LYS 135 Ca 0.18 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.83 3lb5 h LYS 135 Cb 0.10 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3lb5 h LYS 135 CO -0.02 0.48 -0.11 0.82 -0.57 0.00 0.00 179.45 180.05 3lb5 h ILE 136 N 0.74 1.28 -0.78 1.86 2.04 -1.04 -2.63 117.51 118.98 3lb5 h ILE 136 Ca 0.28 -1.19 0.04 0.00 1.00 0.00 0.00 64.86 64.98 3lb5 h ILE 136 Cb 0.10 1.29 -0.05 0.00 -0.74 0.00 0.00 36.82 37.42 3lb5 h ILE 136 CO -0.14 0.39 0.49 0.03 0.00 0.00 0.00 178.15 178.92 3lb5 h ARG 137 N 0.51 0.91 -0.20 2.37 3.08 -0.78 -2.04 114.38 118.23 3lb5 h ARG 137 Ca 0.09 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 3lb5 h ARG 137 Cb 0.63 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 3lb5 h ARG 137 CO 0.04 0.60 -0.04 0.00 -1.07 0.00 0.00 179.97 179.50 3lb5 h ALA 138 N 1.34 1.56 -0.01 0.04 0.00 -1.06 -2.92 119.26 118.21 3lb5 h ALA 138 Ca 0.32 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3lb5 h ALA 138 Cb 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3lb5 h ALA 138 CO -0.13 0.32 -0.22 0.00 0.00 0.00 0.00 179.25 179.22 3lb5 n ALA 139 N -2.49 2.99 0.92 0.00 0.00 -0.79 -5.11 120.51 116.02 3lb5 n ALA 139 Ca -0.00 -0.34 0.07 0.00 0.00 0.00 0.00 53.44 53.18 3lb5 n ALA 139 Cb 0.22 -1.22 0.44 0.00 0.00 0.00 0.00 19.45 18.89 3lb5 n ALA 139 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78