#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gbo s SER 2 N 0.00 7.22 0.32 4.37 0.15 -1.26 -4.92 113.70 119.59 3gbo s SER 2 Ca 0.00 1.46 -0.29 0.00 0.70 0.00 0.00 55.95 57.82 3gbo s SER 2 Cb 0.00 -2.46 -0.12 0.00 -1.71 0.00 0.00 66.02 61.73 3gbo s SER 2 CO 0.00 0.05 1.52 -0.81 1.20 0.00 0.00 173.24 175.21 3gbo n PRO 3 N 2.60 2.61 -4.25 5.44 -0.04 -1.26 -4.91 135.00 135.19 3gbo n PRO 3 Ca -0.03 0.92 -0.14 0.00 -0.04 0.00 0.00 63.50 64.21 3gbo n PRO 3 Cb 0.50 -2.67 -0.10 0.00 -0.04 0.00 0.00 33.50 31.19 3gbo n PRO 3 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3gbo s ARG 4 N -1.17 1.06 -0.02 0.54 1.81 -0.71 -4.95 118.95 115.51 3gbo s ARG 4 Ca 0.60 -1.44 0.01 0.00 -1.72 0.00 0.00 55.73 53.17 3gbo s ARG 4 Cb -0.50 -0.64 0.02 0.00 -0.45 0.00 0.00 34.95 33.38 3gbo s ARG 4 CO 0.55 0.08 -0.01 -1.58 -0.68 0.00 0.00 175.30 173.66 3gbo s HIS 5 N -3.26 0.31 -0.25 -0.53 5.65 -0.30 -1.56 115.29 115.35 3gbo s HIS 5 Ca 0.16 -0.01 -0.07 0.00 0.25 0.00 0.00 55.06 55.39 3gbo s HIS 5 Cb 0.02 -0.36 -0.03 0.00 -1.18 0.00 0.00 32.58 31.04 3gbo s HIS 5 CO 0.01 -0.10 0.06 0.42 -0.65 0.00 0.00 174.74 174.47 3gbo s ILE 6 N 0.78 4.21 -0.49 0.89 1.01 0.10 -4.37 121.20 123.33 3gbo s ILE 6 Ca -0.08 -0.22 -0.24 0.00 0.00 0.00 0.00 60.65 60.11 3gbo s ILE 6 Cb -0.11 -2.97 0.03 0.00 0.01 0.00 0.00 42.46 39.42 3gbo s ILE 6 CO -0.01 0.34 0.86 -1.61 0.00 0.00 0.00 174.94 174.52 3gbo s GLU 7 N 1.60 3.40 -0.10 2.79 2.02 -1.26 -0.94 118.70 126.21 3gbo s GLU 7 Ca 0.06 -0.12 -0.05 0.00 0.02 0.00 0.00 54.97 54.88 3gbo s GLU 7 Cb -0.15 -3.98 -0.04 0.00 0.10 0.00 0.00 34.13 30.06 3gbo s GLU 7 CO 0.03 -1.27 0.10 -1.17 0.02 0.00 0.00 175.26 172.97 3gbo s LEU 8 N 3.59 4.13 -0.13 1.80 2.96 0.24 -0.47 118.68 130.80 3gbo s LEU 8 Ca 0.31 0.36 0.00 0.00 -0.22 0.00 0.00 54.13 54.58 3gbo s LEU 8 Cb -0.12 -2.01 -0.01 0.00 0.50 0.00 0.00 46.19 44.55 3gbo s LEU 8 CO 0.22 0.39 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.82 3gbo s VAL 9 N -0.99 2.99 -0.15 1.68 1.01 -0.30 0.21 120.40 124.84 3gbo s VAL 9 Ca 0.15 -0.68 -0.07 0.00 0.00 0.00 0.00 61.98 61.37 3gbo s VAL 9 Cb -0.12 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 3gbo s VAL 9 CO 0.04 0.52 0.11 -0.69 0.00 0.00 0.00 175.10 175.08 3gbo s VAL 10 N 0.38 5.21 -0.16 2.92 1.01 -1.00 -1.20 120.40 127.55 3gbo s VAL 10 Ca -0.11 0.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.97 3gbo s VAL 10 Cb -0.16 -3.31 -0.00 0.00 0.00 0.00 0.00 36.38 32.91 3gbo s VAL 10 CO 0.06 0.53 -0.13 -0.69 0.00 0.00 0.00 175.10 174.87 3gbo s VAL 11 N -0.31 2.86 -0.15 2.92 1.01 0.09 -0.49 120.40 126.32 3gbo s VAL 11 Ca 0.10 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 3gbo s VAL 11 Cb -0.12 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 3gbo s VAL 11 CO 0.01 0.50 -0.02 0.00 0.00 0.00 0.00 175.10 175.59 3gbo s ALA 12 N 0.87 3.10 0.93 5.51 0.00 0.54 0.35 121.76 133.06 3gbo s ALA 12 Ca -0.04 -0.81 -0.13 0.00 0.00 0.00 0.00 51.96 50.98 3gbo s ALA 12 Cb -0.15 -1.59 0.20 0.00 0.00 0.00 0.00 23.12 21.58 3gbo s ALA 12 CO -0.00 0.28 1.27 0.16 0.00 0.00 0.00 175.76 177.47 3gbo s ASP 13 N 0.14 3.23 0.30 0.00 -4.77 -0.92 -1.16 116.67 113.50 3gbo s ASP 13 Ca -0.00 0.10 0.01 0.00 -3.30 0.00 0.00 52.55 49.36 3gbo s ASP 13 Cb -0.13 -0.16 0.48 0.00 -1.09 0.00 0.00 42.92 42.01 3gbo s ASP 13 CO 0.02 -2.64 1.83 -0.74 0.70 0.00 0.00 175.17 174.35 3gbo h HIS 14 N -1.48 0.71 -0.75 2.11 -0.00 -1.88 -1.15 115.15 112.69 3gbo h HIS 14 Ca -0.43 -0.07 0.11 0.00 -0.00 0.00 0.00 60.37 59.98 3gbo h HIS 14 Cb 1.23 -0.20 -0.08 0.00 -0.00 0.00 0.00 27.41 28.36 3gbo h HIS 14 CO -1.09 0.65 0.37 0.78 -0.00 0.00 0.00 177.93 178.64 3gbo h GLY 15 N 0.91 1.15 1.00 5.26 0.00 -1.92 -1.43 103.07 108.03 3gbo h GLY 15 Ca 0.14 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 3gbo h GLY 15 CO 0.01 0.02 0.36 -0.33 0.00 0.00 0.00 176.54 176.61 3gbo h MET 16 N 0.60 0.80 -0.36 4.80 2.86 -1.56 -0.68 114.93 121.39 3gbo h MET 16 Ca 0.38 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.97 3gbo h MET 16 Cb 0.46 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 3gbo h MET 16 CO -0.30 0.57 0.22 0.35 1.06 0.00 0.00 176.91 178.81 3gbo h PHE 17 N 0.80 0.41 -0.58 -0.22 3.57 -0.50 -0.83 116.94 119.60 3gbo h PHE 17 Ca 0.21 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.66 3gbo h PHE 17 Cb -0.03 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 3gbo h PHE 17 CO -0.02 0.25 0.09 0.87 -2.23 0.00 0.00 178.31 177.26 3gbo h LYS 18 N 0.45 0.96 -0.36 1.11 1.79 -1.17 0.26 116.57 119.60 3gbo h LYS 18 Ca 0.14 -0.26 -0.02 0.00 -2.18 0.00 0.00 60.65 58.34 3gbo h LYS 18 Cb -0.01 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.51 3gbo h LYS 18 CO -0.06 0.91 0.16 -0.22 -1.08 0.00 0.00 179.45 179.17 3gbo h LYS 19 N 0.85 0.51 -0.96 3.15 3.64 -0.68 -2.18 116.57 120.90 3gbo h LYS 19 Ca 0.17 -0.06 -0.58 0.00 -1.27 0.00 0.00 60.65 58.92 3gbo h LYS 19 Cb 0.42 -0.10 -0.29 0.00 -0.41 0.00 0.00 32.23 31.85 3gbo h LYS 19 CO 0.01 0.41 0.67 0.66 -2.27 0.00 0.00 179.45 178.94 3gbo n TYR 20 N -4.40 3.04 -2.61 1.91 4.01 -0.36 -4.89 117.16 113.87 3gbo n TYR 20 Ca 0.02 -2.42 -0.21 0.00 -0.16 0.00 0.00 57.90 55.14 3gbo n TYR 20 Cb 0.13 -1.15 0.00 0.00 -0.31 0.00 0.00 39.34 38.01 3gbo n TYR 20 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3gbo n ASN 21 N -1.02 -5.72 -2.64 7.72 3.02 -0.82 -2.07 115.26 113.72 3gbo n ASN 21 Ca 0.60 -0.08 -0.19 0.00 -0.03 0.00 0.00 54.58 54.88 3gbo n ASN 21 Cb 1.14 -4.72 0.00 0.00 -0.61 0.00 0.00 39.78 35.58 3gbo n ASN 21 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3gbo n SER 22 N -2.15 -5.11 -4.14 6.41 7.64 0.89 -4.94 113.62 112.23 3gbo n SER 22 Ca -0.19 -0.05 -0.34 0.00 1.01 0.00 0.00 58.87 59.29 3gbo n SER 22 Cb 0.66 -4.24 -0.14 0.00 -1.01 0.00 0.00 64.21 59.48 3gbo n SER 22 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3gbo s ASN 23 N -2.25 4.91 0.25 6.43 3.84 -0.88 -4.99 114.94 122.25 3gbo s ASN 23 Ca 0.11 -1.54 -0.05 0.00 0.21 0.00 0.00 52.86 51.59 3gbo s ASN 23 Cb -0.05 -1.71 0.28 0.00 -0.55 0.00 0.00 41.25 39.22 3gbo s ASN 23 CO 0.13 -0.33 1.85 -0.07 -2.79 0.00 0.00 177.10 175.90 3gbo h LEU 24 N 7.94 1.02 -1.07 3.21 3.38 -1.92 -2.04 115.31 125.83 3gbo h LEU 24 Ca -0.17 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 57.73 3gbo h LEU 24 Cb 1.05 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.48 3gbo h LEU 24 CO 0.56 0.86 0.62 -1.13 0.09 0.00 0.00 178.44 179.44 3gbo h ASN 25 N 1.12 1.01 -0.58 -0.43 -0.73 -1.96 0.33 115.58 114.35 3gbo h ASN 25 Ca 0.27 -0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.41 3gbo h ASN 25 Cb 0.10 -0.22 -0.03 0.00 0.27 0.00 0.00 38.32 38.44 3gbo h ASN 25 CO -0.04 0.68 0.26 0.74 -0.37 0.00 0.00 177.43 178.70 3gbo h THR 26 N 1.17 1.21 -0.67 -3.57 2.02 -1.70 0.42 112.91 111.79 3gbo h THR 26 Ca 0.39 -0.63 -0.04 0.00 0.77 0.00 0.00 66.41 66.90 3gbo h THR 26 Cb 0.07 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 3gbo h THR 26 CO -0.13 0.25 0.27 0.40 0.37 0.00 0.00 175.52 176.68 3gbo h ILE 27 N 0.79 1.24 -0.98 3.11 2.04 -1.29 -1.97 117.51 120.45 3gbo h ILE 27 Ca 0.20 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.32 3gbo h ILE 27 Cb 0.15 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 36.66 3gbo h ILE 27 CO -0.02 0.30 0.62 0.03 0.00 0.00 0.00 178.15 179.08 3gbo h ARG 28 N 0.94 1.31 -0.56 2.37 3.08 -0.39 -0.53 114.38 120.60 3gbo h ARG 28 Ca 0.22 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 3gbo h ARG 28 Cb 0.20 -0.29 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 3gbo h ARG 28 CO -0.02 0.89 0.22 -0.22 -1.07 0.00 0.00 179.97 179.77 3gbo h LYS 29 N 1.34 0.83 -0.05 0.04 3.64 -0.52 0.64 116.57 122.49 3gbo h LYS 29 Ca 0.36 -0.15 0.01 0.00 -1.27 0.00 0.00 60.65 59.59 3gbo h LYS 29 Cb -0.11 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.56 3gbo h LYS 29 CO -0.07 0.72 -0.01 2.35 -2.27 0.00 0.00 179.45 180.17 3gbo h TRP 30 N 0.76 -0.02 -0.51 1.91 2.91 -0.84 -2.54 115.95 117.62 3gbo h TRP 30 Ca 0.18 0.00 -0.11 0.00 1.13 0.00 0.00 58.89 60.10 3gbo h TRP 30 Cb 0.20 0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 28.85 3gbo h TRP 30 CO 0.01 -0.02 -0.11 0.28 -1.03 0.00 0.00 178.44 177.57 3gbo h VAL 31 N 0.01 1.27 -0.39 2.65 2.07 -0.97 -2.15 116.25 118.73 3gbo h VAL 31 Ca 0.03 -1.25 0.08 0.00 0.82 0.00 0.00 66.70 66.37 3gbo h VAL 31 Cb 0.03 0.99 -0.07 0.00 -1.52 0.00 0.00 31.29 30.72 3gbo h VAL 31 CO -0.05 0.44 -0.06 -0.74 0.02 0.00 0.00 177.57 177.17 3gbo h HIS 32 N 0.85 -0.14 -0.41 1.57 -0.00 -0.78 0.16 115.15 116.41 3gbo h HIS 32 Ca 0.13 0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.46 3gbo h HIS 32 Cb 0.66 0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 28.17 3gbo h HIS 32 CO 0.04 -0.14 -0.05 1.49 -0.00 0.00 0.00 177.93 179.27 3gbo h GLU 33 N 0.04 0.68 -0.21 5.26 4.81 -1.29 -0.96 114.58 122.91 3gbo h GLU 33 Ca 0.19 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 3gbo h GLU 33 Cb 0.29 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 3gbo h GLU 33 CO -0.38 0.73 -0.03 1.98 -0.73 0.00 0.00 179.01 180.58 3gbo h MET 34 N 0.63 0.38 -0.71 1.92 4.05 -0.57 -1.73 114.93 118.91 3gbo h MET 34 Ca 0.12 -0.14 -0.00 0.00 -0.28 0.00 0.00 59.70 59.40 3gbo h MET 34 Cb 0.47 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.21 3gbo h MET 34 CO 0.02 0.62 0.44 0.28 0.23 0.00 0.00 176.91 178.50 3gbo h VAL 35 N 0.12 1.20 -0.37 -5.77 2.07 -0.54 -0.38 116.25 112.58 3gbo h VAL 35 Ca 0.05 -0.42 0.07 0.00 0.82 0.00 0.00 66.70 67.23 3gbo h VAL 35 Cb 0.46 0.20 -0.07 0.00 -1.52 0.00 0.00 31.29 30.36 3gbo h VAL 35 CO 0.02 0.20 -0.09 0.78 0.02 0.00 0.00 177.57 178.50 3gbo h ASN 36 N 0.97 -0.34 -0.48 0.57 2.35 -0.96 -1.03 115.58 116.66 3gbo h ASN 36 Ca 0.26 0.11 -0.06 0.00 -0.55 0.00 0.00 56.30 56.06 3gbo h ASN 36 Cb -0.05 0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 3gbo h ASN 36 CO -0.05 -0.12 0.10 0.28 -1.65 0.00 0.00 177.43 175.99 3gbo h SER 37 N 0.00 0.79 -0.63 5.81 0.02 -0.93 -2.25 113.55 116.36 3gbo h SER 37 Ca 0.18 -0.15 -0.05 0.00 -0.84 0.00 0.00 61.79 60.92 3gbo h SER 37 Cb 0.27 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 3gbo h SER 37 CO -0.38 0.79 0.19 0.24 -1.14 0.00 0.00 176.83 176.53 3gbo h MET 38 N 0.80 0.98 -0.34 3.45 2.86 -0.44 -1.07 114.93 121.17 3gbo h MET 38 Ca 0.17 -0.22 0.01 0.00 -2.06 0.00 0.00 59.70 57.61 3gbo h MET 38 Cb 0.34 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 3gbo h MET 38 CO 0.00 0.87 0.23 -0.91 1.06 0.00 0.00 176.91 178.16 3gbo h ASN 39 N 0.91 0.36 -0.12 1.22 2.35 -0.89 0.18 115.58 119.59 3gbo h ASN 39 Ca 0.20 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.94 3gbo h ASN 39 Cb 0.30 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 3gbo h ASN 39 CO -0.00 0.26 0.05 1.23 -1.65 0.00 0.00 177.43 177.32 3gbo h GLY 40 N 0.43 0.19 0.99 2.83 0.00 -0.74 -2.07 103.07 104.70 3gbo h GLY 40 Ca 0.13 -0.10 0.03 0.00 0.00 0.00 0.00 47.33 47.39 3gbo h GLY 40 CO -0.03 0.09 0.60 0.74 0.00 0.00 0.00 176.54 177.94 3gbo h PHE 41 N 0.06 1.11 -0.00 5.60 0.04 -0.07 -3.10 116.94 120.58 3gbo h PHE 41 Ca 0.04 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.84 3gbo h PHE 41 Cb 0.14 -0.37 0.00 0.00 2.20 0.00 0.00 35.95 37.92 3gbo h PHE 41 CO -0.02 0.65 -0.18 0.66 -0.60 0.00 0.00 178.31 178.81 3gbo n TYR 42 N -4.44 0.00 -0.34 -0.55 4.02 -0.06 -3.73 117.16 112.06 3gbo n TYR 42 Ca 0.12 0.00 0.17 0.00 -0.01 0.00 0.00 57.90 58.18 3gbo n TYR 42 Cb 0.10 -0.28 0.39 0.00 -0.02 0.00 0.00 39.34 39.53 3gbo n TYR 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3gbo h ARG 43 N 0.31 0.58 0.00 -0.72 3.08 -1.29 -1.54 114.38 114.81 3gbo h ARG 43 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3gbo h ARG 43 Cb 0.43 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.35 3gbo h ARG 43 CO 0.00 0.39 0.00 0.66 -1.07 0.00 0.00 179.97 179.95 3gbo h SER 44 N 0.60 0.00 -0.12 7.04 4.64 -1.80 -1.56 113.55 122.35 3gbo h SER 44 Ca 0.62 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.94 3gbo h SER 44 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3gbo h SER 44 CO -0.43 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 176.86 3gbo n VAL 45 N -2.46 1.29 -3.27 0.95 0.24 -0.61 -4.92 118.33 109.54 3gbo n VAL 45 Ca 0.01 -1.31 -0.23 0.00 -2.04 0.00 0.00 64.34 60.77 3gbo n VAL 45 Cb 0.18 0.30 0.05 0.00 -1.47 0.00 0.00 33.84 32.90 3gbo n VAL 45 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3gbo n ASP 46 N -0.38 -6.18 -4.68 -1.34 2.03 -0.59 -4.80 116.55 100.61 3gbo n ASP 46 Ca 0.08 -0.40 -0.35 0.00 0.52 0.00 0.00 54.79 54.64 3gbo n ASP 46 Cb 0.43 -4.94 -0.09 0.00 -0.72 0.00 0.00 41.12 35.80 3gbo n ASP 46 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3gbo s VAL 47 N -3.24 4.35 0.09 5.18 1.01 -0.99 -1.74 120.40 125.07 3gbo s VAL 47 Ca 0.43 -0.23 0.07 0.00 0.00 0.00 0.00 61.98 62.25 3gbo s VAL 47 Cb -0.19 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 3gbo s VAL 47 CO 0.53 0.60 -0.18 0.42 0.00 0.00 0.00 175.10 176.47 3gbo s THR 48 N -0.83 1.49 -0.00 3.92 -4.23 -0.60 -4.17 115.64 111.21 3gbo s THR 48 Ca 0.13 -1.47 0.07 0.00 -1.18 0.00 0.00 61.69 59.23 3gbo s THR 48 Cb -0.11 -1.39 -0.02 0.00 1.34 0.00 0.00 72.50 72.32 3gbo s THR 48 CO 0.02 -0.14 -0.22 0.00 -0.54 0.00 0.00 174.62 173.74 3gbo s ALA 49 N -1.25 1.85 0.09 3.99 0.00 -1.26 -0.72 121.76 124.45 3gbo s ALA 49 Ca 0.04 -0.99 0.10 0.00 0.00 0.00 0.00 51.96 51.11 3gbo s ALA 49 Cb -0.10 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.54 3gbo s ALA 49 CO 0.04 0.45 -0.25 -1.54 0.00 0.00 0.00 175.76 174.45 3gbo s SER 50 N -0.66 3.06 -0.58 0.00 1.04 -0.11 -4.94 113.70 111.51 3gbo s SER 50 Ca 0.09 -0.66 -0.24 0.00 0.48 0.00 0.00 55.95 55.62 3gbo s SER 50 Cb -0.09 -0.23 0.05 0.00 0.10 0.00 0.00 66.02 65.85 3gbo s SER 50 CO -0.00 0.19 0.95 -0.22 0.98 0.00 0.00 173.24 175.14 3gbo s LEU 51 N -1.64 4.15 0.13 2.42 2.96 -1.26 -0.60 118.68 124.85 3gbo s LEU 51 Ca 0.11 -0.50 -0.14 0.00 -0.22 0.00 0.00 54.13 53.38 3gbo s LEU 51 Cb -0.10 -2.73 -0.02 0.00 0.50 0.00 0.00 46.19 43.85 3gbo s LEU 51 CO 0.04 -1.28 1.56 0.00 -1.32 0.00 0.00 176.35 175.35 3gbo h ALA 52 N 9.38 0.57 -1.88 5.97 0.00 -0.56 -3.46 119.26 129.28 3gbo h ALA 52 Ca -0.27 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 3gbo h ALA 52 Cb 1.07 -0.15 -0.21 0.00 0.00 0.00 0.00 17.79 18.50 3gbo h ALA 52 CO 1.11 0.39 0.28 1.21 0.00 0.00 0.00 179.25 182.24 3gbo s ASN 53 N -6.31 -0.60 -0.29 0.00 2.47 -1.21 -5.04 114.94 103.96 3gbo s ASN 53 Ca -0.13 0.79 -0.07 0.00 0.42 0.00 0.00 52.86 53.87 3gbo s ASN 53 Cb 0.10 0.68 -0.00 0.00 -1.45 0.00 0.00 41.25 40.58 3gbo s ASN 53 CO 0.81 -0.46 0.09 -0.22 -3.72 0.00 0.00 177.10 173.60 3gbo s LEU 54 N -0.79 3.78 -0.19 3.21 2.96 -1.26 -2.36 118.68 124.03 3gbo s LEU 54 Ca -0.06 -0.56 -0.09 0.00 -0.22 0.00 0.00 54.13 53.20 3gbo s LEU 54 Cb -0.01 -1.91 -0.05 0.00 0.50 0.00 0.00 46.19 44.72 3gbo s LEU 54 CO 0.05 -0.15 0.11 -0.70 -1.32 0.00 0.00 176.35 174.34 3gbo s GLU 55 N 1.55 4.10 -0.11 1.98 2.12 0.35 -4.99 118.70 123.70 3gbo s GLU 55 Ca 0.04 -0.26 0.03 0.00 0.36 0.00 0.00 54.97 55.14 3gbo s GLU 55 Cb -0.17 -3.35 0.01 0.00 0.26 0.00 0.00 34.13 30.88 3gbo s GLU 55 CO 0.03 0.30 -0.22 0.08 -0.54 0.00 0.00 175.26 174.92 3gbo s VAL 56 N 0.32 1.94 -1.38 3.70 1.01 -1.26 -0.34 120.40 124.40 3gbo s VAL 56 Ca 0.07 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 61.01 3gbo s VAL 56 Cb -0.11 -1.70 0.10 0.00 0.00 0.00 0.00 36.38 34.67 3gbo s VAL 56 CO -0.01 0.53 2.16 0.79 0.00 0.00 0.00 175.10 178.56 3gbo n TRP 57 N 3.78 3.03 1.76 5.22 8.01 -0.31 -4.73 117.44 134.21 3gbo n TRP 57 Ca -0.20 -2.88 0.15 0.00 -1.31 0.00 0.00 57.50 53.27 3gbo n TRP 57 Cb 0.52 -2.18 0.85 0.00 -2.01 0.00 0.00 31.31 28.49 3gbo n TRP 57 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 3gbo n SER 58 N 4.31 0.08 -0.10 -0.99 3.41 -1.26 -3.55 113.62 115.51 3gbo n SER 58 Ca 0.50 -0.71 -0.16 0.00 -0.26 0.00 0.00 58.87 58.23 3gbo n SER 58 Cb 0.35 -0.10 -0.06 0.00 -0.26 0.00 0.00 64.21 64.14 3gbo n SER 58 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3gbo n LYS 59 N -1.05 0.54 -3.52 4.33 5.02 -1.26 -5.07 118.16 117.15 3gbo n LYS 59 Ca 0.20 0.30 -0.08 0.00 -2.02 0.00 0.00 58.31 56.71 3gbo n LYS 59 Cb 0.17 -1.51 -0.03 0.00 -0.02 0.00 0.00 35.03 33.64 3gbo n LYS 59 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3gbo s LYS 60 N -2.64 0.73 0.41 1.97 -2.85 -1.24 -5.09 119.74 111.03 3gbo s LYS 60 Ca -0.30 -0.21 -0.27 0.00 -1.00 0.00 0.00 55.97 54.19 3gbo s LYS 60 Cb 0.07 0.34 -0.10 0.00 -2.06 0.00 0.00 37.83 36.08 3gbo s LYS 60 CO 0.44 -0.31 1.44 -0.25 0.10 0.00 0.00 175.35 176.76 3gbo n ASP 61 N -0.07 3.44 -0.30 0.03 8.00 -1.26 -4.84 116.55 121.54 3gbo n ASP 61 Ca -0.08 1.17 0.11 0.00 0.71 0.00 0.00 54.79 56.71 3gbo n ASP 61 Cb 0.61 -1.60 0.10 0.00 -0.02 0.00 0.00 41.12 40.22 3gbo n ASP 61 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3gbo n LEU 62 N 0.19 1.45 -4.40 0.64 4.77 -1.26 -4.86 117.00 113.54 3gbo n LEU 62 Ca 0.03 -0.51 -0.20 0.00 -0.03 0.00 0.00 56.01 55.30 3gbo n LEU 62 Cb 0.40 -0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.33 3gbo n LEU 62 CO 0.62 0.28 -0.27 0.27 -1.33 0.00 0.00 177.39 176.96 3gbo s ILE 63 N -2.62 1.02 -0.38 -0.08 -4.36 -1.26 -5.06 121.20 108.46 3gbo s ILE 63 Ca 0.18 -2.01 -0.25 0.00 -0.26 0.00 0.00 60.65 58.31 3gbo s ILE 63 Cb 0.18 -2.71 0.02 0.00 1.25 0.00 0.00 42.46 41.20 3gbo s ILE 63 CO 0.62 -0.04 0.90 0.21 0.24 0.00 0.00 174.94 176.87 3gbo s ASN 64 N -3.42 6.63 -0.52 4.36 2.47 -1.26 -4.99 114.94 118.20 3gbo s ASN 64 Ca 0.36 0.47 -0.25 0.00 0.42 0.00 0.00 52.86 53.86 3gbo s ASN 64 Cb 0.08 -2.45 0.03 0.00 -1.45 0.00 0.00 41.25 37.47 3gbo s ASN 64 CO 0.14 -0.86 0.95 -0.69 -3.72 0.00 0.00 177.10 172.92 3gbo s VAL 65 N 3.45 4.40 0.20 -5.21 1.01 -1.26 -4.75 120.40 118.24 3gbo s VAL 65 Ca 0.37 0.49 0.08 0.00 0.00 0.00 0.00 61.98 62.92 3gbo s VAL 65 Cb -0.12 -4.51 -0.04 0.00 0.00 0.00 0.00 36.38 31.71 3gbo s VAL 65 CO 0.20 -1.02 0.03 -1.10 0.00 0.00 0.00 175.10 173.21 3gbo s GLN 66 N 3.93 2.47 0.54 2.72 -0.21 -1.26 -5.02 119.66 122.83 3gbo s GLN 66 Ca 0.34 -1.15 0.22 0.00 0.02 0.00 0.00 55.36 54.79 3gbo s GLN 66 Cb -0.11 -2.36 1.47 0.00 1.00 0.00 0.00 33.01 33.01 3gbo s GLN 66 CO 0.22 0.43 2.16 0.87 -2.12 0.00 0.00 175.29 176.86 3gbo h LYS 67 N 2.37 0.00 -6.22 2.91 1.57 -1.96 -3.38 116.57 111.86 3gbo h LYS 67 Ca -0.47 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.79 3gbo h LYS 67 Cb 1.22 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.46 3gbo h LYS 67 CO 0.59 0.04 1.16 0.34 -0.57 0.00 0.00 179.45 181.01 3gbo s ASP 68 N -6.60 5.91 0.36 0.86 -1.08 -1.26 -0.15 116.67 114.71 3gbo s ASP 68 Ca -0.05 -0.30 0.07 0.00 -0.52 0.00 0.00 52.55 51.75 3gbo s ASP 68 Cb 0.16 -2.55 0.78 0.00 -1.46 0.00 0.00 42.92 39.84 3gbo s ASP 68 CO 0.62 -1.99 1.92 0.77 0.52 0.00 0.00 175.17 177.01 3gbo h SER 69 N 11.40 0.66 -0.65 -0.34 4.64 -1.89 -0.77 113.55 126.59 3gbo h SER 69 Ca -0.23 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.09 3gbo h SER 69 Cb 1.08 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 63.02 3gbo h SER 69 CO 1.27 0.39 0.35 -0.09 -0.87 0.00 0.00 176.83 177.88 3gbo h ARG 70 N 0.73 0.92 -0.32 4.77 2.43 -1.93 -0.04 114.38 120.93 3gbo h ARG 70 Ca 0.37 -0.11 -0.14 0.00 -0.81 0.00 0.00 59.98 59.29 3gbo h ARG 70 Cb 0.46 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3gbo h ARG 70 CO -0.14 0.70 -0.35 0.93 -1.51 0.00 0.00 179.97 179.59 3gbo h GLU 71 N 0.89 0.72 -0.28 0.20 4.39 -1.55 -1.85 114.58 117.10 3gbo h GLU 71 Ca 0.23 -0.35 -0.14 0.00 0.34 0.00 0.00 59.36 59.44 3gbo h GLU 71 Cb 0.05 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3gbo h GLU 71 CO -0.04 0.96 -0.36 1.15 -1.16 0.00 0.00 179.01 179.56 3gbo h THR 72 N 0.60 1.30 -0.25 1.13 2.02 -1.18 0.73 112.91 117.25 3gbo h THR 72 Ca 0.06 -1.55 0.03 0.00 0.77 0.00 0.00 66.41 65.72 3gbo h THR 72 Cb 0.88 1.62 -0.03 0.00 -1.74 0.00 0.00 68.15 68.89 3gbo h THR 72 CO 0.08 0.50 0.08 0.25 0.37 0.00 0.00 175.52 176.79 3gbo h LEU 73 N 0.49 0.07 -0.41 2.58 5.85 -0.92 1.00 115.31 123.98 3gbo h LEU 73 Ca 0.03 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 3gbo h LEU 73 Cb 0.95 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 3gbo h LEU 73 CO 0.09 0.07 0.11 0.11 -0.34 0.00 0.00 178.44 178.48 3gbo h LYS 74 N 0.18 0.64 -0.95 1.25 1.57 -1.00 -1.24 116.57 117.03 3gbo h LYS 74 Ca 0.11 -0.15 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3gbo h LYS 74 Cb 0.09 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.26 3gbo h LYS 74 CO -0.12 0.65 0.62 0.77 -0.57 0.00 0.00 179.45 180.80 3gbo h SER 75 N 0.51 1.04 -0.33 0.86 0.02 -0.68 -1.33 113.55 113.64 3gbo h SER 75 Ca 0.13 -0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.91 3gbo h SER 75 Cb 0.29 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 3gbo h SER 75 CO -0.00 0.71 -0.39 0.15 -1.14 0.00 0.00 176.83 176.16 3gbo h PHE 76 N 1.21 1.04 -0.58 3.45 3.57 -0.40 -0.82 116.94 124.40 3gbo h PHE 76 Ca 0.38 -0.33 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 3gbo h PHE 76 Cb -0.01 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.50 3gbo h PHE 76 CO -0.01 1.13 0.21 0.78 -2.23 0.00 0.00 178.31 178.20 3gbo h GLY 77 N 0.64 0.94 1.00 2.40 0.00 -1.00 0.12 103.07 107.17 3gbo h GLY 77 Ca 0.05 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 3gbo h GLY 77 CO 0.09 0.50 0.26 0.83 0.00 0.00 0.00 176.54 178.23 3gbo h GLU 78 N 0.80 0.90 -0.68 4.80 5.08 -1.12 -1.66 114.58 122.70 3gbo h GLU 78 Ca 0.19 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 3gbo h GLU 78 Cb 0.24 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3gbo h GLU 78 CO -0.01 0.75 0.19 2.35 -1.00 0.00 0.00 179.01 181.29 3gbo h TRP 79 N 0.85 1.11 -0.57 4.33 7.01 -1.02 -1.34 115.95 126.32 3gbo h TRP 79 Ca 0.21 -0.12 -0.01 0.00 2.11 0.00 0.00 58.89 61.08 3gbo h TRP 79 Cb 0.17 -0.32 -0.03 0.00 -2.10 0.00 0.00 29.16 26.89 3gbo h TRP 79 CO 0.01 0.89 0.32 -0.09 -2.79 0.00 0.00 178.44 176.78 3gbo h ARG 80 N 1.02 0.78 -0.47 2.65 2.43 -0.44 0.16 114.38 120.51 3gbo h ARG 80 Ca 0.22 -0.09 -0.07 0.00 -0.81 0.00 0.00 59.98 59.23 3gbo h ARG 80 Cb 0.33 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 3gbo h ARG 80 CO -0.00 0.59 0.01 1.49 -1.51 0.00 0.00 179.97 180.54 3gbo h GLU 81 N 0.76 0.82 0.15 0.20 4.81 -1.14 0.52 114.58 120.70 3gbo h GLU 81 Ca 0.20 -0.26 -0.34 0.00 -0.13 0.00 0.00 59.36 58.83 3gbo h GLU 81 Cb 0.03 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.33 3gbo h GLU 81 CO -0.03 0.87 -1.72 -0.09 -0.73 0.00 0.00 179.01 177.30 3gbo h ARG 82 N 0.67 0.31 0.00 1.92 2.43 -1.02 -3.41 114.38 115.29 3gbo h ARG 82 Ca 0.13 -0.53 -0.01 0.00 -0.81 0.00 0.00 59.98 58.76 3gbo h ARG 82 Cb 0.49 0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 30.24 3gbo h ARG 82 CO 0.02 1.20 -1.05 -3.47 -1.51 0.00 0.00 179.97 175.16 3gbo n ASP 83 N -3.50 3.94 -0.07 -3.80 2.03 0.51 -4.70 116.55 110.95 3gbo n ASP 83 Ca -0.23 -0.01 -0.16 0.00 0.52 0.00 0.00 54.79 54.91 3gbo n ASP 83 Cb 1.06 -0.01 -0.13 0.00 -0.72 0.00 0.00 41.12 41.33 3gbo n ASP 83 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 3gbo h LEU 84 N 0.00 0.03 -1.03 -2.67 5.85 -1.07 -3.26 115.31 113.16 3gbo h LEU 84 Ca -0.02 -0.88 -0.02 0.00 0.84 0.00 0.00 57.88 57.79 3gbo h LEU 84 Cb 1.03 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.02 3gbo h LEU 84 CO -0.00 1.14 0.39 0.25 -0.34 0.00 0.00 178.44 179.88 3gbo h LEU 85 N -0.96 0.97 -2.01 2.25 5.85 -1.11 0.17 115.31 120.47 3gbo h LEU 85 Ca -0.09 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 3gbo h LEU 85 Cb 1.11 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 3gbo h LEU 85 CO -0.04 0.80 -0.07 -0.65 -0.34 0.00 0.00 178.44 178.14 3gbo h PRO 86 N 1.08 0.00 0.15 5.25 0.11 -1.78 -2.98 132.00 133.83 3gbo h PRO 86 Ca 0.27 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 66.06 3gbo h PRO 86 Cb 0.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.18 3gbo h PRO 86 CO -0.04 0.07 -1.58 0.00 -0.21 0.00 0.00 178.00 176.24 3gbo h ARG 87 N 0.00 0.33 -2.98 1.05 3.08 -1.26 -3.47 114.38 111.12 3gbo h ARG 87 Ca -0.00 -0.56 -0.21 0.00 0.07 0.00 0.00 59.98 59.29 3gbo h ARG 87 Cb 0.32 0.21 -0.31 0.00 0.08 0.00 0.00 29.97 30.27 3gbo h ARG 87 CO 0.01 1.21 -0.51 -1.50 -1.07 0.00 0.00 179.97 178.12 3gbo s ILE 88 N -2.61 -0.16 -0.05 2.04 2.07 -0.07 -5.11 121.20 117.31 3gbo s ILE 88 Ca -0.11 0.20 -0.30 0.00 -1.41 0.00 0.00 60.65 59.03 3gbo s ILE 88 Cb 0.06 -0.39 -0.04 0.00 0.13 0.00 0.00 42.46 42.22 3gbo s ILE 88 CO 0.86 0.08 1.32 -0.55 -1.91 0.00 0.00 174.94 174.75 3gbo s SER 89 N 1.64 6.93 0.19 4.50 0.15 -1.26 -4.41 113.70 121.44 3gbo s SER 89 Ca -0.06 1.94 -0.24 0.00 0.70 0.00 0.00 55.95 58.29 3gbo s SER 89 Cb -0.11 -2.55 0.06 0.00 -1.71 0.00 0.00 66.02 61.70 3gbo s SER 89 CO -0.08 -0.69 0.92 -1.38 1.20 0.00 0.00 173.24 173.21 3gbo s HIS 90 N 2.65 -0.10 -0.05 3.44 -0.00 -1.26 -5.02 115.29 114.95 3gbo s HIS 90 Ca 0.60 -0.26 0.17 0.00 -0.00 0.00 0.00 55.06 55.57 3gbo s HIS 90 Cb -0.27 0.67 -0.25 0.00 -0.00 0.00 0.00 32.58 32.72 3gbo s HIS 90 CO 0.23 -0.94 0.32 -0.25 -0.00 0.00 0.00 174.74 174.09 3gbo n ASP 91 N -0.61 1.06 -3.63 7.38 8.00 0.38 -5.00 116.55 124.14 3gbo n ASP 91 Ca -0.05 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.33 3gbo n ASP 91 Cb 0.60 1.62 -0.07 0.00 -0.02 0.00 0.00 41.12 43.25 3gbo n ASP 91 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3gbo s ASN 92 N -4.17 -0.63 0.00 -2.24 3.84 -1.17 -3.45 114.94 107.12 3gbo s ASN 92 Ca -0.07 1.21 0.06 0.00 0.21 0.00 0.00 52.86 54.28 3gbo s ASN 92 Cb 0.10 1.23 -0.02 0.00 -0.55 0.00 0.00 41.25 42.01 3gbo s ASN 92 CO 0.70 -0.21 -0.20 0.00 -2.79 0.00 0.00 177.10 174.61 3gbo s ALA 93 N 0.36 1.67 -0.10 1.71 0.00 -0.77 -1.16 121.76 123.46 3gbo s ALA 93 Ca 0.01 -0.91 0.03 0.00 0.00 0.00 0.00 51.96 51.09 3gbo s ALA 93 Cb -0.05 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.69 3gbo s ALA 93 CO -0.03 0.40 -0.21 -0.65 0.00 0.00 0.00 175.76 175.28 3gbo s GLN 94 N -0.69 2.72 -0.09 0.00 -1.52 -0.34 -2.11 119.66 117.62 3gbo s GLN 94 Ca 0.07 -0.76 -0.24 0.00 -1.95 0.00 0.00 55.36 52.49 3gbo s GLN 94 Cb -0.08 -2.13 -0.03 0.00 -0.22 0.00 0.00 33.01 30.55 3gbo s GLN 94 CO 0.00 0.09 0.72 -1.17 -0.25 0.00 0.00 175.29 174.68 3gbo s LEU 95 N 0.56 4.28 -0.19 2.90 2.96 -0.43 -0.73 118.68 128.03 3gbo s LEU 95 Ca -0.14 1.17 -0.05 0.00 -0.22 0.00 0.00 54.13 54.88 3gbo s LEU 95 Cb -0.17 -3.10 -0.03 0.00 0.50 0.00 0.00 46.19 43.39 3gbo s LEU 95 CO 0.05 -0.18 0.00 -0.22 -1.32 0.00 0.00 176.35 174.68 3gbo s LEU 96 N 1.14 3.36 0.13 -0.68 2.96 0.15 -0.27 118.68 125.47 3gbo s LEU 96 Ca 0.37 -0.13 0.04 0.00 -0.22 0.00 0.00 54.13 54.19 3gbo s LEU 96 Cb -0.17 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 3gbo s LEU 96 CO 0.17 0.11 -0.10 0.28 -1.32 0.00 0.00 176.35 175.49 3gbo s THR 97 N 0.74 1.06 -2.28 3.68 -1.32 -0.48 -2.16 115.64 114.86 3gbo s THR 97 Ca 0.00 -1.91 0.24 0.00 -1.21 0.00 0.00 61.69 58.81 3gbo s THR 97 Cb -0.14 -1.67 0.13 0.00 -1.51 0.00 0.00 72.50 69.30 3gbo s THR 97 CO 0.02 -0.69 1.26 0.35 -2.21 0.00 0.00 174.62 173.34 3gbo n THR 98 N 0.08 0.00 -1.99 5.08 -2.24 -1.26 -1.56 114.28 112.38 3gbo n THR 98 Ca -0.12 -0.30 -0.36 0.00 -2.27 0.00 0.00 64.05 60.99 3gbo n THR 98 Cb 0.60 1.13 0.03 0.00 -2.10 0.00 0.00 70.33 69.99 3gbo n THR 98 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3gbo s ILE 99 N -2.32 2.56 -0.30 2.28 1.09 -1.26 -4.97 121.20 118.29 3gbo s ILE 99 Ca 0.23 0.37 -0.09 0.00 -1.10 0.00 0.00 60.65 60.06 3gbo s ILE 99 Cb 0.19 -3.16 -0.01 0.00 -1.06 0.00 0.00 42.46 38.42 3gbo s ILE 99 CO 0.48 -0.06 0.13 -0.69 -0.10 0.00 0.00 174.94 174.70 3gbo s VAL 100 N -1.54 4.55 0.67 2.92 1.01 -1.26 -4.85 120.40 121.90 3gbo s VAL 100 Ca 0.76 -0.36 -0.12 0.00 0.00 0.00 0.00 61.98 62.26 3gbo s VAL 100 Cb -0.32 -3.27 -0.00 0.00 0.00 0.00 0.00 36.38 32.78 3gbo s VAL 100 CO 0.35 0.13 1.06 -0.36 0.00 0.00 0.00 175.10 176.29 3gbo s PHE 101 N 1.61 3.02 0.88 5.22 0.08 -1.26 -4.75 117.98 122.78 3gbo s PHE 101 Ca 0.05 1.46 -0.11 0.00 0.12 0.00 0.00 56.93 58.45 3gbo s PHE 101 Cb -0.17 -2.94 0.12 0.00 -0.57 0.00 0.00 43.02 39.47 3gbo s PHE 101 CO 0.06 -1.25 1.15 -0.51 -0.10 0.00 0.00 175.22 174.57 3gbo s ASP 102 N -3.42 3.21 -1.65 1.36 1.01 0.79 -4.02 116.67 113.95 3gbo s ASP 102 Ca 0.60 2.20 0.00 0.00 0.71 0.00 0.00 52.55 56.06 3gbo s ASP 102 Cb -0.15 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.21 3gbo s ASP 102 CO 0.49 -2.91 0.00 0.61 0.21 0.00 0.00 175.17 173.57 3gbo n GLY 103 N 0.14 1.46 2.47 0.21 0.00 -1.26 -2.55 105.19 105.67 3gbo n GLY 103 Ca 0.12 -0.27 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 3gbo n GLY 103 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3gbo n HIS 104 N -2.65 -0.58 -2.58 1.61 8.25 -1.26 -4.96 115.22 113.06 3gbo n HIS 104 Ca -0.16 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.88 3gbo n HIS 104 Cb 0.53 -3.69 -0.03 0.00 1.12 0.00 0.00 29.99 27.92 3gbo n HIS 104 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3gbo s VAL 105 N -2.88 4.41 -0.19 1.59 1.01 -1.06 -4.91 120.40 118.37 3gbo s VAL 105 Ca 0.00 1.78 0.03 0.00 0.00 0.00 0.00 61.98 63.79 3gbo s VAL 105 Cb 0.00 -4.14 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 3gbo s VAL 105 CO 0.00 0.17 0.25 2.30 0.00 0.00 0.00 175.10 177.82 3gbo n ILE 106 N 3.65 0.00 -3.48 2.22 -5.35 -1.26 -4.17 119.36 110.97 3gbo n ILE 106 Ca 0.06 -0.46 -0.10 0.00 -0.27 0.00 0.00 62.75 61.99 3gbo n ILE 106 Cb 0.49 1.02 -0.02 0.00 -1.74 0.00 0.00 39.64 39.38 3gbo n ILE 106 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3gbo s GLY 107 N -0.94 -0.52 0.04 3.28 0.00 -1.26 0.19 107.32 108.11 3gbo s GLY 107 Ca 0.02 0.68 -0.26 0.00 0.00 0.00 0.00 44.72 45.16 3gbo s GLY 107 CO 0.08 0.22 0.61 -1.60 0.00 0.00 0.00 173.10 172.41 3gbo s ARG 108 N -3.46 1.12 0.20 2.90 3.52 -0.45 -4.98 118.95 117.79 3gbo s ARG 108 Ca 0.03 -0.10 -0.21 0.00 -0.13 0.00 0.00 55.73 55.32 3gbo s ARG 108 Cb -0.01 0.52 0.05 0.00 -1.56 0.00 0.00 34.95 33.94 3gbo s ARG 108 CO -0.10 -0.41 0.62 0.00 -0.81 0.00 0.00 175.30 174.60 3gbo s ALA 109 N -2.31 -1.37 -0.29 6.12 0.00 -1.26 -0.54 121.76 122.10 3gbo s ALA 109 Ca -0.06 0.13 -0.23 0.00 0.00 0.00 0.00 51.96 51.80 3gbo s ALA 109 Cb -0.01 0.87 -0.00 0.00 0.00 0.00 0.00 23.12 23.98 3gbo s ALA 109 CO -0.00 -0.85 0.75 -0.06 0.00 0.00 0.00 175.76 175.59 3gbo s PHE 110 N -3.82 3.22 0.05 0.00 0.08 -1.21 -4.94 117.98 111.36 3gbo s PHE 110 Ca 0.05 0.80 -0.31 0.00 0.12 0.00 0.00 56.93 57.60 3gbo s PHE 110 Cb -0.02 -3.12 -0.07 0.00 -0.57 0.00 0.00 43.02 39.23 3gbo s PHE 110 CO -0.05 -0.51 1.52 0.99 -0.10 0.00 0.00 175.22 177.07 3gbo s THR 111 N 2.83 3.31 -0.37 0.64 2.01 -1.26 -1.73 115.64 121.08 3gbo s THR 111 Ca 0.31 0.78 0.00 0.00 0.31 0.00 0.00 61.69 63.08 3gbo s THR 111 Cb -0.15 -3.50 0.00 0.00 0.01 0.00 0.00 72.50 68.86 3gbo s THR 111 CO 0.11 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.66 3gbo n GLY 112 N 3.78 0.61 0.00 4.40 0.00 0.83 -4.89 105.19 109.92 3gbo n GLY 112 Ca 0.14 -0.31 0.14 0.00 0.00 0.00 0.00 46.02 45.99 3gbo n GLY 112 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gbo n GLY 113 N -1.74 -1.12 3.56 -0.02 0.00 -0.71 -4.88 105.19 100.28 3gbo n GLY 113 Ca -0.03 -0.14 -0.50 0.00 0.00 0.00 0.00 46.02 45.35 3gbo n GLY 113 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3gbo n MET 114 N -1.23 0.99 0.00 1.61 1.56 -0.57 -1.43 117.12 118.06 3gbo n MET 114 Ca 0.15 0.35 0.00 0.00 -0.27 0.00 0.00 57.70 57.93 3gbo n MET 114 Cb 0.19 -1.84 0.00 0.00 2.15 0.00 0.00 33.22 33.73 3gbo n MET 114 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3gbo s ASP 116 N -1.16 6.74 0.22 0.00 2.15 -0.51 -4.90 116.67 119.20 3gbo s ASP 116 Ca 0.00 2.65 -0.08 0.00 0.43 0.00 0.00 52.55 55.55 3gbo s ASP 116 Cb 0.00 -2.64 0.27 0.00 -0.30 0.00 0.00 42.92 40.25 3gbo s ASP 116 CO 0.00 -0.60 1.82 -0.65 -0.17 0.00 0.00 175.17 175.58 3gbo h PRO 117 N 4.18 0.76 0.00 4.34 0.11 -1.95 -1.69 132.00 137.75 3gbo h PRO 117 Ca -0.47 -0.05 -0.28 0.00 0.11 0.00 0.00 66.00 65.31 3gbo h PRO 117 Cb 1.22 -0.17 -0.05 0.00 0.11 0.00 0.00 31.00 32.11 3gbo h PRO 117 CO 0.71 0.51 -1.64 -0.09 -0.21 0.00 0.00 178.00 177.28 3gbo h ARG 118 N 0.79 0.00 -0.02 1.05 2.43 -1.91 -3.26 114.38 113.45 3gbo h ARG 118 Ca 0.32 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 3gbo h ARG 118 Cb 0.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3gbo h ARG 118 CO -0.17 0.53 -0.03 0.72 -1.51 0.00 0.00 179.97 179.50 3gbo n HIS 119 N -3.07 0.00 -2.26 2.20 8.25 -1.14 -4.30 115.22 114.90 3gbo n HIS 119 Ca -0.15 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.89 3gbo n HIS 119 Cb 1.04 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.15 3gbo n HIS 119 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3gbo n SER 120 N 0.75 5.70 -3.76 0.41 2.88 -0.65 -4.25 113.62 114.70 3gbo n SER 120 Ca 0.09 -3.12 -0.11 0.00 -1.33 0.00 0.00 58.87 54.40 3gbo n SER 120 Cb 0.37 -1.45 -0.07 0.00 -0.75 0.00 0.00 64.21 62.31 3gbo n SER 120 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3gbo s VAL 121 N 0.06 0.10 0.09 2.46 -7.23 -1.26 -1.85 120.40 112.78 3gbo s VAL 121 Ca 0.42 -0.80 -0.01 0.00 -1.81 0.00 0.00 61.98 59.78 3gbo s VAL 121 Cb 0.11 -1.09 -0.04 0.00 0.56 0.00 0.00 36.38 35.93 3gbo s VAL 121 CO -0.01 -0.44 0.02 -0.83 -0.31 0.00 0.00 175.10 173.52 3gbo s GLY 122 N -2.42 0.70 0.04 2.32 0.00 -0.90 -3.30 107.32 103.76 3gbo s GLY 122 Ca -0.01 -1.31 0.06 0.00 0.00 0.00 0.00 44.72 43.47 3gbo s GLY 122 CO -0.07 -1.32 -0.18 -1.34 0.00 0.00 0.00 173.10 170.18 3gbo s VAL 123 N -3.98 1.48 -0.04 1.40 -7.23 0.30 -1.32 120.40 111.00 3gbo s VAL 123 Ca 0.15 -1.13 -0.01 0.00 -1.81 0.00 0.00 61.98 59.17 3gbo s VAL 123 Cb 0.08 -1.30 0.03 0.00 0.56 0.00 0.00 36.38 35.75 3gbo s VAL 123 CO -0.04 0.14 0.08 -0.69 -0.31 0.00 0.00 175.10 174.28 3gbo s VAL 124 N -0.82 -0.08 0.29 1.32 1.01 0.63 -1.33 120.40 121.42 3gbo s VAL 124 Ca 0.05 0.24 -0.29 0.00 0.00 0.00 0.00 61.98 61.99 3gbo s VAL 124 Cb -0.08 -0.16 -0.09 0.00 0.00 0.00 0.00 36.38 36.04 3gbo s VAL 124 CO 0.02 0.10 1.04 -0.04 0.00 0.00 0.00 175.10 176.21 3gbo s MET 125 N 1.34 4.63 -1.32 2.72 -1.94 0.13 -1.38 119.30 123.48 3gbo s MET 125 Ca -0.06 1.65 -0.13 0.00 -1.71 0.00 0.00 55.69 55.43 3gbo s MET 125 Cb -0.12 -3.10 0.11 0.00 2.01 0.00 0.00 34.83 33.73 3gbo s MET 125 CO -0.04 0.25 1.84 -3.47 -0.01 0.00 0.00 175.02 173.60 3gbo n ASP 126 N 1.06 4.76 -0.60 3.03 2.03 -0.60 -4.72 116.55 121.51 3gbo n ASP 126 Ca -0.00 -2.97 0.12 0.00 0.52 0.00 0.00 54.79 52.46 3gbo n ASP 126 Cb 0.46 -1.61 0.10 0.00 -0.72 0.00 0.00 41.12 39.36 3gbo n ASP 126 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3gbo n HIS 127 N 5.86 0.00 -4.08 -0.67 1.44 -1.26 -4.88 115.22 111.63 3gbo n HIS 127 Ca 0.44 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 56.02 3gbo n HIS 127 Cb 0.41 -0.01 -0.12 0.00 0.12 0.00 0.00 29.99 30.38 3gbo n HIS 127 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 3gbo s SER 128 N -2.32 0.88 0.00 4.39 0.15 -1.26 -5.01 113.70 110.54 3gbo s SER 128 Ca 0.23 -0.51 0.28 0.00 0.70 0.00 0.00 55.95 56.65 3gbo s SER 128 Cb 0.19 0.02 1.25 0.00 -1.71 0.00 0.00 66.02 65.78 3gbo s SER 128 CO 0.48 -0.17 1.92 -0.81 1.20 0.00 0.00 173.24 175.85 3gbo n PRO 129 N 1.59 0.11 -3.08 5.44 -0.04 -1.26 -4.66 135.00 133.09 3gbo n PRO 129 Ca -0.22 0.02 -0.42 0.00 -0.04 0.00 0.00 63.50 62.85 3gbo n PRO 129 Cb 0.55 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.45 3gbo n PRO 129 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3gbo s LYS 130 N -2.89 3.76 0.28 0.54 1.02 -1.26 -4.96 119.74 116.24 3gbo s LYS 130 Ca 0.17 0.18 0.02 0.00 0.02 0.00 0.00 55.97 56.36 3gbo s LYS 130 Cb 0.18 -3.78 0.59 0.00 -0.52 0.00 0.00 37.83 34.30 3gbo s LYS 130 CO 0.49 -0.70 1.80 -0.97 -0.92 0.00 0.00 175.35 175.04 3gbo h ASN 131 N 8.37 0.77 -0.76 2.83 -0.73 -1.98 -1.77 115.58 122.31 3gbo h ASN 131 Ca -0.26 0.07 0.09 0.00 1.87 0.00 0.00 56.30 58.07 3gbo h ASN 131 Cb 1.11 -0.07 -0.05 0.00 0.27 0.00 0.00 38.32 39.58 3gbo h ASN 131 CO 0.84 0.35 0.50 0.25 -0.37 0.00 0.00 177.43 178.99 3gbo h LEU 132 N 0.82 0.62 -0.49 0.34 5.85 -1.96 0.10 115.31 120.59 3gbo h LEU 132 Ca 0.51 0.01 -0.17 0.00 0.84 0.00 0.00 57.88 59.07 3gbo h LEU 132 Cb 0.65 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 3gbo h LEU 132 CO -0.32 0.38 -0.67 1.56 -0.34 0.00 0.00 178.44 179.04 3gbo h GLN 133 N 0.69 0.36 -0.21 1.25 1.08 -1.69 -0.65 115.11 115.94 3gbo h GLN 133 Ca 0.35 -0.27 -0.13 0.00 -1.45 0.00 0.00 58.65 57.14 3gbo h GLN 133 Cb 0.43 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 3gbo h GLN 133 CO -0.13 0.90 -0.38 0.28 -0.95 0.00 0.00 178.83 178.56 3gbo h VAL 134 N 0.26 1.32 -0.66 -0.54 2.07 -1.24 -2.66 116.25 114.80 3gbo h VAL 134 Ca -0.02 -1.60 0.11 0.00 0.82 0.00 0.00 66.70 66.02 3gbo h VAL 134 Cb 1.22 1.82 -0.08 0.00 -1.52 0.00 0.00 31.29 32.73 3gbo h VAL 134 CO 0.11 0.50 0.24 0.00 0.02 0.00 0.00 177.57 178.43 3gbo h ALA 135 N 0.61 0.86 -0.74 1.67 0.00 -0.66 -0.87 119.26 120.13 3gbo h ALA 135 Ca 0.01 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3gbo h ALA 135 Cb 0.97 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 3gbo h ALA 135 CO 0.08 -0.21 0.36 0.28 0.00 0.00 0.00 179.25 179.76 3gbo h VAL 136 N 0.40 1.24 -0.34 0.00 2.07 -1.07 0.03 116.25 118.58 3gbo h VAL 136 Ca 0.34 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 3gbo h VAL 136 Cb 0.47 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3gbo h VAL 136 CO -0.35 0.28 0.21 0.74 0.02 0.00 0.00 177.57 178.47 3gbo h THR 137 N 1.04 1.11 -0.65 2.57 2.02 -1.00 -0.10 112.91 117.90 3gbo h THR 137 Ca 0.26 -0.25 -0.06 0.00 0.77 0.00 0.00 66.41 67.13 3gbo h THR 137 Cb 0.12 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 3gbo h THR 137 CO -0.03 0.11 0.18 -0.03 0.37 0.00 0.00 175.52 176.11 3gbo h MET 138 N 0.45 1.00 -0.35 6.66 -1.53 -0.97 -1.61 114.93 118.58 3gbo h MET 138 Ca 0.12 -0.21 -0.06 0.00 -3.44 0.00 0.00 59.70 56.11 3gbo h MET 138 Cb -0.00 -0.15 -0.02 0.00 -0.55 0.00 0.00 31.60 30.88 3gbo h MET 138 CO -0.02 0.88 -0.05 0.00 0.14 0.00 0.00 176.91 177.86 3gbo h ALA 139 N 1.23 1.27 -0.38 0.39 0.00 -0.64 -0.36 119.26 120.77 3gbo h ALA 139 Ca 0.21 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3gbo h ALA 139 Cb 0.31 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3gbo h ALA 139 CO -0.00 0.48 -0.01 1.25 0.00 0.00 0.00 179.25 180.97 3gbo h HIS 140 N 0.53 0.74 -0.20 0.00 6.17 -0.58 0.52 115.15 122.32 3gbo h HIS 140 Ca 0.11 -0.13 -0.16 0.00 0.71 0.00 0.00 60.37 60.90 3gbo h HIS 140 Cb 0.41 -0.19 0.00 0.00 2.52 0.00 0.00 27.41 30.16 3gbo h HIS 140 CO 0.02 0.77 -0.49 0.93 0.71 0.00 0.00 177.93 179.86 3gbo h GLU 141 N 0.49 0.69 -0.40 5.26 4.39 -0.89 -0.75 114.58 123.37 3gbo h GLU 141 Ca 0.11 -0.47 0.03 0.00 0.34 0.00 0.00 59.36 59.36 3gbo h GLU 141 Cb 0.49 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 3gbo h GLU 141 CO 0.02 1.09 0.27 1.25 -1.16 0.00 0.00 179.01 180.48 3gbo h LEU 142 N 0.39 0.38 -0.25 1.33 5.85 -1.04 -0.84 115.31 121.14 3gbo h LEU 142 Ca -0.00 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3gbo h LEU 142 Cb 1.11 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 3gbo h LEU 142 CO 0.11 0.27 0.06 1.23 -0.34 0.00 0.00 178.44 179.77 3gbo h GLY 143 N 0.45 0.42 0.56 3.75 0.00 0.04 0.05 103.07 108.34 3gbo h GLY 143 Ca 0.16 -0.26 0.07 0.00 0.00 0.00 0.00 47.33 47.30 3gbo h GLY 143 CO -0.04 0.25 0.25 0.45 0.00 0.00 0.00 176.54 177.44 3gbo h HIS 144 N 0.22 0.44 -0.29 5.60 3.86 -0.81 -0.44 115.15 123.73 3gbo h HIS 144 Ca 0.08 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 3gbo h HIS 144 Cb 0.27 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 3gbo h HIS 144 CO 0.01 0.17 0.19 -0.91 0.86 0.00 0.00 177.93 178.25 3gbo h ASN 145 N 0.46 0.33 -0.13 2.45 -0.26 -0.48 0.29 115.58 118.24 3gbo h ASN 145 Ca 0.27 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 56.00 3gbo h ASN 145 Cb 0.26 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.43 3gbo h ASN 145 CO -0.23 0.25 0.00 0.18 -1.06 0.00 0.00 177.43 176.56 3gbo n LEU 146 N -4.49 1.82 0.00 1.61 4.77 -0.06 -1.51 117.00 119.15 3gbo n LEU 146 Ca 0.01 -0.92 0.00 0.00 -0.03 0.00 0.00 56.01 55.07 3gbo n LEU 146 Cb 0.07 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 3gbo n LEU 146 CO 0.35 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 3gbo n GLY 147 N 0.25 0.78 3.86 -0.72 0.00 -0.12 -4.48 105.19 104.76 3gbo n GLY 147 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 3gbo n GLY 147 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3gbo s MET 148 N -0.57 3.90 0.20 1.61 -1.94 -0.30 -4.67 119.30 117.53 3gbo s MET 148 Ca 0.00 0.46 0.00 0.00 -1.71 0.00 0.00 55.69 54.44 3gbo s MET 148 Cb 0.00 -2.56 0.00 0.00 2.01 0.00 0.00 34.83 34.28 3gbo s MET 148 CO 0.00 0.25 0.03 -2.39 -0.01 0.00 0.00 175.02 172.90 3gbo n HIS 149 N -0.20 0.16 -2.44 -0.03 1.44 -1.26 -4.06 115.22 108.84 3gbo n HIS 149 Ca 0.02 -0.95 -0.37 0.00 -2.01 0.00 0.00 57.72 54.40 3gbo n HIS 149 Cb 0.53 -0.14 -0.03 0.00 0.12 0.00 0.00 29.99 30.47 3gbo n HIS 149 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 3gbo s HIS 150 N -1.58 3.21 0.24 -1.40 0.09 -1.26 -4.86 115.29 109.74 3gbo s HIS 150 Ca 0.02 1.62 -0.31 0.00 -0.00 0.00 0.00 55.06 56.39 3gbo s HIS 150 Cb -0.00 -3.24 -0.11 0.00 -0.00 0.00 0.00 32.58 29.23 3gbo s HIS 150 CO 0.01 -0.88 1.62 -0.51 -0.00 0.00 0.00 174.74 174.99 3gbo s ASP 151 N -1.36 6.42 0.75 1.40 1.01 -0.58 -5.00 116.67 119.32 3gbo s ASP 151 Ca 0.57 2.86 -0.02 0.00 0.71 0.00 0.00 52.55 56.67 3gbo s ASP 151 Cb -0.26 -2.62 0.15 0.00 1.01 0.00 0.00 42.92 41.20 3gbo s ASP 151 CO 0.33 -0.91 0.99 0.61 0.21 0.00 0.00 175.17 176.39 3gbo n GLY 152 N 3.00 0.42 0.24 0.21 0.00 -1.26 -4.74 105.19 103.06 3gbo n GLY 152 Ca 0.11 -1.99 0.13 0.00 0.00 0.00 0.00 46.02 44.27 3gbo n GLY 152 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 3gbo h ASN 153 N -0.69 0.00 -0.07 1.61 7.08 -2.05 -2.45 115.58 119.02 3gbo h ASN 153 Ca -0.33 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.89 3gbo h ASN 153 Cb 1.16 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.40 3gbo h ASN 153 CO 0.33 0.10 0.00 0.00 -2.08 0.00 0.00 177.43 175.78 3gbo n GLN 154 N -3.19 1.24 -3.30 4.14 0.00 -1.26 -4.90 117.38 110.11 3gbo n GLN 154 Ca 0.01 -0.37 -0.37 0.00 0.00 0.00 0.00 57.00 56.28 3gbo n GLN 154 Cb 0.41 -1.25 -0.06 0.00 0.00 0.00 0.00 30.24 29.35 3gbo n GLN 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3gbo s HIS 156 N -1.30 1.30 0.12 0.00 5.04 -1.26 -4.97 115.29 114.22 3gbo s HIS 156 Ca 0.34 -0.37 0.05 0.00 -1.54 0.00 0.00 55.06 53.54 3gbo s HIS 156 Cb -0.17 -0.91 -0.04 0.00 0.04 0.00 0.00 32.58 31.50 3gbo s HIS 156 CO 0.19 -0.15 -0.12 0.00 -2.34 0.00 0.00 174.74 172.32 3gbo h ASP 158 N 3.33 0.52 -3.21 0.00 3.32 -1.95 -3.47 116.42 114.96 3gbo h ASP 158 Ca -0.38 -0.32 -0.41 0.00 0.02 0.00 0.00 57.03 55.94 3gbo h ASP 158 Cb 1.19 -0.15 0.21 0.00 0.22 0.00 0.00 39.33 40.80 3gbo h ASP 158 CO 0.55 1.05 -0.03 0.00 -1.72 0.00 0.00 179.24 179.09 3gbo s ALA 159 N -3.71 -0.43 0.23 3.45 0.00 -1.26 -4.90 121.76 115.14 3gbo s ALA 159 Ca -0.06 -0.59 -0.06 0.00 0.00 0.00 0.00 51.96 51.25 3gbo s ALA 159 Cb 0.11 -3.04 0.38 0.00 0.00 0.00 0.00 23.12 20.56 3gbo s ALA 159 CO 0.84 -4.15 1.77 0.00 0.00 0.00 0.00 175.76 174.23 3gbo h ALA 160 N -2.98 1.04 -2.40 0.00 0.00 -1.90 -3.43 119.26 109.58 3gbo h ALA 160 Ca -0.51 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 3gbo h ALA 160 Cb 1.33 -0.03 -0.19 0.00 0.00 0.00 0.00 17.79 18.90 3gbo h ALA 160 CO 0.39 -0.06 -0.13 0.45 0.00 0.00 0.00 179.25 179.89 3gbo s SER 161 N -5.48 -0.31 0.12 0.00 0.15 -1.05 -5.04 113.70 102.09 3gbo s SER 161 Ca -0.12 0.19 -0.11 0.00 0.70 0.00 0.00 55.95 56.61 3gbo s SER 161 Cb 0.19 0.39 -0.06 0.00 -1.71 0.00 0.00 66.02 64.82 3gbo s SER 161 CO 0.77 -0.54 0.47 0.00 1.20 0.00 0.00 173.24 175.14 3gbo h ILE 163 N 2.70 1.22 -0.28 0.00 2.04 -1.41 -2.29 117.51 119.47 3gbo h ILE 163 Ca -0.48 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 64.68 3gbo h ILE 163 Cb 1.19 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 3gbo h ILE 163 CO 0.67 0.27 0.00 0.23 0.00 0.00 0.00 178.15 179.32 3gbo n MET 164 N -4.31 1.99 -1.59 2.37 2.81 -1.26 -4.74 117.12 112.38 3gbo n MET 164 Ca 0.05 -1.16 -0.40 0.00 -1.81 0.00 0.00 57.70 54.38 3gbo n MET 164 Cb 0.17 -1.42 0.02 0.00 -0.71 0.00 0.00 33.22 31.29 3gbo n MET 164 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3gbo n ALA 165 N 0.35 -0.01 1.33 3.04 0.00 -0.87 -1.53 120.51 122.82 3gbo n ALA 165 Ca 0.11 0.16 0.14 0.00 0.00 0.00 0.00 53.44 53.85 3gbo n ALA 165 Cb 0.38 -2.05 0.68 0.00 0.00 0.00 0.00 19.45 18.45 3gbo n ALA 165 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3gbo n ASP 166 N 0.31 0.13 -4.11 0.00 5.68 -1.26 -4.64 116.55 112.66 3gbo n ASP 166 Ca 0.10 -0.13 -0.15 0.00 -0.50 0.00 0.00 54.79 54.11 3gbo n ASP 166 Cb 0.41 -0.25 -0.12 0.00 -1.14 0.00 0.00 41.12 40.03 3gbo n ASP 166 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3gbo s SER 167 N -2.65 1.18 -0.24 -1.12 1.04 -1.26 -5.11 113.70 105.54 3gbo s SER 167 Ca 0.25 -0.59 -0.27 0.00 0.48 0.00 0.00 55.95 55.82 3gbo s SER 167 Cb 0.20 0.00 0.01 0.00 0.10 0.00 0.00 66.02 66.33 3gbo s SER 167 CO 0.49 -0.16 0.96 -0.22 0.98 0.00 0.00 173.24 175.29 3gbo s LEU 168 N -1.69 4.08 0.00 2.42 2.96 -1.26 -5.03 118.68 120.16 3gbo s LEU 168 Ca -0.06 1.23 -0.10 0.00 -0.22 0.00 0.00 54.13 54.98 3gbo s LEU 168 Cb -0.10 -3.41 -0.05 0.00 0.50 0.00 0.00 46.19 43.13 3gbo s LEU 168 CO 0.01 -0.63 0.32 -0.44 -1.32 0.00 0.00 176.35 174.29 3gbo s SER 169 N 1.28 6.60 -0.64 3.68 0.01 -1.26 -5.04 113.70 118.32 3gbo s SER 169 Ca 0.41 0.71 -0.22 0.00 1.31 0.00 0.00 55.95 58.16 3gbo s SER 169 Cb -0.15 -2.15 0.08 0.00 0.21 0.00 0.00 66.02 64.01 3gbo s SER 169 CO 0.07 0.28 0.90 -1.58 0.41 0.00 0.00 173.24 173.32 3gbo s GLN 170 N -1.49 3.09 0.00 12.44 0.74 -1.26 -4.97 119.66 128.22 3gbo s GLN 170 Ca 0.26 -0.96 0.00 0.00 0.05 0.00 0.00 55.36 54.70 3gbo s GLN 170 Cb -0.14 -4.24 0.00 0.00 1.10 0.00 0.00 33.01 29.73 3gbo s GLN 170 CO 0.14 -1.75 0.00 1.33 -0.55 0.00 0.00 175.29 174.46 3gbo n VAL 171 N 5.83 0.00 0.56 1.34 0.24 -1.26 -5.09 118.33 119.94 3gbo n VAL 171 Ca -0.05 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.30 3gbo n VAL 171 Cb 0.45 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.77 3gbo n VAL 171 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3gbo n LEU 172 N 0.00 0.85 -3.75 1.34 4.77 -1.26 -4.97 117.00 113.99 3gbo n LEU 172 Ca 0.00 -0.59 -0.13 0.00 -0.03 0.00 0.00 56.01 55.25 3gbo n LEU 172 Cb 0.00 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 3gbo n LEU 172 CO 0.00 0.19 0.04 -0.94 -1.33 0.00 0.00 177.39 175.34 3gbo s SER 173 N -1.93 -0.29 0.01 -1.43 1.04 -1.26 -5.10 113.70 104.75 3gbo s SER 173 Ca 0.07 0.42 -0.06 0.00 0.48 0.00 0.00 55.95 56.86 3gbo s SER 173 Cb 0.09 0.53 -0.01 0.00 0.10 0.00 0.00 66.02 66.74 3gbo s SER 173 CO 0.43 -0.29 0.10 -0.31 0.98 0.00 0.00 173.24 174.14 3gbo s TYR 174 N -0.57 0.12 0.19 5.02 1.51 -1.26 -2.54 117.35 119.81 3gbo s TYR 174 Ca -0.07 -0.29 -0.16 0.00 -1.01 0.00 0.00 57.07 55.54 3gbo s TYR 174 Cb -0.04 -0.09 0.02 0.00 -0.11 0.00 0.00 41.96 41.74 3gbo s TYR 174 CO 0.03 -0.29 0.48 -1.83 -1.11 0.00 0.00 175.55 172.82 3gbo s GLU 175 N -1.69 1.33 0.13 -0.62 -1.05 -1.15 -4.86 118.70 110.80 3gbo s GLU 175 Ca -0.13 -0.91 -0.30 0.00 -0.15 0.00 0.00 54.97 53.48 3gbo s GLU 175 Cb -0.07 0.49 -0.07 0.00 -0.44 0.00 0.00 34.13 34.05 3gbo s GLU 175 CO -0.00 -0.55 1.08 -0.06 0.95 0.00 0.00 175.26 176.68 3gbo s PHE 176 N -3.89 3.62 1.09 4.83 0.08 -1.26 -0.97 117.98 121.49 3gbo s PHE 176 Ca 0.10 1.60 -0.15 0.00 0.12 0.00 0.00 56.93 58.61 3gbo s PHE 176 Cb -0.00 -3.24 0.24 0.00 -0.57 0.00 0.00 43.02 39.44 3gbo s PHE 176 CO -0.03 -0.50 1.08 -1.54 -0.10 0.00 0.00 175.22 174.14 3gbo s SER 177 N 0.18 1.79 0.26 1.36 1.04 -1.26 -4.82 113.70 112.25 3gbo s SER 177 Ca 0.50 1.06 -0.05 0.00 0.48 0.00 0.00 55.95 57.94 3gbo s SER 177 Cb -0.28 -1.63 0.32 0.00 0.10 0.00 0.00 66.02 64.54 3gbo s SER 177 CO 0.32 -3.63 1.94 -2.24 0.98 0.00 0.00 173.24 170.61 3gbo h ASP 178 N -2.24 1.09 -0.20 7.02 2.03 -1.77 -1.71 116.42 120.65 3gbo h ASP 178 Ca -0.53 -0.03 0.00 0.00 -0.73 0.00 0.00 57.03 55.75 3gbo h ASP 178 Cb 1.33 -0.27 -0.01 0.00 -0.83 0.00 0.00 39.33 39.55 3gbo h ASP 178 CO 0.50 0.78 0.13 0.00 -1.03 0.00 0.00 179.24 179.62 3gbo h SER 180 N 0.26 0.77 -0.71 0.00 0.02 -1.82 0.01 113.55 112.07 3gbo h SER 180 Ca 0.08 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.98 3gbo h SER 180 Cb -0.02 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.31 3gbo h SER 180 CO -0.02 0.54 0.29 1.56 -1.14 0.00 0.00 176.83 178.05 3gbo h GLN 181 N 0.91 1.07 -0.33 3.45 4.20 -0.96 -1.40 115.11 122.04 3gbo h GLN 181 Ca 0.28 -0.19 -0.10 0.00 0.06 0.00 0.00 58.65 58.70 3gbo h GLN 181 Cb -0.03 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.56 3gbo h GLN 181 CO -0.09 0.88 -0.20 -0.91 -0.67 0.00 0.00 178.83 177.84 3gbo h ASN 182 N 1.02 0.63 -0.42 1.46 2.35 -0.50 -1.77 115.58 118.35 3gbo h ASN 182 Ca 0.24 -0.20 -0.12 0.00 -0.55 0.00 0.00 56.30 55.67 3gbo h ASN 182 Cb 0.21 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 3gbo h ASN 182 CO -0.02 0.83 -0.17 1.56 -1.65 0.00 0.00 177.43 177.97 3gbo h GLN 183 N 0.56 0.91 -0.56 0.81 4.20 -0.68 -1.53 115.11 118.81 3gbo h GLN 183 Ca 0.09 -0.35 -0.10 0.00 0.06 0.00 0.00 58.65 58.35 3gbo h GLN 183 Cb 0.65 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.36 3gbo h GLN 183 CO 0.05 1.00 -0.03 -0.92 -0.67 0.00 0.00 178.83 178.27 3gbo h TYR 184 N 0.80 1.11 -0.46 2.96 3.20 -1.04 0.24 116.97 123.78 3gbo h TYR 184 Ca 0.12 -0.20 -0.09 0.00 3.14 0.00 0.00 58.73 61.69 3gbo h TYR 184 Cb 0.72 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 3gbo h TYR 184 CO 0.04 1.00 -0.08 0.37 -1.64 0.00 0.00 178.16 177.85 3gbo h GLN 185 N 0.89 0.81 -0.54 1.82 5.75 -1.06 -0.99 115.11 121.79 3gbo h GLN 185 Ca 0.16 -0.26 -0.01 0.00 -0.15 0.00 0.00 58.65 58.39 3gbo h GLN 185 Cb 0.58 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.03 3gbo h GLN 185 CO 0.03 0.87 0.31 1.15 -2.65 0.00 0.00 178.83 178.54 3gbo h THR 186 N 0.74 1.18 -0.48 2.39 2.02 -1.00 -1.78 112.91 115.97 3gbo h THR 186 Ca 0.13 -0.43 0.01 0.00 0.77 0.00 0.00 66.41 66.89 3gbo h THR 186 Cb 0.57 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 3gbo h THR 186 CO 0.03 0.19 0.30 0.22 0.37 0.00 0.00 175.52 176.63 3gbo h TYR 187 N 0.73 0.57 -0.50 3.16 3.20 -0.47 0.29 116.97 123.94 3gbo h TYR 187 Ca 0.19 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.11 3gbo h TYR 187 Cb 0.02 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.07 3gbo h TYR 187 CO -0.02 0.34 0.29 -0.07 -1.64 0.00 0.00 178.16 177.06 3gbo h LEU 188 N 0.61 0.45 -0.37 2.82 3.38 -0.90 0.24 115.31 121.53 3gbo h LEU 188 Ca 0.18 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 3gbo h LEU 188 Cb -0.03 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3gbo h LEU 188 CO -0.06 0.31 0.04 0.74 0.09 0.00 0.00 178.44 179.56 3gbo h THR 189 N 0.56 1.25 -0.01 0.22 2.02 -1.02 -0.50 112.91 115.42 3gbo h THR 189 Ca 0.21 -0.89 -0.23 0.00 0.77 0.00 0.00 66.41 66.26 3gbo h THR 189 Cb 0.06 1.10 0.02 0.00 -1.74 0.00 0.00 68.15 67.59 3gbo h THR 189 CO -0.11 0.30 -0.90 0.11 0.37 0.00 0.00 175.52 175.29 3gbo h LYS 190 N 0.46 0.63 0.00 6.66 1.79 -0.19 -3.39 116.57 122.53 3gbo h LYS 190 Ca 0.11 -0.66 -0.17 0.00 -2.18 0.00 0.00 60.65 57.75 3gbo h LYS 190 Cb 0.39 0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 31.20 3gbo h LYS 190 CO 0.01 1.26 -1.87 0.72 -1.08 0.00 0.00 179.45 178.50 3gbo n HIS 191 N -3.96 0.00 -3.87 -1.35 8.25 0.81 -5.04 115.22 110.07 3gbo n HIS 191 Ca -0.11 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.01 3gbo n HIS 191 Cb 0.81 -0.57 0.02 0.00 1.12 0.00 0.00 29.99 31.37 3gbo n HIS 191 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3gbo n ASN 192 N -2.35 -3.84 -4.75 0.41 5.15 -0.20 -4.88 115.26 104.81 3gbo n ASN 192 Ca -0.16 -1.11 -0.41 0.00 -0.60 0.00 0.00 54.58 52.30 3gbo n ASN 192 Cb 0.76 -2.77 -0.03 0.00 -0.53 0.00 0.00 39.78 37.21 3gbo n ASN 192 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3gbo s PRO 193 N -6.55 4.43 0.09 1.20 0.04 -1.26 -4.94 135.00 128.01 3gbo s PRO 193 Ca 0.38 2.03 0.23 0.00 0.04 0.00 0.00 61.00 63.68 3gbo s PRO 193 Cb -0.16 -3.17 0.08 0.00 0.04 0.00 0.00 34.50 31.28 3gbo s PRO 193 CO 0.90 -0.15 1.05 1.04 0.04 0.00 0.00 177.00 179.89 3gbo n GLN 194 N 2.01 0.37 0.11 4.56 1.13 -1.26 -4.35 117.38 119.94 3gbo n GLN 194 Ca 0.04 0.02 0.13 0.00 -1.94 0.00 0.00 57.00 55.24 3gbo n GLN 194 Cb 0.43 -1.65 0.45 0.00 0.11 0.00 0.00 30.24 29.58 3gbo n GLN 194 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3gbo n ILE 196 N -2.20 2.86 -0.05 0.00 -5.35 -1.26 -4.34 119.36 109.03 3gbo n ILE 196 Ca 0.04 -1.53 -0.10 0.00 -0.27 0.00 0.00 62.75 60.89 3gbo n ILE 196 Cb 0.35 -0.35 -0.15 0.00 -1.74 0.00 0.00 39.64 37.75 3gbo n ILE 196 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3gbo n LEU 197 N 0.08 0.75 -4.84 7.28 4.77 -1.11 -1.15 117.00 122.78 3gbo n LEU 197 Ca 0.37 0.26 -0.33 0.00 -0.03 0.00 0.00 56.01 56.28 3gbo n LEU 197 Cb 1.33 0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 42.54 3gbo n LEU 197 CO 0.41 0.46 0.40 0.54 -1.33 0.00 0.00 177.39 177.87 3gbo s ASN 198 N -5.96 6.82 0.07 -1.43 4.22 -1.26 -4.76 114.94 112.64 3gbo s ASN 198 Ca -0.08 1.28 -0.09 0.00 -2.14 0.00 0.00 52.86 51.83 3gbo s ASN 198 Cb 0.07 -2.37 -0.06 0.00 1.28 0.00 0.00 41.25 40.17 3gbo s ASN 198 CO 0.82 -0.15 0.39 -1.61 -2.04 0.00 0.00 177.10 174.51 3gbo s GLU 199 N -2.75 3.74 0.00 3.55 2.02 -1.26 -4.62 118.70 119.37 3gbo s GLU 199 Ca 0.51 0.15 0.27 0.00 0.02 0.00 0.00 54.97 55.92 3gbo s GLU 199 Cb -0.12 -3.01 0.90 0.00 0.10 0.00 0.00 34.13 32.01 3gbo s GLU 199 CO 0.18 0.57 1.66 -0.35 0.02 0.00 0.00 175.26 177.34