#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bpl s ASN 4 N 0.00 6.81 0.08 1.45 0.01 -1.26 -5.01 114.94 117.02 1bpl s ASN 4 Ca 0.00 2.40 -0.19 0.00 -0.71 0.00 0.00 52.86 54.36 1bpl s ASN 4 Cb 0.00 -2.63 -0.07 0.00 0.41 0.00 0.00 41.25 38.97 1bpl s ASN 4 CO 0.00 -0.48 0.56 -0.83 -1.51 0.00 0.00 177.10 174.85 1bpl s GLY 5 N -0.92 2.66 -0.02 0.66 0.00 -1.26 -4.90 107.32 103.54 1bpl s GLY 5 Ca 0.51 0.02 0.00 0.00 0.00 0.00 0.00 44.72 45.25 1bpl s GLY 5 CO 0.42 0.43 0.02 -1.59 0.00 0.00 0.00 173.10 172.39 1bpl s THR 6 N -1.13 0.01 0.11 0.90 2.01 -1.26 -4.98 115.64 111.31 1bpl s THR 6 Ca 0.29 0.16 0.04 0.00 0.31 0.00 0.00 61.69 62.49 1bpl s THR 6 Cb -0.19 -0.12 -0.04 0.00 0.01 0.00 0.00 72.50 72.16 1bpl s THR 6 CO 0.19 0.09 0.07 -0.22 -0.69 0.00 0.00 174.62 174.06 1bpl s LEU 7 N 0.92 3.70 -0.03 4.42 2.96 -1.26 -0.42 118.68 128.98 1bpl s LEU 7 Ca -0.08 -0.10 0.01 0.00 -0.22 0.00 0.00 54.13 53.73 1bpl s LEU 7 Cb -0.12 -2.37 0.02 0.00 0.50 0.00 0.00 46.19 44.23 1bpl s LEU 7 CO -0.02 0.14 -0.01 -0.32 -1.32 0.00 0.00 176.35 174.82 1bpl s MET 8 N -2.61 0.35 -0.43 1.98 -2.45 -0.57 -4.98 119.30 110.59 1bpl s MET 8 Ca 0.29 0.05 -0.27 0.00 -1.25 0.00 0.00 55.69 54.50 1bpl s MET 8 Cb -0.11 -0.50 0.02 0.00 1.25 0.00 0.00 34.83 35.49 1bpl s MET 8 CO 0.21 -0.12 1.02 -1.14 1.05 0.00 0.00 175.02 176.04 1bpl s GLN 9 N 0.94 3.73 -0.76 4.11 0.74 -1.26 -1.27 119.66 125.89 1bpl s GLN 9 Ca -0.10 0.50 -0.04 0.00 0.05 0.00 0.00 55.36 55.77 1bpl s GLN 9 Cb -0.13 -3.87 0.14 0.00 1.10 0.00 0.00 33.01 30.24 1bpl s GLN 9 CO -0.01 -1.18 2.50 0.98 -0.55 0.00 0.00 175.29 177.03 1bpl n TYR 10 N 7.28 2.12 -3.56 1.67 9.36 -0.63 -4.89 117.16 128.51 1bpl n TYR 10 Ca 0.09 -2.25 -0.06 0.00 3.32 0.00 0.00 57.90 58.99 1bpl n TYR 10 Cb 0.48 -1.45 -0.02 0.00 -0.63 0.00 0.00 39.34 37.72 1bpl n TYR 10 CO 0.00 0.00 0.00 -0.59 0.22 0.00 0.00 176.86 176.49 1bpl s PHE 11 N -2.12 -0.22 0.05 2.98 -0.71 -1.26 -4.67 117.98 112.03 1bpl s PHE 11 Ca 0.55 0.15 0.01 0.00 -1.04 0.00 0.00 56.93 56.60 1bpl s PHE 11 Cb 0.33 0.52 -0.03 0.00 -1.21 0.00 0.00 43.02 42.63 1bpl s PHE 11 CO -0.21 -0.34 -0.06 -2.00 -1.34 0.00 0.00 175.22 171.26 1bpl s GLU 12 N -2.65 0.53 0.13 1.99 -6.30 -1.26 -5.08 118.70 106.06 1bpl s GLU 12 Ca 0.07 -0.86 -0.20 0.00 -2.50 0.00 0.00 54.97 51.48 1bpl s GLU 12 Cb -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 34.13 33.98 1bpl s GLU 12 CO -0.06 -0.00 1.69 2.35 0.02 0.00 0.00 175.26 179.25 1bpl h TRP 13 N 4.16 -0.22 -0.37 5.30 2.91 -2.02 -3.22 115.95 122.50 1bpl h TRP 13 Ca -0.35 0.02 -0.14 0.00 1.13 0.00 0.00 58.89 59.56 1bpl h TRP 13 Cb 1.19 0.13 -0.08 0.00 -0.51 0.00 0.00 29.16 29.89 1bpl h TRP 13 CO 0.63 -0.15 0.18 0.66 -1.03 0.00 0.00 178.44 178.73 1bpl n TYR 14 N -5.25 1.19 -1.95 2.65 4.01 -1.26 -4.97 117.16 111.59 1bpl n TYR 14 Ca -0.02 -0.79 -0.34 0.00 -0.16 0.00 0.00 57.90 56.59 1bpl n TYR 14 Cb 0.17 -0.45 0.03 0.00 -0.31 0.00 0.00 39.34 38.78 1bpl n TYR 14 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 1bpl s MET 15 N -1.59 2.98 0.36 -0.72 -1.94 -1.22 -4.95 119.30 112.22 1bpl s MET 15 Ca 0.25 1.55 -0.28 0.00 -1.71 0.00 0.00 55.69 55.50 1bpl s MET 15 Cb 0.20 -1.96 -0.10 0.00 2.01 0.00 0.00 34.83 34.98 1bpl s MET 15 CO 0.06 -1.14 1.33 -1.25 -0.01 0.00 0.00 175.02 174.01 1bpl s PRO 16 N -3.69 4.20 -1.26 2.03 0.04 -1.26 -4.92 135.00 130.14 1bpl s PRO 16 Ca 0.71 2.24 -0.13 0.00 0.04 0.00 0.00 61.00 63.86 1bpl s PRO 16 Cb -0.23 -2.96 0.15 0.00 0.04 0.00 0.00 34.50 31.50 1bpl s PRO 16 CO 0.35 -0.33 1.67 -1.71 0.04 0.00 0.00 177.00 177.02 1bpl n ASN 17 N 0.54 5.05 -0.02 6.66 5.15 -1.26 -4.55 115.26 126.83 1bpl n ASN 17 Ca 0.01 -3.00 0.01 0.00 -0.60 0.00 0.00 54.58 51.01 1bpl n ASN 17 Cb 0.42 -1.58 0.02 0.00 -0.53 0.00 0.00 39.78 38.11 1bpl n ASN 17 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 1bpl n ASP 18 N 5.54 1.82 -1.61 1.20 5.68 -1.26 -5.01 116.55 122.92 1bpl n ASP 18 Ca 0.41 -2.04 -0.20 0.00 -0.50 0.00 0.00 54.79 52.45 1bpl n ASP 18 Cb 0.41 -0.06 -0.09 0.00 -1.14 0.00 0.00 41.12 40.25 1bpl n ASP 18 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bpl n GLY 19 N -0.56 1.90 0.60 6.12 0.00 -0.81 -4.85 105.19 107.59 1bpl n GLY 19 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.10 1bpl n GLY 19 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1bpl n GLN 20 N -2.36 1.69 -0.27 1.61 1.13 -1.24 -3.97 117.38 113.98 1bpl n GLN 20 Ca -0.20 -1.64 -0.05 0.00 -1.94 0.00 0.00 57.00 53.16 1bpl n GLN 20 Cb 0.67 -1.27 0.06 0.00 0.11 0.00 0.00 30.24 29.81 1bpl n GLN 20 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1bpl h HIS 21 N 2.40 0.98 -0.77 1.08 2.76 -1.65 -1.17 115.15 118.78 1bpl h HIS 21 Ca 0.00 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.12 1bpl h HIS 21 Cb 0.63 -0.32 -0.03 0.00 1.55 0.00 0.00 27.41 29.24 1bpl h HIS 21 CO 0.12 0.66 0.31 -1.49 -1.30 0.00 0.00 177.93 176.23 1bpl h TRP 22 N 1.01 1.17 -0.61 5.26 -0.00 -1.68 -0.91 115.95 120.19 1bpl h TRP 22 Ca 0.26 -0.09 -0.06 0.00 -0.00 0.00 0.00 58.89 59.01 1bpl h TRP 22 Cb -0.03 -0.35 -0.03 0.00 -0.00 0.00 0.00 29.16 28.76 1bpl h TRP 22 CO -0.01 0.89 0.15 0.87 -0.00 0.00 0.00 178.44 180.35 1bpl h LYS 23 N 1.12 0.98 -0.17 0.49 1.57 -1.78 -0.29 116.57 118.48 1bpl h LYS 23 Ca 0.26 -0.24 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1bpl h LYS 23 Cb 0.22 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1bpl h LYS 23 CO -0.02 0.90 0.01 0.00 -0.57 0.00 0.00 179.45 179.77 1bpl h ARG 24 N 0.90 0.07 -0.46 3.15 3.08 -0.67 0.19 114.38 120.63 1bpl h ARG 24 Ca 0.19 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.25 1bpl h ARG 24 Cb 0.35 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 1bpl h ARG 24 CO 0.00 0.05 0.30 1.25 -1.07 0.00 0.00 179.97 180.50 1bpl h LEU 25 N 0.08 0.50 -1.01 3.04 5.85 -0.90 0.24 115.31 123.11 1bpl h LEU 25 Ca 0.08 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.83 1bpl h LEU 25 Cb 0.09 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 1bpl h LEU 25 CO -0.12 0.36 0.66 -0.61 -0.34 0.00 0.00 178.44 178.39 1bpl h GLN 26 N 0.60 1.25 0.00 1.25 4.15 -0.63 -1.42 115.11 120.30 1bpl h GLN 26 Ca 0.18 -0.07 -0.06 0.00 0.77 0.00 0.00 58.65 59.46 1bpl h GLN 26 Cb -0.04 -0.28 -0.01 0.00 0.21 0.00 0.00 27.48 27.36 1bpl h GLN 26 CO -0.05 0.82 -0.31 -0.91 -1.93 0.00 0.00 178.83 176.45 1bpl h ASN 27 N 1.28 0.00 -0.02 -0.69 2.35 -0.41 -3.12 115.58 114.98 1bpl h ASN 27 Ca 0.40 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.15 1bpl h ASN 27 Cb -0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.36 1bpl h ASN 27 CO -0.12 0.31 0.00 -0.67 -1.65 0.00 0.00 177.43 175.30 1bpl n ASP 28 N -3.43 0.96 -0.29 5.81 2.03 0.02 -4.38 116.55 117.28 1bpl n ASP 28 Ca 0.00 -1.34 -0.02 0.00 0.52 0.00 0.00 54.79 53.95 1bpl n ASP 28 Cb 0.49 -0.01 0.10 0.00 -0.72 0.00 0.00 41.12 40.99 1bpl n ASP 28 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1bpl h SER 29 N 1.49 0.85 -0.19 1.67 4.64 -1.43 -2.01 113.55 118.57 1bpl h SER 29 Ca 0.00 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1bpl h SER 29 Cb 0.32 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 1bpl h SER 29 CO 0.00 0.58 0.08 0.00 -0.87 0.00 0.00 176.83 176.62 1bpl h ALA 30 N 1.34 0.24 -0.11 5.18 0.00 -1.86 -1.36 119.26 122.70 1bpl h ALA 30 Ca 0.32 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1bpl h ALA 30 Cb 0.02 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1bpl h ALA 30 CO -0.12 -0.17 -0.05 -0.92 0.00 0.00 0.00 179.25 177.99 1bpl h TYR 31 N 0.16 -0.12 -0.43 0.00 3.20 -1.82 -0.85 116.97 117.10 1bpl h TYR 31 Ca 0.06 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.01 1bpl h TYR 31 Cb 0.16 0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.45 1bpl h TYR 31 CO -0.02 -0.09 0.12 -0.07 -1.64 0.00 0.00 178.16 176.47 1bpl h LEU 32 N -0.04 0.08 -0.49 2.82 3.38 -1.26 -1.93 115.31 117.88 1bpl h LEU 32 Ca 0.06 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1bpl h LEU 32 Cb 0.14 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1bpl h LEU 32 CO -0.14 0.08 0.24 0.00 0.09 0.00 0.00 178.44 178.71 1bpl h ALA 33 N 1.31 0.63 0.00 1.53 0.00 -0.95 -1.15 119.26 120.62 1bpl h ALA 33 Ca 0.21 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1bpl h ALA 33 Cb 0.23 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1bpl h ALA 33 CO -0.24 0.19 -0.10 1.05 0.00 0.00 0.00 179.25 180.14 1bpl h GLU 34 N 0.65 0.00 -0.62 0.00 4.11 -0.84 -2.72 114.58 115.15 1bpl h GLU 34 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.60 1bpl h GLU 34 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1bpl h GLU 34 CO -0.02 0.10 0.00 0.72 0.07 0.00 0.00 179.01 179.88 1bpl n HIS 35 N -3.29 1.01 -0.87 2.06 8.25 -0.75 -4.96 115.22 116.67 1bpl n HIS 35 Ca -0.00 -0.45 0.00 0.00 -0.26 0.00 0.00 57.72 57.01 1bpl n HIS 35 Cb 0.33 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.35 1bpl n HIS 35 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bpl n GLY 36 N 1.27 0.61 3.69 -1.41 0.00 -1.03 -5.02 105.19 103.30 1bpl n GLY 36 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1bpl n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bpl s ILE 37 N -2.22 4.18 -0.55 -0.61 1.09 -0.46 -4.03 121.20 118.60 1bpl s ILE 37 Ca 0.00 1.52 0.12 0.00 -1.10 0.00 0.00 60.65 61.19 1bpl s ILE 37 Cb 0.00 -3.98 -0.14 0.00 -1.06 0.00 0.00 42.46 37.29 1bpl s ILE 37 CO 0.00 0.02 0.51 0.35 -0.10 0.00 0.00 174.94 175.72 1bpl n THR 38 N 4.52 0.00 -3.68 2.92 -2.24 0.44 -4.42 114.28 111.82 1bpl n THR 38 Ca 0.11 -0.21 -0.14 0.00 -2.27 0.00 0.00 64.05 61.53 1bpl n THR 38 Cb 0.46 0.96 -0.08 0.00 -2.10 0.00 0.00 70.33 69.57 1bpl n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bpl s ALA 39 N -2.20 -1.24 -0.03 6.98 0.00 -1.02 -0.00 121.76 124.25 1bpl s ALA 39 Ca 0.04 1.19 0.04 0.00 0.00 0.00 0.00 51.96 53.23 1bpl s ALA 39 Cb 0.09 -0.52 -0.00 0.00 0.00 0.00 0.00 23.12 22.70 1bpl s ALA 39 CO 0.51 -0.26 -0.14 0.14 0.00 0.00 0.00 175.76 176.01 1bpl s VAL 40 N -0.29 1.13 -0.29 0.00 -7.23 0.35 -1.51 120.40 112.56 1bpl s VAL 40 Ca -0.04 -0.56 -0.13 0.00 -1.81 0.00 0.00 61.98 59.44 1bpl s VAL 40 Cb -0.03 -0.98 -0.04 0.00 0.56 0.00 0.00 36.38 35.89 1bpl s VAL 40 CO 0.03 0.33 0.26 0.86 -0.31 0.00 0.00 175.10 176.27 1bpl s TRP 41 N 0.05 3.23 0.24 2.82 -0.00 -0.39 -0.84 118.94 124.05 1bpl s TRP 41 Ca -0.02 0.12 -0.02 0.00 -0.00 0.00 0.00 56.10 56.18 1bpl s TRP 41 Cb -0.10 -2.47 -0.04 0.00 -0.00 0.00 0.00 33.47 30.86 1bpl s TRP 41 CO 0.01 -0.24 0.45 0.96 -0.00 0.00 0.00 176.95 178.14 1bpl s ILE 42 N 1.85 5.14 0.90 5.86 -4.36 -0.88 -1.60 121.20 128.11 1bpl s ILE 42 Ca 0.09 -0.26 -0.12 0.00 -0.26 0.00 0.00 60.65 60.11 1bpl s ILE 42 Cb -0.16 -3.75 0.13 0.00 1.25 0.00 0.00 42.46 39.93 1bpl s ILE 42 CO 0.11 -0.25 1.09 -2.16 0.24 0.00 0.00 174.94 173.97 1bpl s PRO 43 N -3.49 1.25 -0.22 0.37 0.04 -1.26 -3.73 135.00 127.96 1bpl s PRO 43 Ca 0.40 0.78 -0.38 0.00 0.04 0.00 0.00 61.00 61.84 1bpl s PRO 43 Cb -0.11 -1.81 -0.14 0.00 0.04 0.00 0.00 34.50 32.48 1bpl s PRO 43 CO 0.30 -2.24 1.80 -2.30 0.04 0.00 0.00 177.00 174.60 1bpl n PRO 44 N -3.87 1.51 0.04 0.56 -0.02 -1.26 -4.61 135.00 127.34 1bpl n PRO 44 Ca 0.07 0.55 0.12 0.00 -2.02 0.00 0.00 63.50 62.23 1bpl n PRO 44 Cb 0.55 -2.29 0.29 0.00 -0.02 0.00 0.00 33.50 32.03 1bpl n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bpl n ALA 45 N 5.85 2.90 -2.36 3.55 0.00 -1.26 -4.72 120.51 124.46 1bpl n ALA 45 Ca 0.25 -0.22 -0.28 0.00 0.00 0.00 0.00 53.44 53.19 1bpl n ALA 45 Cb 0.19 -1.25 -0.02 0.00 0.00 0.00 0.00 19.45 18.37 1bpl n ALA 45 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1bpl s TYR 46 N -3.09 3.51 -0.00 0.00 -0.85 -1.26 -4.04 117.35 111.62 1bpl s TYR 46 Ca 0.09 0.76 -0.36 0.00 -0.52 0.00 0.00 57.07 57.05 1bpl s TYR 46 Cb 0.15 -2.23 -0.14 0.00 0.38 0.00 0.00 41.96 40.12 1bpl s TYR 46 CO 0.67 -0.07 1.63 1.17 -1.52 0.00 0.00 175.55 177.43 1bpl n LYS 47 N -1.65 1.75 -0.11 -3.49 3.00 0.22 -4.89 118.16 112.99 1bpl n LYS 47 Ca -0.00 0.63 0.00 0.00 -0.00 0.00 0.00 58.31 58.94 1bpl n LYS 47 Cb 0.55 -2.38 0.00 0.00 0.00 0.00 0.00 35.03 33.20 1bpl n LYS 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1bpl n GLY 48 N 3.61 1.16 0.00 3.14 0.00 -1.26 -1.60 105.19 110.24 1bpl n GLY 48 Ca 0.20 -1.94 0.15 0.00 0.00 0.00 0.00 46.02 44.44 1bpl n GLY 48 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bpl n THR 49 N -0.19 0.00 -3.72 2.61 -2.24 -1.26 -4.44 114.28 105.04 1bpl n THR 49 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 1bpl n THR 49 Cb 0.00 -0.50 -0.01 0.00 -2.10 0.00 0.00 70.33 67.71 1bpl n THR 49 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1bpl s SER 50 N -2.54 -0.20 0.37 3.42 1.04 -1.26 -4.92 113.70 109.60 1bpl s SER 50 Ca 0.30 -0.35 0.05 0.00 0.48 0.00 0.00 55.95 56.42 1bpl s SER 50 Cb 0.20 0.48 0.70 0.00 0.10 0.00 0.00 66.02 67.50 1bpl s SER 50 CO 0.45 -0.87 1.97 -0.61 0.98 0.00 0.00 173.24 175.16 1bpl h GLN 51 N 2.00 0.59 0.00 4.02 4.15 -1.89 -2.78 115.11 121.21 1bpl h GLN 51 Ca -0.24 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.11 1bpl h GLN 51 Cb 1.23 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.81 1bpl h GLN 51 CO 0.26 0.48 0.00 0.00 -1.93 0.00 0.00 178.83 177.64 1bpl n ALA 52 N -2.47 2.26 -1.62 3.38 0.00 -1.26 -1.76 120.51 119.05 1bpl n ALA 52 Ca 0.03 -0.07 -0.49 0.00 0.00 0.00 0.00 53.44 52.91 1bpl n ALA 52 Cb 0.14 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.08 1bpl n ALA 52 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1bpl n ASP 53 N -1.78 2.05 0.29 0.00 -0.08 -1.05 -4.84 116.55 111.14 1bpl n ASP 53 Ca 0.06 1.12 0.17 0.00 -1.51 0.00 0.00 54.79 54.63 1bpl n ASP 53 Cb 0.36 -1.28 0.86 0.00 2.34 0.00 0.00 41.12 43.40 1bpl n ASP 53 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1bpl h VAL 54 N 3.23 0.27 0.00 5.18 2.07 -1.91 -3.41 116.25 121.67 1bpl h VAL 54 Ca -0.46 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1bpl h VAL 54 Cb 1.31 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 1bpl h VAL 54 CO 0.79 0.05 0.00 0.61 0.02 0.00 0.00 177.57 179.04 1bpl n GLY 55 N -0.64 0.75 0.57 2.17 0.00 -1.26 -4.39 105.19 102.39 1bpl n GLY 55 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.14 1bpl n GLY 55 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1bpl n TYR 56 N 0.00 0.02 -0.03 1.61 4.01 -1.26 -3.70 117.16 117.81 1bpl n TYR 56 Ca 0.00 -0.01 -0.12 0.00 -0.16 0.00 0.00 57.90 57.61 1bpl n TYR 56 Cb 0.00 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.04 1bpl n TYR 56 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1bpl h GLY 57 N 4.84 0.76 -6.05 2.72 0.00 -1.94 -3.48 103.07 99.92 1bpl h GLY 57 Ca 0.00 -0.90 -0.10 0.00 0.00 0.00 0.00 47.33 46.33 1bpl h GLY 57 CO 0.00 0.81 -1.00 0.00 0.00 0.00 0.00 176.54 176.35 1bpl n ALA 58 N -2.54 -2.49 -0.10 3.60 0.00 -1.24 -1.62 120.51 116.11 1bpl n ALA 58 Ca -0.04 0.32 -0.14 0.00 0.00 0.00 0.00 53.44 53.58 1bpl n ALA 58 Cb 0.63 -1.42 -0.05 0.00 0.00 0.00 0.00 19.45 18.61 1bpl n ALA 58 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1bpl n TYR 59 N 0.62 0.19 -3.81 0.00 9.36 -0.63 -0.73 117.16 122.16 1bpl n TYR 59 Ca -0.01 0.08 -0.29 0.00 3.32 0.00 0.00 57.90 61.00 1bpl n TYR 59 Cb 0.44 -0.69 -0.16 0.00 -0.63 0.00 0.00 39.34 38.30 1bpl n TYR 59 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1bpl s ASP 60 N -6.31 3.38 0.55 2.98 2.15 -0.79 -4.80 116.67 113.82 1bpl s ASP 60 Ca -0.29 -1.05 0.32 0.00 0.43 0.00 0.00 52.55 51.96 1bpl s ASP 60 Cb 0.06 -0.84 1.51 0.00 -0.30 0.00 0.00 42.92 43.35 1bpl s ASP 60 CO 0.42 -0.29 2.05 -0.07 -0.17 0.00 0.00 175.17 177.11 1bpl h LEU 61 N 8.12 0.00 -2.06 -1.34 3.38 -1.92 -2.51 115.31 118.98 1bpl h LEU 61 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1bpl h LEU 61 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1bpl h LEU 61 CO 0.38 0.07 0.00 -1.22 0.09 0.00 0.00 178.44 177.76 1bpl n TYR 62 N -3.29 0.44 -3.70 1.13 4.01 -1.26 -4.68 117.16 109.80 1bpl n TYR 62 Ca -0.01 -0.22 -0.37 0.00 -0.16 0.00 0.00 57.90 57.14 1bpl n TYR 62 Cb 0.27 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.20 1bpl n TYR 62 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1bpl s ASP 63 N -1.50 5.32 -0.32 7.72 2.15 -0.96 -4.94 116.67 124.13 1bpl s ASP 63 Ca 0.37 -2.79 -0.02 0.00 0.43 0.00 0.00 52.55 50.54 1bpl s ASP 63 Cb 0.22 -1.87 0.13 0.00 -0.30 0.00 0.00 42.92 41.10 1bpl s ASP 63 CO 0.30 -0.39 2.33 0.18 -0.17 0.00 0.00 175.17 177.42 1bpl n LEU 64 N 3.59 6.35 -1.15 -1.34 4.77 -1.26 0.71 117.00 128.67 1bpl n LEU 64 Ca 0.07 -3.47 -0.01 0.00 -0.03 0.00 0.00 56.01 52.56 1bpl n LEU 64 Cb 0.38 -1.13 0.01 0.00 -2.33 0.00 0.00 43.42 40.35 1bpl n LEU 64 CO 0.34 1.39 0.01 0.61 -1.33 0.00 0.00 177.39 178.41 1bpl n GLY 65 N 0.67 0.41 0.00 -0.72 0.00 -1.26 -2.37 105.19 101.94 1bpl n GLY 65 Ca 0.35 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1bpl n GLY 65 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1bpl n GLU 66 N -1.21 1.56 -4.27 1.61 2.13 -1.18 -2.44 120.64 116.84 1bpl n GLU 66 Ca -0.02 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.56 1bpl n GLU 66 Cb 0.51 -0.89 -0.07 0.00 0.27 0.00 0.00 31.44 31.26 1bpl n GLU 66 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1bpl s PHE 67 N -1.77 2.75 -0.69 4.31 0.08 -1.26 -4.99 117.98 116.41 1bpl s PHE 67 Ca 0.00 -0.20 -0.25 0.00 0.12 0.00 0.00 56.93 56.60 1bpl s PHE 67 Cb 0.00 -1.25 0.04 0.00 -0.57 0.00 0.00 43.02 41.25 1bpl s PHE 67 CO 0.00 0.59 1.15 -1.58 -0.10 0.00 0.00 175.22 175.28 1bpl s HIS 68 N -2.17 2.46 0.03 0.36 5.65 -1.26 -4.27 115.29 116.08 1bpl s HIS 68 Ca 0.30 -0.20 -0.04 0.00 0.25 0.00 0.00 55.06 55.38 1bpl s HIS 68 Cb -0.07 -4.48 -0.01 0.00 -1.18 0.00 0.00 32.58 26.84 1bpl s HIS 68 CO 0.20 -1.86 0.05 -0.65 -0.65 0.00 0.00 174.74 171.82 1bpl s GLN 69 N 5.01 0.47 -1.55 2.88 -0.21 -0.66 -4.24 119.66 121.37 1bpl s GLN 69 Ca 0.31 -0.68 0.00 0.00 0.02 0.00 0.00 55.36 55.01 1bpl s GLN 69 Cb -0.11 0.18 0.00 0.00 1.00 0.00 0.00 33.01 34.08 1bpl s GLN 69 CO 0.14 -0.10 0.00 1.63 -2.12 0.00 0.00 175.29 174.84 1bpl n LYS 70 N 1.13 -1.86 -1.52 2.91 4.76 -1.26 -2.08 118.16 120.23 1bpl n LYS 70 Ca -0.21 0.88 -0.09 0.00 -2.87 0.00 0.00 58.31 56.02 1bpl n LYS 70 Cb 0.57 -5.51 -0.03 0.00 -1.84 0.00 0.00 35.03 28.22 1bpl n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1bpl n GLY 71 N -0.93 0.74 3.50 0.72 0.00 -1.26 -4.25 105.19 103.71 1bpl n GLY 71 Ca -0.21 -0.61 -0.14 0.00 0.00 0.00 0.00 46.02 45.05 1bpl n GLY 71 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1bpl s THR 72 N -2.35 0.00 -0.17 2.61 -1.32 -0.88 -4.98 115.64 108.54 1bpl s THR 72 Ca 0.00 0.00 -0.15 0.00 -1.21 0.00 0.00 61.69 60.33 1bpl s THR 72 Cb 0.00 -1.00 -0.11 0.00 -1.51 0.00 0.00 72.50 69.88 1bpl s THR 72 CO 0.00 0.00 0.04 0.58 -2.21 0.00 0.00 174.62 173.03 1bpl h VAL 73 N 2.60 0.48 -4.34 5.08 2.07 -1.82 -1.77 116.25 118.55 1bpl h VAL 73 Ca -0.27 -1.59 -0.51 0.00 0.82 0.00 0.00 66.70 65.15 1bpl h VAL 73 Cb 1.19 1.13 0.09 0.00 -1.52 0.00 0.00 31.29 32.19 1bpl h VAL 73 CO 0.37 0.16 0.37 0.00 0.02 0.00 0.00 177.57 178.49 1bpl s ARG 74 N -2.27 2.98 0.04 1.57 1.70 -1.26 -3.10 118.95 118.62 1bpl s ARG 74 Ca -0.21 0.95 -0.00 0.00 -0.47 0.00 0.00 55.73 55.99 1bpl s ARG 74 Cb 0.04 -2.00 0.01 0.00 -0.57 0.00 0.00 34.95 32.43 1bpl s ARG 74 CO 0.40 -1.07 0.06 0.25 -1.08 0.00 0.00 175.30 173.86 1bpl n THR 75 N -3.10 0.00 -0.18 4.99 -2.24 -0.42 -4.86 114.28 108.48 1bpl n THR 75 Ca 0.07 -0.07 0.01 0.00 -2.27 0.00 0.00 64.05 61.80 1bpl n THR 75 Cb 0.54 -1.62 0.28 0.00 -2.10 0.00 0.00 70.33 67.42 1bpl n THR 75 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1bpl h LYS 76 N 0.00 0.90 0.00 -0.78 3.64 -1.59 -3.16 116.57 115.58 1bpl h LYS 76 Ca -0.02 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.16 1bpl h LYS 76 Cb 0.06 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 1bpl h LYS 76 CO 0.02 0.60 -0.85 1.88 -2.27 0.00 0.00 179.45 178.82 1bpl h TYR 77 N 0.93 0.00 0.00 1.91 0.05 -1.89 -2.16 116.97 115.80 1bpl h TYR 77 Ca 0.25 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.03 1bpl h TYR 77 Cb -0.10 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.64 1bpl h TYR 77 CO -0.00 0.63 0.00 0.41 -1.05 0.00 0.00 178.16 178.15 1bpl n GLY 78 N 1.30 0.21 4.00 3.88 0.00 -1.20 -1.87 105.19 111.52 1bpl n GLY 78 Ca -0.02 -1.58 -0.18 0.00 0.00 0.00 0.00 46.02 44.24 1bpl n GLY 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bpl s THR 79 N -2.78 3.11 0.32 2.61 -4.23 -1.26 -1.30 115.64 112.11 1bpl s THR 79 Ca 0.00 -0.97 -0.00 0.00 -1.18 0.00 0.00 61.69 59.54 1bpl s THR 79 Cb 0.00 -3.06 0.26 0.00 1.34 0.00 0.00 72.50 71.05 1bpl s THR 79 CO 0.00 -0.02 1.98 0.50 -0.54 0.00 0.00 174.62 176.54 1bpl h LYS 80 N 0.62 0.99 -0.43 3.99 3.64 -1.12 -1.92 116.57 122.34 1bpl h LYS 80 Ca -0.41 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 58.89 1bpl h LYS 80 Cb 1.28 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.85 1bpl h LYS 80 CO 0.47 0.66 0.20 0.78 -2.27 0.00 0.00 179.45 179.28 1bpl h GLY 81 N 1.02 0.68 1.05 5.01 0.00 -1.88 0.03 103.07 108.98 1bpl h GLY 81 Ca 0.28 -0.35 -0.05 0.00 0.00 0.00 0.00 47.33 47.22 1bpl h GLY 81 CO -0.06 0.33 0.32 0.83 0.00 0.00 0.00 176.54 177.95 1bpl h GLU 82 N 0.56 1.20 -0.32 4.80 5.08 -1.87 0.10 114.58 124.13 1bpl h GLU 82 Ca 0.15 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1bpl h GLU 82 Cb 0.15 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1bpl h GLU 82 CO -0.02 0.97 0.19 1.25 -1.00 0.00 0.00 179.01 180.40 1bpl h LEU 83 N 1.17 0.38 -0.79 1.33 5.85 -1.05 -0.08 115.31 122.12 1bpl h LEU 83 Ca 0.27 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 1bpl h LEU 83 Cb 0.22 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1bpl h LEU 83 CO -0.02 0.32 0.37 1.56 -0.34 0.00 0.00 178.44 180.33 1bpl h GLN 84 N 0.40 1.15 -0.68 1.25 4.20 -0.40 -0.97 115.11 120.06 1bpl h GLN 84 Ca 0.11 -0.18 -0.07 0.00 0.06 0.00 0.00 58.65 58.58 1bpl h GLN 84 Cb 0.01 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.56 1bpl h GLN 84 CO -0.02 0.90 0.15 0.77 -0.67 0.00 0.00 178.83 179.95 1bpl h SER 85 N 1.13 1.04 -0.17 1.46 0.02 -0.68 -1.89 113.55 114.47 1bpl h SER 85 Ca 0.27 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1bpl h SER 85 Cb 0.13 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 1bpl h SER 85 CO -0.03 1.01 0.07 0.00 -1.14 0.00 0.00 176.83 176.74 1bpl h ALA 86 N 1.11 0.22 -0.47 3.77 0.00 -0.58 -2.38 119.26 120.93 1bpl h ALA 86 Ca 0.21 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1bpl h ALA 86 Cb 0.39 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1bpl h ALA 86 CO 0.01 -0.21 0.18 0.82 0.00 0.00 0.00 179.25 180.05 1bpl h ILE 87 N 0.13 1.18 -0.56 0.00 2.04 -1.06 -1.72 117.51 117.53 1bpl h ILE 87 Ca 0.06 -0.57 -0.09 0.00 1.00 0.00 0.00 64.86 65.26 1bpl h ILE 87 Cb 0.14 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 1bpl h ILE 87 CO -0.01 0.22 0.01 0.50 0.00 0.00 0.00 178.15 178.88 1bpl h LYS 88 N 0.67 0.97 -0.30 2.37 3.64 -1.21 0.19 116.57 122.91 1bpl h LYS 88 Ca 0.16 -0.30 -0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1bpl h LYS 88 Cb 0.15 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1bpl h LYS 88 CO -0.02 0.97 0.18 0.77 -2.27 0.00 0.00 179.45 179.08 1bpl h SER 89 N 0.86 0.36 -0.40 4.20 0.02 -0.86 -0.65 113.55 117.07 1bpl h SER 89 Ca 0.16 -0.05 0.02 0.00 -0.84 0.00 0.00 61.79 61.08 1bpl h SER 89 Cb 0.53 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.95 1bpl h SER 89 CO 0.03 0.31 0.22 -0.07 -1.14 0.00 0.00 176.83 176.18 1bpl h LEU 90 N 0.38 0.35 -1.06 5.07 3.38 -1.11 -2.48 115.31 119.84 1bpl h LEU 90 Ca 0.11 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1bpl h LEU 90 Cb 0.02 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1bpl h LEU 90 CO -0.02 0.25 0.36 0.45 0.09 0.00 0.00 178.44 179.57 1bpl h HIS 91 N 0.45 1.01 0.00 1.13 3.86 -0.64 -0.56 115.15 120.40 1bpl h HIS 91 Ca 0.16 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1bpl h HIS 91 Cb 0.04 -0.32 -0.00 0.00 1.06 0.00 0.00 27.41 28.19 1bpl h HIS 91 CO -0.08 0.73 -0.02 0.66 0.86 0.00 0.00 177.93 180.07 1bpl h SER 92 N 1.02 0.00 -0.54 2.45 4.64 -0.67 -0.21 113.55 120.24 1bpl h SER 92 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1bpl h SER 92 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1bpl h SER 92 CO -0.03 0.02 0.00 0.54 -0.87 0.00 0.00 176.83 176.49 1bpl n ARG 93 N -3.24 2.99 -1.70 4.77 1.74 -0.58 -4.96 116.66 115.68 1bpl n ARG 93 Ca -0.02 -2.50 -0.12 0.00 -0.77 0.00 0.00 57.85 54.45 1bpl n ARG 93 Cb 0.16 -1.54 -0.03 0.00 -1.02 0.00 0.00 32.46 30.03 1bpl n ARG 93 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1bpl n ASP 94 N 0.98 -4.12 -4.79 0.55 8.00 -0.09 -4.97 116.55 112.11 1bpl n ASP 94 Ca 0.20 0.16 -0.37 0.00 0.71 0.00 0.00 54.79 55.49 1bpl n ASP 94 Cb 0.62 -2.94 -0.06 0.00 -0.02 0.00 0.00 41.12 38.72 1bpl n ASP 94 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1bpl s ILE 95 N -2.49 5.25 0.39 0.53 1.01 -0.32 -4.86 121.20 120.70 1bpl s ILE 95 Ca 0.00 0.61 -0.09 0.00 0.00 0.00 0.00 60.65 61.17 1bpl s ILE 95 Cb 0.00 -3.63 -0.06 0.00 0.01 0.00 0.00 42.46 38.78 1bpl s ILE 95 CO 0.00 0.48 0.73 0.20 0.00 0.00 0.00 174.94 176.35 1bpl s ASN 96 N -0.24 6.48 -0.12 3.58 0.02 1.00 -3.84 114.94 121.82 1bpl s ASN 96 Ca 0.19 1.04 0.03 0.00 -1.02 0.00 0.00 52.86 53.10 1bpl s ASN 96 Cb -0.14 -2.28 0.01 0.00 0.02 0.00 0.00 41.25 38.85 1bpl s ASN 96 CO 0.07 -0.38 -0.21 -0.69 0.02 0.00 0.00 177.10 175.91 1bpl s VAL 97 N -2.36 1.92 -0.27 1.60 1.01 -1.26 -0.49 120.40 120.55 1bpl s VAL 97 Ca 0.50 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 61.52 1bpl s VAL 97 Cb -0.10 -1.69 0.02 0.00 0.00 0.00 0.00 36.38 34.60 1bpl s VAL 97 CO 0.32 0.53 0.00 -0.31 0.00 0.00 0.00 175.10 175.64 1bpl s TYR 98 N 0.70 3.10 0.38 5.22 2.02 -0.02 -4.96 117.35 123.79 1bpl s TYR 98 Ca -0.11 -1.26 -0.21 0.00 -0.37 0.00 0.00 57.07 55.12 1bpl s TYR 98 Cb -0.16 -2.15 -0.10 0.00 -0.40 0.00 0.00 41.96 39.15 1bpl s TYR 98 CO 0.02 -0.65 0.90 0.20 -1.57 0.00 0.00 175.55 174.45 1bpl s GLY 99 N 1.41 2.48 0.15 0.71 0.00 -1.26 -2.06 107.32 108.75 1bpl s GLY 99 Ca 0.02 0.36 -0.22 0.00 0.00 0.00 0.00 44.72 44.87 1bpl s GLY 99 CO -0.01 0.66 0.69 -0.35 0.00 0.00 0.00 173.10 174.09 1bpl s ASP 100 N -2.04 7.18 -0.31 1.64 -1.08 -1.24 -4.93 116.67 115.89 1bpl s ASP 100 Ca 0.57 1.45 0.02 0.00 -0.52 0.00 0.00 52.55 54.08 1bpl s ASP 100 Cb -0.12 -2.43 0.08 0.00 -1.46 0.00 0.00 42.92 38.99 1bpl s ASP 100 CO 0.16 0.18 -0.01 -0.69 0.52 0.00 0.00 175.17 175.33 1bpl s VAL 101 N -1.25 2.42 -0.62 1.11 1.01 -1.26 -4.79 120.40 117.02 1bpl s VAL 101 Ca 0.36 -1.91 -0.12 0.00 0.00 0.00 0.00 61.98 60.31 1bpl s VAL 101 Cb -0.20 -2.58 0.16 0.00 0.00 0.00 0.00 36.38 33.76 1bpl s VAL 101 CO 0.22 -0.31 0.53 -0.69 0.00 0.00 0.00 175.10 174.85 1bpl s VAL 102 N 1.05 4.84 -0.07 2.92 1.01 -1.26 -4.89 120.40 124.00 1bpl s VAL 102 Ca 0.01 -2.07 0.10 0.00 0.00 0.00 0.00 61.98 60.02 1bpl s VAL 102 Cb -0.20 -4.09 0.16 0.00 0.00 0.00 0.00 36.38 32.25 1bpl s VAL 102 CO -0.06 -0.89 1.06 2.30 0.00 0.00 0.00 175.10 177.51 1bpl n ILE 103 N 4.53 1.11 0.09 2.22 -5.35 -1.26 -4.71 119.36 116.00 1bpl n ILE 103 Ca -0.01 -1.32 -0.01 0.00 -0.27 0.00 0.00 62.75 61.14 1bpl n ILE 103 Cb 0.42 0.12 -0.04 0.00 -1.74 0.00 0.00 39.64 38.40 1bpl n ILE 103 CO 0.00 0.00 0.00 -1.13 -1.76 0.00 0.00 176.55 173.66 1bpl h ASN 104 N 0.00 0.00 -2.97 7.28 -0.00 -2.00 -3.48 115.58 114.41 1bpl h ASN 104 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 56.30 56.20 1bpl h ASN 104 Cb 1.09 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.40 1bpl h ASN 104 CO 0.00 0.69 0.11 0.00 -0.00 0.00 0.00 177.43 178.24 1bpl n HIS 105 N -3.22 -1.86 -4.18 0.67 1.44 -1.26 -5.12 115.22 101.69 1bpl n HIS 105 Ca -0.01 -1.70 -0.16 0.00 -2.01 0.00 0.00 57.72 53.85 1bpl n HIS 105 Cb 0.83 0.67 -0.13 0.00 0.12 0.00 0.00 29.99 31.48 1bpl n HIS 105 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 1bpl s LYS 106 N -2.27 0.57 0.09 -1.40 1.02 -1.26 -4.92 119.74 111.57 1bpl s LYS 106 Ca 0.17 -0.49 0.05 0.00 0.02 0.00 0.00 55.97 55.72 1bpl s LYS 106 Cb -0.03 -0.48 -0.03 0.00 -0.52 0.00 0.00 37.83 36.76 1bpl s LYS 106 CO 0.12 0.12 -0.14 0.20 -0.92 0.00 0.00 175.35 174.74 1bpl s GLY 107 N -0.81 0.94 0.00 -3.33 0.00 0.09 -4.88 107.32 99.34 1bpl s GLY 107 Ca -0.02 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 43.57 1bpl s GLY 107 CO 0.00 -1.17 0.00 0.61 0.00 0.00 0.00 173.10 172.54 1bpl n GLY 108 N 0.93 0.89 3.71 0.20 0.00 -1.26 -3.66 105.19 106.01 1bpl n GLY 108 Ca -0.19 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 1bpl n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bpl n ALA 109 N -2.05 1.46 0.22 4.61 0.00 -1.26 -4.87 120.51 118.61 1bpl n ALA 109 Ca 0.00 0.26 0.05 0.00 0.00 0.00 0.00 53.44 53.75 1bpl n ALA 109 Cb 0.45 -2.29 0.48 0.00 0.00 0.00 0.00 19.45 18.08 1bpl n ALA 109 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1bpl h ASP 110 N 2.14 0.00 -5.01 0.00 3.32 -1.15 -3.46 116.42 112.27 1bpl h ASP 110 Ca -0.48 0.00 0.04 0.00 0.02 0.00 0.00 57.03 56.61 1bpl h ASP 110 Cb 1.29 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.76 1bpl h ASP 110 CO 0.60 0.23 0.24 0.00 -1.72 0.00 0.00 179.24 178.59 1bpl s ALA 111 N -4.45 -1.39 0.52 3.45 0.00 -1.11 -5.04 121.76 113.75 1bpl s ALA 111 Ca -0.03 0.02 -0.01 0.00 0.00 0.00 0.00 51.96 51.94 1bpl s ALA 111 Cb 0.15 0.85 0.01 0.00 0.00 0.00 0.00 23.12 24.13 1bpl s ALA 111 CO 0.69 -0.94 0.77 0.95 0.00 0.00 0.00 175.76 177.23 1bpl s THR 112 N -3.82 3.43 -0.03 0.00 -4.23 -1.26 -2.18 115.64 107.55 1bpl s THR 112 Ca 0.07 -0.44 -0.03 0.00 -1.18 0.00 0.00 61.69 60.11 1bpl s THR 112 Cb -0.04 -3.30 0.01 0.00 1.34 0.00 0.00 72.50 70.51 1bpl s THR 112 CO -0.01 -0.24 0.08 -1.61 -0.54 0.00 0.00 174.62 172.31 1bpl s GLU 113 N -4.74 0.13 -0.20 3.99 2.02 0.99 -4.76 118.70 116.13 1bpl s GLU 113 Ca 0.53 0.06 -0.29 0.00 0.02 0.00 0.00 54.97 55.29 1bpl s GLU 113 Cb -0.10 0.06 -0.02 0.00 0.10 0.00 0.00 34.13 34.17 1bpl s GLU 113 CO 0.40 -0.02 1.36 -0.51 0.02 0.00 0.00 175.26 176.51 1bpl s ASP 114 N -0.09 6.77 0.09 -0.19 1.01 -1.26 -1.34 116.67 121.65 1bpl s ASP 114 Ca -0.01 1.61 0.06 0.00 0.71 0.00 0.00 52.55 54.91 1bpl s ASP 114 Cb -0.01 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 1bpl s ASP 114 CO 0.00 -0.93 -0.15 -0.69 0.21 0.00 0.00 175.17 173.61 1bpl s VAL 115 N 4.02 1.21 -0.15 -1.27 1.01 -0.29 -4.94 120.40 119.99 1bpl s VAL 115 Ca 0.59 -1.43 -0.17 0.00 0.00 0.00 0.00 61.98 60.97 1bpl s VAL 115 Cb -0.22 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1bpl s VAL 115 CO 0.20 -0.26 0.46 -0.89 0.00 0.00 0.00 175.10 174.61 1bpl s THR 116 N -1.49 5.18 0.06 3.92 2.01 -1.26 -0.96 115.64 123.10 1bpl s THR 116 Ca 0.01 0.88 -0.02 0.00 0.31 0.00 0.00 61.69 62.87 1bpl s THR 116 Cb -0.09 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 1bpl s THR 116 CO 0.03 0.29 -0.00 0.00 -0.69 0.00 0.00 174.62 174.24 1bpl s ALA 117 N 0.93 0.45 0.22 7.40 0.00 -0.49 0.24 121.76 130.51 1bpl s ALA 117 Ca 0.24 -1.16 0.11 0.00 0.00 0.00 0.00 51.96 51.15 1bpl s ALA 117 Cb -0.15 0.33 -0.05 0.00 0.00 0.00 0.00 23.12 23.25 1bpl s ALA 117 CO 0.09 -0.39 -0.21 0.14 0.00 0.00 0.00 175.76 175.39 1bpl s VAL 118 N -3.92 2.28 0.01 0.00 -7.23 -0.91 -1.38 120.40 109.24 1bpl s VAL 118 Ca 0.08 -2.18 -0.06 0.00 -1.81 0.00 0.00 61.98 58.01 1bpl s VAL 118 Cb 0.08 -2.15 -0.05 0.00 0.56 0.00 0.00 36.38 34.82 1bpl s VAL 118 CO -0.09 -0.29 0.26 -1.61 -0.31 0.00 0.00 175.10 173.05 1bpl s GLU 119 N -3.09 3.56 0.28 4.82 2.02 -1.26 -1.70 118.70 123.32 1bpl s GLU 119 Ca 0.24 -0.12 0.11 0.00 0.02 0.00 0.00 54.97 55.22 1bpl s GLU 119 Cb -0.06 -3.07 -0.05 0.00 0.10 0.00 0.00 34.13 31.05 1bpl s GLU 119 CO 0.11 0.65 -0.14 0.14 0.02 0.00 0.00 175.26 176.04 1bpl s VAL 120 N -1.32 2.78 0.09 2.63 -7.23 -0.59 -0.65 120.40 116.10 1bpl s VAL 120 Ca 0.28 -2.25 -0.31 0.00 -1.81 0.00 0.00 61.98 57.89 1bpl s VAL 120 Cb -0.13 -2.48 -0.08 0.00 0.56 0.00 0.00 36.38 34.25 1bpl s VAL 120 CO 0.17 -0.39 1.57 -0.62 -0.31 0.00 0.00 175.10 175.52 1bpl s ASP 121 N -3.56 6.66 0.56 4.85 -1.08 0.13 -4.60 116.67 119.63 1bpl s ASP 121 Ca 0.31 2.45 0.30 0.00 -0.52 0.00 0.00 52.55 55.08 1bpl s ASP 121 Cb -0.05 -2.57 1.69 0.00 -1.46 0.00 0.00 42.92 40.53 1bpl s ASP 121 CO 0.17 -0.82 2.18 1.55 0.52 0.00 0.00 175.17 178.76 1bpl h PRO 122 N 7.70 0.00 0.00 4.34 0.13 -1.97 -1.82 132.00 140.38 1bpl h PRO 122 Ca -0.42 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.67 1bpl h PRO 122 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1bpl h PRO 122 CO 0.91 0.05 -0.30 0.00 -0.23 0.00 0.00 178.00 178.43 1bpl h ALA 123 N 1.95 0.05 -2.74 -0.56 0.00 -1.98 -3.40 119.26 112.57 1bpl h ALA 123 Ca -0.00 -0.47 -0.74 0.00 0.00 0.00 0.00 54.91 53.70 1bpl h ALA 123 Cb 0.16 0.21 -0.32 0.00 0.00 0.00 0.00 17.79 17.84 1bpl h ALA 123 CO 0.01 0.21 0.12 0.34 0.00 0.00 0.00 179.25 179.93 1bpl s ASP 124 N -6.04 6.53 -0.36 0.00 -1.08 -1.16 -4.97 116.67 109.59 1bpl s ASP 124 Ca -0.14 -3.66 -0.23 0.00 -0.52 0.00 0.00 52.55 48.00 1bpl s ASP 124 Cb 0.00 -2.03 -0.24 0.00 -1.46 0.00 0.00 42.92 39.20 1bpl s ASP 124 CO 0.38 -0.23 1.70 0.54 0.52 0.00 0.00 175.17 178.08 1bpl n ARG 125 N 2.50 0.73 0.00 4.34 1.74 -0.70 -0.70 116.66 124.56 1bpl n ARG 125 Ca 0.22 -1.31 0.00 0.00 -0.77 0.00 0.00 57.85 55.99 1bpl n ARG 125 Cb 0.38 -2.61 0.00 0.00 -1.02 0.00 0.00 32.46 29.21 1bpl n ARG 125 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1bpl n ASN 126 N 7.70 0.00 -4.62 0.55 4.13 -1.26 -4.97 115.26 116.78 1bpl n ASN 126 Ca 0.43 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 56.27 1bpl n ASN 126 Cb 0.35 0.19 -0.03 0.00 -1.54 0.00 0.00 39.78 38.75 1bpl n ASN 126 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 1bpl s ARG 127 N -1.57 3.60 -0.14 3.52 3.52 0.12 -4.84 118.95 123.15 1bpl s ARG 127 Ca 0.00 2.02 -0.29 0.00 -0.13 0.00 0.00 55.73 57.33 1bpl s ARG 127 Cb 0.00 -4.21 -0.01 0.00 -1.56 0.00 0.00 34.95 29.18 1bpl s ARG 127 CO 0.00 -1.56 0.99 0.08 -0.81 0.00 0.00 175.30 174.01 1bpl s VAL 128 N 6.30 4.77 -0.20 7.11 1.01 -1.26 0.20 120.40 138.32 1bpl s VAL 128 Ca 0.87 1.99 0.14 0.00 0.00 0.00 0.00 61.98 64.98 1bpl s VAL 128 Cb -0.32 -4.29 0.45 0.00 0.00 0.00 0.00 36.38 32.22 1bpl s VAL 128 CO 0.35 -0.03 1.34 2.30 0.00 0.00 0.00 175.10 179.06 1bpl n ILE 129 N 4.75 2.26 -3.45 2.22 -5.35 0.17 -4.93 119.36 115.03 1bpl n ILE 129 Ca 0.09 -2.39 -0.13 0.00 -0.27 0.00 0.00 62.75 60.04 1bpl n ILE 129 Cb 0.48 -0.27 -0.03 0.00 -1.74 0.00 0.00 39.64 38.08 1bpl n ILE 129 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1bpl s SER 130 N -2.50 -0.58 0.44 7.28 1.04 -1.22 -4.84 113.70 113.32 1bpl s SER 130 Ca 0.40 0.17 -0.02 0.00 0.48 0.00 0.00 55.95 56.97 1bpl s SER 130 Cb 0.35 0.57 -0.02 0.00 0.10 0.00 0.00 66.02 67.02 1bpl s SER 130 CO 0.03 -0.87 0.69 -0.83 0.98 0.00 0.00 173.24 173.24 1bpl s GLY 131 N -2.37 1.47 0.36 7.32 0.00 -1.26 -4.31 107.32 108.53 1bpl s GLY 131 Ca -0.02 -0.78 -0.27 0.00 0.00 0.00 0.00 44.72 43.66 1bpl s GLY 131 CO -0.07 -0.63 1.21 1.18 0.00 0.00 0.00 173.10 174.78 1bpl n GLU 132 N -2.10 1.87 -3.52 2.90 1.02 -1.26 -4.67 120.64 114.89 1bpl n GLU 132 Ca -0.01 0.66 -0.17 0.00 -0.02 0.00 0.00 57.16 57.62 1bpl n GLU 132 Cb 0.56 -2.23 -0.06 0.00 -0.02 0.00 0.00 31.44 29.70 1bpl n GLU 132 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 1bpl s HIS 133 N -1.13 -0.64 0.20 -0.32 -3.43 -0.48 -4.93 115.29 104.56 1bpl s HIS 133 Ca 0.58 1.05 -0.30 0.00 -0.80 0.00 0.00 55.06 55.59 1bpl s HIS 133 Cb -0.58 0.42 -0.08 0.00 -1.43 0.00 0.00 32.58 30.91 1bpl s HIS 133 CO 0.60 -0.61 1.23 -0.51 -2.00 0.00 0.00 174.74 173.45 1bpl s LEU 134 N -1.30 4.44 0.19 5.38 2.01 -1.26 -1.40 118.68 126.75 1bpl s LEU 134 Ca -0.10 2.30 -0.01 0.00 0.01 0.00 0.00 54.13 56.34 1bpl s LEU 134 Cb -0.00 -3.61 -0.04 0.00 0.01 0.00 0.00 46.19 42.55 1bpl s LEU 134 CO 0.08 -0.42 0.11 0.27 1.01 0.00 0.00 176.35 177.40 1bpl s ILE 135 N -0.07 0.11 -0.24 -0.59 -4.36 -0.14 -4.96 121.20 110.96 1bpl s ILE 135 Ca 0.54 -1.98 -0.03 0.00 -0.26 0.00 0.00 60.65 58.91 1bpl s ILE 135 Cb -0.34 -2.42 0.01 0.00 1.25 0.00 0.00 42.46 40.96 1bpl s ILE 135 CO 0.38 -0.11 -0.04 -0.54 0.24 0.00 0.00 174.94 174.87 1bpl s LYS 136 N -4.11 3.06 0.03 0.37 1.02 -1.26 -1.13 119.74 117.71 1bpl s LYS 136 Ca 0.35 -0.84 0.08 0.00 0.02 0.00 0.00 55.97 55.59 1bpl s LYS 136 Cb 0.07 -3.03 -0.03 0.00 -0.52 0.00 0.00 37.83 34.32 1bpl s LYS 136 CO 0.10 -0.33 -0.23 0.00 -0.92 0.00 0.00 175.35 173.97 1bpl s ALA 137 N 1.40 2.39 -1.28 5.17 0.00 -0.45 -0.06 121.76 128.93 1bpl s ALA 137 Ca 0.03 -1.21 -0.19 0.00 0.00 0.00 0.00 51.96 50.59 1bpl s ALA 137 Cb -0.16 -0.61 0.04 0.00 0.00 0.00 0.00 23.12 22.40 1bpl s ALA 137 CO -0.04 0.55 1.77 -1.58 0.00 0.00 0.00 175.76 176.46 1bpl s TRP 138 N -0.82 2.64 -0.13 0.00 0.52 -1.26 -0.01 118.94 119.88 1bpl s TRP 138 Ca 0.13 -1.27 0.02 0.00 0.02 0.00 0.00 56.10 54.99 1bpl s TRP 138 Cb -0.10 -4.63 -0.00 0.00 -1.15 0.00 0.00 33.47 27.58 1bpl s TRP 138 CO 0.03 -1.71 0.28 0.25 0.02 0.00 0.00 176.95 175.82 1bpl n THR 139 N 6.64 0.00 -3.19 2.01 -2.24 -1.15 -4.52 114.28 111.83 1bpl n THR 139 Ca 0.48 -0.48 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 1bpl n THR 139 Cb 0.46 1.02 -0.07 0.00 -2.10 0.00 0.00 70.33 69.64 1bpl n THR 139 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1bpl s HIS 140 N -0.69 3.22 -0.24 4.78 5.04 -0.93 -3.41 115.29 123.07 1bpl s HIS 140 Ca 0.01 0.50 0.02 0.00 -1.54 0.00 0.00 55.06 54.06 1bpl s HIS 140 Cb 0.01 -2.89 0.05 0.00 0.04 0.00 0.00 32.58 29.80 1bpl s HIS 140 CO 0.04 -0.43 -0.10 -0.06 -2.34 0.00 0.00 174.74 171.85 1bpl s PHE 141 N 2.46 2.90 0.00 3.88 0.40 -0.83 -0.48 117.98 126.31 1bpl s PHE 141 Ca 0.22 -2.03 0.00 0.00 -0.60 0.00 0.00 56.93 54.53 1bpl s PHE 141 Cb -0.15 -1.81 0.00 0.00 0.51 0.00 0.00 43.02 41.57 1bpl s PHE 141 CO 0.11 -0.83 0.05 -2.39 0.70 0.00 0.00 175.22 172.86 1bpl n HIS 142 N 4.54 0.00 -3.28 0.36 1.44 -1.26 -1.48 115.22 115.54 1bpl n HIS 142 Ca -0.14 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.48 1bpl n HIS 142 Cb 0.44 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.55 1bpl n HIS 142 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 1bpl n PHE 143 N -0.89 -2.73 0.11 -1.40 3.72 -1.26 -4.52 117.46 110.50 1bpl n PHE 143 Ca 0.00 1.06 0.12 0.00 -0.05 0.00 0.00 57.45 58.58 1bpl n PHE 143 Cb 0.00 -3.66 0.61 0.00 -0.94 0.00 0.00 39.48 35.49 1bpl n PHE 143 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1bpl h PRO 144 N 0.36 0.11 -0.00 -1.08 0.13 -1.94 0.12 132.00 129.69 1bpl h PRO 144 Ca -0.20 -0.01 -0.18 0.00 -0.87 0.00 0.00 66.00 64.74 1bpl h PRO 144 Cb 1.13 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 1bpl h PRO 144 CO 0.31 0.07 -0.82 0.78 -0.23 0.00 0.00 178.00 178.12 1bpl h GLY 145 N 0.11 0.08 0.30 1.56 0.00 -1.90 -3.35 103.07 99.86 1bpl h GLY 145 Ca 0.13 -0.13 -0.37 0.00 0.00 0.00 0.00 47.33 46.95 1bpl h GLY 145 CO -0.01 0.12 -2.15 -2.13 0.00 0.00 0.00 176.54 172.37 1bpl n ARG 146 N -3.62 0.69 0.00 4.80 0.63 -0.86 -4.57 116.66 113.73 1bpl n ARG 146 Ca -0.02 0.25 0.00 0.00 -0.92 0.00 0.00 57.85 57.16 1bpl n ARG 146 Cb 0.78 -1.63 0.00 0.00 0.45 0.00 0.00 32.46 32.06 1bpl n ARG 146 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1bpl n GLY 147 N 2.00 2.30 0.22 5.14 0.00 0.34 -2.98 105.19 112.21 1bpl n GLY 147 Ca -0.38 -0.44 0.08 0.00 0.00 0.00 0.00 46.02 45.28 1bpl n GLY 147 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bpl n SER 148 N 9.04 2.57 -4.70 1.61 7.64 -1.26 -4.80 113.62 123.71 1bpl n SER 148 Ca 0.00 -2.83 -0.42 0.00 1.01 0.00 0.00 58.87 56.63 1bpl n SER 148 Cb 0.00 -0.36 -0.03 0.00 -1.01 0.00 0.00 64.21 62.81 1bpl n SER 148 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1bpl s THR 149 N -2.44 2.90 0.00 0.44 2.01 -1.16 -2.73 115.64 114.66 1bpl s THR 149 Ca 0.27 0.53 0.00 0.00 0.31 0.00 0.00 61.69 62.80 1bpl s THR 149 Cb 0.23 -3.34 0.00 0.00 0.01 0.00 0.00 72.50 69.40 1bpl s THR 149 CO 0.04 0.02 0.00 -1.22 -0.69 0.00 0.00 174.62 172.77 1bpl n TYR 150 N 4.75 0.00 -3.64 4.92 4.01 -1.26 -4.80 117.16 121.14 1bpl n TYR 150 Ca 0.15 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.82 1bpl n TYR 150 Cb 0.40 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.36 1bpl n TYR 150 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1bpl s SER 151 N 0.00 -0.51 0.00 7.72 0.15 -1.11 -5.04 113.70 114.92 1bpl s SER 151 Ca 0.00 0.89 0.22 0.00 0.70 0.00 0.00 55.95 57.76 1bpl s SER 151 Cb 0.00 1.05 0.61 0.00 -1.71 0.00 0.00 66.02 65.97 1bpl s SER 151 CO 0.00 -0.15 1.51 -0.90 1.20 0.00 0.00 173.24 174.90 1bpl n ASP 152 N 2.97 3.86 -4.72 5.45 5.68 -1.26 -4.30 116.55 124.23 1bpl n ASP 152 Ca -0.15 -2.00 -0.42 0.00 -0.50 0.00 0.00 54.79 51.72 1bpl n ASP 152 Cb 0.57 -0.45 -0.03 0.00 -1.14 0.00 0.00 41.12 40.06 1bpl n ASP 152 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 1bpl s PHE 153 N -1.05 3.32 0.00 2.11 2.19 -1.26 -5.02 117.98 118.28 1bpl s PHE 153 Ca 0.47 1.10 0.08 0.00 0.33 0.00 0.00 56.93 58.91 1bpl s PHE 153 Cb 0.25 -3.57 -0.02 0.00 -1.31 0.00 0.00 43.02 38.36 1bpl s PHE 153 CO 0.32 -1.92 -0.25 0.15 1.83 0.00 0.00 175.22 175.35 1bpl s LYS 154 N 1.05 2.03 0.04 10.12 -0.14 -1.26 -4.96 119.74 126.61 1bpl s LYS 154 Ca 0.62 -0.98 -0.11 0.00 -1.36 0.00 0.00 55.97 54.14 1bpl s LYS 154 Cb -0.34 -2.04 -0.06 0.00 -1.68 0.00 0.00 37.83 33.72 1bpl s LYS 154 CO 0.30 0.55 0.38 -1.58 -0.76 0.00 0.00 175.35 174.24 1bpl s TRP 155 N -0.69 3.63 0.05 3.18 0.52 -0.55 -4.95 118.94 120.13 1bpl s TRP 155 Ca 0.11 0.83 -0.02 0.00 0.02 0.00 0.00 56.10 57.04 1bpl s TRP 155 Cb -0.10 -2.18 -0.03 0.00 -1.15 0.00 0.00 33.47 30.01 1bpl s TRP 155 CO 0.00 0.58 -0.00 -1.01 0.02 0.00 0.00 176.95 176.54 1bpl s HIS 156 N -1.27 0.42 0.49 -1.98 3.76 -1.22 -1.97 115.29 113.53 1bpl s HIS 156 Ca 0.29 -0.90 0.38 0.00 -0.15 0.00 0.00 55.06 54.67 1bpl s HIS 156 Cb -0.15 -0.31 1.55 0.00 1.11 0.00 0.00 32.58 34.78 1bpl s HIS 156 CO 0.16 -0.36 1.63 0.11 -0.85 0.00 0.00 174.74 175.42 1bpl h TRP 157 N 3.40 0.28 0.00 1.40 5.08 -1.96 0.16 115.95 124.31 1bpl h TRP 157 Ca -0.34 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.65 1bpl h TRP 157 Cb 1.16 -0.07 0.00 0.00 -3.00 0.00 0.00 29.16 27.25 1bpl h TRP 157 CO 0.54 -0.11 0.00 0.10 -1.28 0.00 0.00 178.44 177.69 1bpl h TYR 158 N 0.05 0.00 -0.00 0.12 -0.00 -1.92 -2.20 116.97 113.01 1bpl h TYR 158 Ca 0.83 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.56 1bpl h TYR 158 Cb 2.95 0.00 0.00 0.00 0.00 0.00 0.00 36.73 39.68 1bpl h TYR 158 CO -0.00 0.00 -0.01 0.72 -0.00 0.00 0.00 178.16 178.86 1bpl n HIS 159 N -2.40 0.00 -4.48 0.10 8.25 0.56 -4.60 115.22 112.65 1bpl n HIS 159 Ca 0.03 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.26 1bpl n HIS 159 Cb 0.30 -0.06 -0.10 0.00 1.12 0.00 0.00 29.99 31.24 1bpl n HIS 159 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1bpl s PHE 160 N -2.13 2.14 -0.14 4.41 0.08 -0.83 -5.04 117.98 116.46 1bpl s PHE 160 Ca 0.42 -0.61 0.07 0.00 0.12 0.00 0.00 56.93 56.93 1bpl s PHE 160 Cb 0.21 -1.22 -0.23 0.00 -0.57 0.00 0.00 43.02 41.22 1bpl s PHE 160 CO 0.39 0.41 0.28 -0.25 -0.10 0.00 0.00 175.22 175.95 1bpl n ASP 161 N -0.67 1.17 0.00 1.36 9.92 -1.26 -4.64 116.55 122.43 1bpl n ASP 161 Ca -0.05 0.16 0.00 0.00 -0.53 0.00 0.00 54.79 54.37 1bpl n ASP 161 Cb 0.63 -0.06 0.00 0.00 -0.64 0.00 0.00 41.12 41.05 1bpl n ASP 161 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1bpl n GLY 162 N 1.84 -1.30 3.72 0.44 0.00 -1.26 -1.19 105.19 107.45 1bpl n GLY 162 Ca -0.30 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 44.68 1bpl n GLY 162 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1bpl s THR 163 N -2.99 0.00 -0.19 2.61 -1.32 -1.07 -4.98 115.64 107.70 1bpl s THR 163 Ca 0.00 -1.21 0.15 0.00 -1.21 0.00 0.00 61.69 59.42 1bpl s THR 163 Cb 0.00 -2.22 0.43 0.00 -1.51 0.00 0.00 72.50 69.21 1bpl s THR 163 CO 0.00 0.00 1.31 0.47 -2.21 0.00 0.00 174.62 174.19 1bpl n ASP 164 N -0.58 2.81 -3.66 8.08 9.92 -1.26 -1.03 116.55 130.83 1bpl n ASP 164 Ca -0.03 -3.31 -0.10 0.00 -0.53 0.00 0.00 54.79 50.83 1bpl n ASP 164 Cb 0.60 -0.52 -0.10 0.00 -0.64 0.00 0.00 41.12 40.46 1bpl n ASP 164 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 1bpl s TRP 165 N -2.98 -0.70 -0.40 1.24 -0.11 -1.25 -2.91 118.94 111.82 1bpl s TRP 165 Ca 0.39 1.38 -0.17 0.00 1.22 0.00 0.00 56.10 58.91 1bpl s TRP 165 Cb 0.34 0.22 0.01 0.00 -1.50 0.00 0.00 33.47 32.54 1bpl s TRP 165 CO 0.03 -0.45 0.44 0.34 -4.62 0.00 0.00 176.95 172.70 1bpl s ASP 166 N 2.52 6.21 0.39 5.86 2.15 -0.08 -4.68 116.67 129.05 1bpl s ASP 166 Ca -0.01 -0.51 0.13 0.00 0.43 0.00 0.00 52.55 52.58 1bpl s ASP 166 Cb -0.12 -2.23 0.80 0.00 -0.30 0.00 0.00 42.92 41.07 1bpl s ASP 166 CO -0.12 -0.54 1.88 -0.08 -0.17 0.00 0.00 175.17 176.14 1bpl h GLU 167 N 8.67 0.02 0.63 4.34 4.57 -0.78 0.17 114.58 132.20 1bpl h GLU 167 Ca -0.27 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 57.87 1bpl h GLU 167 Cb 1.12 -0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.71 1bpl h GLU 167 CO 0.78 0.32 -0.30 0.66 -1.18 0.00 0.00 179.01 179.29 1bpl h SER 168 N 0.02 -0.72 0.41 1.04 4.64 -1.93 -3.11 113.55 113.89 1bpl h SER 168 Ca -0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1bpl h SER 168 Cb 0.55 0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1bpl h SER 168 CO 0.04 -0.46 -0.03 0.54 -0.87 0.00 0.00 176.83 176.05 1bpl n ARG 169 N -4.57 0.61 -3.82 4.77 1.74 -1.24 -4.92 116.66 109.24 1bpl n ARG 169 Ca -0.11 -0.07 -0.26 0.00 -0.77 0.00 0.00 57.85 56.64 1bpl n ARG 169 Cb 0.33 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.31 1bpl n ARG 169 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1bpl n LYS 170 N -1.13 -5.35 -4.48 5.56 5.02 0.52 -4.98 118.16 113.32 1bpl n LYS 170 Ca 0.16 0.61 -0.34 0.00 -2.02 0.00 0.00 58.31 56.72 1bpl n LYS 170 Cb 0.23 -5.37 -0.10 0.00 -0.02 0.00 0.00 35.03 29.77 1bpl n LYS 170 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1bpl s LEU 171 N -7.04 3.38 -0.45 -0.35 1.43 -0.66 -4.93 118.68 110.06 1bpl s LEU 171 Ca 0.39 0.05 -0.16 0.00 -1.03 0.00 0.00 54.13 53.38 1bpl s LEU 171 Cb -0.19 -1.76 0.05 0.00 0.03 0.00 0.00 46.19 44.31 1bpl s LEU 171 CO 0.82 0.35 0.42 0.21 0.23 0.00 0.00 176.35 178.38 1bpl s ASN 172 N -0.74 6.16 0.15 2.29 3.04 -1.26 -0.90 114.94 123.67 1bpl s ASN 172 Ca 0.11 -1.02 -0.07 0.00 0.04 0.00 0.00 52.86 51.93 1bpl s ASN 172 Cb -0.11 -2.20 -0.02 0.00 -1.54 0.00 0.00 41.25 37.38 1bpl s ASN 172 CO 0.02 -0.62 0.21 -0.13 -3.04 0.00 0.00 177.10 173.54 1bpl s ARG 173 N 1.91 1.07 -0.42 0.43 1.81 -1.15 -5.00 118.95 117.61 1bpl s ARG 173 Ca 0.08 -1.23 -0.20 0.00 -1.72 0.00 0.00 55.73 52.66 1bpl s ARG 173 Cb -0.21 0.34 0.02 0.00 -0.45 0.00 0.00 34.95 34.65 1bpl s ARG 173 CO 0.10 -0.36 0.58 0.42 -0.68 0.00 0.00 175.30 175.36 1bpl s ILE 174 N -3.98 4.91 -0.05 1.52 -1.09 -1.26 -3.89 121.20 117.36 1bpl s ILE 174 Ca 0.18 0.06 -0.01 0.00 -2.23 0.00 0.00 60.65 58.65 1bpl s ILE 174 Cb 0.05 -4.14 -0.04 0.00 -1.58 0.00 0.00 42.46 36.75 1bpl s ILE 174 CO -0.00 -0.50 0.04 -0.31 -1.23 0.00 0.00 174.94 172.93 1bpl s TYR 175 N 2.62 3.22 -0.18 3.97 2.02 -0.20 -1.55 117.35 127.25 1bpl s TYR 175 Ca 0.20 0.20 0.01 0.00 -0.37 0.00 0.00 57.07 57.11 1bpl s TYR 175 Cb -0.15 -1.76 0.03 0.00 -0.40 0.00 0.00 41.96 39.68 1bpl s TYR 175 CO 0.17 0.51 -0.14 0.15 -1.57 0.00 0.00 175.55 174.68 1bpl s LYS 176 N -1.28 2.34 0.16 -0.62 -0.14 -0.69 -2.58 119.74 116.93 1bpl s LYS 176 Ca 0.17 -0.76 -0.31 0.00 -1.36 0.00 0.00 55.97 53.72 1bpl s LYS 176 Cb -0.12 -2.35 -0.09 0.00 -1.68 0.00 0.00 37.83 33.59 1bpl s LYS 176 CO 0.07 -0.32 1.50 -0.06 -0.76 0.00 0.00 175.35 175.79 1bpl s PHE 177 N 1.39 3.11 0.13 3.18 0.08 -0.33 -2.14 117.98 123.41 1bpl s PHE 177 Ca 0.02 0.76 0.02 0.00 0.12 0.00 0.00 56.93 57.85 1bpl s PHE 177 Cb -0.14 -3.85 0.02 0.00 -0.57 0.00 0.00 43.02 38.48 1bpl s PHE 177 CO -0.10 -3.05 0.17 1.04 -0.10 0.00 0.00 175.22 173.19 1bpl n GLN 178 N 3.79 0.94 -1.19 0.44 1.13 0.14 -3.93 117.38 118.70 1bpl n GLN 178 Ca 0.12 -0.71 -0.06 0.00 -1.94 0.00 0.00 57.00 54.41 1bpl n GLN 178 Cb 0.40 -0.04 -0.03 0.00 0.11 0.00 0.00 30.24 30.68 1bpl n GLN 178 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bpl n GLY 179 N 3.42 0.87 1.65 1.08 0.00 -1.26 -4.08 105.19 106.88 1bpl n GLY 179 Ca 0.03 -0.59 -0.01 0.00 0.00 0.00 0.00 46.02 45.45 1bpl n GLY 179 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1bpl n LYS 180 N -2.59 -0.29 0.00 1.61 4.81 -1.26 -5.11 118.16 115.32 1bpl n LYS 180 Ca -0.06 0.70 0.11 0.00 -0.87 0.00 0.00 58.31 58.18 1bpl n LYS 180 Cb 0.24 -1.93 0.09 0.00 0.02 0.00 0.00 35.03 33.45 1bpl n LYS 180 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57