#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bvl s HIS 1004N 0.00 3.56 0.10 -1.40 5.65 -1.26 -5.08 115.29 116.86 3bvl s HIS 1004Ca 0.00 1.06 0.06 0.00 0.25 0.00 0.00 55.06 56.43 3bvl s HIS 1004Cb 0.00 -2.65 -0.04 0.00 -1.18 0.00 0.00 32.58 28.71 3bvl s HIS 1004CO 0.00 0.17 -0.04 -1.12 -0.65 0.00 0.00 174.74 173.10 3bvl s SER 1003N 0.54 4.75 0.49 9.88 0.01 -1.26 -5.11 113.70 123.00 3bvl s SER 1003Ca 0.31 -0.27 -0.23 0.00 1.31 0.00 0.00 55.95 57.07 3bvl s SER 1003Cb -0.16 -1.04 -0.07 0.00 0.21 0.00 0.00 66.02 64.96 3bvl s SER 1003CO 0.14 0.17 1.25 -1.10 0.41 0.00 0.00 173.24 174.11 3bvl s GLN 1002N -2.28 3.55 0.86 12.44 -1.52 -1.26 -4.99 119.66 126.47 3bvl s GLN 1002Ca 0.24 1.98 -0.11 0.00 -1.95 0.00 0.00 55.36 55.51 3bvl s GLN 1002Cb -0.11 -2.38 0.12 0.00 -0.22 0.00 0.00 33.01 30.41 3bvl s GLN 1002CO 0.16 -0.78 1.16 -0.51 -0.25 0.00 0.00 175.29 175.07 3bvl s ASP 1001N -1.16 3.31 0.37 5.90 1.01 -1.26 -4.93 116.67 119.91 3bvl s ASP 1001Ca 0.66 2.20 -0.26 0.00 0.71 0.00 0.00 52.55 55.86 3bvl s ASP 1001Cb -0.34 -2.57 -0.12 0.00 1.01 0.00 0.00 42.92 40.91 3bvl s ASP 1001CO 0.41 -2.84 1.07 -2.65 0.21 0.00 0.00 175.17 171.37 3bvl n PRO 0 N -3.86 1.53 0.00 8.23 -0.02 -1.24 -4.83 135.00 134.81 3bvl n PRO 0 Ca 0.12 0.54 0.12 0.00 -2.02 0.00 0.00 63.50 62.27 3bvl n PRO 0 Cb 0.52 -2.06 0.29 0.00 -0.02 0.00 0.00 33.50 32.22 3bvl n PRO 0 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3bvl n MET 1 N 0.37 0.88 -4.24 -0.52 2.81 0.16 -4.89 117.12 111.68 3bvl n MET 1 Ca 0.08 -0.58 -0.24 0.00 -1.81 0.00 0.00 57.70 55.16 3bvl n MET 1 Cb 0.37 -1.49 -0.07 0.00 -0.71 0.00 0.00 33.22 31.32 3bvl n MET 1 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3bvl s LEU 2 N -2.52 3.32 0.68 4.03 1.43 -1.26 -5.12 118.68 119.23 3bvl s LEU 2 Ca 0.22 -0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 52.69 3bvl s LEU 2 Cb 0.19 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.53 3bvl s LEU 2 CO 0.54 0.03 1.07 -0.94 0.23 0.00 0.00 176.35 177.27 3bvl s SER 3 N -3.45 5.35 0.25 2.29 1.04 -1.26 -4.82 113.70 113.09 3bvl s SER 3 Ca 0.30 1.71 -0.04 0.00 0.48 0.00 0.00 55.95 58.40 3bvl s SER 3 Cb -0.08 -2.51 0.38 0.00 0.10 0.00 0.00 66.02 63.91 3bvl s SER 3 CO 0.20 -1.46 1.83 0.11 0.98 0.00 0.00 173.24 174.90 3bvl h LYS 4 N -0.46 0.88 -0.54 4.02 1.57 -1.99 -0.37 116.57 119.68 3bvl h LYS 4 Ca -0.45 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.23 3bvl h LYS 4 Cb 1.22 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.31 3bvl h LYS 4 CO 0.56 0.58 0.13 -0.44 -0.57 0.00 0.00 179.45 179.71 3bvl h ASP 5 N 0.90 0.83 -0.40 0.86 3.45 -2.00 -1.44 116.42 118.62 3bvl h ASP 5 Ca 0.39 -0.23 -0.15 0.00 0.43 0.00 0.00 57.03 57.47 3bvl h ASP 5 Cb 0.27 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.82 3bvl h ASP 5 CO -0.21 0.84 -0.35 0.40 -1.57 0.00 0.00 179.24 178.36 3bvl h ILE 6 N 0.77 1.27 -0.38 0.35 1.08 -1.82 -1.95 117.51 116.83 3bvl h ILE 6 Ca 0.17 -1.52 0.05 0.00 -0.39 0.00 0.00 64.86 63.17 3bvl h ILE 6 Cb 0.34 1.32 -0.04 0.00 -3.07 0.00 0.00 36.82 35.37 3bvl h ILE 6 CO 0.00 0.51 0.11 0.40 -0.69 0.00 0.00 178.15 178.49 3bvl h ILE 7 N 0.79 0.86 -0.18 -0.67 2.04 -0.98 -0.59 117.51 118.78 3bvl h ILE 7 Ca 0.07 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 3bvl h ILE 7 Cb 0.94 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 3bvl h ILE 7 CO 0.09 0.05 0.11 0.50 0.00 0.00 0.00 178.15 178.89 3bvl h LYS 8 N 0.26 0.24 -0.70 2.37 3.64 -1.12 -1.27 116.57 119.99 3bvl h LYS 8 Ca 0.18 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.47 3bvl h LYS 8 Cb 0.17 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 3bvl h LYS 8 CO -0.20 0.21 0.18 -0.07 -2.27 0.00 0.00 179.45 177.30 3bvl h LEU 9 N 0.21 1.06 -0.29 5.20 3.38 -1.15 -0.98 115.31 122.74 3bvl h LEU 9 Ca 0.06 -0.23 -0.14 0.00 0.09 0.00 0.00 57.88 57.67 3bvl h LEU 9 Cb 0.03 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 3bvl h LEU 9 CO -0.01 1.01 -0.36 -0.07 0.09 0.00 0.00 178.44 179.11 3bvl h LEU 10 N 1.06 0.82 -0.66 1.67 3.38 -0.99 -1.50 115.31 119.07 3bvl h LEU 10 Ca 0.22 -0.49 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 3bvl h LEU 10 Cb 0.36 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3bvl h LEU 10 CO 0.00 1.15 0.33 0.78 0.09 0.00 0.00 178.44 180.79 3bvl h ASN 11 N 0.51 0.86 -0.82 -0.43 2.35 -1.13 -1.35 115.58 115.56 3bvl h ASN 11 Ca 0.04 -0.12 0.04 0.00 -0.55 0.00 0.00 56.30 55.70 3bvl h ASN 11 Cb 0.94 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 39.05 3bvl h ASN 11 CO 0.09 0.74 0.54 -0.33 -1.65 0.00 0.00 177.43 176.81 3bvl h GLU 12 N 0.92 0.98 -0.46 0.81 5.08 -1.12 -2.66 114.58 118.13 3bvl h GLU 12 Ca 0.23 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.41 3bvl h GLU 12 Cb 0.10 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 3bvl h GLU 12 CO -0.03 0.65 -0.19 0.37 -1.00 0.00 0.00 179.01 178.81 3bvl h GLN 13 N 1.01 0.90 -0.24 2.33 5.75 -0.58 -0.54 115.11 123.74 3bvl h GLN 13 Ca 0.33 -0.35 0.02 0.00 -0.15 0.00 0.00 58.65 58.49 3bvl h GLN 13 Cb 0.04 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 3bvl h GLN 13 CO -0.10 1.00 0.10 0.28 -2.65 0.00 0.00 178.83 177.46 3bvl h VAL 14 N 0.78 0.96 -0.47 2.39 2.07 -0.99 -0.80 116.25 120.19 3bvl h VAL 14 Ca 0.11 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 67.49 3bvl h VAL 14 Cb 0.73 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 3bvl h VAL 14 CO 0.06 0.04 0.02 0.78 0.02 0.00 0.00 177.57 178.49 3bvl h ASN 15 N 0.22 0.73 -0.66 0.57 2.35 -1.22 -1.65 115.58 115.91 3bvl h ASN 15 Ca 0.10 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3bvl h ASN 15 Cb 0.05 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.20 3bvl h ASN 15 CO -0.09 0.78 0.42 0.11 -1.65 0.00 0.00 177.43 176.99 3bvl h LYS 16 N 0.72 0.88 -0.43 0.81 1.57 -0.72 -0.17 116.57 119.23 3bvl h LYS 16 Ca 0.15 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.74 3bvl h LYS 16 Cb 0.41 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3bvl h LYS 16 CO 0.01 0.61 -0.20 0.93 -0.57 0.00 0.00 179.45 180.23 3bvl h GLU 17 N 0.89 0.85 -0.36 3.15 4.39 -0.81 -0.09 114.58 122.60 3bvl h GLU 17 Ca 0.24 -0.34 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 3bvl h GLU 17 Cb -0.06 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 3bvl h GLU 17 CO -0.05 0.97 0.15 0.52 -1.16 0.00 0.00 179.01 179.44 3bvl h MET 18 N 0.74 0.54 -0.74 2.33 2.86 -1.10 -0.76 114.93 118.80 3bvl h MET 18 Ca 0.10 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 3bvl h MET 18 Cb 0.73 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.26 3bvl h MET 18 CO 0.06 0.52 0.42 -0.97 1.06 0.00 0.00 176.91 178.00 3bvl h ASN 19 N 0.44 0.91 -0.49 1.22 -1.24 -0.86 -2.40 115.58 113.17 3bvl h ASN 19 Ca 0.12 -0.08 0.04 0.00 0.71 0.00 0.00 56.30 57.09 3bvl h ASN 19 Cb 0.18 -0.23 -0.04 0.00 0.73 0.00 0.00 38.32 38.96 3bvl h ASN 19 CO -0.01 0.73 0.24 0.28 -1.29 0.00 0.00 177.43 177.38 3bvl h SER 20 N 1.02 0.34 -0.50 1.15 0.02 -0.71 -0.94 113.55 113.93 3bvl h SER 20 Ca 0.26 0.03 0.06 0.00 -0.84 0.00 0.00 61.79 61.30 3bvl h SER 20 Cb 0.01 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.46 3bvl h SER 20 CO -0.05 0.24 0.20 -1.28 -1.14 0.00 0.00 176.83 174.81 3bvl h SER 21 N 0.47 0.24 -0.44 3.07 0.87 -0.85 -0.41 113.55 116.51 3bvl h SER 21 Ca 0.21 0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.79 3bvl h SER 21 Cb 0.13 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 3bvl h SER 21 CO -0.15 0.17 0.16 0.78 -0.53 0.00 0.00 176.83 177.26 3bvl h ASN 22 N 0.40 0.62 -0.41 6.23 2.35 -1.02 -1.00 115.58 122.75 3bvl h ASN 22 Ca 0.23 -0.18 0.05 0.00 -0.55 0.00 0.00 56.30 55.85 3bvl h ASN 22 Cb 0.21 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.38 3bvl h ASN 22 CO -0.21 0.63 0.16 0.25 -1.65 0.00 0.00 177.43 176.61 3bvl h LEU 23 N 0.57 0.19 -0.80 1.61 5.85 -0.77 -1.10 115.31 120.86 3bvl h LEU 23 Ca 0.14 0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.79 3bvl h LEU 23 Cb 0.22 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3bvl h LEU 23 CO -0.01 0.15 -0.28 1.88 -0.34 0.00 0.00 178.44 179.83 3bvl h TYR 24 N 0.33 0.66 -0.89 1.25 0.05 -0.90 0.17 116.97 117.65 3bvl h TYR 24 Ca 0.19 -0.16 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 3bvl h TYR 24 Cb 0.15 -0.16 -0.04 0.00 1.01 0.00 0.00 36.73 37.70 3bvl h TYR 24 CO -0.14 0.80 0.50 0.52 -1.05 0.00 0.00 178.16 178.79 3bvl h MET 25 N 0.50 1.23 -0.21 4.88 2.86 -0.87 0.18 114.93 123.51 3bvl h MET 25 Ca 0.07 -0.14 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 3bvl h MET 25 Cb 0.75 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 3bvl h MET 25 CO 0.06 0.89 -0.05 1.03 1.06 0.00 0.00 176.91 179.90 3bvl h SER 26 N 1.23 0.40 -0.80 1.22 0.87 -0.72 -0.58 113.55 115.17 3bvl h SER 26 Ca 0.31 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 3bvl h SER 26 Cb 0.01 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 61.82 3bvl h SER 26 CO -0.05 0.67 0.51 0.24 -0.53 0.00 0.00 176.83 177.67 3bvl h MET 27 N 0.12 1.06 -0.23 2.24 2.07 -0.81 -1.89 114.93 117.49 3bvl h MET 27 Ca 0.05 -0.08 0.03 0.00 -2.07 0.00 0.00 59.70 57.63 3bvl h MET 27 Cb 0.50 -0.23 -0.03 0.00 -1.87 0.00 0.00 31.60 29.97 3bvl h MET 27 CO 0.02 0.72 0.06 1.03 1.07 0.00 0.00 176.91 179.81 3bvl h SER 28 N 1.08 0.05 -0.89 1.22 0.87 -0.48 -2.20 113.55 113.20 3bvl h SER 28 Ca 0.29 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.89 3bvl h SER 28 Cb -0.09 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 61.85 3bvl h SER 28 CO -0.06 0.06 0.58 -1.28 -0.53 0.00 0.00 176.83 175.60 3bvl h SER 29 N 0.16 1.03 -0.42 6.23 0.87 -0.80 -0.64 113.55 119.98 3bvl h SER 29 Ca 0.10 -0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.66 3bvl h SER 29 Cb 0.09 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 61.75 3bvl h SER 29 CO -0.12 0.76 0.21 -0.25 -0.53 0.00 0.00 176.83 176.90 3bvl h TRP 30 N 1.21 0.39 -0.13 2.24 7.01 -1.07 -0.76 115.95 124.85 3bvl h TRP 30 Ca 0.32 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.34 3bvl h TRP 30 Cb -0.12 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 26.82 3bvl h TRP 30 CO -0.01 0.20 0.07 0.00 -2.79 0.00 0.00 178.44 175.91 3bvl h TYR 32 N 0.10 1.07 -0.01 0.00 -1.99 -0.84 0.23 116.97 115.54 3bvl h TYR 32 Ca 0.04 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.80 3bvl h TYR 32 Cb 0.08 -0.35 0.00 0.00 2.00 0.00 0.00 36.73 38.46 3bvl h TYR 32 CO -0.04 0.55 -0.04 0.25 -0.00 0.00 0.00 178.16 178.88 3bvl n THR 33 N -4.49 0.00 -1.68 -2.88 -2.24 -0.32 -3.38 114.28 99.30 3bvl n THR 33 Ca 0.14 -0.09 0.04 0.00 -2.27 0.00 0.00 64.05 61.87 3bvl n THR 33 Cb 0.20 -0.07 0.19 0.00 -2.10 0.00 0.00 70.33 68.56 3bvl n THR 33 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3bvl n HIS 34 N -0.66 0.13 -1.28 4.78 8.25 -0.70 -4.98 115.22 120.77 3bvl n HIS 34 Ca 0.19 -1.48 -0.09 0.00 -0.26 0.00 0.00 57.72 56.08 3bvl n HIS 34 Cb 0.24 -0.25 -0.04 0.00 1.12 0.00 0.00 29.99 31.06 3bvl n HIS 34 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3bvl n SER 35 N -1.00 -4.71 -3.65 0.41 7.64 -1.12 -4.93 113.62 106.25 3bvl n SER 35 Ca 0.19 0.24 -0.36 0.00 1.01 0.00 0.00 58.87 59.95 3bvl n SER 35 Cb 0.73 -3.04 -0.02 0.00 -1.01 0.00 0.00 64.21 60.86 3bvl n SER 35 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3bvl n LEU 36 N -1.08 5.60 0.22 -3.43 4.77 -0.01 -4.85 117.00 118.20 3bvl n LEU 36 Ca -0.09 -5.37 0.15 0.00 -0.03 0.00 0.00 56.01 50.66 3bvl n LEU 36 Cb 0.41 -1.00 0.49 0.00 -2.33 0.00 0.00 43.42 40.99 3bvl n LEU 36 CO 0.14 1.94 0.91 -2.24 -1.33 0.00 0.00 177.39 176.81 3bvl h ASP 37 N 4.58 0.00 0.25 -1.43 2.03 -1.87 -0.40 116.42 119.57 3bvl h ASP 37 Ca 0.25 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.54 3bvl h ASP 37 Cb 0.56 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.07 3bvl h ASP 37 CO 1.11 0.00 -0.12 1.23 -1.03 0.00 0.00 179.24 180.43 3bvl h GLY 38 N 2.85 -0.35 1.40 7.15 0.00 -1.89 -0.79 103.07 111.44 3bvl h GLY 38 Ca 0.00 0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.39 3bvl h GLY 38 CO 0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 176.54 176.41 3bvl h ALA 39 N 0.09 1.15 -0.29 3.60 0.00 -1.71 -1.86 119.26 120.24 3bvl h ALA 39 Ca -0.03 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.66 3bvl h ALA 39 Cb 0.43 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3bvl h ALA 39 CO 0.06 0.55 0.09 0.78 0.00 0.00 0.00 179.25 180.73 3bvl h GLY 40 N 0.95 0.35 0.82 0.00 0.00 -1.01 -0.44 103.07 103.75 3bvl h GLY 40 Ca 0.14 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 3bvl h GLY 40 CO 0.02 0.02 0.02 -2.00 0.00 0.00 0.00 176.54 174.60 3bvl h LEU 41 N 0.22 0.30 -0.27 3.11 5.85 -0.98 -1.18 115.31 122.37 3bvl h LEU 41 Ca 0.13 -0.28 0.06 0.00 0.84 0.00 0.00 57.88 58.62 3bvl h LEU 41 Cb 0.10 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 3bvl h LEU 41 CO -0.14 0.51 -0.09 0.15 -0.34 0.00 0.00 178.44 178.53 3bvl h PHE 42 N 0.08 -0.21 -0.18 1.25 3.57 -1.18 -1.09 116.94 119.18 3bvl h PHE 42 Ca 0.05 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.44 3bvl h PHE 42 Cb 0.34 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 3bvl h PHE 42 CO 0.03 -0.15 -0.46 -0.07 -2.23 0.00 0.00 178.31 175.43 3bvl h LEU 43 N -0.04 0.49 -0.02 0.59 3.38 -1.01 -1.03 115.31 117.68 3bvl h LEU 43 Ca 0.13 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3bvl h LEU 43 Cb 0.24 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 3bvl h LEU 43 CO -0.30 0.88 0.01 0.15 0.09 0.00 0.00 178.44 179.28 3bvl h PHE 44 N 0.37 0.03 -0.67 1.13 3.57 -0.96 -0.20 116.94 120.21 3bvl h PHE 44 Ca 0.02 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 3bvl h PHE 44 Cb 0.95 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.65 3bvl h PHE 44 CO 0.03 0.06 0.23 -0.44 -2.23 0.00 0.00 178.31 175.97 3bvl h ASP 45 N -0.01 0.94 -0.53 0.41 3.32 -1.05 -1.99 116.42 117.50 3bvl h ASP 45 Ca 0.01 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 3bvl h ASP 45 Cb 0.04 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 3bvl h ASP 45 CO -0.00 0.86 0.24 -0.74 -1.72 0.00 0.00 179.24 177.88 3bvl h HIS 46 N 0.98 0.77 -0.57 4.55 2.76 -1.06 -1.94 115.15 120.63 3bvl h HIS 46 Ca 0.22 -0.04 0.06 0.00 -2.20 0.00 0.00 60.37 58.41 3bvl h HIS 46 Cb 0.24 -0.24 -0.05 0.00 1.55 0.00 0.00 27.41 28.91 3bvl h HIS 46 CO 0.02 0.61 0.28 0.00 -1.30 0.00 0.00 177.93 177.53 3bvl h ALA 47 N 1.08 0.75 -0.72 5.26 0.00 -0.57 -1.26 119.26 123.80 3bvl h ALA 47 Ca 0.18 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3bvl h ALA 47 Cb 0.14 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3bvl h ALA 47 CO -0.02 -0.09 0.39 0.00 0.00 0.00 0.00 179.25 179.53 3bvl h ALA 48 N 1.33 1.33 -0.36 0.00 0.00 -1.20 -2.41 119.26 117.95 3bvl h ALA 48 Ca 0.27 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3bvl h ALA 48 Cb 0.22 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3bvl h ALA 48 CO -0.21 0.55 -0.10 1.49 0.00 0.00 0.00 179.25 180.98 3bvl h GLU 49 N 1.01 0.62 -0.59 0.00 4.57 -0.47 -1.79 114.58 117.93 3bvl h GLU 49 Ca 0.25 -0.18 -0.08 0.00 -1.18 0.00 0.00 59.36 58.17 3bvl h GLU 49 Cb 0.04 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 3bvl h GLU 49 CO -0.04 0.71 0.07 0.93 -1.18 0.00 0.00 179.01 179.50 3bvl h GLU 50 N 0.57 0.97 -0.62 1.92 4.39 -0.82 -1.63 114.58 119.37 3bvl h GLU 50 Ca 0.10 -0.26 -0.04 0.00 0.34 0.00 0.00 59.36 59.51 3bvl h GLU 50 Cb 0.51 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.02 3bvl h GLU 50 CO 0.03 0.92 0.22 -0.92 -1.16 0.00 0.00 179.01 178.10 3bvl h TYR 51 N 0.91 0.94 -0.97 4.33 3.20 -1.18 -1.80 116.97 122.41 3bvl h TYR 51 Ca 0.18 -0.07 0.03 0.00 3.14 0.00 0.00 58.73 62.01 3bvl h TYR 51 Cb 0.44 -0.28 -0.05 0.00 1.54 0.00 0.00 36.73 38.37 3bvl h TYR 51 CO 0.03 0.74 0.64 0.93 -1.64 0.00 0.00 178.16 178.86 3bvl h GLU 52 N 0.90 1.22 -0.55 1.82 4.39 -0.76 -0.84 114.58 120.77 3bvl h GLU 52 Ca 0.21 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 3bvl h GLU 52 Cb 0.22 -0.28 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 3bvl h GLU 52 CO -0.01 0.81 0.32 0.45 -1.16 0.00 0.00 179.01 179.42 3bvl h HIS 53 N 1.26 0.73 -0.53 4.33 3.86 -0.81 -1.62 115.15 122.38 3bvl h HIS 53 Ca 0.37 -0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.62 3bvl h HIS 53 Cb -0.06 -0.24 -0.05 0.00 1.06 0.00 0.00 27.41 28.13 3bvl h HIS 53 CO -0.00 0.51 0.27 0.00 0.86 0.00 0.00 177.93 179.57 3bvl h ALA 54 N 1.16 0.68 -0.72 2.45 0.00 -0.81 -1.60 119.26 120.41 3bvl h ALA 54 Ca 0.20 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3bvl h ALA 54 Cb 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3bvl h ALA 54 CO -0.04 -0.07 0.38 0.87 0.00 0.00 0.00 179.25 180.39 3bvl h LYS 55 N 0.52 1.01 -0.40 0.00 1.57 -0.87 -0.61 116.57 117.78 3bvl h LYS 55 Ca 0.23 -0.12 -0.08 0.00 -1.87 0.00 0.00 60.65 58.81 3bvl h LYS 55 Cb 0.14 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 3bvl h LYS 55 CO -0.16 0.76 -0.07 0.87 -0.57 0.00 0.00 179.45 180.28 3bvl h LYS 56 N 0.99 0.68 -0.52 3.15 1.57 -0.99 -0.34 116.57 121.10 3bvl h LYS 56 Ca 0.25 -0.20 -0.12 0.00 -1.87 0.00 0.00 60.65 58.72 3bvl h LYS 56 Cb 0.05 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3bvl h LYS 56 CO -0.04 0.74 -0.14 -0.07 -0.57 0.00 0.00 179.45 179.38 3bvl h LEU 57 N 0.63 1.03 -0.48 2.94 3.38 -0.99 -2.59 115.31 119.23 3bvl h LEU 57 Ca 0.12 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 3bvl h LEU 57 Cb 0.50 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3bvl h LEU 57 CO 0.03 1.16 0.29 0.40 0.09 0.00 0.00 178.44 180.41 3bvl h ILE 58 N 0.89 1.15 -0.52 1.22 2.04 -0.58 -1.57 117.51 120.13 3bvl h ILE 58 Ca 0.13 -0.32 0.07 0.00 1.00 0.00 0.00 64.86 65.74 3bvl h ILE 58 Cb 0.71 0.50 -0.06 0.00 -0.74 0.00 0.00 36.82 37.23 3bvl h ILE 58 CO 0.05 0.15 0.18 0.40 0.00 0.00 0.00 178.15 178.93 3bvl h ILE 59 N 0.64 0.80 -0.72 -0.67 2.04 -0.99 0.71 117.51 119.33 3bvl h ILE 59 Ca 0.17 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 3bvl h ILE 59 Cb -0.02 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.46 3bvl h ILE 59 CO -0.03 0.06 0.37 0.15 0.00 0.00 0.00 178.15 178.70 3bvl h PHE 60 N 0.35 1.01 -0.09 1.37 3.57 -1.16 -0.59 116.94 121.40 3bvl h PHE 60 Ca 0.25 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.72 3bvl h PHE 60 Cb 0.29 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 38.70 3bvl h PHE 60 CO -0.17 0.73 0.05 -0.07 -2.23 0.00 0.00 178.31 176.62 3bvl h LEU 61 N 1.00 0.12 -0.60 0.59 3.38 -0.69 -2.57 115.31 116.53 3bvl h LEU 61 Ca 0.25 -0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.21 3bvl h LEU 61 Cb 0.07 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 3bvl h LEU 61 CO -0.04 0.18 0.26 0.78 0.09 0.00 0.00 178.44 179.71 3bvl h ASN 62 N 0.05 0.32 0.46 -0.43 2.35 -0.59 -0.86 115.58 116.88 3bvl h ASN 62 Ca 0.03 0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.79 3bvl h ASN 62 Cb 0.09 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 3bvl h ASN 62 CO -0.00 0.20 -0.24 1.05 -1.65 0.00 0.00 177.43 176.79 3bvl h GLU 63 N 0.48 0.00 -0.50 0.81 4.11 -0.99 -2.02 114.58 116.48 3bvl h GLU 63 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.72 3bvl h GLU 63 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3bvl h GLU 63 CO -0.25 0.24 0.00 0.09 0.07 0.00 0.00 179.01 179.15 3bvl n ASN 64 N -3.80 2.49 -3.14 3.06 3.02 -0.85 -4.92 115.26 111.12 3bvl n ASN 64 Ca -0.02 -2.13 -0.22 0.00 -0.03 0.00 0.00 54.58 52.18 3bvl n ASN 64 Cb 0.34 -0.35 0.02 0.00 -0.61 0.00 0.00 39.78 39.17 3bvl n ASN 64 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3bvl n ASN 65 N 0.57 -5.02 -4.57 6.41 4.13 -0.76 -0.67 115.26 115.36 3bvl n ASN 65 Ca 0.14 -0.31 -0.38 0.00 1.68 0.00 0.00 54.58 55.71 3bvl n ASN 65 Cb 0.44 -4.10 -0.11 0.00 -1.54 0.00 0.00 39.78 34.48 3bvl n ASN 65 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3bvl s VAL 66 N -3.05 5.12 0.21 2.41 1.01 -0.39 -3.67 120.40 122.04 3bvl s VAL 66 Ca 0.33 0.10 -0.32 0.00 0.00 0.00 0.00 61.98 62.10 3bvl s VAL 66 Cb -0.16 -3.43 -0.12 0.00 0.00 0.00 0.00 36.38 32.67 3bvl s VAL 66 CO 0.41 0.28 1.71 -2.84 0.00 0.00 0.00 175.10 174.66 3bvl s PRO 67 N 1.67 4.12 -0.00 2.72 0.02 -1.26 -4.16 135.00 138.11 3bvl s PRO 67 Ca 0.07 2.61 -0.30 0.00 0.02 0.00 0.00 61.00 63.39 3bvl s PRO 67 Cb -0.16 -3.07 -0.04 0.00 0.02 0.00 0.00 34.50 31.26 3bvl s PRO 67 CO 0.09 -0.74 1.11 0.08 -0.33 0.00 0.00 177.00 177.21 3bvl s VAL 68 N 1.08 4.41 -0.60 3.83 1.01 -1.26 -5.00 120.40 123.87 3bvl s VAL 68 Ca 0.74 1.73 -0.01 0.00 0.00 0.00 0.00 61.98 64.43 3bvl s VAL 68 Cb -0.50 -4.11 0.15 0.00 0.00 0.00 0.00 36.38 31.93 3bvl s VAL 68 CO 0.33 0.09 0.40 -1.10 0.00 0.00 0.00 175.10 174.82 3bvl s GLN 69 N 1.40 2.44 -0.20 2.72 -0.21 -1.26 -5.06 119.66 119.49 3bvl s GLN 69 Ca 0.55 -2.55 -0.23 0.00 0.02 0.00 0.00 55.36 53.15 3bvl s GLN 69 Cb -0.25 -3.64 -0.02 0.00 1.00 0.00 0.00 33.01 30.10 3bvl s GLN 69 CO 0.26 -1.16 0.72 -0.51 -2.12 0.00 0.00 175.29 172.49 3bvl s LEU 70 N -0.12 4.14 0.58 2.90 1.43 -1.26 -4.86 118.68 121.48 3bvl s LEU 70 Ca 0.17 0.96 0.09 0.00 -1.03 0.00 0.00 54.13 54.32 3bvl s LEU 70 Cb -0.21 -3.04 0.08 0.00 0.03 0.00 0.00 46.19 43.04 3bvl s LEU 70 CO -0.03 -0.36 0.70 0.42 0.23 0.00 0.00 176.35 177.31 3bvl s THR 71 N 2.19 1.95 0.30 5.49 -4.23 -1.26 -5.05 115.64 115.03 3bvl s THR 71 Ca 0.32 -1.13 -0.30 0.00 -1.18 0.00 0.00 61.69 59.40 3bvl s THR 71 Cb -0.16 -2.08 -0.12 0.00 1.34 0.00 0.00 72.50 71.48 3bvl s THR 71 CO 0.10 0.00 1.50 -1.54 -0.54 0.00 0.00 174.62 174.15 3bvl n SER 72 N -2.14 3.50 -4.27 3.99 3.41 -1.26 -4.97 113.62 111.89 3bvl n SER 72 Ca 0.11 1.17 -0.41 0.00 -0.26 0.00 0.00 58.87 59.48 3bvl n SER 72 Cb 0.62 -1.55 -0.09 0.00 -0.26 0.00 0.00 64.21 62.93 3bvl n SER 72 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3bvl s ILE 73 N -0.35 4.33 0.54 -1.33 -1.09 -1.26 -5.08 121.20 116.97 3bvl s ILE 73 Ca 0.62 -1.45 -0.21 0.00 -2.23 0.00 0.00 60.65 57.37 3bvl s ILE 73 Cb -0.53 -3.69 -0.05 0.00 -1.58 0.00 0.00 42.46 36.61 3bvl s ILE 73 CO 0.53 -0.58 1.30 -0.44 -1.23 0.00 0.00 174.94 174.53 3bvl s SER 74 N 2.31 5.35 0.31 3.58 0.01 -1.26 -4.94 113.70 119.06 3bvl s SER 74 Ca 0.04 2.64 -0.29 0.00 1.31 0.00 0.00 55.95 59.64 3bvl s SER 74 Cb -0.24 -2.62 -0.12 0.00 0.21 0.00 0.00 66.02 63.24 3bvl s SER 74 CO 0.02 -1.50 1.40 0.00 0.41 0.00 0.00 173.24 173.56 3bvl n ALA 75 N -1.07 1.59 -1.75 1.44 0.00 -1.26 -4.97 120.51 114.49 3bvl n ALA 75 Ca 0.11 0.37 -0.31 0.00 0.00 0.00 0.00 53.44 53.61 3bvl n ALA 75 Cb 0.46 -2.31 0.04 0.00 0.00 0.00 0.00 19.45 17.64 3bvl n ALA 75 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3bvl s PRO 76 N -1.28 3.07 0.34 0.00 0.04 -1.26 -5.00 135.00 130.92 3bvl s PRO 76 Ca 0.60 0.74 -0.28 0.00 0.04 0.00 0.00 61.00 62.10 3bvl s PRO 76 Cb -0.57 -2.02 -0.12 0.00 0.04 0.00 0.00 34.50 31.83 3bvl s PRO 76 CO 0.57 -0.95 1.25 0.39 0.04 0.00 0.00 177.00 178.31 3bvl n GLU 77 N -3.00 2.02 0.00 4.56 1.02 -1.26 -4.92 120.64 119.07 3bvl n GLU 77 Ca 0.07 0.71 0.00 0.00 -0.02 0.00 0.00 57.16 57.92 3bvl n GLU 77 Cb 0.55 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 29.69 3bvl n GLU 77 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 3bvl n HIS 78 N 0.27 0.00 -2.94 -0.32 1.44 -1.26 -4.71 115.22 107.69 3bvl n HIS 78 Ca 0.05 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.34 3bvl n HIS 78 Cb 0.36 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.42 3bvl n HIS 78 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 3bvl s LYS 79 N -1.04 3.82 0.06 -1.40 1.02 -1.26 -4.96 119.74 115.98 3bvl s LYS 79 Ca 0.00 0.41 0.04 0.00 0.02 0.00 0.00 55.97 56.44 3bvl s LYS 79 Cb 0.00 -3.78 -0.03 0.00 -0.52 0.00 0.00 37.83 33.50 3bvl s LYS 79 CO 0.00 -0.80 -0.12 -0.06 -0.92 0.00 0.00 175.35 173.45 3bvl s PHE 80 N 3.08 1.02 -0.10 3.18 0.40 -1.26 -5.06 117.98 119.24 3bvl s PHE 80 Ca 0.32 -0.47 0.07 0.00 -0.60 0.00 0.00 56.93 56.25 3bvl s PHE 80 Cb -0.13 -0.58 -0.24 0.00 0.51 0.00 0.00 43.02 42.58 3bvl s PHE 80 CO 0.16 0.01 0.45 0.39 0.70 0.00 0.00 175.22 176.93 3bvl n GLU 81 N 1.36 0.68 -3.27 0.44 1.02 -1.26 -5.07 120.64 114.54 3bvl n GLU 81 Ca -0.22 0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 3bvl n GLU 81 Cb 0.54 -1.72 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 3bvl n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3bvl n GLY 82 N 1.74 -1.54 0.17 0.62 0.00 -1.26 -5.00 105.19 99.92 3bvl n GLY 82 Ca -0.25 -1.07 -0.08 0.00 0.00 0.00 0.00 46.02 44.62 3bvl n GLY 82 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3bvl h LEU 83 N 0.00 0.44 -0.50 0.99 5.85 -1.99 -1.39 115.31 118.70 3bvl h LEU 83 Ca 0.00 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.68 3bvl h LEU 83 Cb 0.00 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 3bvl h LEU 83 CO 0.00 0.35 0.33 0.74 -0.34 0.00 0.00 178.44 179.53 3bvl h THR 84 N 0.49 1.13 -0.66 1.05 2.02 -1.96 -2.12 112.91 112.85 3bvl h THR 84 Ca 0.13 -0.23 -0.06 0.00 0.77 0.00 0.00 66.41 67.02 3bvl h THR 84 Cb -0.02 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 66.75 3bvl h THR 84 CO -0.03 0.12 0.19 -0.61 0.37 0.00 0.00 175.52 175.57 3bvl h GLN 85 N 0.68 1.04 -0.32 6.66 4.15 -1.89 0.84 115.11 126.28 3bvl h GLN 85 Ca 0.19 -0.23 0.03 0.00 0.77 0.00 0.00 58.65 59.40 3bvl h GLN 85 Cb -0.08 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.44 3bvl h GLN 85 CO -0.04 0.92 0.13 0.82 -1.93 0.00 0.00 178.83 178.72 3bvl h ILE 86 N 0.97 0.94 0.00 2.39 2.04 -1.08 -0.57 117.51 122.21 3bvl h ILE 86 Ca 0.21 -0.10 -0.09 0.00 1.00 0.00 0.00 64.86 65.88 3bvl h ILE 86 Cb 0.32 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 3bvl h ILE 86 CO -0.00 0.05 -0.44 -0.26 0.00 0.00 0.00 178.15 177.50 3bvl h PHE 87 N 0.28 0.00 -0.23 1.37 0.04 -0.96 0.14 116.94 117.59 3bvl h PHE 87 Ca 0.14 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.88 3bvl h PHE 87 Cb 0.09 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 3bvl h PHE 87 CO -0.12 0.44 0.04 1.96 -0.60 0.00 0.00 178.31 180.03 3bvl h GLN 88 N 0.00 0.37 -0.54 1.51 4.20 -0.56 -0.47 115.11 119.62 3bvl h GLN 88 Ca -0.00 -0.10 -0.06 0.00 0.06 0.00 0.00 58.65 58.55 3bvl h GLN 88 Cb 1.09 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.80 3bvl h GLN 88 CO 0.06 0.51 0.11 0.87 -0.67 0.00 0.00 178.83 179.71 3bvl h LYS 89 N 0.18 0.88 -0.26 1.46 1.57 -0.91 -2.20 116.57 117.28 3bvl h LYS 89 Ca 0.07 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 3bvl h LYS 89 Cb 0.32 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3bvl h LYS 89 CO 0.00 0.84 0.15 0.00 -0.57 0.00 0.00 179.45 179.88 3bvl h ALA 90 N 1.00 0.33 -0.51 3.86 0.00 -0.68 -0.18 119.26 123.08 3bvl h ALA 90 Ca 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3bvl h ALA 90 Cb 0.38 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3bvl h ALA 90 CO 0.01 -0.15 0.32 -0.92 0.00 0.00 0.00 179.25 178.51 3bvl h TYR 91 N 0.32 0.66 -0.78 0.00 3.20 -1.00 -0.46 116.97 118.90 3bvl h TYR 91 Ca 0.09 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 3bvl h TYR 91 Cb 0.04 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.05 3bvl h TYR 91 CO -0.04 0.43 0.42 0.93 -1.64 0.00 0.00 178.16 178.27 3bvl h GLU 92 N 0.69 1.09 -0.60 1.82 5.08 -1.26 -1.37 114.58 120.02 3bvl h GLU 92 Ca 0.18 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 3bvl h GLU 92 Cb -0.05 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 28.96 3bvl h GLU 92 CO -0.04 0.80 0.26 1.25 -1.00 0.00 0.00 179.01 180.28 3bvl h HIS 93 N 1.09 0.89 -0.24 4.33 2.76 -0.47 -2.20 115.15 121.32 3bvl h HIS 93 Ca 0.28 -0.06 -0.09 0.00 -2.20 0.00 0.00 60.37 58.30 3bvl h HIS 93 Cb 0.03 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 28.71 3bvl h HIS 93 CO 0.01 0.70 -0.22 0.93 -1.30 0.00 0.00 177.93 178.05 3bvl h GLU 94 N 0.83 0.45 -0.61 5.26 4.39 -0.66 -1.03 114.58 123.21 3bvl h GLU 94 Ca 0.20 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 3bvl h GLU 94 Cb 0.17 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 3bvl h GLU 94 CO -0.02 0.65 0.38 1.96 -1.16 0.00 0.00 179.01 180.82 3bvl h GLN 95 N 0.40 0.82 -0.51 2.33 4.20 -1.03 -0.32 115.11 121.00 3bvl h GLN 95 Ca 0.06 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 3bvl h GLN 95 Cb 0.61 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 3bvl h GLN 95 CO 0.04 0.57 0.10 1.25 -0.67 0.00 0.00 178.83 180.13 3bvl h HIS 96 N 0.82 0.89 -0.37 2.96 2.76 -0.85 -1.48 115.15 119.88 3bvl h HIS 96 Ca 0.22 -0.12 -0.01 0.00 -2.20 0.00 0.00 60.37 58.27 3bvl h HIS 96 Cb -0.04 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 28.65 3bvl h HIS 96 CO -0.02 0.79 0.21 0.82 -1.30 0.00 0.00 177.93 178.43 3bvl h ILE 97 N 0.72 1.14 -0.66 6.26 1.08 -1.00 -0.80 117.51 124.26 3bvl h ILE 97 Ca 0.16 -0.36 0.07 0.00 -0.39 0.00 0.00 64.86 64.34 3bvl h ILE 97 Cb 0.37 0.71 -0.06 0.00 -3.07 0.00 0.00 36.82 34.77 3bvl h ILE 97 CO 0.01 0.15 0.34 0.28 -0.69 0.00 0.00 178.15 178.23 3bvl h SER 98 N 0.47 0.47 -0.65 1.72 0.02 -0.85 -1.60 113.55 113.13 3bvl h SER 98 Ca 0.13 0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.14 3bvl h SER 98 Cb 0.05 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 3bvl h SER 98 CO -0.02 0.29 0.43 -0.08 -1.14 0.00 0.00 176.83 176.31 3bvl h GLU 99 N 0.61 0.84 -0.87 3.45 4.81 -0.90 -1.44 114.58 121.08 3bvl h GLU 99 Ca 0.31 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.47 3bvl h GLU 99 Cb 0.26 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 3bvl h GLU 99 CO -0.22 0.56 0.48 0.66 -0.73 0.00 0.00 179.01 179.75 3bvl h SER 100 N 0.87 1.09 -0.14 1.04 4.64 -0.37 -1.63 113.55 119.05 3bvl h SER 100 Ca 0.24 -0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 61.43 3bvl h SER 100 Cb -0.08 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 61.72 3bvl h SER 100 CO -0.06 0.87 -0.04 0.40 -0.87 0.00 0.00 176.83 177.14 3bvl h ILE 101 N 1.22 1.29 -0.99 0.95 2.04 -1.07 -2.69 117.51 118.26 3bvl h ILE 101 Ca 0.31 -1.00 0.18 0.00 1.00 0.00 0.00 64.86 65.35 3bvl h ILE 101 Cb 0.03 1.67 -0.10 0.00 -0.74 0.00 0.00 36.82 37.68 3bvl h ILE 101 CO -0.05 0.29 0.61 0.78 0.00 0.00 0.00 178.15 179.79 3bvl h ASN 102 N -0.03 0.75 -0.38 1.72 2.35 -1.07 -1.29 115.58 117.62 3bvl h ASN 102 Ca 0.04 0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 3bvl h ASN 102 Cb 0.47 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 3bvl h ASN 102 CO 0.01 0.30 0.13 -1.13 -1.65 0.00 0.00 177.43 175.10 3bvl h ASN 103 N 0.75 0.55 -0.46 5.81 -0.00 -1.15 -1.25 115.58 119.83 3bvl h ASN 103 Ca 0.55 -0.19 -0.10 0.00 -0.00 0.00 0.00 56.30 56.56 3bvl h ASN 103 Cb 0.87 -0.14 -0.01 0.00 -0.00 0.00 0.00 38.32 39.03 3bvl h ASN 103 CO -0.33 0.59 -0.09 0.40 -0.00 0.00 0.00 177.43 178.01 3bvl h ILE 104 N 0.47 1.27 -0.70 2.57 2.04 -1.02 -1.83 117.51 120.32 3bvl h ILE 104 Ca 0.13 -1.20 -0.06 0.00 1.00 0.00 0.00 64.86 64.73 3bvl h ILE 104 Cb 0.23 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 3bvl h ILE 104 CO -0.01 0.41 0.21 0.58 0.00 0.00 0.00 178.15 179.34 3bvl h VAL 105 N 0.70 1.25 -0.68 1.67 2.07 -1.18 -0.05 116.25 120.04 3bvl h VAL 105 Ca 0.12 -0.89 -0.08 0.00 0.82 0.00 0.00 66.70 66.67 3bvl h VAL 105 Cb 0.62 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 3bvl h VAL 105 CO 0.04 0.35 0.13 -0.78 0.02 0.00 0.00 177.57 177.32 3bvl h ASP 106 N 1.04 1.07 -0.59 0.57 3.58 -1.12 -1.76 116.42 119.21 3bvl h ASP 106 Ca 0.23 -0.25 -0.10 0.00 0.42 0.00 0.00 57.03 57.33 3bvl h ASP 106 Cb 0.30 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 3bvl h ASP 106 CO -0.01 1.05 -0.00 0.45 -2.88 0.00 0.00 179.24 177.85 3bvl h HIS 107 N 1.05 1.14 -0.52 0.28 3.86 -0.74 -1.04 115.15 119.18 3bvl h HIS 107 Ca 0.21 -0.20 0.03 0.00 -1.16 0.00 0.00 60.37 59.25 3bvl h HIS 107 Cb 0.42 -0.30 -0.04 0.00 1.06 0.00 0.00 27.41 28.56 3bvl h HIS 107 CO 0.03 1.01 0.30 0.00 0.86 0.00 0.00 177.93 180.14 3bvl h ALA 108 N 0.98 0.67 0.11 2.45 0.00 -0.82 -0.06 119.26 122.59 3bvl h ALA 108 Ca 0.17 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3bvl h ALA 108 Cb 0.56 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3bvl h ALA 108 CO 0.03 -0.00 -0.06 0.82 0.00 0.00 0.00 179.25 180.04 3bvl h ILE 109 N 0.60 0.90 -0.38 0.00 2.04 -1.05 0.14 117.51 119.75 3bvl h ILE 109 Ca 0.21 -0.03 0.02 0.00 1.00 0.00 0.00 64.86 66.06 3bvl h ILE 109 Cb 0.04 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 3bvl h ILE 109 CO -0.11 0.01 0.25 0.11 0.00 0.00 0.00 178.15 178.42 3bvl h LYS 110 N -0.17 0.44 -0.01 2.37 1.57 -0.94 -1.52 116.57 118.31 3bvl h LYS 110 Ca -0.02 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3bvl h LYS 110 Cb 0.13 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3bvl h LYS 110 CO 0.03 0.29 -0.16 0.43 -0.57 0.00 0.00 179.45 179.47 3bvl n SER 111 N -4.48 0.94 -2.39 0.86 7.64 -0.06 -4.94 113.62 111.19 3bvl n SER 111 Ca 0.03 -0.93 -0.20 0.00 1.01 0.00 0.00 58.87 58.78 3bvl n SER 111 Cb 0.11 0.05 -0.01 0.00 -1.01 0.00 0.00 64.21 63.35 3bvl n SER 111 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3bvl n LYS 112 N -0.57 -1.73 -3.02 1.43 5.02 -0.54 -4.93 118.16 113.81 3bvl n LYS 112 Ca 0.15 0.98 -0.44 0.00 -2.02 0.00 0.00 58.31 56.97 3bvl n LYS 112 Cb 0.32 -5.64 -0.01 0.00 -0.02 0.00 0.00 35.03 29.69 3bvl n LYS 112 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3bvl s ASP 113 N -2.06 6.97 0.20 4.39 -1.08 0.39 -4.82 116.67 120.66 3bvl s ASP 113 Ca 0.00 -2.81 0.24 0.00 -0.52 0.00 0.00 52.55 49.46 3bvl s ASP 113 Cb 0.00 -2.36 0.43 0.00 -1.46 0.00 0.00 42.92 39.53 3bvl s ASP 113 CO 0.00 -0.75 1.45 0.45 0.52 0.00 0.00 175.17 176.84 3bvl h HIS 114 N 7.57 0.00 -0.24 -5.34 3.86 -1.92 -2.02 115.15 117.07 3bvl h HIS 114 Ca 0.24 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.46 3bvl h HIS 114 Cb 0.92 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.38 3bvl h HIS 114 CO 1.07 0.00 0.14 0.00 0.86 0.00 0.00 177.93 180.00 3bvl h ALA 115 N 2.37 0.29 -0.33 2.45 0.00 -1.97 -0.33 119.26 121.75 3bvl h ALA 115 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3bvl h ALA 115 Cb 0.81 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3bvl h ALA 115 CO 0.00 -0.26 -0.29 1.15 0.00 0.00 0.00 179.25 179.85 3bvl h THR 116 N 0.29 1.29 -0.10 0.00 2.02 -1.94 -0.92 112.91 113.54 3bvl h THR 116 Ca 0.09 -1.45 0.04 0.00 0.77 0.00 0.00 66.41 65.85 3bvl h THR 116 Cb -0.01 1.49 -0.04 0.00 -1.74 0.00 0.00 68.15 67.86 3bvl h THR 116 CO -0.04 0.47 -0.13 0.15 0.37 0.00 0.00 175.52 176.34 3bvl h PHE 117 N 0.54 -0.32 -0.71 3.16 3.57 -1.28 -1.30 116.94 120.60 3bvl h PHE 117 Ca 0.06 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 3bvl h PHE 117 Cb 0.86 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.73 3bvl h PHE 117 CO 0.07 -0.19 0.37 -0.97 -2.23 0.00 0.00 178.31 175.36 3bvl h ASN 118 N -0.17 0.91 -0.65 0.41 -0.73 -1.01 -2.90 115.58 111.44 3bvl h ASN 118 Ca 0.08 -0.11 0.01 0.00 1.87 0.00 0.00 56.30 58.15 3bvl h ASN 118 Cb 0.28 -0.23 -0.03 0.00 0.27 0.00 0.00 38.32 38.61 3bvl h ASN 118 CO -0.20 0.76 0.43 0.15 -0.37 0.00 0.00 177.43 178.19 3bvl h PHE 119 N 0.99 0.81 0.00 0.67 3.04 -0.72 -2.89 116.94 118.83 3bvl h PHE 119 Ca 0.25 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.22 3bvl h PHE 119 Cb 0.07 -0.27 0.00 0.00 2.56 0.00 0.00 35.95 38.31 3bvl h PHE 119 CO 0.00 0.50 0.00 1.28 -2.02 0.00 0.00 178.31 178.07 3bvl n LEU 120 N -4.65 0.00 -0.31 0.59 4.77 -0.53 -3.89 117.00 112.99 3bvl n LEU 120 Ca 0.06 0.33 -0.05 0.00 -0.03 0.00 0.00 56.01 56.32 3bvl n LEU 120 Cb 0.03 -0.33 0.07 0.00 -2.33 0.00 0.00 43.42 40.86 3bvl n LEU 120 CO 0.35 -0.14 1.10 1.56 -1.33 0.00 0.00 177.39 178.93 3bvl h GLN 121 N 0.00 1.21 -0.67 3.23 1.08 -1.53 0.01 115.11 118.44 3bvl h GLN 121 Ca 0.00 -0.18 0.06 0.00 -1.45 0.00 0.00 58.65 57.08 3bvl h GLN 121 Cb 0.19 -0.21 -0.04 0.00 -0.05 0.00 0.00 27.48 27.37 3bvl h GLN 121 CO 0.00 0.94 0.44 0.11 -0.95 0.00 0.00 178.83 179.37 3bvl h TRP 122 N 1.19 0.69 -0.04 2.96 5.08 -1.82 -1.74 115.95 122.28 3bvl h TRP 122 Ca 0.29 0.02 -0.22 0.00 1.08 0.00 0.00 58.89 60.06 3bvl h TRP 122 Cb 0.13 -0.23 0.02 0.00 -3.00 0.00 0.00 29.16 26.08 3bvl h TRP 122 CO 0.02 0.37 -0.82 -0.92 -1.28 0.00 0.00 178.44 175.81 3bvl h TYR 123 N 0.69 0.90 -0.18 0.12 3.20 -1.37 -0.74 116.97 119.60 3bvl h TYR 123 Ca 0.29 -0.46 0.02 0.00 3.14 0.00 0.00 58.73 61.72 3bvl h TYR 123 Cb 0.25 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 3bvl h TYR 123 CO -0.00 1.29 0.03 0.28 -1.64 0.00 0.00 178.16 178.11 3bvl h VAL 124 N 0.26 0.91 -0.27 1.81 2.07 -0.89 -0.84 116.25 119.30 3bvl h VAL 124 Ca -0.09 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 3bvl h VAL 124 Cb 1.48 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 3bvl h VAL 124 CO 0.16 0.02 0.10 0.00 0.02 0.00 0.00 177.57 177.87 3bvl h ALA 125 N 1.13 0.36 -0.46 1.67 0.00 -1.24 -1.52 119.26 119.20 3bvl h ALA 125 Ca 0.08 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 3bvl h ALA 125 Cb 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3bvl h ALA 125 CO -0.11 -0.03 -0.18 0.93 0.00 0.00 0.00 179.25 179.85 3bvl h GLU 126 N 0.29 0.94 -0.59 0.00 5.08 -1.11 -2.43 114.58 116.75 3bvl h GLU 126 Ca 0.09 -0.39 -0.03 0.00 -1.00 0.00 0.00 59.36 58.03 3bvl h GLU 126 Cb 0.20 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 3bvl h GLU 126 CO -0.01 1.05 0.26 0.37 -1.00 0.00 0.00 179.01 179.69 3bvl h GLN 127 N 0.78 0.87 -0.48 2.33 5.75 -1.09 -1.85 115.11 121.42 3bvl h GLN 127 Ca 0.11 -0.15 0.06 0.00 -0.15 0.00 0.00 58.65 58.53 3bvl h GLN 127 Cb 0.75 -0.15 -0.05 0.00 1.07 0.00 0.00 27.48 29.10 3bvl h GLN 127 CO 0.06 0.73 0.17 1.25 -2.65 0.00 0.00 178.83 178.39 3bvl h HIS 128 N 0.82 0.30 -0.90 3.99 2.76 -1.16 0.42 115.15 121.39 3bvl h HIS 128 Ca 0.20 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.42 3bvl h HIS 128 Cb 0.17 -0.06 -0.05 0.00 1.55 0.00 0.00 27.41 29.01 3bvl h HIS 128 CO 0.01 0.10 0.58 1.49 -1.30 0.00 0.00 177.93 178.81 3bvl h GLU 129 N 0.35 1.11 -0.35 5.26 4.22 -1.20 -1.24 114.58 122.73 3bvl h GLU 129 Ca 0.23 -0.07 -0.08 0.00 0.08 0.00 0.00 59.36 59.52 3bvl h GLU 129 Cb 0.23 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3bvl h GLU 129 CO -0.23 0.74 -0.09 0.93 -2.18 0.00 0.00 179.01 178.18 3bvl h GLU 130 N 1.15 0.68 -0.37 1.92 5.08 -0.65 -0.87 114.58 121.53 3bvl h GLU 130 Ca 0.35 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3bvl h GLU 130 Cb -0.03 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 3bvl h GLU 130 CO -0.11 0.84 0.21 1.49 -1.00 0.00 0.00 179.01 180.45 3bvl h GLU 131 N 0.47 0.50 -0.56 2.33 4.81 -0.67 -0.87 114.58 120.59 3bvl h GLU 131 Ca 0.09 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.31 3bvl h GLU 131 Cb 0.59 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.82 3bvl h GLU 131 CO 0.03 0.39 0.31 0.28 -0.73 0.00 0.00 179.01 179.30 3bvl h VAL 132 N 0.47 1.01 -0.33 0.32 2.07 -1.19 -0.98 116.25 117.62 3bvl h VAL 132 Ca 0.13 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.46 3bvl h VAL 132 Cb 0.02 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 3bvl h VAL 132 CO -0.02 0.11 0.18 0.25 0.02 0.00 0.00 177.57 178.11 3bvl h LEU 133 N 0.61 0.28 -0.82 2.57 5.85 -0.76 0.39 115.31 123.43 3bvl h LEU 133 Ca 0.24 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.88 3bvl h LEU 133 Cb 0.09 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3bvl h LEU 133 CO -0.13 0.21 -0.07 -0.26 -0.34 0.00 0.00 178.44 177.84 3bvl h PHE 134 N 0.37 0.88 -0.28 1.25 -1.00 -0.90 -0.57 116.94 116.69 3bvl h PHE 134 Ca 0.13 -0.15 0.04 0.00 2.81 0.00 0.00 57.97 60.81 3bvl h PHE 134 Cb 0.02 -0.23 -0.04 0.00 3.61 0.00 0.00 35.95 39.32 3bvl h PHE 134 CO -0.09 0.85 0.05 -0.22 -1.61 0.00 0.00 178.31 177.29 3bvl h LYS 135 N 0.74 0.15 -0.53 1.51 3.11 -0.82 -1.08 116.57 119.65 3bvl h LYS 135 Ca 0.13 -0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.94 3bvl h LYS 135 Cb 0.55 -0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.72 3bvl h LYS 135 CO 0.03 0.10 0.24 -0.44 -2.81 0.00 0.00 179.45 176.57 3bvl h ASP 136 N 0.15 0.71 -0.36 4.20 3.32 -0.55 -0.43 116.42 123.47 3bvl h ASP 136 Ca 0.13 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 3bvl h ASP 136 Cb 0.14 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3bvl h ASP 136 CO -0.18 0.66 0.02 0.40 -1.72 0.00 0.00 179.24 178.42 3bvl h ILE 137 N 0.72 1.25 -0.43 0.35 2.04 -0.99 -1.30 117.51 119.15 3bvl h ILE 137 Ca 0.18 -0.93 -0.00 0.00 1.00 0.00 0.00 64.86 65.10 3bvl h ILE 137 Cb 0.15 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 3bvl h ILE 137 CO -0.02 0.31 0.25 0.25 0.00 0.00 0.00 178.15 178.94 3bvl h LEU 138 N 0.45 0.52 -0.69 1.44 5.85 -1.12 0.12 115.31 121.87 3bvl h LEU 138 Ca 0.11 -0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.87 3bvl h LEU 138 Cb 0.42 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.25 3bvl h LEU 138 CO 0.01 0.43 0.31 0.44 -0.34 0.00 0.00 178.44 179.29 3bvl h ASP 139 N 0.56 0.36 -0.25 1.25 3.45 -0.91 -1.51 116.42 119.37 3bvl h ASP 139 Ca 0.15 0.08 -0.10 0.00 0.43 0.00 0.00 57.03 57.58 3bvl h ASP 139 Cb 0.01 0.03 -0.00 0.00 -0.56 0.00 0.00 39.33 38.80 3bvl h ASP 139 CO -0.03 0.19 -0.25 0.50 -1.57 0.00 0.00 179.24 178.09 3bvl h LYS 140 N 0.51 0.61 -0.81 3.56 1.63 -0.76 -0.71 116.57 120.61 3bvl h LYS 140 Ca 0.35 -0.32 0.06 0.00 -0.85 0.00 0.00 60.65 59.90 3bvl h LYS 140 Cb 0.43 0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 32.01 3bvl h LYS 140 CO -0.31 0.92 0.49 0.82 -3.45 0.00 0.00 179.45 177.92 3bvl h ILE 141 N 0.33 1.02 -0.09 2.00 2.04 -0.74 -0.78 117.51 121.28 3bvl h ILE 141 Ca 0.04 -0.31 -0.15 0.00 1.00 0.00 0.00 64.86 65.44 3bvl h ILE 141 Cb 0.80 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 3bvl h ILE 141 CO 0.06 0.16 -0.60 -0.33 0.00 0.00 0.00 178.15 177.44 3bvl h GLU 142 N 0.89 0.31 -0.57 2.37 5.08 -1.16 -1.18 114.58 120.32 3bvl h GLU 142 Ca 0.36 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 3bvl h GLU 142 Cb 0.19 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3bvl h GLU 142 CO -0.18 0.82 0.16 1.25 -1.00 0.00 0.00 179.01 180.06 3bvl h LEU 143 N 0.23 0.84 0.22 1.33 5.85 -0.60 -3.27 115.31 119.92 3bvl h LEU 143 Ca -0.01 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 3bvl h LEU 143 Cb 1.12 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.93 3bvl h LEU 143 CO 0.10 0.84 -0.11 0.40 -0.34 0.00 0.00 178.44 179.33 3bvl h ILE 144 N 0.80 0.76 0.00 4.05 2.04 -1.09 -3.50 117.51 120.58 3bvl h ILE 144 Ca 0.18 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 65.12 3bvl h ILE 144 Cb 0.31 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 3bvl h ILE 144 CO -0.00 0.17 0.00 0.61 0.00 0.00 0.00 178.15 178.93 3bvl n GLY 145 N 0.26 -2.68 0.23 5.37 0.00 -0.45 -4.75 105.19 103.16 3bvl n GLY 145 Ca -0.08 -1.71 0.07 0.00 0.00 0.00 0.00 46.02 44.30 3bvl n GLY 145 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3bvl n ASN 146 N -0.25 1.27 -4.74 1.61 3.02 -1.26 -4.00 115.26 110.91 3bvl n ASN 146 Ca 0.00 -1.14 -0.32 0.00 -0.03 0.00 0.00 54.58 53.09 3bvl n ASN 146 Cb 0.00 0.65 0.10 0.00 -0.61 0.00 0.00 39.78 39.92 3bvl n ASN 146 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3bvl s GLU 147 N -2.02 2.10 0.00 3.52 2.02 -1.26 -4.35 118.70 118.71 3bvl s GLU 147 Ca 0.10 1.44 0.00 0.00 0.02 0.00 0.00 54.97 56.53 3bvl s GLU 147 Cb 0.12 -1.86 0.00 0.00 0.10 0.00 0.00 34.13 32.49 3bvl s GLU 147 CO 0.46 -1.80 0.00 0.27 0.02 0.00 0.00 175.26 174.21 3bvl n ASN 148 N -3.21 0.00 0.00 -0.19 6.94 -1.26 -0.36 115.26 117.18 3bvl n ASN 148 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.67 3bvl n ASN 148 Cb 0.52 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.94 3bvl n ASN 148 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 3bvl n HIS 149 N 0.00 0.00 -0.11 -2.53 8.25 -1.26 -4.92 115.22 114.64 3bvl n HIS 149 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.41 3bvl n HIS 149 Cb 0.00 -0.54 0.02 0.00 1.12 0.00 0.00 29.99 30.59 3bvl n HIS 149 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3bvl h GLY 150 N 0.00 0.48 1.00 -1.41 0.00 -0.89 -1.10 103.07 101.14 3bvl h GLY 150 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 3bvl h GLY 150 CO 0.00 0.01 0.35 1.41 0.00 0.00 0.00 176.54 178.31 3bvl h LEU 151 N 0.26 0.73 -0.20 3.11 3.38 -1.79 -0.61 115.31 120.19 3bvl h LEU 151 Ca 0.18 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.09 3bvl h LEU 151 Cb 0.18 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3bvl h LEU 151 CO -0.20 0.59 0.09 0.22 0.09 0.00 0.00 178.44 179.23 3bvl h TYR 152 N 0.81 0.17 -0.67 1.13 3.20 -1.87 -0.14 116.97 119.61 3bvl h TYR 152 Ca 0.21 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 3bvl h TYR 152 Cb -0.00 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 3bvl h TYR 152 CO -0.02 0.10 0.37 -0.07 -1.64 0.00 0.00 178.16 176.90 3bvl h LEU 153 N 0.20 0.84 -0.42 2.82 3.38 -0.93 -1.14 115.31 120.08 3bvl h LEU 153 Ca 0.08 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3bvl h LEU 153 Cb 0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3bvl h LEU 153 CO -0.06 0.70 0.16 0.00 0.09 0.00 0.00 178.44 179.33 3bvl h ALA 154 N 1.18 0.55 -0.65 1.53 0.00 -0.94 -1.28 119.26 119.64 3bvl h ALA 154 Ca 0.24 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3bvl h ALA 154 Cb 0.05 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3bvl h ALA 154 CO -0.04 0.16 0.20 0.22 0.00 0.00 0.00 179.25 179.79 3bvl h ASP 155 N 0.53 0.96 -0.35 0.00 3.58 -0.77 -1.35 116.42 119.03 3bvl h ASP 155 Ca 0.14 -0.21 -0.07 0.00 0.42 0.00 0.00 57.03 57.31 3bvl h ASP 155 Cb 0.20 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 3bvl h ASP 155 CO -0.01 0.91 -0.01 1.56 -2.88 0.00 0.00 179.24 178.81 3bvl h GLN 156 N 0.95 0.72 -0.27 0.28 1.08 -1.09 0.19 115.11 116.97 3bvl h GLN 156 Ca 0.21 -0.19 -0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3bvl h GLN 156 Cb 0.30 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 3bvl h GLN 156 CO -0.01 0.74 0.17 -0.92 -0.95 0.00 0.00 178.83 177.86 3bvl h TYR 157 N 0.67 0.35 -0.32 2.96 3.20 -0.87 -1.32 116.97 121.65 3bvl h TYR 157 Ca 0.13 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.89 3bvl h TYR 157 Cb 0.43 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 3bvl h TYR 157 CO 0.02 0.25 -0.28 0.28 -1.64 0.00 0.00 178.16 176.79 3bvl h VAL 158 N 0.35 1.28 -0.65 1.81 2.07 -0.88 -2.56 116.25 117.67 3bvl h VAL 158 Ca 0.10 -1.39 0.05 0.00 0.82 0.00 0.00 66.70 66.28 3bvl h VAL 158 Cb 0.00 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 3bvl h VAL 158 CO -0.02 0.45 0.37 0.50 0.02 0.00 0.00 177.57 178.89 3bvl h LYS 159 N 0.57 0.66 -0.48 1.57 3.64 -0.49 -0.13 116.57 121.91 3bvl h LYS 159 Ca 0.07 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.46 3bvl h LYS 159 Cb 0.77 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.40 3bvl h LYS 159 CO 0.06 0.44 0.22 0.78 -2.27 0.00 0.00 179.45 178.68 3bvl h GLY 160 N 0.68 0.65 0.92 5.01 0.00 -0.85 -1.87 103.07 107.62 3bvl h GLY 160 Ca 0.29 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.46 3bvl h GLY 160 CO -0.17 0.08 0.13 -2.22 0.00 0.00 0.00 176.54 174.35 3bvl h ILE 161 N 0.43 1.17 -0.46 2.60 2.04 -1.08 -1.98 117.51 120.24 3bvl h ILE 161 Ca 0.21 -0.53 0.08 0.00 1.00 0.00 0.00 64.86 65.63 3bvl h ILE 161 Cb 0.16 0.95 -0.07 0.00 -0.74 0.00 0.00 36.82 37.12 3bvl h ILE 161 CO -0.17 0.18 0.06 0.00 0.00 0.00 0.00 178.15 178.22 3bvl h ALA 162 N 0.98 0.48 -0.20 1.87 0.00 -0.77 -2.07 119.26 119.55 3bvl h ALA 162 Ca 0.10 0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 3bvl h ALA 162 Cb 0.17 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3bvl h ALA 162 CO -0.01 -0.34 -0.32 0.87 0.00 0.00 0.00 179.25 179.45 3bvl h LYS 163 N 0.18 0.40 0.00 0.00 1.57 -1.21 -2.98 116.57 114.53 3bvl h LYS 163 Ca 0.23 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 3bvl h LYS 163 Cb 0.32 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 3bvl h LYS 163 CO -0.33 0.68 -0.10 0.66 -0.57 0.00 0.00 179.45 179.79 3bvl h SER 164 N 0.35 0.00 0.10 0.86 4.64 -0.70 -2.93 113.55 115.87 3bvl h SER 164 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3bvl h SER 164 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 3bvl h SER 164 CO 0.06 0.10 -0.21 0.54 -0.87 0.00 0.00 176.83 176.44 3bvl n ARG 165 N -3.20 1.26 0.00 4.77 1.74 -0.87 -5.10 116.66 115.26 3bvl n ARG 165 Ca 0.01 -0.85 0.05 0.00 -0.77 0.00 0.00 57.85 56.29 3bvl n ARG 165 Cb 0.40 -1.48 0.32 0.00 -1.02 0.00 0.00 32.46 30.67 3bvl n ARG 165 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74