#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bvc s LEU 7 N 0.00 1.92 -0.30 -3.43 0.20 -1.26 -5.12 118.68 110.69 3bvc s LEU 7 Ca 0.00 -0.26 -0.19 0.00 0.69 0.00 0.00 54.13 54.37 3bvc s LEU 7 Cb 0.00 -0.73 -0.01 0.00 -0.43 0.00 0.00 46.19 45.02 3bvc s LEU 7 CO 0.00 0.13 0.57 -0.44 -0.29 0.00 0.00 176.35 176.33 3bvc s SER 8 N -0.07 6.44 0.20 3.68 0.01 -1.26 -5.05 113.70 117.65 3bvc s SER 8 Ca 0.00 0.36 0.04 0.00 1.31 0.00 0.00 55.95 57.67 3bvc s SER 8 Cb -0.08 -2.30 -0.05 0.00 0.21 0.00 0.00 66.02 63.80 3bvc s SER 8 CO 0.00 -0.43 -0.06 -0.76 0.41 0.00 0.00 173.24 172.41 3bvc s LEU 9 N 2.48 2.37 -1.33 2.44 1.43 -1.26 -4.90 118.68 119.91 3bvc s LEU 9 Ca 0.23 -1.12 -0.04 0.00 -1.03 0.00 0.00 54.13 52.17 3bvc s LEU 9 Cb -0.15 -0.36 0.02 0.00 0.03 0.00 0.00 46.19 45.72 3bvc s LEU 9 CO 0.11 -0.40 0.88 0.49 0.23 0.00 0.00 176.35 177.66 3bvc n PHE 10 N -0.34 -2.16 -2.63 0.29 3.72 -1.26 -4.92 117.46 110.16 3bvc n PHE 10 Ca -0.07 0.90 -0.41 0.00 -0.05 0.00 0.00 57.45 57.81 3bvc n PHE 10 Cb 0.62 -4.56 -0.04 0.00 -0.94 0.00 0.00 39.48 34.56 3bvc n PHE 10 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3bvc s VAL 11 N -3.49 4.16 -0.13 -4.37 1.01 -1.26 -5.04 120.40 111.28 3bvc s VAL 11 Ca 0.19 1.85 -0.20 0.00 0.00 0.00 0.00 61.98 63.81 3bvc s VAL 11 Cb -0.09 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 3bvc s VAL 11 CO 0.79 0.31 0.59 -0.89 0.00 0.00 0.00 175.10 175.89 3bvc s THR 12 N -0.19 5.10 -0.13 3.92 2.01 -1.26 -5.08 115.64 120.00 3bvc s THR 12 Ca 0.48 1.16 -0.04 0.00 0.31 0.00 0.00 61.69 63.60 3bvc s THR 12 Cb -0.26 -3.92 -0.03 0.00 0.01 0.00 0.00 72.50 68.29 3bvc s THR 12 CO 0.32 0.24 0.02 -0.13 -0.69 0.00 0.00 174.62 174.39 3bvc s ARG 13 N 1.05 3.48 -0.18 4.92 1.81 -1.26 -5.10 118.95 123.67 3bvc s ARG 13 Ca 0.30 -0.39 -0.01 0.00 -1.72 0.00 0.00 55.73 53.92 3bvc s ARG 13 Cb -0.16 -2.98 -0.00 0.00 -0.45 0.00 0.00 34.95 31.35 3bvc s ARG 13 CO 0.13 0.48 -0.13 -1.17 -0.68 0.00 0.00 175.30 173.93 3bvc s LEU 14 N -0.25 2.56 -0.39 2.53 2.96 -1.26 -4.56 118.68 120.28 3bvc s LEU 14 Ca 0.07 -0.47 -0.18 0.00 -0.22 0.00 0.00 54.13 53.33 3bvc s LEU 14 Cb -0.12 -1.61 0.01 0.00 0.50 0.00 0.00 46.19 44.97 3bvc s LEU 14 CO 0.02 0.04 0.50 -0.47 -1.32 0.00 0.00 176.35 175.13 3bvc s TYR 15 N 1.07 3.16 -0.21 5.38 5.04 -0.47 -4.97 117.35 126.34 3bvc s TYR 15 Ca -0.00 -0.04 0.00 0.00 -2.44 0.00 0.00 57.07 54.59 3bvc s TYR 15 Cb -0.15 -2.98 0.05 0.00 0.35 0.00 0.00 41.96 39.24 3bvc s TYR 15 CO -0.03 -0.64 -0.05 -1.58 -1.34 0.00 0.00 175.55 171.90 3bvc s HIS 16 N 2.38 2.12 -0.07 4.97 2.46 -1.26 -0.80 115.29 125.09 3bvc s HIS 16 Ca 0.17 -1.50 -0.19 0.00 0.47 0.00 0.00 55.06 54.01 3bvc s HIS 16 Cb -0.16 -1.48 0.04 0.00 -0.13 0.00 0.00 32.58 30.85 3bvc s HIS 16 CO 0.14 -0.72 0.44 0.00 -2.47 0.00 0.00 174.74 172.14 3bvc s ALA 17 N 1.49 -1.13 0.53 1.58 0.00 -0.93 -5.02 121.76 118.28 3bvc s ALA 17 Ca -0.03 0.85 -0.22 0.00 0.00 0.00 0.00 51.96 52.56 3bvc s ALA 17 Cb -0.17 -0.19 -0.05 0.00 0.00 0.00 0.00 23.12 22.70 3bvc s ALA 17 CO -0.07 -0.28 1.32 -1.25 0.00 0.00 0.00 175.76 175.49 3bvc s PRO 18 N -0.84 3.27 0.52 0.00 0.04 -1.26 -0.32 135.00 136.42 3bvc s PRO 18 Ca -0.09 2.15 0.29 0.00 0.04 0.00 0.00 61.00 63.39 3bvc s PRO 18 Cb -0.03 -2.30 1.43 0.00 0.04 0.00 0.00 34.50 33.64 3bvc s PRO 18 CO 0.05 -1.06 2.05 1.25 0.04 0.00 0.00 177.00 179.33 3bvc h LEU 19 N 1.59 0.00 0.00 -3.56 5.85 -1.08 -2.83 115.31 115.28 3bvc h LEU 19 Ca -0.51 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.21 3bvc h LEU 19 Cb 1.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.32 3bvc h LEU 19 CO 0.58 0.12 0.00 -1.54 -0.34 0.00 0.00 178.44 177.26 3bvc n SER 20 N -3.52 0.00 0.23 1.25 3.41 -1.26 -3.06 113.62 110.68 3bvc n SER 20 Ca -0.01 -0.48 0.11 0.00 -0.26 0.00 0.00 58.87 58.23 3bvc n SER 20 Cb 0.26 -0.12 0.48 0.00 -0.26 0.00 0.00 64.21 64.58 3bvc n SER 20 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3bvc h ASP 21 N 0.00 0.00 -5.13 4.04 3.32 -1.89 -3.46 116.42 113.30 3bvc h ASP 21 Ca 0.00 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.85 3bvc h ASP 21 Cb 0.09 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.49 3bvc h ASP 21 CO 0.00 0.17 -0.66 -1.00 -1.72 0.00 0.00 179.24 176.03 3bvc s HIS 22 N -3.62 0.91 0.00 4.55 3.76 -1.17 -5.10 115.29 114.62 3bvc s HIS 22 Ca 0.01 -1.15 0.00 0.00 -0.15 0.00 0.00 55.06 53.77 3bvc s HIS 22 Cb 0.10 -0.52 0.00 0.00 1.11 0.00 0.00 32.58 33.26 3bvc s HIS 22 CO 0.62 -0.41 0.00 0.41 -0.85 0.00 0.00 174.74 174.51 3bvc n GLY 23 N -0.10 -0.54 3.83 -2.22 0.00 -1.26 -4.83 105.19 100.07 3bvc n GLY 23 Ca -0.07 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.61 3bvc n GLY 23 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3bvc s PRO 24 N 0.00 2.08 0.02 1.61 0.02 -1.26 -4.96 135.00 132.51 3bvc s PRO 24 Ca 0.00 0.46 -0.30 0.00 0.02 0.00 0.00 61.00 61.17 3bvc s PRO 24 Cb 0.00 -1.93 -0.04 0.00 0.02 0.00 0.00 34.50 32.54 3bvc s PRO 24 CO 0.00 -1.58 1.10 0.00 -0.33 0.00 0.00 177.00 176.19 3bvc s ALA 25 N -3.29 3.30 -0.25 -1.55 0.00 -1.26 -4.89 121.76 113.82 3bvc s ALA 25 Ca 0.61 0.69 0.02 0.00 0.00 0.00 0.00 51.96 53.28 3bvc s ALA 25 Cb -0.13 -3.40 0.05 0.00 0.00 0.00 0.00 23.12 19.63 3bvc s ALA 25 CO 0.53 -0.37 -0.12 0.42 0.00 0.00 0.00 175.76 176.22 3bvc s ILE 26 N 1.13 2.29 -0.05 0.00 1.01 -1.26 -5.05 121.20 119.26 3bvc s ILE 26 Ca 0.55 -1.41 -0.30 0.00 0.00 0.00 0.00 60.65 59.50 3bvc s ILE 26 Cb -0.25 -2.25 -0.05 0.00 0.01 0.00 0.00 42.46 39.92 3bvc s ILE 26 CO 0.28 0.11 1.49 -0.62 0.00 0.00 0.00 174.94 176.20 3bvc s ASP 27 N 1.18 6.78 0.14 3.58 2.15 -1.26 -4.92 116.67 124.31 3bvc s ASP 27 Ca -0.05 2.10 -0.16 0.00 0.43 0.00 0.00 52.55 54.88 3bvc s ASP 27 Cb -0.18 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.90 3bvc s ASP 27 CO -0.06 -0.82 1.70 0.00 -0.17 0.00 0.00 175.17 175.82 3bvc h ALA 28 N 8.58 0.54 -0.10 3.66 0.00 -1.98 -2.49 119.26 127.47 3bvc h ALA 28 Ca -0.36 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.31 3bvc h ALA 28 Cb 1.17 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3bvc h ALA 28 CO 0.94 0.12 -0.42 1.49 0.00 0.00 0.00 179.25 181.38 3bvc h GLU 29 N 0.53 0.22 -0.14 0.00 4.81 -1.93 -2.54 114.58 115.53 3bvc h GLU 29 Ca 0.14 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.18 3bvc h GLU 29 Cb 0.15 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3bvc h GLU 29 CO -0.02 0.60 -0.28 1.49 -0.73 0.00 0.00 179.01 180.08 3bvc h GLU 30 N 0.18 0.26 0.00 1.92 4.81 -1.87 -3.23 114.58 116.65 3bvc h GLU 30 Ca 0.02 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3bvc h GLU 30 Cb 0.82 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.18 3bvc h GLU 30 CO 0.06 0.52 -1.19 -0.12 -0.73 0.00 0.00 179.01 177.55 3bvc n MET 31 N -4.14 0.37 0.00 1.92 1.56 -0.97 -2.87 117.12 113.00 3bvc n MET 31 Ca -0.01 -0.02 -0.11 0.00 -0.27 0.00 0.00 57.70 57.28 3bvc n MET 31 Cb 0.38 -1.60 -0.06 0.00 2.15 0.00 0.00 33.22 34.10 3bvc n MET 31 CO 0.00 0.00 0.00 1.49 -0.73 0.00 0.00 175.97 176.73 3bvc h GLU 32 N 0.00 0.11 0.00 2.12 4.81 -1.47 -2.47 114.58 117.67 3bvc h GLU 32 Ca 0.00 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 3bvc h GLU 32 Cb 0.79 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 3bvc h GLU 32 CO 0.00 0.12 -0.20 0.66 -0.73 0.00 0.00 179.01 178.86 3bvc h SER 33 N 0.06 0.00 -0.49 1.04 4.64 -1.67 -2.91 113.55 114.22 3bvc h SER 33 Ca 0.03 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.28 3bvc h SER 33 Cb 0.04 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 3bvc h SER 33 CO -0.01 0.20 0.03 0.28 -0.87 0.00 0.00 176.83 176.46 3bvc h SER 34 N 0.00 0.83 -0.12 4.97 0.02 -1.37 -0.47 113.55 117.41 3bvc h SER 34 Ca -0.00 -0.29 -0.09 0.00 -0.84 0.00 0.00 61.79 60.57 3bvc h SER 34 Cb 0.82 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 3bvc h SER 34 CO 0.03 0.92 -0.19 0.00 -1.14 0.00 0.00 176.83 176.45 3bvc h TYR 36 N 0.47 1.08 0.00 0.00 0.05 -1.35 -1.96 116.97 115.26 3bvc h TYR 36 Ca 0.08 -0.44 -0.08 0.00 0.05 0.00 0.00 58.73 58.35 3bvc h TYR 36 Cb 0.59 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 38.14 3bvc h TYR 36 CO 0.02 1.27 -0.36 0.00 -1.05 0.00 0.00 178.16 178.04 3bvc h ALA 37 N 0.60 1.25 0.02 3.88 0.00 -1.00 -1.30 119.26 122.72 3bvc h ALA 37 Ca -0.02 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.43 3bvc h ALA 37 Cb 1.29 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.03 3bvc h ALA 37 CO 0.14 0.45 -0.52 0.82 0.00 0.00 0.00 179.25 180.14 3bvc h ILE 38 N 0.00 1.49 -0.56 0.00 2.04 -1.41 -3.05 117.51 116.02 3bvc h ILE 38 Ca -0.00 -2.13 -0.01 0.00 1.00 0.00 0.00 64.86 63.72 3bvc h ILE 38 Cb 0.71 2.77 -0.03 0.00 -0.74 0.00 0.00 36.82 39.53 3bvc h ILE 38 CO 0.05 0.60 0.30 0.00 0.00 0.00 0.00 178.15 179.10 3bvc h ALA 39 N 0.25 1.48 -0.02 1.87 0.00 -1.17 0.63 119.26 122.31 3bvc h ALA 39 Ca -0.07 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3bvc h ALA 39 Cb 1.28 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3bvc h ALA 39 CO 0.10 0.43 -0.03 0.39 0.00 0.00 0.00 179.25 180.14 3bvc n GLU 40 N -4.39 1.70 -0.01 0.00 1.02 -0.51 -3.44 120.64 115.00 3bvc n GLU 40 Ca 0.05 -1.08 0.05 0.00 -0.02 0.00 0.00 57.16 56.16 3bvc n GLU 40 Cb 0.10 -1.48 -0.11 0.00 -0.02 0.00 0.00 31.44 29.93 3bvc n GLU 40 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3bvc n ASP 41 N 0.29 1.72 -4.56 1.62 2.03 -0.97 -4.87 116.55 111.81 3bvc n ASP 41 Ca 0.17 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.16 3bvc n ASP 41 Cb 0.40 1.54 -0.04 0.00 -0.72 0.00 0.00 41.12 42.29 3bvc n ASP 41 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3bvc s ASP 42 N -3.79 5.70 0.16 1.67 2.15 0.18 -4.79 116.67 117.95 3bvc s ASP 42 Ca -0.05 -0.96 -0.05 0.00 0.43 0.00 0.00 52.55 51.91 3bvc s ASP 42 Cb 0.08 -2.56 0.02 0.00 -0.30 0.00 0.00 42.92 40.17 3bvc s ASP 42 CO 0.59 -2.24 1.44 -0.33 -0.17 0.00 0.00 175.17 174.46 3bvc h GLU 43 N 10.75 0.59 0.00 4.34 4.39 -1.89 -2.30 114.58 130.46 3bvc h GLU 43 Ca 0.13 -0.42 -0.15 0.00 0.34 0.00 0.00 59.36 59.25 3bvc h GLU 43 Cb 1.01 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.71 3bvc h GLU 43 CO 1.30 1.04 -0.70 0.00 -1.16 0.00 0.00 179.01 179.49 3bvc h ALA 44 N 0.85 0.74 0.01 3.43 0.00 -1.98 -2.21 119.26 120.10 3bvc h ALA 44 Ca -0.01 -0.64 -0.17 0.00 0.00 0.00 0.00 54.91 54.09 3bvc h ALA 44 Cb 1.22 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.91 3bvc h ALA 44 CO 0.12 0.88 -0.66 0.78 0.00 0.00 0.00 179.25 180.37 3bvc h GLY 45 N 2.43 0.48 1.28 0.00 0.00 -1.88 -1.79 103.07 103.60 3bvc h GLY 45 Ca -0.01 -0.87 -0.05 0.00 0.00 0.00 0.00 47.33 46.41 3bvc h GLY 45 CO 0.09 0.77 0.19 1.46 0.00 0.00 0.00 176.54 179.05 3bvc h GLN 46 N -0.07 0.91 -0.46 4.80 4.20 -1.49 -2.50 115.11 120.50 3bvc h GLN 46 Ca -0.09 -0.17 -0.10 0.00 0.06 0.00 0.00 58.65 58.35 3bvc h GLN 46 Cb 1.38 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.99 3bvc h GLN 46 CO 0.13 0.78 -0.13 0.78 -0.67 0.00 0.00 178.83 179.72 3bvc h GLY 47 N 1.01 0.93 1.62 3.46 0.00 -1.42 -3.20 103.07 105.46 3bvc h GLY 47 Ca 0.20 -0.73 -0.18 0.00 0.00 0.00 0.00 47.33 46.62 3bvc h GLY 47 CO -0.01 0.67 -0.70 -0.25 0.00 0.00 0.00 176.54 176.25 3bvc h TRP 48 N 0.77 0.51 -0.36 5.60 7.01 -1.15 -3.00 115.95 125.32 3bvc h TRP 48 Ca 0.12 -0.22 -0.13 0.00 2.11 0.00 0.00 58.89 60.77 3bvc h TRP 48 Cb 0.64 -0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.61 3bvc h TRP 48 CO 0.04 0.96 -0.32 0.00 -2.79 0.00 0.00 178.44 176.33 3bvc h GLU 50 N 0.67 0.44 -0.00 0.00 4.81 -1.64 0.12 114.58 118.98 3bvc h GLU 50 Ca 0.07 -0.38 -0.10 0.00 -0.13 0.00 0.00 59.36 58.83 3bvc h GLU 50 Cb 0.86 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 3bvc h GLU 50 CO 0.07 1.02 -0.46 0.93 -0.73 0.00 0.00 179.01 179.84 3bvc h GLU 51 N 0.29 0.01 0.00 1.92 5.08 -1.36 -3.14 114.58 117.38 3bvc h GLU 51 Ca -0.04 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3bvc h GLU 51 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 3bvc h GLU 51 CO 0.13 0.47 -0.95 -1.71 -1.00 0.00 0.00 179.01 175.95 3bvc n ASN 52 N -3.99 0.72 -1.00 1.42 2.85 -0.23 -4.97 115.26 110.07 3bvc n ASN 52 Ca -0.02 -0.56 -0.07 0.00 -0.11 0.00 0.00 54.58 53.82 3bvc n ASN 52 Cb 0.48 0.83 0.01 0.00 1.24 0.00 0.00 39.78 42.34 3bvc n ASN 52 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3bvc n GLY 53 N 1.45 0.19 3.67 8.20 0.00 -0.79 -4.99 105.19 112.92 3bvc n GLY 53 Ca 0.03 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 3bvc n GLY 53 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3bvc s TYR 54 N -2.56 2.88 -1.18 1.61 6.14 0.35 -4.94 117.35 119.64 3bvc s TYR 54 Ca 0.06 1.01 -0.22 0.00 0.64 0.00 0.00 57.07 58.56 3bvc s TYR 54 Cb -0.02 -3.51 -0.05 0.00 0.42 0.00 0.00 41.96 38.80 3bvc s TYR 54 CO 0.07 -1.73 1.89 -2.14 0.64 0.00 0.00 175.55 174.28 3bvc s PRO 55 N 3.26 2.80 0.00 4.97 0.02 -1.26 -4.74 135.00 140.05 3bvc s PRO 55 Ca 0.56 -1.27 0.00 0.00 0.02 0.00 0.00 61.00 60.31 3bvc s PRO 55 Cb -0.23 -5.29 0.00 0.00 0.02 0.00 0.00 34.50 29.00 3bvc s PRO 55 CO 0.17 -3.59 0.00 0.41 -0.33 0.00 0.00 177.00 173.66 3bvc n GLY 56 N 5.82 0.24 3.01 0.52 0.00 -1.26 -4.42 105.19 109.10 3bvc n GLY 56 Ca 0.45 -1.69 -0.18 0.00 0.00 0.00 0.00 46.02 44.60 3bvc n GLY 56 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3bvc s TYR 57 N -1.50 0.75 0.05 1.61 6.14 -0.28 -4.94 117.35 119.18 3bvc s TYR 57 Ca 0.00 -0.14 0.01 0.00 0.64 0.00 0.00 57.07 57.58 3bvc s TYR 57 Cb 0.00 -0.48 -0.03 0.00 0.42 0.00 0.00 41.96 41.87 3bvc s TYR 57 CO 0.00 -0.01 -0.06 -0.08 0.64 0.00 0.00 175.55 176.04 3bvc s THR 58 N -0.21 0.46 -1.91 4.34 -1.32 -1.26 -1.86 115.64 113.87 3bvc s THR 58 Ca 0.03 -1.30 0.17 0.00 -1.21 0.00 0.00 61.69 59.38 3bvc s THR 58 Cb -0.03 -0.85 0.24 0.00 -1.51 0.00 0.00 72.50 70.35 3bvc s THR 58 CO -0.00 -0.57 1.15 -1.54 -2.21 0.00 0.00 174.62 171.45 3bvc n SER 59 N 1.04 2.74 -0.03 8.08 3.41 -1.07 -4.77 113.62 123.03 3bvc n SER 59 Ca -0.20 -1.80 -0.10 0.00 -0.26 0.00 0.00 58.87 56.51 3bvc n SER 59 Cb 0.57 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.37 3bvc n SER 59 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 3bvc h TYR 60 N 3.28 0.12 -0.78 7.33 3.20 -1.82 0.37 116.97 128.66 3bvc h TYR 60 Ca 0.00 0.01 -0.30 0.00 3.14 0.00 0.00 58.73 61.58 3bvc h TYR 60 Cb 0.76 -0.03 -0.18 0.00 1.54 0.00 0.00 36.73 38.82 3bvc h TYR 60 CO 0.11 0.06 0.38 0.00 -1.64 0.00 0.00 178.16 177.07 3bvc n ALA 61 N -2.21 4.79 0.07 1.82 0.00 -1.26 -4.58 120.51 119.14 3bvc n ALA 61 Ca -0.03 -2.36 0.00 0.00 0.00 0.00 0.00 53.44 51.05 3bvc n ALA 61 Cb 0.06 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.21 3bvc n ALA 61 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3bvc n SER 62 N -0.41 0.32 -4.28 0.00 2.88 -0.64 -4.97 113.62 106.51 3bvc n SER 62 Ca 0.45 0.24 -0.33 0.00 -1.33 0.00 0.00 58.87 57.89 3bvc n SER 62 Cb 1.43 0.04 -0.15 0.00 -0.75 0.00 0.00 64.21 64.78 3bvc n SER 62 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3bvc s LEU 63 N -6.44 2.55 0.00 2.46 1.43 0.12 -4.97 118.68 113.83 3bvc s LEU 63 Ca 0.00 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 3bvc s LEU 63 Cb 0.00 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.63 3bvc s LEU 63 CO 0.00 0.08 0.00 0.35 0.23 0.00 0.00 176.35 177.01 3bvc n THR 64 N 4.07 0.00 -2.61 5.49 -2.24 -1.26 -4.57 114.28 113.16 3bvc n THR 64 Ca -0.19 0.06 -0.43 0.00 -2.27 0.00 0.00 64.05 61.22 3bvc n THR 64 Cb 0.52 -0.74 -0.01 0.00 -2.10 0.00 0.00 70.33 68.00 3bvc n THR 64 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3bvc s ASP 65 N -1.29 6.79 0.17 3.42 -4.77 -1.26 -4.68 116.67 115.05 3bvc s ASP 65 Ca 0.00 -2.30 -0.02 0.00 -3.30 0.00 0.00 52.55 46.92 3bvc s ASP 65 Cb 0.00 -2.56 0.04 0.00 -1.09 0.00 0.00 42.92 39.31 3bvc s ASP 65 CO 0.00 -1.20 1.43 -0.07 0.70 0.00 0.00 175.17 176.03 3bvc h LEU 66 N 12.35 0.52 -1.44 2.11 3.38 -1.86 -2.88 115.31 127.50 3bvc h LEU 66 Ca 0.39 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 3bvc h LEU 66 Cb 0.90 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 3bvc h LEU 66 CO 1.43 1.08 -0.28 1.55 0.09 0.00 0.00 178.44 182.31 3bvc h PRO 67 N 0.30 0.00 -0.16 1.13 0.13 -1.80 -0.24 132.00 131.36 3bvc h PRO 67 Ca -0.03 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.91 3bvc h PRO 67 Cb 1.30 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.44 3bvc h PRO 67 CO 0.13 0.28 -0.66 2.35 -0.23 0.00 0.00 178.00 179.87 3bvc h TRP 68 N 0.00 0.97 0.07 1.56 2.91 -1.94 -3.32 115.95 116.21 3bvc h TRP 68 Ca -0.00 -0.41 -0.26 0.00 1.13 0.00 0.00 58.89 59.34 3bvc h TRP 68 Cb 0.51 -0.16 0.01 0.00 -0.51 0.00 0.00 29.16 29.02 3bvc h TRP 68 CO 0.00 1.23 -1.11 0.00 -1.03 0.00 0.00 178.44 177.53 3bvc h ARG 69 N 0.44 0.42 -4.54 2.65 3.08 -1.42 -3.45 114.38 111.55 3bvc h ARG 69 Ca -0.04 -0.55 -0.56 0.00 0.07 0.00 0.00 59.98 58.91 3bvc h ARG 69 Cb 1.29 0.18 -0.35 0.00 0.08 0.00 0.00 29.97 31.16 3bvc h ARG 69 CO 0.14 1.21 -0.82 -0.06 -1.07 0.00 0.00 179.97 179.37 3bvc s PHE 70 N -3.01 1.77 0.37 3.04 0.08 -0.11 -5.05 117.98 115.07 3bvc s PHE 70 Ca -0.06 -0.85 0.06 0.00 0.12 0.00 0.00 56.93 56.19 3bvc s PHE 70 Cb 0.07 -1.33 0.73 0.00 -0.57 0.00 0.00 43.02 41.92 3bvc s PHE 70 CO 0.89 -0.49 1.96 -1.00 -0.10 0.00 0.00 175.22 176.48 3bvc h PRO 71 N 7.68 0.52 0.00 0.24 0.13 -1.84 -2.20 132.00 136.54 3bvc h PRO 71 Ca -0.32 -0.07 -0.11 0.00 -0.87 0.00 0.00 66.00 64.63 3bvc h PRO 71 Cb 1.16 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 3bvc h PRO 71 CO 0.47 0.46 -0.51 0.97 -0.23 0.00 0.00 178.00 179.15 3bvc h ILE 72 N 0.52 1.33 0.00 -3.56 2.10 -1.93 -2.76 117.51 113.22 3bvc h ILE 72 Ca 0.13 -1.77 -0.12 0.00 1.08 0.00 0.00 64.86 64.18 3bvc h ILE 72 Cb 0.14 1.96 -0.02 0.00 -1.09 0.00 0.00 36.82 37.82 3bvc h ILE 72 CO -0.01 0.50 -0.55 -0.26 -1.08 0.00 0.00 178.15 176.75 3bvc h PHE 73 N 0.00 0.00 -0.55 2.19 -1.00 -1.68 0.25 116.94 116.14 3bvc h PHE 73 Ca -0.01 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.71 3bvc h PHE 73 Cb 0.92 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.46 3bvc h PHE 73 CO 0.00 0.55 0.11 0.00 -1.61 0.00 0.00 178.31 177.36 3bvc h ALA 74 N 1.45 0.73 -0.23 2.45 0.00 -1.31 -0.76 119.26 121.60 3bvc h ALA 74 Ca -0.01 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 3bvc h ALA 74 Cb 1.18 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3bvc h ALA 74 CO 0.07 0.46 -0.28 -0.44 0.00 0.00 0.00 179.25 179.06 3bvc h ASP 75 N 0.80 0.45 0.00 0.00 3.32 -1.21 -1.82 116.42 117.96 3bvc h ASP 75 Ca 0.17 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 3bvc h ASP 75 Cb 0.38 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3bvc h ASP 75 CO 0.01 0.72 -0.00 0.25 -1.72 0.00 0.00 179.24 178.50 3bvc h LEU 76 N 0.39 -0.00 -0.43 1.55 5.85 -0.71 -2.31 115.31 119.65 3bvc h LEU 76 Ca 0.05 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.58 3bvc h LEU 76 Cb 0.69 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 3bvc h LEU 76 CO 0.05 0.23 0.18 0.58 -0.34 0.00 0.00 178.44 179.15 3bvc h VAL 77 N -0.24 0.91 -0.92 1.05 2.07 -1.08 0.17 116.25 118.22 3bvc h VAL 77 Ca -0.00 -0.13 0.11 0.00 0.82 0.00 0.00 66.70 67.50 3bvc h VAL 77 Cb 0.24 0.51 -0.08 0.00 -1.52 0.00 0.00 31.29 30.44 3bvc h VAL 77 CO 0.00 0.07 0.55 0.50 0.02 0.00 0.00 177.57 178.71 3bvc h LYS 78 N 0.37 0.87 -0.26 1.57 3.64 -1.31 0.28 116.57 121.74 3bvc h LYS 78 Ca 0.19 -0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 59.33 3bvc h LYS 78 Cb 0.15 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3bvc h LYS 78 CO -0.17 0.58 -0.59 1.03 -2.27 0.00 0.00 179.45 178.03 3bvc h SER 79 N 0.90 0.95 -0.32 4.20 0.87 -0.80 -3.28 113.55 116.06 3bvc h SER 79 Ca 0.45 -0.53 -0.08 0.00 -1.23 0.00 0.00 61.79 60.39 3bvc h SER 79 Cb 0.42 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 3bvc h SER 79 CO -0.25 1.33 -0.08 -0.07 -0.53 0.00 0.00 176.83 177.23 3bvc h LEU 80 N 0.64 0.71 -0.51 2.23 3.38 0.57 -2.51 115.31 119.81 3bvc h LEU 80 Ca 0.00 -0.19 0.09 0.00 0.09 0.00 0.00 57.88 57.87 3bvc h LEU 80 Cb 1.20 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.69 3bvc h LEU 80 CO 0.13 0.83 0.09 0.44 0.09 0.00 0.00 178.44 180.02 3bvc h ASP 81 N 0.67 -0.01 -0.28 -0.43 3.32 -0.56 -0.04 116.42 119.09 3bvc h ASP 81 Ca 0.12 0.09 -0.14 0.00 0.02 0.00 0.00 57.03 57.13 3bvc h ASP 81 Cb 0.53 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 3bvc h ASP 81 CO 0.03 0.02 -0.32 0.00 -1.72 0.00 0.00 179.24 177.25 3bvc h ALA 82 N 1.40 0.75 -0.47 3.45 0.00 -1.59 0.14 119.26 122.94 3bvc h ALA 82 Ca 0.26 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.75 3bvc h ALA 82 Cb 0.35 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3bvc h ALA 82 CO -0.34 0.66 0.31 0.45 0.00 0.00 0.00 179.25 180.33 3bvc h HIS 83 N 0.67 0.59 -0.14 0.00 3.86 -1.00 -1.90 115.15 117.23 3bvc h HIS 83 Ca 0.07 0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.26 3bvc h HIS 83 Cb 0.86 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 29.13 3bvc h HIS 83 CO 0.05 0.37 -0.06 0.28 0.86 0.00 0.00 177.93 179.43 3bvc h VAL 84 N 0.63 1.31 -0.99 2.45 2.07 -0.86 -2.30 116.25 118.56 3bvc h VAL 84 Ca 0.18 -1.07 0.07 0.00 0.82 0.00 0.00 66.70 66.69 3bvc h VAL 84 Cb -0.06 1.74 -0.07 0.00 -1.52 0.00 0.00 31.29 31.38 3bvc h VAL 84 CO -0.04 0.31 0.63 0.00 0.02 0.00 0.00 177.57 178.49 3bvc h ALA 85 N 0.67 1.38 -0.01 1.67 0.00 -0.91 0.16 119.26 122.21 3bvc h ALA 85 Ca 0.03 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3bvc h ALA 85 Cb 0.51 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3bvc h ALA 85 CO 0.02 0.41 -0.53 0.00 0.00 0.00 0.00 179.25 179.15 3bvc h ALA 86 N 1.45 1.10 -0.01 0.00 0.00 -1.33 -2.74 119.26 117.73 3bvc h ALA 86 Ca 0.43 -0.48 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 3bvc h ALA 86 Cb 0.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3bvc h ALA 86 CO -0.18 0.66 -0.82 0.35 0.00 0.00 0.00 179.25 179.27 3bvc h PHE 87 N 0.03 0.26 -0.59 0.00 3.57 -0.59 -2.61 116.94 117.00 3bvc h PHE 87 Ca -0.00 -0.13 -0.03 0.00 3.53 0.00 0.00 57.97 61.34 3bvc h PHE 87 Cb 0.95 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.63 3bvc h PHE 87 CO 0.00 0.91 0.26 0.00 -2.23 0.00 0.00 178.31 177.25 3bvc h ALA 88 N 1.04 1.34 -0.27 2.41 0.00 -0.59 -0.24 119.26 122.95 3bvc h ALA 88 Ca -0.03 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 3bvc h ALA 88 Cb 1.42 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3bvc h ALA 88 CO 0.12 0.50 -0.38 1.49 0.00 0.00 0.00 179.25 180.99 3bvc h GLU 89 N 0.84 0.63 -0.42 0.00 4.57 -1.39 -0.55 114.58 118.25 3bvc h GLU 89 Ca 0.20 -0.31 -0.08 0.00 -1.18 0.00 0.00 59.36 57.99 3bvc h GLU 89 Cb 0.13 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 3bvc h GLU 89 CO -0.02 0.90 -0.08 0.22 -1.18 0.00 0.00 179.01 178.85 3bvc h ASP 90 N 0.52 0.72 0.46 1.04 3.58 -1.07 -2.94 116.42 118.72 3bvc h ASP 90 Ca 0.05 -0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.30 3bvc h ASP 90 Cb 0.89 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.75 3bvc h ASP 90 CO 0.08 0.84 -0.12 0.18 -2.88 0.00 0.00 179.24 177.34 3bvc n LEU 91 N -4.18 0.38 -2.89 2.28 4.77 -0.14 -4.94 117.00 112.28 3bvc n LEU 91 Ca 0.02 0.08 -0.22 0.00 -0.03 0.00 0.00 56.01 55.86 3bvc n LEU 91 Cb 0.34 -0.23 0.02 0.00 -2.33 0.00 0.00 43.42 41.22 3bvc n LEU 91 CO 0.42 0.07 -0.06 -0.62 -1.33 0.00 0.00 177.39 175.87 3bvc n GLU 92 N -1.09 -4.13 -2.16 3.23 -0.58 -0.25 -4.94 120.64 110.73 3bvc n GLU 92 Ca 0.13 0.92 -0.42 0.00 -0.42 0.00 0.00 57.16 57.37 3bvc n GLU 92 Cb 0.28 -5.74 -0.03 0.00 -0.57 0.00 0.00 31.44 25.39 3bvc n GLU 92 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 3bvc s PHE 93 N -3.14 3.21 -0.38 -0.32 0.08 -1.08 -4.98 117.98 111.36 3bvc s PHE 93 Ca 0.24 1.05 -0.29 0.00 0.12 0.00 0.00 56.93 58.04 3bvc s PHE 93 Cb -0.11 -3.68 0.02 0.00 -0.57 0.00 0.00 43.02 38.68 3bvc s PHE 93 CO 0.29 -2.28 1.13 0.34 -0.10 0.00 0.00 175.22 174.59 3bvc s ASP 94 N 0.72 6.78 0.00 1.36 3.68 -1.26 -4.88 116.67 123.07 3bvc s ASP 94 Ca 0.61 0.82 0.08 0.00 2.13 0.00 0.00 52.55 56.19 3bvc s ASP 94 Cb -0.38 -2.55 -0.01 0.00 -1.45 0.00 0.00 42.92 38.53 3bvc s ASP 94 CO 0.35 -1.06 0.53 0.18 0.13 0.00 0.00 175.17 175.30 3bvc n LEU 95 N 7.37 0.99 0.00 -1.34 4.77 -1.26 -5.10 117.00 122.44 3bvc n LEU 95 Ca 0.12 -0.73 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 3bvc n LEU 95 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3bvc n LEU 95 CO 0.65 0.21 0.00 0.47 -1.33 0.00 0.00 177.39 177.39 3bvc n ASP 96 N -0.41 0.00 -0.00 -1.43 9.92 -1.26 -3.10 116.55 120.27 3bvc n ASP 96 Ca 0.03 0.00 -0.18 0.00 -0.53 0.00 0.00 54.79 54.11 3bvc n ASP 96 Cb 0.17 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.56 3bvc n ASP 96 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 3bvc h GLY 97 N 0.00 0.73 -4.49 0.44 0.00 -2.04 -3.45 103.07 94.26 3bvc h GLY 97 Ca 0.00 -1.12 -0.53 0.00 0.00 0.00 0.00 47.33 45.67 3bvc h GLY 97 CO 0.00 1.00 0.62 1.09 0.00 0.00 0.00 176.54 179.25 3bvc s ARG 98 N -3.53 4.39 0.39 4.80 1.70 -1.18 -5.04 118.95 120.48 3bvc s ARG 98 Ca -0.11 1.90 -0.03 0.00 -0.47 0.00 0.00 55.73 57.01 3bvc s ARG 98 Cb 0.07 -3.30 0.08 0.00 -0.57 0.00 0.00 34.95 31.23 3bvc s ARG 98 CO 0.88 -0.32 0.53 0.00 -1.08 0.00 0.00 175.30 175.32 3bvc n ALA 99 N 3.84 -0.26 -2.66 7.88 0.00 -1.26 -4.76 120.51 123.28 3bvc n ALA 99 Ca 0.10 -0.87 -0.39 0.00 0.00 0.00 0.00 53.44 52.28 3bvc n ALA 99 Cb 0.45 0.07 -0.05 0.00 0.00 0.00 0.00 19.45 19.91 3bvc n ALA 99 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3bvc s LEU 100 N 0.00 4.33 0.12 0.00 1.43 -1.26 -4.73 118.68 118.57 3bvc s LEU 100 Ca 0.33 1.05 0.10 0.00 -1.03 0.00 0.00 54.13 54.58 3bvc s LEU 100 Cb -0.01 -2.91 -0.04 0.00 0.03 0.00 0.00 46.19 43.26 3bvc s LEU 100 CO 0.22 -0.02 -0.22 -1.61 0.23 0.00 0.00 176.35 174.96 3bvc s GLU 101 N 0.48 1.62 -0.01 1.70 0.41 -0.33 -4.95 118.70 117.61 3bvc s GLU 101 Ca 0.32 -1.25 -0.30 0.00 -0.41 0.00 0.00 54.97 53.33 3bvc s GLU 101 Cb -0.17 -2.02 -0.06 0.00 -1.78 0.00 0.00 34.13 30.10 3bvc s GLU 101 CO 0.15 0.47 1.53 -1.17 -0.49 0.00 0.00 175.26 175.75 3bvc s LEU 102 N -2.10 4.32 -0.21 1.80 2.96 -1.26 -0.62 118.68 123.58 3bvc s LEU 102 Ca 0.16 2.21 -0.16 0.00 -0.22 0.00 0.00 54.13 56.13 3bvc s LEU 102 Cb -0.10 -3.55 -0.09 0.00 0.50 0.00 0.00 46.19 42.95 3bvc s LEU 102 CO 0.08 -0.83 -0.26 1.21 -1.32 0.00 0.00 176.35 175.24 3bvc n GLU 103 N 6.04 0.54 -4.14 1.98 2.13 0.97 -4.86 120.64 123.30 3bvc n GLU 103 Ca 0.15 0.32 -0.17 0.00 0.66 0.00 0.00 57.16 58.13 3bvc n GLU 103 Cb 0.43 -1.53 -0.12 0.00 0.27 0.00 0.00 31.44 30.49 3bvc n GLU 103 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3bvc s ASP 104 N -6.45 1.39 -0.20 4.31 1.01 -1.12 -4.98 116.67 110.63 3bvc s ASP 104 Ca -0.29 -0.58 -0.09 0.00 0.71 0.00 0.00 52.55 52.30 3bvc s ASP 104 Cb 0.07 -0.02 0.08 0.00 1.01 0.00 0.00 42.92 44.06 3bvc s ASP 104 CO 0.43 -0.11 0.46 -0.22 0.21 0.00 0.00 175.17 175.94 3bvc s LEU 105 N -1.64 -0.51 0.13 1.23 2.96 -1.26 -0.40 118.68 119.19 3bvc s LEU 105 Ca -0.04 1.05 -0.03 0.00 -0.22 0.00 0.00 54.13 54.89 3bvc s LEU 105 Cb -0.10 1.53 -0.03 0.00 0.50 0.00 0.00 46.19 48.09 3bvc s LEU 105 CO 0.02 -0.22 0.09 -1.66 -1.32 0.00 0.00 176.35 173.26 3bvc s TRP 106 N 2.08 0.72 -0.02 5.38 -2.14 -0.11 -4.78 118.94 120.07 3bvc s TRP 106 Ca -0.06 -1.11 0.00 0.00 2.66 0.00 0.00 56.10 57.59 3bvc s TRP 106 Cb -0.10 -0.38 -0.04 0.00 -3.10 0.00 0.00 33.47 29.85 3bvc s TRP 106 CO -0.14 -0.54 0.02 0.42 -2.66 0.00 0.00 176.95 174.05 3bvc s ILE 107 N -4.02 4.34 -0.07 0.66 1.01 -1.26 -1.61 121.20 120.25 3bvc s ILE 107 Ca 0.21 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.39 3bvc s ILE 107 Cb 0.07 -2.92 0.02 0.00 0.01 0.00 0.00 42.46 39.63 3bvc s ILE 107 CO -0.00 0.42 -0.08 0.20 0.00 0.00 0.00 174.94 175.49 3bvc s ASN 108 N -1.45 1.62 -0.22 3.58 -0.87 0.38 -2.59 114.94 115.40 3bvc s ASN 108 Ca 0.19 -0.23 -0.01 0.00 -1.57 0.00 0.00 52.86 51.24 3bvc s ASN 108 Cb -0.12 -0.68 0.02 0.00 -0.02 0.00 0.00 41.25 40.45 3bvc s ASN 108 CO 0.09 -0.05 -0.11 -0.63 -2.57 0.00 0.00 177.10 173.83 3bvc s ILE 109 N 1.14 2.69 -0.33 0.60 1.01 -0.78 -1.13 121.20 124.40 3bvc s ILE 109 Ca -0.07 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 59.73 3bvc s ILE 109 Cb -0.14 -2.26 0.09 0.00 0.01 0.00 0.00 42.46 40.16 3bvc s ILE 109 CO -0.01 0.37 0.03 -0.22 0.00 0.00 0.00 174.94 175.11 3bvc s LEU 110 N 1.34 4.49 0.00 2.97 2.96 0.42 -1.12 118.68 129.74 3bvc s LEU 110 Ca 0.03 -1.91 -0.16 0.00 -0.22 0.00 0.00 54.13 51.88 3bvc s LEU 110 Cb -0.15 -1.65 0.22 0.00 0.50 0.00 0.00 46.19 45.11 3bvc s LEU 110 CO -0.07 -0.35 1.23 -2.65 -1.32 0.00 0.00 176.35 173.18 3bvc n PRO 111 N 4.37 -1.33 -1.71 0.98 -0.02 -1.26 -0.76 135.00 135.27 3bvc n PRO 111 Ca -0.02 -1.90 -0.42 0.00 -2.02 0.00 0.00 63.50 59.14 3bvc n PRO 111 Cb 0.42 -1.30 -0.03 0.00 -0.02 0.00 0.00 33.50 32.57 3bvc n PRO 111 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3bvc s GLU 112 N -5.69 4.14 0.00 -0.52 2.12 -1.26 -1.48 118.70 116.01 3bvc s GLU 112 Ca 0.70 2.60 0.00 0.00 0.36 0.00 0.00 54.97 58.63 3bvc s GLU 112 Cb -0.02 -3.62 0.00 0.00 0.26 0.00 0.00 34.13 30.75 3bvc s GLU 112 CO 0.49 -0.85 0.00 0.41 -0.54 0.00 0.00 175.26 174.78 3bvc n GLY 113 N 4.25 0.32 3.75 -1.50 0.00 -0.94 -4.99 105.19 106.08 3bvc n GLY 113 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3bvc n GLY 113 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3bvc s GLY 114 N -1.89 3.05 0.05 -0.02 0.00 -0.55 -4.76 107.32 103.21 3bvc s GLY 114 Ca 0.00 0.78 -0.05 0.00 0.00 0.00 0.00 44.72 45.45 3bvc s GLY 114 CO 0.00 1.42 0.08 -0.56 0.00 0.00 0.00 173.10 174.04 3bvc s SER 115 N -0.83 0.25 -0.07 1.64 0.01 -1.26 -2.03 113.70 111.40 3bvc s SER 115 Ca 0.44 -0.68 0.02 0.00 1.31 0.00 0.00 55.95 57.04 3bvc s SER 115 Cb -0.29 0.24 -0.02 0.00 0.21 0.00 0.00 66.02 66.16 3bvc s SER 115 CO 0.37 -0.58 -0.12 -1.00 0.41 0.00 0.00 173.24 172.32 3bvc s HIS 116 N -3.23 2.79 0.99 2.43 3.76 -0.63 -4.80 115.29 116.61 3bvc s HIS 116 Ca 0.00 -0.20 -0.12 0.00 -0.15 0.00 0.00 55.06 54.59 3bvc s HIS 116 Cb 0.03 -1.70 0.19 0.00 1.11 0.00 0.00 32.58 32.21 3bvc s HIS 116 CO -0.07 0.15 1.10 0.00 -0.85 0.00 0.00 174.74 175.06 3bvc s ALA 117 N -0.53 1.02 -0.07 -1.40 0.00 -1.26 -3.13 121.76 116.39 3bvc s ALA 117 Ca 0.07 -0.40 -0.30 0.00 0.00 0.00 0.00 51.96 51.34 3bvc s ALA 117 Cb -0.12 -3.10 -0.05 0.00 0.00 0.00 0.00 23.12 19.85 3bvc s ALA 117 CO 0.02 -2.80 1.61 0.45 0.00 0.00 0.00 175.76 175.03 3bvc s SER 118 N -3.53 6.70 0.13 0.00 0.15 -1.26 -4.56 113.70 111.32 3bvc s SER 118 Ca 0.65 2.17 -0.16 0.00 0.70 0.00 0.00 55.95 59.31 3bvc s SER 118 Cb -0.18 -2.53 0.03 0.00 -1.71 0.00 0.00 66.02 61.63 3bvc s SER 118 CO 0.57 -0.91 0.40 -1.38 1.20 0.00 0.00 173.24 173.12 3bvc s HIS 119 N 3.98 -0.16 0.52 3.44 -3.43 -1.01 -4.98 115.29 113.65 3bvc s HIS 119 Ca 0.71 -0.17 0.01 0.00 -0.80 0.00 0.00 55.06 54.81 3bvc s HIS 119 Cb -0.32 0.24 -0.00 0.00 -1.43 0.00 0.00 32.58 31.07 3bvc s HIS 119 CO 0.28 -0.71 0.02 0.96 -2.00 0.00 0.00 174.74 173.28 3bvc s ILE 120 N -3.82 0.94 -0.38 -5.38 -4.36 -1.26 -2.47 121.20 104.46 3bvc s ILE 120 Ca 0.04 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.44 3bvc s ILE 120 Cb 0.02 -2.04 0.12 0.00 1.25 0.00 0.00 42.46 41.81 3bvc s ILE 120 CO -0.11 0.00 0.16 -1.00 0.24 0.00 0.00 174.94 174.23 3bvc s HIS 121 N -2.94 2.12 0.84 1.37 3.76 -1.01 -5.09 115.29 114.34 3bvc s HIS 121 Ca 0.03 -2.24 -0.11 0.00 -0.15 0.00 0.00 55.06 52.59 3bvc s HIS 121 Cb 0.00 -1.97 0.10 0.00 1.11 0.00 0.00 32.58 31.82 3bvc s HIS 121 CO 0.02 -0.84 1.13 -2.14 -0.85 0.00 0.00 174.74 172.06 3bvc s PRO 122 N 0.91 1.62 -1.47 8.40 0.02 -1.26 -3.77 135.00 139.45 3bvc s PRO 122 Ca 0.14 1.40 -0.02 0.00 0.02 0.00 0.00 61.00 62.53 3bvc s PRO 122 Cb -0.21 -1.81 0.01 0.00 0.02 0.00 0.00 34.50 32.51 3bvc s PRO 122 CO -0.11 -2.16 0.23 0.72 -0.33 0.00 0.00 177.00 175.35 3bvc n HIS 123 N -3.83 -1.48 -4.05 6.54 8.25 -1.26 -4.97 115.22 114.44 3bvc n HIS 123 Ca 0.11 0.20 -0.08 0.00 -0.26 0.00 0.00 57.72 57.69 3bvc n HIS 123 Cb 0.52 -3.68 -0.10 0.00 1.12 0.00 0.00 29.99 27.85 3bvc n HIS 123 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3bvc s SER 124 N -2.31 0.40 -0.08 0.41 0.01 -1.25 -4.77 113.70 106.12 3bvc s SER 124 Ca 0.13 -0.83 -0.10 0.00 1.31 0.00 0.00 55.95 56.46 3bvc s SER 124 Cb -0.06 0.18 -0.03 0.00 0.21 0.00 0.00 66.02 66.31 3bvc s SER 124 CO 0.17 -0.51 -0.19 0.52 0.41 0.00 0.00 173.24 173.63 3bvc n VAL 125 N 0.56 1.11 -4.64 3.43 0.31 0.27 -4.57 118.33 114.80 3bvc n VAL 125 Ca -0.17 0.25 -0.33 0.00 -0.01 0.00 0.00 64.34 64.08 3bvc n VAL 125 Cb 0.59 -1.95 -0.13 0.00 -0.91 0.00 0.00 33.84 31.43 3bvc n VAL 125 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3bvc s ILE 126 N -2.28 3.37 0.25 2.52 -1.09 -1.10 -0.59 121.20 122.28 3bvc s ILE 126 Ca -0.16 -0.55 0.10 0.00 -2.23 0.00 0.00 60.65 57.81 3bvc s ILE 126 Cb 0.02 -2.44 -0.04 0.00 -1.58 0.00 0.00 42.46 38.42 3bvc s ILE 126 CO 0.24 0.51 -0.07 -0.44 -1.23 0.00 0.00 174.94 173.95 3bvc s SER 127 N 0.34 4.27 0.08 3.58 0.01 -0.04 0.00 113.70 121.95 3bvc s SER 127 Ca -0.08 -0.71 -0.27 0.00 1.31 0.00 0.00 55.95 56.20 3bvc s SER 127 Cb -0.15 -0.70 0.09 0.00 0.21 0.00 0.00 66.02 65.47 3bvc s SER 127 CO 0.05 0.03 1.13 -0.83 0.41 0.00 0.00 173.24 174.03 3bvc s GLY 128 N -3.44 -0.23 -0.09 3.44 0.00 -0.77 -0.97 107.32 105.26 3bvc s GLY 128 Ca 0.30 0.24 -0.05 0.00 0.00 0.00 0.00 44.72 45.21 3bvc s GLY 128 CO 0.18 0.99 0.21 -1.59 0.00 0.00 0.00 173.10 172.89 3bvc s THR 129 N -2.65 -0.04 0.08 0.90 2.01 -0.50 -1.13 115.64 114.32 3bvc s THR 129 Ca 0.16 0.14 0.03 0.00 0.31 0.00 0.00 61.69 62.34 3bvc s THR 129 Cb 0.01 -0.33 -0.04 0.00 0.01 0.00 0.00 72.50 72.14 3bvc s THR 129 CO 0.00 0.06 0.08 0.28 -0.69 0.00 0.00 174.62 174.35 3bvc s THR 130 N 1.13 4.53 -0.23 -0.82 -1.32 -0.15 -1.29 115.64 117.49 3bvc s THR 130 Ca -0.08 -0.78 -0.03 0.00 -1.21 0.00 0.00 61.69 59.59 3bvc s THR 130 Cb -0.10 -3.19 0.01 0.00 -1.51 0.00 0.00 72.50 67.71 3bvc s THR 130 CO -0.07 0.12 -0.05 -0.31 -2.21 0.00 0.00 174.62 172.09 3bvc s TYR 131 N -1.40 2.99 -0.11 9.09 2.02 -0.80 -1.09 117.35 128.04 3bvc s TYR 131 Ca 0.29 -1.19 0.03 0.00 -0.37 0.00 0.00 57.07 55.83 3bvc s TYR 131 Cb -0.12 -2.08 -0.24 0.00 -0.40 0.00 0.00 41.96 39.11 3bvc s TYR 131 CO 0.22 -0.63 0.39 0.28 -1.57 0.00 0.00 175.55 174.24 3bvc n VAL 132 N 4.75 1.67 -3.65 0.71 0.31 0.15 -0.58 118.33 121.68 3bvc n VAL 132 Ca -0.18 -0.71 -0.14 0.00 -0.01 0.00 0.00 64.34 63.30 3bvc n VAL 132 Cb 0.49 -1.37 -0.13 0.00 -0.91 0.00 0.00 33.84 31.92 3bvc n VAL 132 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3bvc s SER 133 N -6.54 0.45 -0.57 4.52 0.15 -0.80 -4.78 113.70 106.13 3bvc s SER 133 Ca -0.16 0.52 0.04 0.00 0.70 0.00 0.00 55.95 57.04 3bvc s SER 133 Cb 0.07 0.64 0.15 0.00 -1.71 0.00 0.00 66.02 65.18 3bvc s SER 133 CO 0.78 -0.25 0.36 -0.04 1.20 0.00 0.00 173.24 175.29 3bvc s MET 134 N 2.40 1.90 0.63 5.44 -1.94 -1.26 -3.01 119.30 123.46 3bvc s MET 134 Ca 0.02 -2.73 -0.06 0.00 -1.71 0.00 0.00 55.69 51.21 3bvc s MET 134 Cb -0.12 -2.92 0.14 0.00 2.01 0.00 0.00 34.83 33.93 3bvc s MET 134 CO -0.09 -1.23 0.86 -0.35 -0.01 0.00 0.00 175.02 174.21 3bvc n PRO 135 N 2.70 -0.43 0.00 2.03 -0.05 -1.26 -4.68 135.00 133.31 3bvc n PRO 135 Ca 0.15 -1.77 0.00 0.00 -0.05 0.00 0.00 63.50 61.83 3bvc n PRO 135 Cb 0.36 -0.75 0.00 0.00 -0.05 0.00 0.00 33.50 33.06 3bvc n PRO 135 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 3bvc n GLY 136 N -1.04 2.12 2.01 0.55 0.00 -1.26 -4.48 105.19 103.10 3bvc n GLY 136 Ca 0.12 -0.33 -0.00 0.00 0.00 0.00 0.00 46.02 45.81 3bvc n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bvc n GLY 137 N 0.00 0.44 3.99 -0.02 0.00 -1.26 -4.98 105.19 103.35 3bvc n GLY 137 Ca 0.00 -0.72 -0.23 0.00 0.00 0.00 0.00 46.02 45.07 3bvc n GLY 137 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3bvc s THR 138 N -2.00 1.80 -0.01 2.61 -4.23 -1.26 -5.07 115.64 107.47 3bvc s THR 138 Ca 0.00 -1.22 -0.30 0.00 -1.18 0.00 0.00 61.69 58.99 3bvc s THR 138 Cb 0.00 -2.02 -0.05 0.00 1.34 0.00 0.00 72.50 71.77 3bvc s THR 138 CO 0.00 0.00 1.30 -0.44 -0.54 0.00 0.00 174.62 174.94 3bvc s SER 139 N -4.54 6.96 0.00 3.99 0.01 -1.26 -4.78 113.70 114.08 3bvc s SER 139 Ca 0.49 1.99 0.24 0.00 1.31 0.00 0.00 55.95 59.98 3bvc s SER 139 Cb -0.04 -2.56 0.52 0.00 0.21 0.00 0.00 66.02 64.15 3bvc s SER 139 CO 0.31 -0.64 1.44 0.00 0.41 0.00 0.00 173.24 174.77 3bvc n ALA 140 N 5.11 2.49 -3.61 1.44 0.00 -0.59 -4.50 120.51 120.84 3bvc n ALA 140 Ca 0.12 -0.67 -0.05 0.00 0.00 0.00 0.00 53.44 52.83 3bvc n ALA 140 Cb 0.45 -0.95 -0.07 0.00 0.00 0.00 0.00 19.45 18.88 3bvc n ALA 140 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3bvc s LEU 141 N -1.84 -0.87 -0.08 0.00 0.20 -1.17 -4.61 118.68 110.31 3bvc s LEU 141 Ca 0.33 1.16 -0.08 0.00 0.69 0.00 0.00 54.13 56.23 3bvc s LEU 141 Cb 0.20 1.74 -0.04 0.00 -0.43 0.00 0.00 46.19 47.66 3bvc s LEU 141 CO 0.31 -0.23 0.21 -0.75 -0.29 0.00 0.00 176.35 175.59 3bvc s LYS 142 N 2.73 3.55 -0.13 1.98 2.20 0.16 -1.00 119.74 129.23 3bvc s LYS 142 Ca -0.01 -0.02 -0.04 0.00 -0.36 0.00 0.00 55.97 55.54 3bvc s LYS 142 Cb -0.12 -3.18 0.05 0.00 -1.51 0.00 0.00 37.83 33.06 3bvc s LYS 142 CO -0.16 0.74 0.07 -1.17 -0.36 0.00 0.00 175.35 174.48 3bvc s LEU 143 N -1.15 0.37 -0.08 5.43 0.20 -0.49 0.31 118.68 123.28 3bvc s LEU 143 Ca 0.19 -0.41 -0.08 0.00 0.69 0.00 0.00 54.13 54.51 3bvc s LEU 143 Cb -0.13 -0.26 -0.04 0.00 -0.43 0.00 0.00 46.19 45.33 3bvc s LEU 143 CO 0.08 -0.31 0.21 -0.70 -0.29 0.00 0.00 176.35 175.34 3bvc s GLU 144 N 2.11 3.55 -0.01 1.98 2.12 -0.10 -0.30 118.70 128.07 3bvc s GLU 144 Ca 0.03 -0.02 -0.36 0.00 0.36 0.00 0.00 54.97 54.98 3bvc s GLU 144 Cb -0.15 -3.18 -0.14 0.00 0.26 0.00 0.00 34.13 30.92 3bvc s GLU 144 CO -0.07 0.75 1.64 -3.47 -0.54 0.00 0.00 175.26 173.57 3bvc n ASP 145 N 1.83 2.75 0.29 -1.70 -0.08 0.28 -4.33 116.55 115.59 3bvc n ASP 145 Ca -0.18 1.06 0.18 0.00 -1.51 0.00 0.00 54.79 54.34 3bvc n ASP 145 Cb 0.54 -1.31 0.75 0.00 2.34 0.00 0.00 41.12 43.45 3bvc n ASP 145 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3bvc h PRO 146 N 6.82 0.00 -0.30 -0.67 0.13 -1.94 -2.84 132.00 133.20 3bvc h PRO 146 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3bvc h PRO 146 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3bvc h PRO 146 CO 0.89 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.21 3bvc n ARG 147 N -3.09 1.88 -0.32 0.86 1.74 -1.26 -4.49 116.66 111.98 3bvc n ARG 147 Ca 0.00 -1.35 -0.03 0.00 -0.77 0.00 0.00 57.85 55.70 3bvc n ARG 147 Cb 0.28 -1.36 0.09 0.00 -1.02 0.00 0.00 32.46 30.44 3bvc n ARG 147 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3bvc h HIS 148 N 2.45 1.07 0.00 -1.55 2.76 -1.89 -1.61 115.15 116.38 3bvc h HIS 148 Ca 0.00 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.11 3bvc h HIS 148 Cb 0.55 -0.36 -0.01 0.00 1.55 0.00 0.00 27.41 29.13 3bvc h HIS 148 CO 0.19 0.66 -0.39 0.00 -1.30 0.00 0.00 177.93 177.10 3bvc h ALA 149 N 1.32 1.31 0.00 5.26 0.00 -1.84 -2.84 119.26 122.46 3bvc h ALA 149 Ca 0.32 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3bvc h ALA 149 Cb -0.11 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3bvc h ALA 149 CO -0.08 0.48 -0.13 0.52 0.00 0.00 0.00 179.25 180.04 3bvc h MET 150 N 0.00 0.00 -1.59 0.00 2.07 -1.61 -3.35 114.93 110.44 3bvc h MET 150 Ca -0.00 0.00 -0.42 0.00 -2.07 0.00 0.00 59.70 57.21 3bvc h MET 150 Cb 0.71 0.00 -0.17 0.00 -1.87 0.00 0.00 31.60 30.27 3bvc h MET 150 CO 0.05 0.13 0.48 -1.33 1.07 0.00 0.00 176.91 177.31 3bvc n MET 151 N -3.18 2.08 0.09 1.72 2.81 -1.03 -4.57 117.12 115.04 3bvc n MET 151 Ca 0.02 -2.00 -0.05 0.00 -1.81 0.00 0.00 57.70 53.86 3bvc n MET 151 Cb 0.49 -1.84 -0.02 0.00 -0.71 0.00 0.00 33.22 31.14 3bvc n MET 151 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 3bvc h MET 152 N 1.96 0.00 0.00 0.03 2.86 -1.78 -3.21 114.93 114.79 3bvc h MET 152 Ca 0.36 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.00 3bvc h MET 152 Cb 0.83 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.49 3bvc h MET 152 CO 0.90 0.86 -1.28 0.00 1.06 0.00 0.00 176.91 178.46 3bvc n ALA 153 N -2.37 4.10 -2.54 6.32 0.00 -1.26 -4.94 120.51 119.81 3bvc n ALA 153 Ca -0.00 -0.56 -0.42 0.00 0.00 0.00 0.00 53.44 52.46 3bvc n ALA 153 Cb 0.83 -0.74 -0.03 0.00 0.00 0.00 0.00 19.45 19.51 3bvc n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bvc s ALA 154 N -3.10 3.30 0.77 0.00 0.00 -1.22 -5.02 121.76 116.49 3bvc s ALA 154 Ca 0.03 0.71 -0.13 0.00 0.00 0.00 0.00 51.96 52.57 3bvc s ALA 154 Cb 0.15 -3.40 0.06 0.00 0.00 0.00 0.00 23.12 19.93 3bvc s ALA 154 CO 0.86 -0.36 1.16 -1.25 0.00 0.00 0.00 175.76 176.16 3bvc s PRO 155 N 1.08 1.96 0.53 0.00 0.04 -1.26 -4.98 135.00 132.37 3bvc s PRO 155 Ca 0.56 1.55 -0.20 0.00 0.04 0.00 0.00 61.00 62.95 3bvc s PRO 155 Cb -0.26 -1.83 -0.06 0.00 0.04 0.00 0.00 34.50 32.39 3bvc s PRO 155 CO 0.28 -1.93 1.18 0.00 0.04 0.00 0.00 177.00 176.58 3bvc s ALA 156 N -2.36 2.75 0.73 8.56 0.00 -1.26 -5.02 121.76 125.15 3bvc s ALA 156 Ca 0.69 0.95 -0.11 0.00 0.00 0.00 0.00 51.96 53.49 3bvc s ALA 156 Cb -0.24 -3.41 0.03 0.00 0.00 0.00 0.00 23.12 19.50 3bvc s ALA 156 CO 0.50 -0.89 1.08 1.03 0.00 0.00 0.00 175.76 177.47 3bvc s ARG 157 N -3.09 2.59 0.97 0.00 1.81 -1.26 -5.03 118.95 114.93 3bvc s ARG 157 Ca 0.71 1.09 -0.12 0.00 -1.72 0.00 0.00 55.73 55.70 3bvc s ARG 157 Cb -0.28 -1.94 0.17 0.00 -0.45 0.00 0.00 34.95 32.44 3bvc s ARG 157 CO 0.33 -1.38 1.09 1.03 -0.68 0.00 0.00 175.30 175.68 3bvc s ARG 158 N -4.90 0.68 0.00 3.54 0.52 -1.26 -4.85 118.95 112.68 3bvc s ARG 158 Ca 0.60 0.80 0.03 0.00 -0.52 0.00 0.00 55.73 56.64 3bvc s ARG 158 Cb -0.16 -1.74 0.14 0.00 0.52 0.00 0.00 34.95 33.71 3bvc s ARG 158 CO 0.54 -2.63 1.04 1.63 0.02 0.00 0.00 175.30 175.91 3bvc n LYS 159 N -4.15 0.01 0.00 3.54 4.01 -1.26 -3.89 118.16 116.42 3bvc n LYS 159 Ca 0.06 0.39 0.00 0.00 -0.51 0.00 0.00 58.31 58.25 3bvc n LYS 159 Cb 0.55 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.57 3bvc n LYS 159 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 3bvc n THR 160 N -1.43 0.00 -2.44 -0.18 -2.24 -1.26 -5.11 114.28 101.62 3bvc n THR 160 Ca 0.01 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.54 3bvc n THR 160 Cb 0.03 0.86 0.11 0.00 -2.10 0.00 0.00 70.33 69.24 3bvc n THR 160 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bvc s ALA 161 N 0.00 3.41 0.86 6.98 0.00 -1.25 -5.06 121.76 126.70 3bvc s ALA 161 Ca 0.00 -1.53 -0.11 0.00 0.00 0.00 0.00 51.96 50.32 3bvc s ALA 161 Cb 0.00 -2.20 0.11 0.00 0.00 0.00 0.00 23.12 21.03 3bvc s ALA 161 CO 0.00 -1.57 1.14 1.03 0.00 0.00 0.00 175.76 176.36 3bvc s ARG 162 N -5.26 1.45 0.34 0.00 3.00 -1.26 -4.91 118.95 112.31 3bvc s ARG 162 Ca 0.66 1.47 0.21 0.00 0.00 0.00 0.00 55.73 58.07 3bvc s ARG 162 Cb -0.06 -1.78 0.19 0.00 0.00 0.00 0.00 34.95 33.30 3bvc s ARG 162 CO 0.45 -2.29 1.42 -0.44 0.00 0.00 0.00 175.30 174.44 3bvc h ASP 163 N -1.52 0.00 -1.01 0.23 5.19 -1.97 -2.54 116.42 114.80 3bvc h ASP 163 Ca -0.44 0.00 0.24 0.00 -0.62 0.00 0.00 57.03 56.22 3bvc h ASP 163 Cb 1.26 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 40.65 3bvc h ASP 163 CO 0.45 0.14 0.60 1.05 -3.12 0.00 0.00 179.24 178.37 3bvc h GLU 164 N 0.00 0.57 0.00 3.56 4.11 -2.02 -3.17 114.58 117.63 3bvc h GLU 164 Ca -0.01 -0.03 -0.27 0.00 0.07 0.00 0.00 59.36 59.12 3bvc h GLU 164 Cb 1.12 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.19 3bvc h GLU 164 CO 0.02 0.38 -1.85 1.28 0.07 0.00 0.00 179.01 178.91 3bvc n LEU 165 N -4.85 0.57 -4.78 3.06 4.77 -0.97 -4.93 117.00 109.87 3bvc n LEU 165 Ca 0.26 0.26 -0.41 0.00 -0.03 0.00 0.00 56.01 56.10 3bvc n LEU 165 Cb 0.74 0.23 -0.00 0.00 -2.33 0.00 0.00 43.42 42.06 3bvc n LEU 165 CO 0.17 0.34 1.13 -0.13 -1.33 0.00 0.00 177.39 177.57 3bvc s ARG 166 N -2.70 4.14 0.19 3.23 1.81 -1.15 -4.91 118.95 119.56 3bvc s ARG 166 Ca -0.06 2.53 0.24 0.00 -1.72 0.00 0.00 55.73 56.73 3bvc s ARG 166 Cb 0.08 -2.98 0.43 0.00 -0.45 0.00 0.00 34.95 32.02 3bvc s ARG 166 CO 0.83 -0.50 1.44 1.96 -0.68 0.00 0.00 175.30 178.35 3bvc h GLN 167 N 3.20 0.00 -4.40 3.54 4.20 -1.91 -3.44 115.11 116.30 3bvc h GLN 167 Ca -0.50 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 57.70 3bvc h GLN 167 Cb 1.24 0.00 -0.34 0.00 0.30 0.00 0.00 27.48 28.67 3bvc h GLN 167 CO 0.66 0.00 -0.81 -0.06 -0.67 0.00 0.00 178.83 177.95 3bvc s PHE 168 N -3.18 1.37 -0.21 2.96 0.08 -1.26 -0.56 117.98 117.18 3bvc s PHE 168 Ca 0.07 -0.54 -0.03 0.00 0.12 0.00 0.00 56.93 56.55 3bvc s PHE 168 Cb 0.12 -1.06 -0.00 0.00 -0.57 0.00 0.00 43.02 41.51 3bvc s PHE 168 CO 0.69 -0.32 -0.08 0.42 -0.10 0.00 0.00 175.22 175.83 3bvc s ILE 169 N 0.95 3.08 -0.23 0.64 -1.09 0.59 -4.94 121.20 120.21 3bvc s ILE 169 Ca -0.09 -0.59 -0.11 0.00 -2.23 0.00 0.00 60.65 57.63 3bvc s ILE 169 Cb -0.15 -2.38 -0.05 0.00 -1.58 0.00 0.00 42.46 38.30 3bvc s ILE 169 CO 0.00 0.45 0.17 -0.31 -1.23 0.00 0.00 174.94 174.03 3bvc s TYR 170 N 1.44 3.34 -0.12 3.97 1.51 -1.26 -1.40 117.35 124.84 3bvc s TYR 170 Ca 0.06 0.28 0.00 0.00 -1.01 0.00 0.00 57.07 56.40 3bvc s TYR 170 Cb -0.14 -2.26 -0.02 0.00 -0.11 0.00 0.00 41.96 39.43 3bvc s TYR 170 CO -0.05 0.11 -0.12 0.08 -1.11 0.00 0.00 175.55 174.46 3bvc s VAL 171 N 0.91 3.17 -0.59 0.71 1.01 -0.17 -5.03 120.40 120.41 3bvc s VAL 171 Ca 0.09 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.45 3bvc s VAL 171 Cb -0.13 -2.32 0.15 0.00 0.00 0.00 0.00 36.38 34.08 3bvc s VAL 171 CO 0.03 0.54 0.36 -0.89 0.00 0.00 0.00 175.10 175.14 3bvc s THR 172 N 0.11 3.02 0.33 3.92 2.01 -1.26 -1.55 115.64 122.22 3bvc s THR 172 Ca -0.05 -3.37 -0.20 0.00 0.31 0.00 0.00 61.69 58.37 3bvc s THR 172 Cb -0.15 -3.03 -0.10 0.00 0.01 0.00 0.00 72.50 69.24 3bvc s THR 172 CO 0.04 -0.86 0.84 -2.16 -0.69 0.00 0.00 174.62 171.80 3bvc s PRO 173 N -0.43 4.27 0.70 4.92 0.04 -1.26 -5.01 135.00 138.23 3bvc s PRO 173 Ca 0.18 1.00 -0.05 0.00 0.04 0.00 0.00 61.00 62.17 3bvc s PRO 173 Cb -0.21 -2.55 0.08 0.00 0.04 0.00 0.00 34.50 31.86 3bvc s PRO 173 CO -0.03 0.19 1.00 0.00 0.04 0.00 0.00 177.00 178.19 3bvc s ALA 174 N -1.84 3.29 0.30 8.56 0.00 -1.26 -4.95 121.76 125.86 3bvc s ALA 174 Ca 0.53 -1.16 -0.30 0.00 0.00 0.00 0.00 51.96 51.03 3bvc s ALA 174 Cb -0.13 -2.42 -0.11 0.00 0.00 0.00 0.00 23.12 20.45 3bvc s ALA 174 CO 0.19 -1.34 1.52 0.14 0.00 0.00 0.00 175.76 176.27 3bvc s VAL 175 N -3.20 2.25 0.00 0.00 -7.23 -1.26 -2.53 120.40 108.42 3bvc s VAL 175 Ca 0.62 0.22 0.00 0.00 -1.81 0.00 0.00 61.98 61.01 3bvc s VAL 175 Cb -0.09 -3.14 0.00 0.00 0.56 0.00 0.00 36.38 33.71 3bvc s VAL 175 CO 0.44 0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.88 3bvc n GLY 176 N 1.83 0.88 3.82 2.32 0.00 0.25 -5.00 105.19 109.28 3bvc n GLY 176 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 3bvc n GLY 176 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3bvc s ASP 177 N -2.88 6.62 -0.07 1.61 1.11 -1.05 -0.48 116.67 121.53 3bvc s ASP 177 Ca 0.00 1.74 0.05 0.00 0.18 0.00 0.00 52.55 54.52 3bvc s ASP 177 Cb 0.00 -2.54 -0.01 0.00 1.07 0.00 0.00 42.92 41.45 3bvc s ASP 177 CO 0.00 -0.59 -0.23 0.54 1.18 0.00 0.00 175.17 176.07 3bvc s VAL 178 N -2.24 1.91 -0.14 -1.27 0.11 0.56 -1.91 120.40 117.42 3bvc s VAL 178 Ca 0.63 -0.97 -0.01 0.00 -2.93 0.00 0.00 61.98 58.71 3bvc s VAL 178 Cb -0.12 -1.63 -0.02 0.00 -1.53 0.00 0.00 36.38 33.09 3bvc s VAL 178 CO 0.21 0.53 -0.12 -0.76 -3.33 0.00 0.00 175.10 171.63 3bvc s LEU 179 N 0.06 2.78 0.11 2.54 1.43 -0.42 -2.20 118.68 122.99 3bvc s LEU 179 Ca -0.09 -0.31 0.09 0.00 -1.03 0.00 0.00 54.13 52.79 3bvc s LEU 179 Cb -0.15 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 3bvc s LEU 179 CO 0.05 0.16 -0.22 -0.76 0.23 0.00 0.00 176.35 175.81 3bvc s LEU 180 N 0.39 2.32 0.19 1.79 1.43 0.02 -1.40 118.68 123.42 3bvc s LEU 180 Ca -0.09 -0.72 -0.14 0.00 -1.03 0.00 0.00 54.13 52.14 3bvc s LEU 180 Cb -0.16 -0.95 0.01 0.00 0.03 0.00 0.00 46.19 45.12 3bvc s LEU 180 CO 0.05 0.08 0.45 -1.66 0.23 0.00 0.00 176.35 175.49 3bvc s TRP 181 N -1.23 0.10 0.22 0.29 -2.14 -0.14 -1.36 118.94 114.68 3bvc s TRP 181 Ca 0.09 -0.46 -0.30 0.00 2.66 0.00 0.00 56.10 58.10 3bvc s TRP 181 Cb -0.10 0.24 -0.08 0.00 -3.10 0.00 0.00 33.47 30.43 3bvc s TRP 181 CO 0.05 -0.88 1.03 -1.21 -2.66 0.00 0.00 176.95 173.29 3bvc s GLU 182 N -3.92 4.70 0.62 3.25 2.02 -1.26 -0.86 118.70 123.25 3bvc s GLU 182 Ca 0.13 1.64 0.38 0.00 0.02 0.00 0.00 54.97 57.14 3bvc s GLU 182 Cb 0.00 -3.27 2.02 0.00 0.10 0.00 0.00 34.13 32.99 3bvc s GLU 182 CO -0.00 0.27 2.25 0.77 0.02 0.00 0.00 175.26 178.57 3bvc h SER 183 N 4.52 0.00 0.88 -0.19 0.02 -1.09 -1.52 113.55 116.16 3bvc h SER 183 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 3bvc h SER 183 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3bvc h SER 183 CO 0.69 0.02 0.00 -2.67 -1.14 0.00 0.00 176.83 173.73 3bvc n TRP 184 N -3.31 0.34 -2.06 3.45 4.27 -1.26 -2.41 117.44 116.46 3bvc n TRP 184 Ca -0.02 0.12 -0.42 0.00 -3.89 0.00 0.00 57.50 53.28 3bvc n TRP 184 Cb 0.13 -0.69 -0.03 0.00 -1.36 0.00 0.00 31.31 29.36 3bvc n TRP 184 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 3bvc s LEU 185 N -3.59 4.35 -0.12 5.67 2.96 -0.57 -4.90 118.68 122.48 3bvc s LEU 185 Ca 0.09 2.37 -0.30 0.00 -0.22 0.00 0.00 54.13 56.08 3bvc s LEU 185 Cb 0.13 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 43.23 3bvc s LEU 185 CO 0.43 -0.79 1.22 -0.60 -1.32 0.00 0.00 176.35 175.30 3bvc s ARG 186 N 2.03 4.29 0.03 1.98 3.52 -1.26 -4.58 118.95 124.95 3bvc s ARG 186 Ca 0.69 1.65 -0.04 0.00 -0.13 0.00 0.00 55.73 57.90 3bvc s ARG 186 Cb -0.38 -3.67 -0.01 0.00 -1.56 0.00 0.00 34.95 29.33 3bvc s ARG 186 CO 0.30 -0.59 0.06 -3.38 -0.81 0.00 0.00 175.30 170.88 3bvc s HIS 187 N 2.91 0.21 0.01 5.12 -3.43 -1.03 -0.92 115.29 118.15 3bvc s HIS 187 Ca 0.55 -0.47 0.02 0.00 -0.80 0.00 0.00 55.06 54.35 3bvc s HIS 187 Cb -0.23 -0.15 -0.01 0.00 -1.43 0.00 0.00 32.58 30.76 3bvc s HIS 187 CO 0.17 -0.30 -0.06 -2.00 -2.00 0.00 0.00 174.74 170.56 3bvc s GLU 188 N -2.09 0.45 -0.33 -0.38 2.12 0.15 -2.40 118.70 116.22 3bvc s GLU 188 Ca -0.10 -0.35 -0.10 0.00 0.36 0.00 0.00 54.97 54.78 3bvc s GLU 188 Cb -0.05 -0.37 0.00 0.00 0.26 0.00 0.00 34.13 33.98 3bvc s GLU 188 CO -0.02 0.09 0.17 0.08 -0.54 0.00 0.00 175.26 175.04 3bvc s VAL 189 N -0.49 4.60 0.92 3.70 1.01 -1.18 0.36 120.40 129.32 3bvc s VAL 189 Ca -0.02 -0.53 -0.12 0.00 0.00 0.00 0.00 61.98 61.31 3bvc s VAL 189 Cb -0.04 -3.41 0.14 0.00 0.00 0.00 0.00 36.38 33.07 3bvc s VAL 189 CO -0.00 -0.01 1.11 -2.84 0.00 0.00 0.00 175.10 173.35 3bvc s PRO 190 N 1.60 1.05 0.20 2.72 0.02 -1.26 -1.60 135.00 137.73 3bvc s PRO 190 Ca 0.04 0.52 -0.31 0.00 0.02 0.00 0.00 61.00 61.27 3bvc s PRO 190 Cb -0.18 -1.81 -0.10 0.00 0.02 0.00 0.00 34.50 32.44 3bvc s PRO 190 CO 0.06 -2.31 1.45 1.41 -0.33 0.00 0.00 177.00 177.28 3bvc s MET 191 N -5.08 4.28 -0.36 5.54 1.75 -1.26 -4.67 119.30 119.50 3bvc s MET 191 Ca 0.64 2.25 -0.28 0.00 -1.25 0.00 0.00 55.69 57.04 3bvc s MET 191 Cb -0.17 -3.15 -0.01 0.00 2.84 0.00 0.00 34.83 34.34 3bvc s MET 191 CO 0.56 -0.45 1.70 1.21 -0.65 0.00 0.00 175.02 177.39 3bvc s ASN 192 N 0.68 5.99 0.21 1.11 2.47 -0.86 -4.87 114.94 119.67 3bvc s ASN 192 Ca 0.63 1.16 0.24 0.00 0.42 0.00 0.00 52.86 55.31 3bvc s ASN 192 Cb -0.41 -2.53 0.29 0.00 -1.45 0.00 0.00 41.25 37.15 3bvc s ASN 192 CO 0.37 -1.65 1.34 0.24 -3.72 0.00 0.00 177.10 173.68 3bvc h MET 193 N 12.36 0.00 -6.61 0.43 2.86 -1.92 -2.49 114.93 119.56 3bvc h MET 193 Ca -0.32 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 56.83 3bvc h MET 193 Cb 1.15 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.82 3bvc h MET 193 CO 1.05 0.00 -0.11 -1.54 1.06 0.00 0.00 176.91 177.37 3bvc s SER 194 N -4.96 6.33 0.16 1.22 1.04 -1.26 -5.00 113.70 111.24 3bvc s SER 194 Ca 0.05 0.64 -0.06 0.00 0.48 0.00 0.00 55.95 57.06 3bvc s SER 194 Cb 0.11 -2.12 0.02 0.00 0.10 0.00 0.00 66.02 64.13 3bvc s SER 194 CO 0.72 -0.33 1.44 -0.33 0.98 0.00 0.00 173.24 175.72 3bvc h GLU 195 N 0.92 0.62 -7.44 4.02 5.08 -1.98 -3.35 114.58 112.44 3bvc h GLU 195 Ca -0.48 -0.43 -0.49 0.00 -1.00 0.00 0.00 59.36 56.95 3bvc h GLU 195 Cb 1.21 0.07 0.10 0.00 0.50 0.00 0.00 28.75 30.62 3bvc h GLU 195 CO 0.63 1.05 0.37 -0.51 -1.00 0.00 0.00 179.01 179.55 3bvc s ASP 196 N -6.97 4.85 0.50 1.42 1.01 -1.26 -4.10 116.67 112.11 3bvc s ASP 196 Ca -0.08 1.22 -0.20 0.00 0.71 0.00 0.00 52.55 54.20 3bvc s ASP 196 Cb 0.10 -1.97 -0.08 0.00 1.01 0.00 0.00 42.92 41.99 3bvc s ASP 196 CO 0.86 -1.73 1.03 -1.81 0.21 0.00 0.00 175.17 173.73 3bvc s ASP 197 N -4.10 6.32 -0.37 0.27 1.01 -1.26 -4.54 116.67 114.00 3bvc s ASP 197 Ca 0.60 1.89 -0.08 0.00 0.71 0.00 0.00 52.55 55.66 3bvc s ASP 197 Cb -0.13 -2.55 0.05 0.00 1.01 0.00 0.00 42.92 41.29 3bvc s ASP 197 CO 0.53 -0.80 0.17 -0.60 0.21 0.00 0.00 175.17 174.68 3bvc s ARG 198 N -3.37 2.66 -0.21 8.23 3.52 0.06 -4.57 118.95 125.26 3bvc s ARG 198 Ca 0.66 -1.22 -0.07 0.00 -0.13 0.00 0.00 55.73 54.97 3bvc s ARG 198 Cb -0.16 -3.60 -0.03 0.00 -1.56 0.00 0.00 34.95 29.60 3bvc s ARG 198 CO 0.22 -0.74 0.06 0.42 -0.81 0.00 0.00 175.30 174.45 3bvc s ILE 199 N 1.44 4.47 0.05 4.11 1.01 -1.16 -0.44 121.20 130.68 3bvc s ILE 199 Ca 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 60.65 60.49 3bvc s ILE 199 Cb -0.20 -3.05 -0.03 0.00 0.01 0.00 0.00 42.46 39.19 3bvc s ILE 199 CO 0.04 0.40 0.03 -0.94 0.00 0.00 0.00 174.94 174.46 3bvc s SER 200 N 1.02 0.33 -0.22 3.58 1.04 -0.28 -0.68 113.70 118.49 3bvc s SER 200 Ca 0.04 -0.78 0.01 0.00 0.48 0.00 0.00 55.95 55.70 3bvc s SER 200 Cb -0.14 0.21 0.05 0.00 0.10 0.00 0.00 66.02 66.24 3bvc s SER 200 CO 0.03 -0.56 -0.10 -0.69 0.98 0.00 0.00 173.24 172.91 3bvc s VAL 201 N -3.27 1.73 0.27 5.02 1.01 -0.25 -0.47 120.40 124.44 3bvc s VAL 201 Ca 0.01 -1.17 0.06 0.00 0.00 0.00 0.00 61.98 60.88 3bvc s VAL 201 Cb 0.03 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 3bvc s VAL 201 CO -0.08 0.08 0.33 -0.44 0.00 0.00 0.00 175.10 174.99 3bvc s SER 202 N 1.34 5.92 -0.01 3.32 0.01 -0.64 -0.98 113.70 122.66 3bvc s SER 202 Ca -0.04 -0.13 -0.29 0.00 1.31 0.00 0.00 55.95 56.81 3bvc s SER 202 Cb -0.17 -1.52 0.08 0.00 0.21 0.00 0.00 66.02 64.62 3bvc s SER 202 CO -0.07 -0.16 0.74 0.72 0.41 0.00 0.00 173.24 174.88 3bvc s PHE 203 N -2.09 -0.54 0.01 2.43 -0.12 -0.28 -0.94 117.98 116.45 3bvc s PHE 203 Ca 0.36 0.74 0.08 0.00 -0.05 0.00 0.00 56.93 58.07 3bvc s PHE 203 Cb -0.08 0.47 -0.02 0.00 -0.63 0.00 0.00 43.02 42.75 3bvc s PHE 203 CO 0.28 -0.61 -0.25 -0.80 -0.05 0.00 0.00 175.22 173.78 3bvc s ASN 204 N -1.70 3.02 -0.14 1.98 0.01 0.46 -1.86 114.94 116.72 3bvc s ASN 204 Ca -0.05 -0.52 0.02 0.00 -0.71 0.00 0.00 52.86 51.60 3bvc s ASN 204 Cb -0.00 -0.30 0.00 0.00 0.41 0.00 0.00 41.25 41.35 3bvc s ASN 204 CO 0.01 0.28 -0.19 -0.31 -1.51 0.00 0.00 177.10 175.37 3bvc s TYR 205 N -0.70 2.70 0.54 2.20 1.51 0.10 -0.02 117.35 123.68 3bvc s TYR 205 Ca 0.10 -1.12 0.06 0.00 -1.01 0.00 0.00 57.07 55.11 3bvc s TYR 205 Cb -0.10 -1.83 0.04 0.00 -0.11 0.00 0.00 41.96 39.97 3bvc s TYR 205 CO 0.01 -0.49 0.46 -0.98 -1.11 0.00 0.00 175.55 173.43 3bvc s ARG 206 N 0.69 2.28 0.02 -0.62 1.70 0.21 -0.56 118.95 122.67 3bvc s ARG 206 Ca -0.09 -1.92 -0.02 0.00 -0.47 0.00 0.00 55.73 53.23 3bvc s ARG 206 Cb -0.16 -2.20 -0.01 0.00 -0.57 0.00 0.00 34.95 32.01 3bvc s ARG 206 CO 0.01 -0.62 -0.03 1.87 -1.08 0.00 0.00 175.30 175.45 3bvc n TRP 207 N -1.82 0.00 0.46 5.89 -0.00 -1.26 -1.19 117.44 119.52 3bvc n TRP 207 Ca 0.02 0.00 0.04 0.00 -0.00 0.00 0.00 57.50 57.55 3bvc n TRP 207 Cb 0.64 -0.05 0.22 0.00 -0.00 0.00 0.00 31.31 32.12 3bvc n TRP 207 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69