#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bdv n GLN 2 N 0.00 0.00 -0.11 1.61 6.02 -1.26 -4.79 117.38 118.85 3bdv n GLN 2 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.91 3bdv n GLN 2 Cb 0.00 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.24 3bdv n GLN 2 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 3bdv h THR 3 N 0.00 0.24 -0.56 5.09 2.02 -1.99 0.10 112.91 117.81 3bdv h THR 3 Ca 0.00 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.09 3bdv h THR 3 Cb 0.00 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 66.63 3bdv h THR 3 CO 0.00 0.00 -0.02 0.71 0.37 0.00 0.00 175.52 176.58 3bdv h THR 4 N -0.26 1.26 -0.20 3.16 1.35 -1.99 0.62 112.91 116.86 3bdv h THR 4 Ca 0.17 -1.14 -0.17 0.00 -0.55 0.00 0.00 66.41 64.71 3bdv h THR 4 Cb 0.53 0.85 -0.00 0.00 -1.73 0.00 0.00 68.15 67.80 3bdv h THR 4 CO -0.52 0.41 -0.57 -0.08 -0.25 0.00 0.00 175.52 174.50 3bdv h GLU 5 N 0.90 0.64 -0.51 4.72 4.81 -1.91 -1.39 114.58 121.84 3bdv h GLU 5 Ca 0.16 -0.42 -0.08 0.00 -0.13 0.00 0.00 59.36 58.90 3bdv h GLU 5 Cb 0.56 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 3bdv h GLU 5 CO 0.03 1.03 0.01 0.97 -0.73 0.00 0.00 179.01 180.33 3bdv h ILE 6 N 0.48 1.26 -0.74 2.32 6.09 -0.43 -1.92 117.51 124.57 3bdv h ILE 6 Ca 0.00 -1.06 -0.04 0.00 -1.37 0.00 0.00 64.86 62.40 3bdv h ILE 6 Cb 1.14 0.95 -0.03 0.00 0.47 0.00 0.00 36.82 39.35 3bdv h ILE 6 CO 0.11 0.37 0.32 0.44 -3.07 0.00 0.00 178.15 176.33 3bdv h ASP 7 N 0.75 1.00 -0.40 2.19 3.32 -0.75 -0.18 116.42 122.35 3bdv h ASP 7 Ca 0.15 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 3bdv h ASP 7 Cb 0.50 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 3bdv h ASP 7 CO 0.02 0.88 0.15 -0.07 -1.72 0.00 0.00 179.24 178.50 3bdv h LEU 8 N 1.06 0.57 -0.47 1.55 3.38 -1.17 0.27 115.31 120.49 3bdv h LEU 8 Ca 0.25 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 3bdv h LEU 8 Cb 0.17 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3bdv h LEU 8 CO -0.03 0.60 0.08 0.03 0.09 0.00 0.00 178.44 179.21 3bdv h ARG 9 N 0.51 0.79 -0.09 1.13 3.08 -1.11 -1.96 114.38 116.72 3bdv h ARG 9 Ca 0.13 -0.21 -0.14 0.00 0.07 0.00 0.00 59.98 59.83 3bdv h ARG 9 Cb 0.22 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3bdv h ARG 9 CO -0.01 0.80 -0.55 -0.07 -1.07 0.00 0.00 179.97 179.07 3bdv h LEU 10 N 0.66 0.31 -0.72 3.04 3.38 -0.89 -1.88 115.31 119.20 3bdv h LEU 10 Ca 0.14 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3bdv h LEU 10 Cb 0.39 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3bdv h LEU 10 CO 0.01 0.80 0.39 0.74 0.09 0.00 0.00 178.44 180.47 3bdv h THR 11 N 0.21 1.22 -0.64 0.22 2.02 -0.74 -1.23 112.91 113.98 3bdv h THR 11 Ca 0.00 -0.56 -0.04 0.00 0.77 0.00 0.00 66.41 66.58 3bdv h THR 11 Cb 1.03 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 3bdv h THR 11 CO 0.09 0.25 0.23 -0.33 0.37 0.00 0.00 175.52 176.13 3bdv h GLU 12 N 1.00 0.97 -0.91 6.66 4.39 -1.08 -2.83 114.58 122.77 3bdv h GLU 12 Ca 0.25 -0.19 0.03 0.00 0.34 0.00 0.00 59.36 59.80 3bdv h GLU 12 Cb 0.04 -0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 28.49 3bdv h GLU 12 CO -0.04 0.83 0.59 0.28 -1.16 0.00 0.00 179.01 179.51 3bdv h VAL 13 N 0.90 1.16 0.00 3.13 2.07 -1.01 -2.42 116.25 120.09 3bdv h VAL 13 Ca 0.21 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.33 3bdv h VAL 13 Cb 0.24 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 3bdv h VAL 13 CO -0.01 0.21 0.00 0.28 0.02 0.00 0.00 177.57 178.07 3bdv h SER 14 N 1.16 0.00 0.17 0.57 0.02 -0.99 -0.77 113.55 113.71 3bdv h SER 14 Ca 0.36 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.30 3bdv h SER 14 Cb -0.02 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 3bdv h SER 14 CO -0.11 0.00 -0.02 1.56 -1.14 0.00 0.00 176.83 177.12 3bdv h GLN 15 N 0.00 0.00 0.00 3.45 1.08 -1.31 -3.34 115.11 114.98 3bdv h GLN 15 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3bdv h GLN 15 Cb 0.25 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 3bdv h GLN 15 CO 0.00 0.02 -0.46 1.04 -0.95 0.00 0.00 178.83 178.47 3bdv n GLN 16 N -3.36 3.04 -4.37 1.46 6.02 -0.60 -5.08 117.38 114.49 3bdv n GLN 16 Ca -0.02 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.73 3bdv n GLN 16 Cb 0.12 -0.71 -0.13 0.00 1.02 0.00 0.00 30.24 30.54 3bdv n GLN 16 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3bdv s LEU 17 N -1.46 2.25 0.00 1.08 1.43 -0.40 -4.32 118.68 117.26 3bdv s LEU 17 Ca 0.00 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 52.49 3bdv s LEU 17 Cb 0.00 -0.83 0.00 0.00 0.03 0.00 0.00 46.19 45.39 3bdv s LEU 17 CO 0.00 0.07 0.00 0.41 0.23 0.00 0.00 176.35 177.06 3bdv n THR 18 N 1.41 0.00 -3.20 5.49 -1.04 -0.27 -4.16 114.28 112.50 3bdv n THR 18 Ca -0.19 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 61.86 3bdv n THR 18 Cb 0.54 -0.27 -0.03 0.00 -1.82 0.00 0.00 70.33 68.75 3bdv n THR 18 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3bdv s VAL 20 N 1.94 -0.24 -0.19 12.58 1.01 -0.13 -0.76 120.40 134.61 3bdv s VAL 20 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 3bdv s VAL 20 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.38 3bdv s VAL 20 CO 0.00 0.00 1.04 -0.76 0.00 0.00 0.00 175.10 175.38 3bdv s LEU 21 N 2.67 4.15 -0.50 3.92 1.43 0.25 -0.24 118.68 130.36 3bdv s LEU 21 Ca -0.03 1.44 -0.02 0.00 -1.03 0.00 0.00 54.13 54.50 3bdv s LEU 21 Cb -0.07 -3.55 0.13 0.00 0.03 0.00 0.00 46.19 42.74 3bdv s LEU 21 CO -0.12 -0.60 0.29 -0.69 0.23 0.00 0.00 176.35 175.45 3bdv s VAL 22 N 2.82 3.29 0.83 -1.59 1.01 0.70 -1.86 120.40 125.61 3bdv s VAL 22 Ca 0.46 -2.56 -0.11 0.00 0.00 0.00 0.00 61.98 59.77 3bdv s VAL 22 Cb -0.16 -3.22 0.09 0.00 0.00 0.00 0.00 36.38 33.09 3bdv s VAL 22 CO 0.10 -0.77 1.09 -2.84 0.00 0.00 0.00 175.10 172.69 3bdv s PRO 23 N 0.51 1.76 0.00 2.72 0.02 -1.26 -1.74 135.00 137.01 3bdv s PRO 23 Ca 0.13 1.04 0.00 0.00 0.02 0.00 0.00 61.00 62.19 3bdv s PRO 23 Cb -0.22 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.45 3bdv s PRO 23 CO -0.04 -1.95 0.00 0.41 -0.33 0.00 0.00 177.00 175.09 3bdv n GLY 24 N -1.09 1.45 3.72 0.52 0.00 -1.17 -3.71 105.19 104.90 3bdv n GLY 24 Ca 0.08 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 3bdv n GLY 24 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bdv n LEU 25 N 0.00 3.93 0.00 0.99 7.99 -1.26 -1.99 117.00 126.66 3bdv n LEU 25 Ca 0.00 1.20 0.00 0.00 -0.01 0.00 0.00 56.01 57.20 3bdv n LEU 25 Cb 0.00 -1.53 0.00 0.00 -0.11 0.00 0.00 43.42 41.78 3bdv n LEU 25 CO 0.00 -0.22 0.00 0.54 -1.51 0.00 0.00 177.39 176.20 3bdv n ARG 26 N 0.96 -0.16 -0.51 3.23 1.74 0.31 -4.80 116.66 117.45 3bdv n ARG 26 Ca 0.05 0.04 0.07 0.00 -0.77 0.00 0.00 57.85 57.24 3bdv n ARG 26 Cb 0.36 -3.23 -0.02 0.00 -1.02 0.00 0.00 32.46 28.55 3bdv n ARG 26 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3bdv n ASP 27 N -0.08 -3.05 -4.63 0.55 -0.08 -0.84 -4.81 116.55 103.61 3bdv n ASP 27 Ca 0.00 0.36 -0.39 0.00 -1.51 0.00 0.00 54.79 53.25 3bdv n ASP 27 Cb 0.04 -1.64 -0.08 0.00 2.34 0.00 0.00 41.12 41.78 3bdv n ASP 27 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 3bdv s SER 28 N -5.73 6.35 1.13 1.67 0.01 -1.26 -4.81 113.70 111.06 3bdv s SER 28 Ca 0.00 0.41 -0.19 0.00 1.31 0.00 0.00 55.95 57.48 3bdv s SER 28 Cb 0.00 -2.23 0.27 0.00 0.21 0.00 0.00 66.02 64.27 3bdv s SER 28 CO 0.00 -0.18 1.21 1.51 0.41 0.00 0.00 173.24 176.19 3bdv s ASP 29 N 1.44 1.55 0.49 2.44 1.47 -1.26 -4.80 116.67 118.00 3bdv s ASP 29 Ca 0.18 0.38 0.16 0.00 1.18 0.00 0.00 52.55 54.45 3bdv s ASP 29 Cb -0.15 -0.47 1.17 0.00 -0.34 0.00 0.00 42.92 43.13 3bdv s ASP 29 CO 0.09 -3.71 2.08 0.44 0.68 0.00 0.00 175.17 174.75 3bdv h ASP 30 N -2.31 0.00 -0.00 2.11 3.32 -1.98 -2.15 116.42 115.41 3bdv h ASP 30 Ca -0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.62 3bdv h ASP 30 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 3bdv h ASP 30 CO 0.31 0.09 -0.09 -0.62 -1.72 0.00 0.00 179.24 177.21 3bdv n GLU 31 N -4.39 1.86 -2.33 3.56 -0.58 -1.26 -4.36 120.64 113.14 3bdv n GLU 31 Ca -0.03 -1.40 -0.38 0.00 -0.42 0.00 0.00 57.16 54.93 3bdv n GLU 31 Cb 0.17 -1.47 -0.02 0.00 -0.57 0.00 0.00 31.44 29.54 3bdv n GLU 31 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 3bdv s HIS 32 N -2.11 3.14 0.32 -0.32 2.46 -0.81 -0.47 115.29 117.50 3bdv s HIS 32 Ca 0.29 1.57 0.09 0.00 0.47 0.00 0.00 55.06 57.48 3bdv s HIS 32 Cb 0.20 -3.37 0.85 0.00 -0.13 0.00 0.00 32.58 30.12 3bdv s HIS 32 CO 0.37 -1.20 1.75 0.11 -2.47 0.00 0.00 174.74 173.29 3bdv h TRP 33 N 2.81 1.02 -0.22 3.88 5.08 -1.25 0.94 115.95 128.20 3bdv h TRP 33 Ca -0.48 0.03 -0.02 0.00 1.08 0.00 0.00 58.89 59.50 3bdv h TRP 33 Cb 1.23 -0.30 -0.01 0.00 -3.00 0.00 0.00 29.16 27.08 3bdv h TRP 33 CO 0.56 0.12 0.04 1.96 -1.28 0.00 0.00 178.44 179.84 3bdv h GLN 34 N 0.64 0.31 0.01 0.12 4.20 -1.88 0.21 115.11 118.72 3bdv h GLN 34 Ca 0.62 -0.04 -0.23 0.00 0.06 0.00 0.00 58.65 59.06 3bdv h GLN 34 Cb 1.12 -0.06 0.02 0.00 0.30 0.00 0.00 27.48 28.86 3bdv h GLN 34 CO -0.44 0.31 -0.91 0.77 -0.67 0.00 0.00 178.83 177.89 3bdv h SER 35 N 0.31 0.79 -0.58 1.46 0.02 -1.11 -1.02 113.55 113.42 3bdv h SER 35 Ca 0.08 -0.75 0.10 0.00 -0.84 0.00 0.00 61.79 60.38 3bdv h SER 35 Cb 0.15 -0.24 -0.08 0.00 0.14 0.00 0.00 62.40 62.37 3bdv h SER 35 CO -0.00 1.44 0.14 0.45 -1.14 0.00 0.00 176.83 177.72 3bdv h HIS 36 N 0.22 0.23 -0.43 3.45 3.86 -0.83 -1.75 115.15 119.90 3bdv h HIS 36 Ca -0.12 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.01 3bdv h HIS 36 Cb 1.59 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 30.03 3bdv h HIS 36 CO 0.12 0.00 -0.18 -1.49 0.86 0.00 0.00 177.93 177.24 3bdv h TRP 37 N 0.29 0.94 -0.35 2.45 4.06 -0.84 -0.20 115.95 122.30 3bdv h TRP 37 Ca 0.30 -0.20 -0.01 0.00 2.06 0.00 0.00 58.89 61.04 3bdv h TRP 37 Cb 0.42 -0.23 -0.02 0.00 -1.00 0.00 0.00 29.16 28.33 3bdv h TRP 37 CO -0.23 0.95 0.20 1.49 -3.56 0.00 0.00 178.44 177.29 3bdv h GLU 38 N 0.74 0.49 -0.69 0.49 4.81 -0.99 0.17 114.58 119.60 3bdv h GLU 38 Ca 0.11 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 3bdv h GLU 38 Cb 0.70 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.95 3bdv h GLU 38 CO 0.05 0.41 0.23 0.00 -0.73 0.00 0.00 179.01 178.97 3bdv h ARG 39 N 0.45 1.04 -0.02 1.92 3.08 -1.06 -3.14 114.38 116.65 3bdv h ARG 39 Ca 0.12 -0.20 -0.12 0.00 0.07 0.00 0.00 59.98 59.85 3bdv h ARG 39 Cb 0.05 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 3bdv h ARG 39 CO -0.02 0.88 -0.55 -0.09 -1.07 0.00 0.00 179.97 179.12 3bdv h ARG 40 N 1.01 0.07 -2.52 0.04 2.43 -0.61 -3.38 114.38 111.41 3bdv h ARG 40 Ca 0.23 -0.04 -0.60 0.00 -0.81 0.00 0.00 59.98 58.76 3bdv h ARG 40 Cb 0.26 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 29.42 3bdv h ARG 40 CO -0.01 0.60 -0.84 1.19 -1.51 0.00 0.00 179.97 179.40 3bdv n PHE 41 N -3.90 0.80 0.31 2.20 3.72 0.01 -4.99 117.46 115.62 3bdv n PHE 41 Ca -0.02 -3.72 0.08 0.00 -0.05 0.00 0.00 57.45 53.75 3bdv n PHE 41 Cb 0.56 -0.15 0.35 0.00 -0.94 0.00 0.00 39.48 39.30 3bdv n PHE 41 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3bdv n PRO 42 N 2.22 0.08 0.10 -1.08 -0.02 -1.19 -0.78 135.00 134.33 3bdv n PRO 42 Ca 0.26 0.42 0.13 0.00 -2.02 0.00 0.00 63.50 62.28 3bdv n PRO 42 Cb 0.44 -1.69 0.35 0.00 -0.02 0.00 0.00 33.50 32.58 3bdv n PRO 42 CO 0.00 0.00 0.00 1.12 1.98 0.00 0.00 175.50 178.60 3bdv h HIS 43 N 0.00 0.00 -4.08 6.00 2.07 -1.94 -3.46 115.15 113.74 3bdv h HIS 43 Ca 0.00 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 56.99 3bdv h HIS 43 Cb 0.19 0.00 0.11 0.00 2.57 0.00 0.00 27.41 30.29 3bdv h HIS 43 CO 0.00 0.00 0.49 -1.58 -3.07 0.00 0.00 177.93 173.77 3bdv s TRP 44 N -3.12 2.42 0.33 6.12 0.52 0.04 -5.02 118.94 120.23 3bdv s TRP 44 Ca 0.10 1.50 0.07 0.00 0.02 0.00 0.00 56.10 57.78 3bdv s TRP 44 Cb 0.12 -3.52 -0.01 0.00 -1.15 0.00 0.00 33.47 28.92 3bdv s TRP 44 CO 0.63 -2.24 0.46 -0.65 0.02 0.00 0.00 176.95 175.17 3bdv s GLN 45 N -3.21 3.13 -0.19 4.98 -0.21 -1.26 -4.99 119.66 117.91 3bdv s GLN 45 Ca 0.75 -1.00 -0.16 0.00 0.02 0.00 0.00 55.36 54.97 3bdv s GLN 45 Cb -0.32 -2.82 0.05 0.00 1.00 0.00 0.00 33.01 30.93 3bdv s GLN 45 CO 0.35 0.08 0.50 0.50 -2.12 0.00 0.00 175.29 174.61 3bdv s ARG 46 N -4.16 0.57 0.51 2.91 3.52 -1.26 -0.58 118.95 120.44 3bdv s ARG 46 Ca 0.44 0.75 -0.18 0.00 -0.13 0.00 0.00 55.73 56.61 3bdv s ARG 46 Cb -0.09 0.23 -0.08 0.00 -1.56 0.00 0.00 34.95 33.45 3bdv s ARG 46 CO 0.31 -0.09 1.01 0.96 -0.81 0.00 0.00 175.30 176.68 3bdv s ILE 47 N 0.55 4.11 0.10 4.11 -4.36 -0.77 -4.93 121.20 120.00 3bdv s ILE 47 Ca -0.02 1.16 0.06 0.00 -0.26 0.00 0.00 60.65 61.60 3bdv s ILE 47 Cb -0.04 -3.53 -0.03 0.00 1.25 0.00 0.00 42.46 40.10 3bdv s ILE 47 CO -0.03 -0.43 -0.17 -0.13 0.24 0.00 0.00 174.94 174.43 3bdv s ARG 48 N -3.62 0.98 0.26 0.37 1.81 -1.26 -4.90 118.95 112.58 3bdv s ARG 48 Ca 0.63 -1.10 -0.18 0.00 -1.72 0.00 0.00 55.73 53.36 3bdv s ARG 48 Cb -0.13 -1.05 0.01 0.00 -0.45 0.00 0.00 34.95 33.33 3bdv s ARG 48 CO 0.25 0.23 0.61 1.14 -0.68 0.00 0.00 175.30 176.86 3bdv s GLN 49 N -2.03 1.66 0.13 3.54 -2.07 -1.26 -4.86 119.66 114.77 3bdv s GLN 49 Ca 0.04 -1.06 -0.08 0.00 -1.82 0.00 0.00 55.36 52.44 3bdv s GLN 49 Cb -0.09 0.55 -0.08 0.00 -1.09 0.00 0.00 33.01 32.31 3bdv s GLN 49 CO 0.03 -0.73 1.34 0.00 -1.32 0.00 0.00 175.29 174.61 3bdv h ARG 50 N 2.11 0.59 -4.65 9.60 3.08 -2.02 -3.43 114.38 119.67 3bdv h ARG 50 Ca -0.23 -0.52 -0.59 0.00 0.07 0.00 0.00 59.98 58.71 3bdv h ARG 50 Cb 1.25 0.12 -0.36 0.00 0.08 0.00 0.00 29.97 31.06 3bdv h ARG 50 CO 0.29 1.14 -0.83 -1.21 -1.07 0.00 0.00 179.97 178.29 3bdv s GLU 51 N -3.59 2.21 0.00 0.04 2.02 -1.26 -5.00 118.70 113.12 3bdv s GLU 51 Ca -0.08 -0.53 0.12 0.00 0.02 0.00 0.00 54.97 54.50 3bdv s GLU 51 Cb 0.09 -2.00 -0.06 0.00 0.10 0.00 0.00 34.13 32.26 3bdv s GLU 51 CO 0.88 -0.19 0.59 0.91 0.02 0.00 0.00 175.26 177.47 3bdv n TRP 52 N 4.64 0.00 1.12 1.61 7.02 -1.26 -4.71 117.44 125.85 3bdv n TRP 52 Ca -0.17 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.43 3bdv n TRP 52 Cb 0.50 0.00 0.24 0.00 -2.42 0.00 0.00 31.31 29.64 3bdv n TRP 52 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 3bdv n TYR 53 N -0.75 0.00 -4.49 -5.99 4.02 -1.26 -0.53 117.16 108.16 3bdv n TYR 53 Ca 0.04 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.59 3bdv n TYR 53 Cb 0.21 -0.13 -0.15 0.00 -0.02 0.00 0.00 39.34 39.25 3bdv n TYR 53 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 3bdv s GLN 54 N -2.68 3.17 -0.22 -0.72 1.11 -1.26 -4.87 119.66 114.19 3bdv s GLN 54 Ca 0.18 -0.77 -0.29 0.00 0.01 0.00 0.00 55.36 54.50 3bdv s GLN 54 Cb 0.18 -2.60 -0.03 0.00 -1.01 0.00 0.00 33.01 29.55 3bdv s GLN 54 CO 0.61 -0.02 1.76 0.00 0.01 0.00 0.00 175.29 177.65 3bdv s ALA 55 N 0.88 3.16 -0.10 6.09 0.00 -1.26 -4.95 121.76 125.58 3bdv s ALA 55 Ca -0.04 0.55 -0.03 0.00 0.00 0.00 0.00 51.96 52.43 3bdv s ALA 55 Cb -0.15 -3.91 0.04 0.00 0.00 0.00 0.00 23.12 19.10 3bdv s ALA 55 CO -0.02 -2.15 0.07 0.34 0.00 0.00 0.00 175.76 174.00 3bdv s ASP 56 N 5.10 1.70 0.14 0.00 -1.08 -1.26 -5.03 116.67 116.24 3bdv s ASP 56 Ca 0.78 -0.24 -0.14 0.00 -0.52 0.00 0.00 52.55 52.44 3bdv s ASP 56 Cb -0.27 -0.21 0.01 0.00 -1.46 0.00 0.00 42.92 41.00 3bdv s ASP 56 CO 0.32 -0.29 1.63 0.25 0.52 0.00 0.00 175.17 177.60 3bdv h LEU 57 N 8.42 0.74 -1.08 -1.34 5.85 -1.96 -2.69 115.31 123.25 3bdv h LEU 57 Ca -0.14 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.28 3bdv h LEU 57 Cb 1.13 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 3bdv h LEU 57 CO 0.22 0.81 0.18 0.44 -0.34 0.00 0.00 178.44 179.75 3bdv h ASP 58 N 0.64 0.77 -0.44 1.25 3.32 -1.98 0.32 116.42 120.30 3bdv h ASP 58 Ca 0.14 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 3bdv h ASP 58 Cb 0.38 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 3bdv h ASP 58 CO 0.01 0.72 0.04 0.03 -1.72 0.00 0.00 179.24 178.32 3bdv h ARG 59 N 0.81 0.75 -0.63 3.56 3.08 -1.93 0.89 114.38 120.91 3bdv h ARG 59 Ca 0.19 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3bdv h ARG 59 Cb 0.23 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 3bdv h ARG 59 CO -0.01 0.80 0.41 -1.49 -1.07 0.00 0.00 179.97 178.60 3bdv h TRP 60 N 0.60 0.81 -0.46 3.04 6.55 -1.12 -0.82 115.95 124.55 3bdv h TRP 60 Ca 0.13 0.01 -0.03 0.00 0.95 0.00 0.00 58.89 59.96 3bdv h TRP 60 Cb 0.43 -0.27 -0.02 0.00 -0.86 0.00 0.00 29.16 28.44 3bdv h TRP 60 CO 0.03 0.52 0.18 0.28 -1.05 0.00 0.00 178.44 178.41 3bdv h VAL 61 N 0.86 1.21 -0.78 1.49 2.07 -0.61 -0.81 116.25 119.67 3bdv h VAL 61 Ca 0.23 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 3bdv h VAL 61 Cb -0.08 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 3bdv h VAL 61 CO -0.05 0.24 0.47 0.25 0.02 0.00 0.00 177.57 178.50 3bdv h LEU 62 N 0.61 0.93 -0.77 2.57 5.85 -0.69 -0.21 115.31 123.59 3bdv h LEU 62 Ca 0.15 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 3bdv h LEU 62 Cb 0.19 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 3bdv h LEU 62 CO -0.01 0.72 0.30 0.00 -0.34 0.00 0.00 178.44 179.11 3bdv h ALA 63 N 1.25 1.00 -0.08 1.25 0.00 -0.58 -0.39 119.26 121.71 3bdv h ALA 63 Ca 0.28 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3bdv h ALA 63 Cb -0.04 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 3bdv h ALA 63 CO -0.05 0.64 -0.03 0.82 0.00 0.00 0.00 179.25 180.62 3bdv h ILE 64 N 1.12 1.31 -0.43 0.00 2.04 -0.91 -2.18 117.51 118.46 3bdv h ILE 64 Ca 0.26 -1.01 0.09 0.00 1.00 0.00 0.00 64.86 65.20 3bdv h ILE 64 Cb 0.23 1.81 -0.08 0.00 -0.74 0.00 0.00 36.82 38.03 3bdv h ILE 64 CO -0.02 0.28 -0.12 0.03 0.00 0.00 0.00 178.15 178.32 3bdv h ARG 65 N -0.18 -0.02 -0.47 2.37 3.08 -0.92 0.15 114.38 118.39 3bdv h ARG 65 Ca 0.02 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.16 3bdv h ARG 65 Cb 0.46 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.43 3bdv h ARG 65 CO 0.01 -0.01 -0.04 0.00 -1.07 0.00 0.00 179.97 178.86 3bdv h ARG 66 N -0.02 0.07 -0.85 0.04 3.08 -0.99 -0.95 114.38 114.76 3bdv h ARG 66 Ca 0.21 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.26 3bdv h ARG 66 Cb 0.33 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 3bdv h ARG 66 CO -0.45 0.05 0.56 1.49 -1.07 0.00 0.00 179.97 180.55 3bdv h GLU 67 N 0.07 1.12 -0.05 0.04 4.57 -0.67 -2.72 114.58 116.93 3bdv h GLU 67 Ca 0.24 -0.07 -0.13 0.00 -1.18 0.00 0.00 59.36 58.21 3bdv h GLU 67 Cb 0.36 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 3bdv h GLU 67 CO -0.43 0.74 -0.58 -0.07 -1.18 0.00 0.00 179.01 177.49 3bdv h LEU 68 N 1.15 0.17 -1.77 1.64 3.38 0.00 -3.19 115.31 116.69 3bdv h LEU 68 Ca 0.31 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.25 3bdv h LEU 68 Cb -0.13 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3bdv h LEU 68 CO -0.07 0.72 0.27 0.77 0.09 0.00 0.00 178.44 180.22 3bdv h SER 69 N 0.12 0.24 -0.11 -0.43 4.64 -0.88 -1.56 113.55 115.58 3bdv h SER 69 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3bdv h SER 69 Cb 1.06 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 3bdv h SER 69 CO 0.08 0.16 0.00 1.33 -0.87 0.00 0.00 176.83 177.53 3bdv n VAL 70 N -4.47 0.12 -2.45 0.95 0.24 -1.21 -4.96 118.33 106.55 3bdv n VAL 70 Ca 0.05 -0.56 -0.41 0.00 -2.04 0.00 0.00 64.34 61.39 3bdv n VAL 70 Cb 0.27 1.35 -0.04 0.00 -1.47 0.00 0.00 33.84 33.95 3bdv n VAL 70 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3bdv n THR 72 N 1.85 0.04 -4.48 0.00 -2.24 -1.26 -4.96 114.28 103.23 3bdv n THR 72 Ca 0.01 -0.33 -0.26 0.00 -2.27 0.00 0.00 64.05 61.20 3bdv n THR 72 Cb 0.45 0.29 -0.10 0.00 -2.10 0.00 0.00 70.33 68.87 3bdv n THR 72 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3bdv s GLN 73 N -3.33 1.96 0.54 -0.78 -0.21 -1.26 -5.11 119.66 111.47 3bdv s GLN 73 Ca -0.02 -1.94 -0.22 0.00 0.02 0.00 0.00 55.36 53.20 3bdv s GLN 73 Cb 0.14 -1.76 -0.05 0.00 1.00 0.00 0.00 33.01 32.34 3bdv s GLN 73 CO 0.88 0.05 1.33 -2.14 -2.12 0.00 0.00 175.29 173.29 3bdv s PRO 74 N -3.70 3.19 0.04 2.91 0.02 -1.26 -4.70 135.00 131.50 3bdv s PRO 74 Ca 0.35 2.16 0.04 0.00 0.02 0.00 0.00 61.00 63.57 3bdv s PRO 74 Cb 0.04 -2.25 -0.04 0.00 0.02 0.00 0.00 34.50 32.28 3bdv s PRO 74 CO 0.18 -1.13 -0.07 0.08 -0.33 0.00 0.00 177.00 175.74 3bdv s VAL 75 N -1.35 3.61 -0.26 3.83 1.01 -0.70 -1.11 120.40 125.43 3bdv s VAL 75 Ca 0.71 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 61.71 3bdv s VAL 75 Cb -0.38 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 3bdv s VAL 75 CO 0.45 0.30 0.06 -0.63 0.00 0.00 0.00 175.10 175.28 3bdv s ILE 76 N -1.08 4.06 -0.07 2.22 1.01 0.06 -0.29 121.20 127.11 3bdv s ILE 76 Ca 0.19 -0.39 -0.29 0.00 0.00 0.00 0.00 60.65 60.17 3bdv s ILE 76 Cb -0.11 -2.95 -0.02 0.00 0.01 0.00 0.00 42.46 39.38 3bdv s ILE 76 CO 0.10 0.27 0.95 -0.76 0.00 0.00 0.00 174.94 175.50 3bdv s LEU 77 N 1.56 4.29 -0.35 2.97 1.43 -0.87 -0.96 118.68 126.76 3bdv s LEU 77 Ca 0.05 1.51 0.03 0.00 -1.03 0.00 0.00 54.13 54.69 3bdv s LEU 77 Cb -0.16 -3.48 0.10 0.00 0.03 0.00 0.00 46.19 42.68 3bdv s LEU 77 CO 0.02 -0.34 0.07 -0.63 0.23 0.00 0.00 176.35 175.70 3bdv s ILE 78 N 1.52 2.44 0.09 -0.59 1.01 0.66 -4.43 121.20 121.92 3bdv s ILE 78 Ca 0.48 -2.26 0.03 0.00 0.00 0.00 0.00 60.65 58.89 3bdv s ILE 78 Cb -0.19 -2.76 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 3bdv s ILE 78 CO 0.21 -0.59 0.11 -0.83 0.00 0.00 0.00 174.94 173.85 3bdv s GLY 79 N 1.06 1.98 -0.10 6.18 0.00 -1.26 -0.22 107.32 114.96 3bdv s GLY 79 Ca 0.10 -1.03 0.03 0.00 0.00 0.00 0.00 44.72 43.81 3bdv s GLY 79 CO -0.07 -1.01 -0.18 -1.58 0.00 0.00 0.00 173.10 170.25 3bdv s HIS 80 N -1.48 2.12 0.00 1.90 2.46 -0.71 -0.98 115.29 118.60 3bdv s HIS 80 Ca 0.30 -0.92 0.00 0.00 0.47 0.00 0.00 55.06 54.91 3bdv s HIS 80 Cb -0.12 -1.48 0.00 0.00 -0.13 0.00 0.00 32.58 30.85 3bdv s HIS 80 CO 0.23 -0.43 0.00 0.45 -2.47 0.00 0.00 174.74 172.52 3bdv n SER 81 N 3.87 0.00 -0.25 9.88 2.88 -0.83 -0.72 113.62 128.45 3bdv n SER 81 Ca -0.20 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.39 3bdv n SER 81 Cb 0.52 0.00 0.30 0.00 -0.75 0.00 0.00 64.21 64.28 3bdv n SER 81 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 3bdv h PHE 82 N 0.00 0.91 -0.81 0.66 3.57 -1.90 -0.70 116.94 118.66 3bdv h PHE 82 Ca 0.00 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.60 3bdv h PHE 82 Cb 0.00 -0.30 -0.05 0.00 2.79 0.00 0.00 35.95 38.39 3bdv h PHE 82 CO 0.00 0.47 0.53 0.78 -2.23 0.00 0.00 178.31 177.86 3bdv h GLY 83 N 0.89 1.12 1.16 2.40 0.00 -1.01 -0.27 103.07 107.36 3bdv h GLY 83 Ca 0.36 -0.34 -0.18 0.00 0.00 0.00 0.00 47.33 47.16 3bdv h GLY 83 CO -0.13 0.24 -0.50 0.00 0.00 0.00 0.00 176.54 176.15 3bdv h ALA 84 N 1.57 0.50 -0.59 3.60 0.00 -1.09 -1.27 119.26 121.98 3bdv h ALA 84 Ca 0.35 -0.50 0.05 0.00 0.00 0.00 0.00 54.91 54.82 3bdv h ALA 84 Cb 0.28 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 3bdv h ALA 84 CO -0.13 0.68 0.32 -0.07 0.00 0.00 0.00 179.25 180.05 3bdv h LEU 85 N 0.70 0.46 -0.97 0.00 3.38 -0.88 -0.64 115.31 117.35 3bdv h LEU 85 Ca 0.03 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3bdv h LEU 85 Cb 1.11 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 3bdv h LEU 85 CO 0.11 0.30 0.55 0.00 0.09 0.00 0.00 178.44 179.50 3bdv h ALA 86 N 1.32 1.23 -0.45 1.53 0.00 -0.75 0.25 119.26 122.39 3bdv h ALA 86 Ca 0.27 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3bdv h ALA 86 Cb 0.17 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3bdv h ALA 86 CO -0.17 0.66 0.28 0.00 0.00 0.00 0.00 179.25 180.01 3bdv h ALA 87 N 1.33 0.57 -0.19 0.00 0.00 -0.88 -0.61 119.26 119.47 3bdv h ALA 87 Ca 0.33 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.21 3bdv h ALA 87 Cb -0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3bdv h ALA 87 CO -0.06 0.04 0.07 0.00 0.00 0.00 0.00 179.25 179.30 3bdv h HIS 89 N 0.16 0.96 -0.62 0.00 6.17 -0.49 -1.00 115.15 120.32 3bdv h HIS 89 Ca 0.08 -0.11 -0.02 0.00 0.71 0.00 0.00 60.37 61.03 3bdv h HIS 89 Cb 0.05 -0.27 -0.03 0.00 2.52 0.00 0.00 27.41 29.68 3bdv h HIS 89 CO -0.11 0.82 0.32 0.28 0.71 0.00 0.00 177.93 179.95 3bdv h VAL 90 N 0.82 1.21 -0.53 5.26 2.07 -0.97 -0.11 116.25 123.99 3bdv h VAL 90 Ca 0.18 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 3bdv h VAL 90 Cb 0.34 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3bdv h VAL 90 CO 0.00 0.23 0.25 0.58 0.02 0.00 0.00 177.57 178.65 3bdv h VAL 91 N 0.85 1.20 0.00 2.57 2.07 -1.23 -2.82 116.25 118.89 3bdv h VAL 91 Ca 0.22 -0.59 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 3bdv h VAL 91 Cb 0.07 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3bdv h VAL 91 CO -0.03 0.23 -0.21 1.56 0.02 0.00 0.00 177.57 179.14 3bdv h GLN 92 N 0.72 0.00 -0.01 1.57 4.20 -0.55 -1.20 115.11 119.84 3bdv h GLN 92 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 3bdv h GLN 92 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 3bdv h GLN 92 CO -0.02 0.21 -0.02 1.04 -0.67 0.00 0.00 178.83 179.37 3bdv n GLN 93 N -4.03 1.36 -0.08 1.46 1.13 -0.11 -4.93 117.38 112.18 3bdv n GLN 93 Ca -0.02 -0.61 0.00 0.00 -1.94 0.00 0.00 57.00 54.43 3bdv n GLN 93 Cb 0.29 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.15 3bdv n GLN 93 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3bdv n GLY 94 N 1.14 0.95 3.64 1.08 0.00 -0.45 -5.06 105.19 106.50 3bdv n GLY 94 Ca 0.20 -0.03 -0.51 0.00 0.00 0.00 0.00 46.02 45.67 3bdv n GLY 94 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3bdv n GLN 95 N -2.08 1.47 -2.38 1.61 -0.06 -1.12 -5.00 117.38 109.82 3bdv n GLN 95 Ca 0.00 0.53 -0.27 0.00 -2.00 0.00 0.00 57.00 55.26 3bdv n GLN 95 Cb 0.00 -2.23 0.03 0.00 -4.06 0.00 0.00 30.24 23.98 3bdv n GLN 95 CO 0.00 0.00 0.00 -1.83 -0.20 0.00 0.00 177.06 175.03 3bdv s GLU 96 N 1.52 3.03 0.00 3.69 -1.05 -1.26 -4.50 118.70 120.13 3bdv s GLU 96 Ca 0.87 0.08 0.00 0.00 -0.15 0.00 0.00 54.97 55.77 3bdv s GLU 96 Cb -0.89 -2.27 0.00 0.00 -0.44 0.00 0.00 34.13 30.53 3bdv s GLU 96 CO 0.49 -0.64 0.00 0.41 0.95 0.00 0.00 175.26 176.47 3bdv n GLY 97 N -2.57 0.58 3.38 -3.83 0.00 -1.26 -5.05 105.19 96.43 3bdv n GLY 97 Ca 0.04 -0.67 -0.36 0.00 0.00 0.00 0.00 46.02 45.03 3bdv n GLY 97 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bdv s ILE 98 N -2.00 3.92 0.06 -0.61 1.01 -1.26 -1.71 121.20 120.60 3bdv s ILE 98 Ca 0.00 -0.40 -0.05 0.00 0.00 0.00 0.00 60.65 60.21 3bdv s ILE 98 Cb 0.00 -2.86 -0.29 0.00 0.01 0.00 0.00 42.46 39.32 3bdv s ILE 98 CO 0.00 0.31 1.08 0.00 0.00 0.00 0.00 174.94 176.33 3bdv h ALA 99 N 8.19 0.12 -1.78 9.38 0.00 -0.96 -3.47 119.26 130.74 3bdv h ALA 99 Ca -0.38 -0.93 0.24 0.00 0.00 0.00 0.00 54.91 53.84 3bdv h ALA 99 Cb 1.16 0.07 -0.14 0.00 0.00 0.00 0.00 17.79 18.88 3bdv h ALA 99 CO 0.59 0.99 0.70 0.20 0.00 0.00 0.00 179.25 181.73 3bdv s GLY 100 N -4.71 -0.35 0.00 0.00 0.00 -1.21 -4.15 107.32 96.91 3bdv s GLY 100 Ca -0.05 0.88 0.00 0.00 0.00 0.00 0.00 44.72 45.55 3bdv s GLY 100 CO 0.88 0.25 0.00 -0.62 0.00 0.00 0.00 173.10 173.61 3bdv n VAL 101 N -0.33 0.00 0.00 1.40 0.31 -0.38 -2.05 118.33 117.27 3bdv n VAL 101 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 3bdv n VAL 101 Cb 0.61 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.54 3bdv n VAL 101 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3bdv n LEU 103 N 0.00 0.00 -4.37 7.52 4.77 0.99 -1.57 117.00 124.34 3bdv n LEU 103 Ca 0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.61 3bdv n LEU 103 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 3bdv n LEU 103 CO 0.00 0.00 -0.29 -0.69 -1.33 0.00 0.00 177.39 175.08 3bdv s VAL 104 N 0.00 4.02 -1.24 4.08 1.01 -0.16 -0.64 120.40 127.48 3bdv s VAL 104 Ca 0.00 -0.52 -0.08 0.00 0.00 0.00 0.00 61.98 61.38 3bdv s VAL 104 Cb 0.00 -2.99 -0.01 0.00 0.00 0.00 0.00 36.38 33.38 3bdv s VAL 104 CO 0.00 0.19 0.71 0.00 0.00 0.00 0.00 175.10 176.00 3bdv n ALA 105 N 4.88 -2.25 -1.76 5.51 0.00 0.09 -1.97 120.51 125.01 3bdv n ALA 105 Ca -0.15 -0.18 -0.41 0.00 0.00 0.00 0.00 53.44 52.70 3bdv n ALA 105 Cb 0.49 -3.04 0.00 0.00 0.00 0.00 0.00 19.45 16.91 3bdv n ALA 105 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3bdv n PRO 106 N -4.15 2.49 -2.83 0.00 -0.04 -1.26 -2.03 135.00 127.18 3bdv n PRO 106 Ca -0.21 0.87 -0.32 0.00 -0.04 0.00 0.00 63.50 63.80 3bdv n PRO 106 Cb 0.64 -2.60 -0.06 0.00 -0.04 0.00 0.00 33.50 31.45 3bdv n PRO 106 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3bdv s ALA 107 N -1.13 3.15 0.10 0.55 0.00 -1.23 -4.87 121.76 118.33 3bdv s ALA 107 Ca 0.55 0.21 -0.31 0.00 0.00 0.00 0.00 51.96 52.41 3bdv s ALA 107 Cb -0.49 -3.00 -0.10 0.00 0.00 0.00 0.00 23.12 19.53 3bdv s ALA 107 CO 0.62 0.10 1.89 -2.00 0.00 0.00 0.00 175.76 176.38 3bdv s GLU 108 N -3.36 4.13 0.00 0.00 2.56 -0.56 -4.90 118.70 116.57 3bdv s GLU 108 Ca 0.58 2.62 0.00 0.00 0.00 0.00 0.00 54.97 58.17 3bdv s GLU 108 Cb -0.10 -3.80 0.00 0.00 2.00 0.00 0.00 34.13 32.23 3bdv s GLU 108 CO 0.19 -0.89 0.05 -2.30 -0.56 0.00 0.00 175.26 171.75 3bdv n PRO 109 N 6.36 0.00 0.00 4.30 -0.02 -1.26 -4.10 135.00 140.28 3bdv n PRO 109 Ca 0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 3bdv n PRO 109 Cb 0.39 -1.09 0.00 0.00 -0.02 0.00 0.00 33.50 32.78 3bdv n PRO 109 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3bdv n ARG 111 N 1.72 0.00 -0.24 -0.52 5.12 -1.26 -1.76 116.66 119.72 3bdv n ARG 111 Ca 0.00 0.00 0.09 0.00 -1.93 0.00 0.00 57.85 56.01 3bdv n ARG 111 Cb 0.00 0.00 0.17 0.00 -1.16 0.00 0.00 32.46 31.47 3bdv n ARG 111 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 3bdv n PHE 112 N 0.00 0.18 -4.05 -1.55 3.72 -1.26 -4.99 117.46 109.52 3bdv n PHE 112 Ca 0.00 -1.09 -0.33 0.00 -0.05 0.00 0.00 57.45 55.98 3bdv n PHE 112 Cb 0.00 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.34 3bdv n PHE 112 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3bdv n GLU 113 N -1.25 -4.47 -0.60 -1.08 1.02 -0.95 -4.86 120.64 108.45 3bdv n GLU 113 Ca 0.18 0.50 0.06 0.00 -0.02 0.00 0.00 57.16 57.88 3bdv n GLU 113 Cb 0.70 -5.30 0.14 0.00 -0.02 0.00 0.00 31.44 26.96 3bdv n GLU 113 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3bdv n ILE 114 N -4.55 1.57 0.31 -3.67 -5.35 -0.72 -4.73 119.36 102.22 3bdv n ILE 114 Ca 0.04 -2.34 0.20 0.00 -0.27 0.00 0.00 62.75 60.39 3bdv n ILE 114 Cb 0.52 0.03 1.07 0.00 -1.74 0.00 0.00 39.64 39.51 3bdv n ILE 114 CO 0.00 0.00 0.00 -2.24 -1.76 0.00 0.00 176.55 172.55 3bdv h ASP 115 N 0.65 0.00 -0.01 7.28 2.03 -1.89 -0.93 116.42 123.55 3bdv h ASP 115 Ca -0.04 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.26 3bdv h ASP 115 Cb 1.18 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.68 3bdv h ASP 115 CO 0.02 0.00 -0.00 -0.90 -1.03 0.00 0.00 179.24 177.32 3bdv n ASP 116 N -2.93 1.64 0.00 4.15 5.75 -1.26 -4.29 116.55 119.60 3bdv n ASP 116 Ca -0.02 -1.54 0.00 0.00 -0.01 0.00 0.00 54.79 53.22 3bdv n ASP 116 Cb 0.09 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 3bdv n ASP 116 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3bdv n ARG 117 N 0.28 5.62 -3.86 0.11 1.74 -0.39 -4.97 116.66 115.19 3bdv n ARG 117 Ca 0.18 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.91 3bdv n ARG 117 Cb 0.38 -0.50 -0.13 0.00 -1.02 0.00 0.00 32.46 31.19 3bdv n ARG 117 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3bdv s ILE 118 N -1.00 4.10 0.14 0.55 -1.09 -0.99 -4.91 121.20 118.01 3bdv s ILE 118 Ca 0.00 -0.25 -0.14 0.00 -2.23 0.00 0.00 60.65 58.03 3bdv s ILE 118 Cb 0.00 -2.89 -0.07 0.00 -1.58 0.00 0.00 42.46 37.92 3bdv s ILE 118 CO 0.00 0.38 0.54 -1.10 -1.23 0.00 0.00 174.94 173.53 3bdv s GLN 119 N 1.42 3.97 -1.25 2.79 -0.21 -1.26 -4.91 119.66 120.21 3bdv s GLN 119 Ca 0.05 0.48 -0.09 0.00 0.02 0.00 0.00 55.36 55.82 3bdv s GLN 119 Cb -0.15 -2.94 0.19 0.00 1.00 0.00 0.00 33.01 31.11 3bdv s GLN 119 CO 0.02 0.49 1.78 0.00 -2.12 0.00 0.00 175.29 175.46 3bdv n ALA 120 N 0.83 5.22 -3.05 6.09 0.00 -1.26 -4.91 120.51 123.44 3bdv n ALA 120 Ca -0.06 -4.38 -0.12 0.00 0.00 0.00 0.00 53.44 48.89 3bdv n ALA 120 Cb 0.52 -2.90 -0.06 0.00 0.00 0.00 0.00 19.45 17.01 3bdv n ALA 120 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3bdv s SER 121 N 0.66 -0.23 0.35 0.00 1.04 -1.24 -4.88 113.70 109.41 3bdv s SER 121 Ca 0.39 -0.17 -0.28 0.00 0.48 0.00 0.00 55.95 56.36 3bdv s SER 121 Cb 0.08 0.43 -0.12 0.00 0.10 0.00 0.00 66.02 66.51 3bdv s SER 121 CO 0.02 -0.73 1.41 -2.65 0.98 0.00 0.00 173.24 172.26 3bdv n PRO 122 N 0.23 2.40 -2.75 4.02 -0.02 -0.77 -4.12 135.00 133.98 3bdv n PRO 122 Ca -0.17 0.84 -0.39 0.00 -2.02 0.00 0.00 63.50 61.76 3bdv n PRO 122 Cb 0.61 -2.51 -0.06 0.00 -0.02 0.00 0.00 33.50 31.52 3bdv n PRO 122 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3bdv s LEU 123 N -1.32 4.50 0.00 2.45 1.43 -0.65 -4.93 118.68 120.17 3bdv s LEU 123 Ca 0.56 1.91 0.23 0.00 -1.03 0.00 0.00 54.13 55.80 3bdv s LEU 123 Cb -0.53 -3.79 1.28 0.00 0.03 0.00 0.00 46.19 43.18 3bdv s LEU 123 CO 0.61 0.04 1.75 -1.54 0.23 0.00 0.00 176.35 177.45 3bdv n SER 124 N 1.05 0.00 -4.29 2.29 3.41 -1.26 -4.77 113.62 110.06 3bdv n SER 124 Ca -0.00 -0.41 -0.17 0.00 -0.26 0.00 0.00 58.87 58.03 3bdv n SER 124 Cb 0.48 -0.13 -0.10 0.00 -0.26 0.00 0.00 64.21 64.20 3bdv n SER 124 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3bdv s VAL 125 N -2.27 1.42 0.22 -3.33 -7.23 -1.26 -5.11 120.40 102.84 3bdv s VAL 125 Ca 0.29 -2.05 -0.32 0.00 -1.81 0.00 0.00 61.98 58.08 3bdv s VAL 125 Cb 0.16 -1.86 -0.13 0.00 0.56 0.00 0.00 36.38 35.10 3bdv s VAL 125 CO 0.31 -0.62 1.46 -2.65 -0.31 0.00 0.00 175.10 173.28 3bdv n PRO 126 N -0.13 2.08 -4.29 4.82 -0.02 -1.26 -4.81 135.00 131.39 3bdv n PRO 126 Ca -0.10 0.74 -0.18 0.00 -2.02 0.00 0.00 63.50 61.94 3bdv n PRO 126 Cb 0.60 -2.44 -0.15 0.00 -0.02 0.00 0.00 33.50 31.49 3bdv n PRO 126 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3bdv s THR 127 N 0.23 0.62 -0.08 3.45 2.01 -1.26 -1.25 115.64 119.35 3bdv s THR 127 Ca 0.71 -0.31 0.04 0.00 0.31 0.00 0.00 61.69 62.45 3bdv s THR 127 Cb -0.66 -0.54 0.00 0.00 0.01 0.00 0.00 72.50 71.32 3bdv s THR 127 CO 0.46 0.19 -0.21 -0.22 -0.69 0.00 0.00 174.62 174.15 3bdv s LEU 128 N -0.01 1.96 -0.08 4.42 2.96 -0.61 -1.80 118.68 125.52 3bdv s LEU 128 Ca 0.00 -0.46 0.04 0.00 -0.22 0.00 0.00 54.13 53.49 3bdv s LEU 128 Cb -0.05 -1.21 0.00 0.00 0.50 0.00 0.00 46.19 45.43 3bdv s LEU 128 CO -0.00 0.14 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.08 3bdv s THR 129 N 0.29 1.75 -0.16 3.68 2.01 0.19 -0.01 115.64 123.40 3bdv s THR 129 Ca -0.13 -0.85 -0.02 0.00 0.31 0.00 0.00 61.69 60.99 3bdv s THR 129 Cb -0.16 -1.53 -0.02 0.00 0.01 0.00 0.00 72.50 70.81 3bdv s THR 129 CO 0.06 0.49 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.04 3bdv s PHE 130 N 0.34 2.92 -0.03 4.92 0.40 0.19 -0.03 117.98 126.68 3bdv s PHE 130 Ca -0.15 -0.57 0.04 0.00 -0.60 0.00 0.00 56.93 55.65 3bdv s PHE 130 Cb -0.16 -1.93 -0.00 0.00 0.51 0.00 0.00 43.02 41.43 3bdv s PHE 130 CO 0.06 -0.21 -0.13 0.00 0.70 0.00 0.00 175.22 175.65 3bdv s ALA 131 N 0.56 1.16 0.15 5.36 0.00 -0.13 -0.73 121.76 128.12 3bdv s ALA 131 Ca -0.05 -0.52 0.03 0.00 0.00 0.00 0.00 51.96 51.41 3bdv s ALA 131 Cb -0.15 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 3bdv s ALA 131 CO 0.03 0.22 0.27 0.45 0.00 0.00 0.00 175.76 176.73 3bdv s SER 132 N 0.01 6.27 0.01 0.00 0.15 -1.26 -1.87 113.70 117.01 3bdv s SER 132 Ca -0.01 0.15 0.26 0.00 0.70 0.00 0.00 55.95 57.05 3bdv s SER 132 Cb -0.09 -1.87 0.76 0.00 -1.71 0.00 0.00 66.02 63.11 3bdv s SER 132 CO 0.01 0.06 1.60 1.41 1.20 0.00 0.00 173.24 177.51 3bdv n HIS 133 N -0.50 0.06 -2.59 3.44 8.25 0.48 -4.00 115.22 120.37 3bdv n HIS 133 Ca -0.07 0.02 -0.14 0.00 -0.26 0.00 0.00 57.72 57.26 3bdv n HIS 133 Cb 0.54 -0.38 0.02 0.00 1.12 0.00 0.00 29.99 31.29 3bdv n HIS 133 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3bdv n ASN 134 N -1.56 2.65 -4.60 0.41 6.94 -1.26 -4.71 115.26 113.13 3bdv n ASN 134 Ca 0.06 -3.01 -0.40 0.00 -0.02 0.00 0.00 54.58 51.21 3bdv n ASN 134 Cb 0.35 -0.49 -0.08 0.00 -2.36 0.00 0.00 39.78 37.19 3bdv n ASN 134 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3bdv s ASP 135 N -3.34 6.35 0.62 0.53 -1.08 -1.20 -4.10 116.67 114.45 3bdv s ASP 135 Ca 0.35 0.31 0.34 0.00 -0.52 0.00 0.00 52.55 53.03 3bdv s ASP 135 Cb 0.43 -2.26 1.96 0.00 -1.46 0.00 0.00 42.92 41.59 3bdv s ASP 135 CO -0.04 -0.31 2.25 -0.65 0.52 0.00 0.00 175.17 176.94 3bdv h PRO 136 N 8.18 0.00 -0.96 4.34 0.11 -1.97 -3.39 132.00 138.30 3bdv h PRO 136 Ca -0.29 0.00 -0.43 0.00 0.11 0.00 0.00 66.00 65.38 3bdv h PRO 136 Cb 1.14 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 31.99 3bdv h PRO 136 CO 0.71 0.00 0.55 1.28 -0.21 0.00 0.00 178.00 180.33 3bdv n LEU 137 N -3.59 6.37 -4.43 2.35 4.77 -1.26 -5.07 117.00 116.13 3bdv n LEU 137 Ca -0.02 -3.38 -0.27 0.00 -0.03 0.00 0.00 56.01 52.30 3bdv n LEU 137 Cb 0.13 -0.80 -0.12 0.00 -2.33 0.00 0.00 43.42 40.30 3bdv n LEU 137 CO 0.25 0.97 -0.53 -0.94 -1.33 0.00 0.00 177.39 175.81 3bdv s SER 139 N -1.09 3.49 0.24 -1.43 1.04 -1.26 -1.50 113.70 113.19 3bdv s SER 139 Ca 0.53 -0.83 -0.06 0.00 0.48 0.00 0.00 55.95 56.07 3bdv s SER 139 Cb 0.44 -0.29 0.25 0.00 0.10 0.00 0.00 66.02 66.52 3bdv s SER 139 CO 0.11 0.13 1.87 0.15 0.98 0.00 0.00 173.24 176.48 3bdv h PHE 140 N 3.26 1.21 -0.66 5.02 3.57 -1.85 -0.38 116.94 127.12 3bdv h PHE 140 Ca -0.47 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 60.96 3bdv h PHE 140 Cb 1.20 -0.39 -0.03 0.00 2.79 0.00 0.00 35.95 39.52 3bdv h PHE 140 CO 0.67 0.83 0.23 0.00 -2.23 0.00 0.00 178.31 177.81 3bdv h THR 141 N 1.25 1.24 -0.07 4.41 1.03 -1.98 -0.52 112.91 118.27 3bdv h THR 141 Ca 0.32 -0.80 -0.17 0.00 -0.01 0.00 0.00 66.41 65.75 3bdv h THR 141 Cb -0.00 0.48 -0.01 0.00 -1.07 0.00 0.00 68.15 67.56 3bdv h THR 141 CO -0.05 0.31 -0.69 0.03 -0.01 0.00 0.00 175.52 175.11 3bdv h ARG 142 N 0.97 0.31 -0.71 0.00 2.47 -1.91 -1.58 114.38 113.94 3bdv h ARG 142 Ca 0.22 -0.25 0.05 0.00 -1.26 0.00 0.00 59.98 58.75 3bdv h ARG 142 Cb 0.24 0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 28.56 3bdv h ARG 142 CO -0.01 0.88 0.41 0.00 0.56 0.00 0.00 179.97 181.82 3bdv h ALA 143 N 1.05 0.95 -0.68 0.04 0.00 -0.43 0.02 119.26 120.21 3bdv h ALA 143 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3bdv h ALA 143 Cb 1.25 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 3bdv h ALA 143 CO 0.11 0.12 0.44 1.96 0.00 0.00 0.00 179.25 181.89 3bdv h GLN 144 N 0.77 0.87 0.08 0.00 4.20 -0.78 0.14 115.11 120.39 3bdv h GLN 144 Ca 0.31 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.98 3bdv h GLN 144 Cb 0.15 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 3bdv h GLN 144 CO -0.17 0.57 -0.14 -0.92 -0.67 0.00 0.00 178.83 177.51 3bdv h TYR 145 N 0.89 -0.36 -0.40 2.96 3.20 -0.79 -1.19 116.97 121.29 3bdv h TYR 145 Ca 0.26 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.06 3bdv h TYR 145 Cb -0.07 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 3bdv h TYR 145 CO -0.03 -0.21 -0.03 -1.49 -1.64 0.00 0.00 178.16 174.76 3bdv h TRP 146 N -0.27 0.79 -0.45 -3.82 4.06 -0.74 -0.58 115.95 114.93 3bdv h TRP 146 Ca 0.02 -0.15 0.04 0.00 2.06 0.00 0.00 58.89 60.87 3bdv h TRP 146 Cb 0.29 -0.20 -0.04 0.00 -1.00 0.00 0.00 29.16 28.21 3bdv h TRP 146 CO -0.16 0.81 0.20 0.00 -3.56 0.00 0.00 178.44 175.74 3bdv h ALA 147 N 0.87 0.56 -0.34 1.49 0.00 -0.66 0.13 119.26 121.31 3bdv h ALA 147 Ca 0.11 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3bdv h ALA 147 Cb 0.52 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3bdv h ALA 147 CO 0.03 -0.16 0.08 0.37 0.00 0.00 0.00 179.25 179.56 3bdv h GLN 148 N 0.41 0.54 -0.80 0.00 4.15 -1.09 0.18 115.11 118.50 3bdv h GLN 148 Ca 0.20 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.49 3bdv h GLN 148 Cb 0.14 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.72 3bdv h GLN 148 CO -0.17 0.60 0.51 0.00 -1.93 0.00 0.00 178.83 177.85 3bdv h ALA 149 N 0.92 1.01 0.00 3.38 0.00 -0.63 -2.27 119.26 121.67 3bdv h ALA 149 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3bdv h ALA 149 Cb 0.31 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3bdv h ALA 149 CO 0.00 0.45 0.00 0.91 0.00 0.00 0.00 179.25 180.61 3bdv n TRP 150 N -4.51 0.00 -3.66 0.00 8.01 0.41 -1.85 117.44 115.85 3bdv n TRP 150 Ca 0.08 0.00 -0.22 0.00 -1.31 0.00 0.00 57.50 56.05 3bdv n TRP 150 Cb 0.03 -0.24 0.05 0.00 -2.01 0.00 0.00 31.31 29.14 3bdv n TRP 150 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 3bdv n ASP 151 N -1.24 -2.42 -4.74 -0.99 2.03 -0.48 -1.64 116.55 107.08 3bdv n ASP 151 Ca 0.16 -0.74 -0.31 0.00 0.52 0.00 0.00 54.79 54.42 3bdv n ASP 151 Cb 0.22 -4.39 -0.07 0.00 -0.72 0.00 0.00 41.12 36.15 3bdv n ASP 151 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3bdv s SER 152 N -4.11 5.33 0.42 1.67 0.15 -0.07 -4.60 113.70 112.48 3bdv s SER 152 Ca 0.16 -0.05 -0.24 0.00 0.70 0.00 0.00 55.95 56.52 3bdv s SER 152 Cb -0.07 -1.39 -0.08 0.00 -1.71 0.00 0.00 66.02 62.77 3bdv s SER 152 CO 0.79 0.20 1.15 -1.61 1.20 0.00 0.00 173.24 174.96 3bdv s GLU 153 N -2.19 3.99 -0.21 5.44 2.02 -0.74 -4.54 118.70 122.47 3bdv s GLU 153 Ca 0.26 1.76 -0.00 0.00 0.02 0.00 0.00 54.97 57.01 3bdv s GLU 153 Cb -0.12 -2.58 0.02 0.00 0.10 0.00 0.00 34.13 31.55 3bdv s GLU 153 CO 0.19 -0.35 -0.13 -1.17 0.02 0.00 0.00 175.26 173.81 3bdv s LEU 154 N -2.67 2.64 -0.35 1.80 1.98 -1.26 -0.64 118.68 120.19 3bdv s LEU 154 Ca 0.59 -0.72 -0.07 0.00 -2.89 0.00 0.00 54.13 51.03 3bdv s LEU 154 Cb -0.29 -1.58 0.04 0.00 0.66 0.00 0.00 46.19 45.03 3bdv s LEU 154 CO 0.35 -0.05 0.13 -0.69 -1.89 0.00 0.00 176.35 174.21 3bdv s VAL 155 N 1.32 3.97 -0.43 1.68 1.01 0.95 -4.99 120.40 123.90 3bdv s VAL 155 Ca 0.03 -1.09 -0.29 0.00 0.00 0.00 0.00 61.98 60.62 3bdv s VAL 155 Cb -0.15 -3.25 0.02 0.00 0.00 0.00 0.00 36.38 33.00 3bdv s VAL 155 CO -0.08 -0.21 1.17 -0.62 0.00 0.00 0.00 175.10 175.36 3bdv s ASP 156 N 1.47 6.65 -0.12 3.32 -1.08 -1.26 -0.96 116.67 124.69 3bdv s ASP 156 Ca -0.01 0.66 0.17 0.00 -0.52 0.00 0.00 52.55 52.85 3bdv s ASP 156 Cb -0.20 -2.55 0.70 0.00 -1.46 0.00 0.00 42.92 39.42 3bdv s ASP 156 CO 0.04 -1.20 1.60 1.33 0.52 0.00 0.00 175.17 177.46 3bdv n VAL 157 N 6.67 1.86 -4.47 1.11 0.24 -0.78 -4.97 118.33 117.99 3bdv n VAL 157 Ca 0.13 -1.15 0.00 0.00 -2.04 0.00 0.00 64.34 61.28 3bdv n VAL 157 Cb 0.48 0.04 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 3bdv n VAL 157 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3bdv n GLY 158 N 1.04 0.14 3.53 7.63 0.00 -1.26 -4.15 105.19 112.12 3bdv n GLY 158 Ca 0.25 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 3bdv n GLY 158 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bdv s GLU 159 N 0.00 3.69 -0.22 1.61 2.02 -1.26 -0.38 118.70 124.16 3bdv s GLU 159 Ca 0.00 -1.51 0.13 0.00 0.02 0.00 0.00 54.97 53.62 3bdv s GLU 159 Cb 0.00 -5.28 0.47 0.00 0.10 0.00 0.00 34.13 29.42 3bdv s GLU 159 CO 0.00 -2.09 1.37 0.00 0.02 0.00 0.00 175.26 174.56 3bdv n ALA 160 N 8.08 3.50 -0.48 5.21 0.00 -1.26 -4.94 120.51 130.62 3bdv n ALA 160 Ca 0.34 -2.82 0.00 0.00 0.00 0.00 0.00 53.44 50.96 3bdv n ALA 160 Cb 0.49 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.31 3bdv n ALA 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bdv n GLY 161 N -0.99 2.47 0.74 0.00 0.00 -1.26 -1.30 105.19 104.85 3bdv n GLY 161 Ca 0.25 -0.21 0.08 0.00 0.00 0.00 0.00 46.02 46.14 3bdv n GLY 161 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3bdv n HIS 162 N 14.00 0.48 -3.29 1.61 -0.00 -1.26 -3.23 115.22 123.52 3bdv n HIS 162 Ca 0.00 -0.24 -0.15 0.00 0.46 0.00 0.00 57.72 57.79 3bdv n HIS 162 Cb 0.00 0.00 0.05 0.00 -0.12 0.00 0.00 29.99 29.92 3bdv n HIS 162 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 3bdv n ILE 163 N 0.67 -8.78 -4.18 3.57 5.41 -0.42 -4.87 119.36 110.76 3bdv n ILE 163 Ca 0.15 -1.10 -0.15 0.00 1.00 0.00 0.00 62.75 62.64 3bdv n ILE 163 Cb 0.36 -6.22 -0.06 0.00 -0.71 0.00 0.00 39.64 33.01 3bdv n ILE 163 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 3bdv n ASN 164 N -2.90 -0.66 -0.33 4.38 0.23 -1.26 -4.91 115.26 109.80 3bdv n ASN 164 Ca -0.07 -2.72 -0.02 0.00 -0.53 0.00 0.00 54.58 51.25 3bdv n ASN 164 Cb 0.60 1.47 0.11 0.00 -2.08 0.00 0.00 39.78 39.88 3bdv n ASN 164 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3bdv h ALA 165 N 1.87 1.16 0.00 -2.53 0.00 -1.66 -1.23 119.26 116.87 3bdv h ALA 165 Ca -0.19 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3bdv h ALA 165 Cb 0.96 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 3bdv h ALA 165 CO 0.28 0.45 -0.10 0.93 0.00 0.00 0.00 179.25 180.82 3bdv h GLU 166 N 1.14 0.00 -0.01 0.00 3.07 -1.92 0.78 114.58 117.64 3bdv h GLU 166 Ca 0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.21 3bdv h GLU 166 Cb -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.88 3bdv h GLU 166 CO -0.11 0.10 -0.02 0.00 -1.40 0.00 0.00 179.01 177.58 3bdv n ALA 167 N -2.48 2.65 -0.12 3.43 0.00 -0.72 -4.93 120.51 118.33 3bdv n ALA 167 Ca -0.03 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.06 3bdv n ALA 167 Cb 0.17 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.34 3bdv n ALA 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bdv n GLY 168 N 1.14 0.93 2.84 0.00 0.00 0.27 -4.91 105.19 105.46 3bdv n GLY 168 Ca 0.20 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 3bdv n GLY 168 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bdv s PHE 169 N -2.00 2.85 0.00 1.61 0.40 -0.55 -4.51 117.98 115.79 3bdv s PHE 169 Ca 0.00 -2.98 0.00 0.00 -0.60 0.00 0.00 56.93 53.35 3bdv s PHE 169 Cb 0.00 -2.43 0.00 0.00 0.51 0.00 0.00 43.02 41.10 3bdv s PHE 169 CO 0.00 -0.70 0.00 0.41 0.70 0.00 0.00 175.22 175.63 3bdv n GLY 170 N 2.88 -0.17 0.25 4.36 0.00 0.38 -1.49 105.19 111.39 3bdv n GLY 170 Ca 0.12 -1.78 0.06 0.00 0.00 0.00 0.00 46.02 44.41 3bdv n GLY 170 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3bdv h PRO 171 N 0.00 0.11 -6.74 1.61 0.11 -1.85 -3.19 132.00 122.05 3bdv h PRO 171 Ca 0.00 -0.01 -0.50 0.00 0.11 0.00 0.00 66.00 65.59 3bdv h PRO 171 Cb 0.00 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.09 3bdv h PRO 171 CO 0.00 0.17 -1.03 1.87 -0.21 0.00 0.00 178.00 178.80 3bdv n TRP 172 N -4.42 -1.87 0.07 0.65 -0.00 -1.26 -4.87 117.44 105.75 3bdv n TRP 172 Ca -0.02 0.59 0.04 0.00 -0.00 0.00 0.00 57.50 58.12 3bdv n TRP 172 Cb 0.17 -2.85 0.45 0.00 -0.00 0.00 0.00 31.31 29.08 3bdv n TRP 172 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 177.69 178.62 3bdv h GLU 173 N -1.05 0.37 -0.76 5.87 5.08 -1.99 -2.44 114.58 119.66 3bdv h GLU 173 Ca -0.64 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 57.66 3bdv h GLU 173 Cb 1.39 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.53 3bdv h GLU 173 CO 0.42 0.31 0.40 -0.92 -1.00 0.00 0.00 179.01 178.21 3bdv h TYR 174 N 0.38 1.06 -0.64 4.33 3.20 -1.99 0.22 116.97 123.53 3bdv h TYR 174 Ca 0.10 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 3bdv h TYR 174 Cb 0.07 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 37.97 3bdv h TYR 174 CO 0.00 0.76 0.39 0.78 -1.64 0.00 0.00 178.16 178.45 3bdv h GLY 175 N 1.06 0.93 1.00 1.82 0.00 -1.81 -0.87 103.07 105.20 3bdv h GLY 175 Ca 0.27 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 3bdv h GLY 175 CO -0.04 0.37 0.40 1.41 0.00 0.00 0.00 176.54 178.68 3bdv h LEU 176 N 0.87 0.82 0.16 3.11 3.38 -1.15 -0.01 115.31 122.49 3bdv h LEU 176 Ca 0.23 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.14 3bdv h LEU 176 Cb -0.03 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3bdv h LEU 176 CO -0.04 0.65 -0.19 0.50 0.09 0.00 0.00 178.44 179.45 3bdv h LYS 177 N 0.92 -0.37 -0.95 1.13 3.64 -0.30 -1.06 116.57 119.58 3bdv h LYS 177 Ca 0.24 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.67 3bdv h LYS 177 Cb -0.01 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.84 3bdv h LYS 177 CO -0.04 -0.25 0.62 0.00 -2.27 0.00 0.00 179.45 177.51 3bdv h ARG 178 N -0.39 1.20 -0.84 1.90 2.47 -1.06 -2.29 114.38 115.38 3bdv h ARG 178 Ca 0.01 -0.07 0.02 0.00 -1.26 0.00 0.00 59.98 58.68 3bdv h ARG 178 Cb 0.38 -0.27 -0.05 0.00 -1.65 0.00 0.00 29.97 28.38 3bdv h ARG 178 CO -0.07 0.79 0.55 1.25 0.56 0.00 0.00 179.97 183.05 3bdv h LEU 179 N 1.23 0.92 -0.25 3.04 5.85 -0.81 -1.52 115.31 123.78 3bdv h LEU 179 Ca 0.36 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.07 3bdv h LEU 179 Cb -0.06 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 3bdv h LEU 179 CO -0.10 0.65 0.16 0.00 -0.34 0.00 0.00 178.44 178.81 3bdv h ALA 180 N 1.33 0.32 -0.21 1.25 0.00 -0.73 0.50 119.26 121.72 3bdv h ALA 180 Ca 0.32 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.25 3bdv h ALA 180 Cb -0.05 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3bdv h ALA 180 CO -0.09 -0.20 -0.03 0.93 0.00 0.00 0.00 179.25 179.86 3bdv h GLU 181 N 0.33 0.03 0.04 0.00 5.08 -1.17 -1.36 114.58 117.52 3bdv h GLU 181 Ca 0.09 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3bdv h GLU 181 Cb -0.02 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3bdv h GLU 181 CO -0.02 0.02 -0.02 0.35 -1.00 0.00 0.00 179.01 178.34 3bdv h PHE 182 N 0.03 -0.04 -0.29 4.33 3.57 -1.19 -3.29 116.94 120.06 3bdv h PHE 182 Ca 0.10 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.52 3bdv h PHE 182 Cb 0.14 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 3bdv h PHE 182 CO -0.20 0.29 -0.17 0.66 -2.23 0.00 0.00 178.31 176.66 3bdv h SER 183 N -0.38 0.51 -0.71 0.41 4.64 -0.83 -3.05 113.55 114.15 3bdv h SER 183 Ca -0.00 -0.15 0.07 0.00 -0.47 0.00 0.00 61.79 61.24 3bdv h SER 183 Cb 0.35 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 62.26 3bdv h SER 183 CO 0.01 0.70 0.46 -0.33 -0.87 0.00 0.00 176.83 176.80 3bdv h GLU 184 N 0.47 0.67 0.00 4.77 5.08 -1.31 0.17 114.58 124.43 3bdv h GLU 184 Ca 0.08 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3bdv h GLU 184 Cb 0.57 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3bdv h GLU 184 CO 0.04 0.44 0.00 0.44 -1.00 0.00 0.00 179.01 178.93 3bdv n ILE 185 N -4.48 0.38 1.02 3.13 -5.35 -1.15 -2.28 119.36 110.63 3bdv n ILE 185 Ca 0.11 0.10 0.11 0.00 -0.27 0.00 0.00 62.75 62.80 3bdv n ILE 185 Cb 0.26 -0.71 0.04 0.00 -1.74 0.00 0.00 39.64 37.48 3bdv n ILE 185 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3bdv n LEU 186 N -1.41 2.15 -4.71 7.28 4.77 0.56 -4.95 117.00 120.68 3bdv n LEU 186 Ca 0.08 -0.77 -0.42 0.00 -0.03 0.00 0.00 56.01 54.86 3bdv n LEU 186 Cb 0.23 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 3bdv n LEU 186 CO 0.19 0.39 1.12 -0.63 -1.33 0.00 0.00 177.39 177.13 3bdv s ILE 187 N -2.39 3.17 0.22 -0.08 1.01 -0.97 -4.93 121.20 117.23 3bdv s ILE 187 Ca 0.21 0.82 -0.09 0.00 0.00 0.00 0.00 60.65 61.58 3bdv s ILE 187 Cb 0.18 -3.52 0.17 0.00 0.01 0.00 0.00 42.46 39.30 3bdv s ILE 187 CO 0.52 0.05 1.86 -0.65 0.00 0.00 0.00 174.94 176.72 3bdv h PRO 188 N 6.97 0.91 -3.48 2.79 0.11 -1.90 -3.38 132.00 134.00 3bdv h PRO 188 Ca -0.42 -0.05 -0.63 0.00 0.11 0.00 0.00 66.00 65.01 3bdv h PRO 188 Cb 1.21 -0.20 -0.40 0.00 0.11 0.00 0.00 31.00 31.71 3bdv h PRO 188 CO 0.88 0.60 -0.69 -0.80 -0.21 0.00 0.00 178.00 177.78 3bdv s ASN 189 N -5.79 4.15 0.00 -2.05 0.01 -1.26 -5.24 114.94 104.76 3bdv s ASN 189 Ca -0.13 -2.63 0.09 0.00 -0.71 0.00 0.00 52.86 49.48 3bdv s ASN 189 Cb 0.16 -1.37 0.07 0.00 0.41 0.00 0.00 41.25 40.52 3bdv s ASN 189 CO 0.78 -0.28 0.78 -1.14 -1.51 0.00 0.00 177.10 175.73