#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bv4 n PRO 5 N 0.00 0.73 -1.73 -0.41 -0.04 -1.26 -4.91 135.00 127.38 3bv4 n PRO 5 Ca 0.00 0.26 -0.36 0.00 -0.04 0.00 0.00 63.50 63.37 3bv4 n PRO 5 Cb 0.00 -1.60 0.06 0.00 -0.04 0.00 0.00 33.50 31.92 3bv4 n PRO 5 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3bv4 s ALA 6 N -1.39 2.35 0.41 0.55 0.00 -1.26 -4.97 121.76 117.44 3bv4 s ALA 6 Ca 0.63 1.02 -0.24 0.00 0.00 0.00 0.00 51.96 53.37 3bv4 s ALA 6 Cb -0.61 -3.49 -0.09 0.00 0.00 0.00 0.00 23.12 18.94 3bv4 s ALA 6 CO 0.58 -1.54 1.09 -0.51 0.00 0.00 0.00 175.76 175.37 3bv4 s LEU 7 N -4.55 4.12 0.63 0.00 1.43 -1.26 -5.06 118.68 114.00 3bv4 s LEU 7 Ca 0.78 2.13 -0.05 0.00 -1.03 0.00 0.00 54.13 55.96 3bv4 s LEU 7 Cb -0.32 -4.17 0.03 0.00 0.03 0.00 0.00 46.19 41.76 3bv4 s LEU 7 CO 0.39 -0.60 0.93 0.42 0.23 0.00 0.00 176.35 177.72 3bv4 s THR 8 N -1.60 3.06 0.29 5.49 -4.23 -1.26 -4.88 115.64 112.51 3bv4 s THR 8 Ca 0.59 -0.17 -0.01 0.00 -1.18 0.00 0.00 61.69 60.92 3bv4 s THR 8 Cb -0.25 -3.24 0.27 0.00 1.34 0.00 0.00 72.50 70.63 3bv4 s THR 8 CO 0.31 -0.25 1.91 -0.65 -0.54 0.00 0.00 174.62 175.40 3bv4 h PRO 9 N -0.30 1.06 -0.32 3.99 0.11 -1.99 -0.88 132.00 133.66 3bv4 h PRO 9 Ca -0.45 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 3bv4 h PRO 9 Cb 1.28 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3bv4 h PRO 9 CO 0.60 0.70 0.15 1.49 -0.21 0.00 0.00 178.00 180.73 3bv4 h GLU 10 N 1.10 0.47 -0.82 1.05 4.81 -1.99 -0.38 114.58 118.80 3bv4 h GLU 10 Ca 0.39 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.51 3bv4 h GLU 10 Cb 0.13 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.39 3bv4 h GLU 10 CO -0.14 0.44 0.37 1.96 -0.73 0.00 0.00 179.01 180.91 3bv4 h GLN 11 N 0.39 1.21 -0.43 1.92 4.20 -1.78 -1.77 115.11 118.84 3bv4 h GLN 11 Ca 0.11 -0.20 -0.09 0.00 0.06 0.00 0.00 58.65 58.54 3bv4 h GLN 11 Cb 0.13 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3bv4 h GLN 11 CO -0.01 0.95 -0.07 0.87 -0.67 0.00 0.00 178.83 179.90 3bv4 h LYS 12 N 1.19 0.81 -0.70 1.46 1.57 -0.96 -2.37 116.57 117.58 3bv4 h LYS 12 Ca 0.28 -0.29 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3bv4 h LYS 12 Cb 0.16 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 3bv4 h LYS 12 CO -0.03 0.91 0.46 -0.22 -0.57 0.00 0.00 179.45 180.00 3bv4 h LYS 13 N 0.64 0.91 -0.16 3.15 3.64 -0.80 0.69 116.57 124.65 3bv4 h LYS 13 Ca 0.11 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3bv4 h LYS 13 Cb 0.59 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 3bv4 h LYS 13 CO 0.04 0.61 0.10 1.49 -2.27 0.00 0.00 179.45 179.41 3bv4 h GLU 14 N 0.94 0.20 -0.32 1.90 4.81 -1.20 -0.06 114.58 120.84 3bv4 h GLU 14 Ca 0.26 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.46 3bv4 h GLU 14 Cb -0.11 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 3bv4 h GLU 14 CO -0.06 0.13 0.14 -0.07 -0.73 0.00 0.00 179.01 178.42 3bv4 h LEU 15 N 0.21 0.44 -0.68 1.64 3.38 -1.04 -1.65 115.31 117.62 3bv4 h LEU 15 Ca 0.06 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3bv4 h LEU 15 Cb -0.02 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3bv4 h LEU 15 CO -0.02 0.48 0.27 -1.28 0.09 0.00 0.00 178.44 177.98 3bv4 h SER 16 N 0.38 0.94 -0.54 -0.43 0.87 -0.74 -1.09 113.55 112.94 3bv4 h SER 16 Ca 0.11 -0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.46 3bv4 h SER 16 Cb 0.17 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 3bv4 h SER 16 CO -0.01 0.86 0.22 0.44 -0.53 0.00 0.00 176.83 177.81 3bv4 h ASP 17 N 0.97 0.74 -0.03 6.23 3.32 -0.84 -1.17 116.42 125.63 3bv4 h ASP 17 Ca 0.23 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 3bv4 h ASP 17 Cb 0.22 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 3bv4 h ASP 17 CO -0.02 0.70 0.02 0.40 -1.72 0.00 0.00 179.24 178.62 3bv4 h ILE 18 N 0.73 1.09 -0.61 0.35 2.04 -1.08 -1.54 117.51 118.49 3bv4 h ILE 18 Ca 0.18 -0.26 0.04 0.00 1.00 0.00 0.00 64.86 65.83 3bv4 h ILE 18 Cb 0.19 1.21 -0.05 0.00 -0.74 0.00 0.00 36.82 37.43 3bv4 h ILE 18 CO -0.02 0.07 0.35 0.00 0.00 0.00 0.00 178.15 178.55 3bv4 h ALA 19 N 0.91 0.80 -0.25 1.87 0.00 -1.05 -2.48 119.26 119.06 3bv4 h ALA 19 Ca 0.01 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3bv4 h ALA 19 Cb 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3bv4 h ALA 19 CO -0.00 0.04 -0.23 0.45 0.00 0.00 0.00 179.25 179.50 3bv4 h HIS 20 N 0.66 0.53 -0.43 0.00 3.86 -1.06 -3.02 115.15 115.69 3bv4 h HIS 20 Ca 0.26 -0.11 -0.11 0.00 -1.16 0.00 0.00 60.37 59.26 3bv4 h HIS 20 Cb 0.12 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.44 3bv4 h HIS 20 CO -0.07 0.68 -0.17 0.00 0.86 0.00 0.00 177.93 179.23 3bv4 h ARG 21 N 0.42 0.81 -0.74 2.45 3.08 -0.85 -2.17 114.38 117.39 3bv4 h ARG 21 Ca 0.06 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.80 3bv4 h ARG 21 Cb 0.64 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 3bv4 h ARG 21 CO 0.05 0.92 0.40 0.82 -1.07 0.00 0.00 179.97 181.09 3bv4 h ILE 22 N 0.72 1.22 -0.51 2.04 2.04 -1.34 -3.10 117.51 118.58 3bv4 h ILE 22 Ca 0.11 -0.56 -0.21 0.00 1.00 0.00 0.00 64.86 65.19 3bv4 h ILE 22 Cb 0.67 0.25 -0.13 0.00 -0.74 0.00 0.00 36.82 36.88 3bv4 h ILE 22 CO 0.05 0.25 0.13 1.33 0.00 0.00 0.00 178.15 179.91 3bv4 n VAL 23 N -4.46 2.69 -1.34 1.67 0.24 -1.18 -4.06 118.33 111.88 3bv4 n VAL 23 Ca 0.07 -2.26 -0.36 0.00 -2.04 0.00 0.00 64.34 59.75 3bv4 n VAL 23 Cb 0.09 -0.34 0.09 0.00 -1.47 0.00 0.00 33.84 32.21 3bv4 n VAL 23 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3bv4 n ALA 24 N -0.86 -0.26 -1.55 2.33 0.00 -0.82 -4.71 120.51 114.63 3bv4 n ALA 24 Ca 0.37 -0.20 -0.59 0.00 0.00 0.00 0.00 53.44 53.02 3bv4 n ALA 24 Cb 1.18 -2.12 -0.08 0.00 0.00 0.00 0.00 19.45 18.44 3bv4 n ALA 24 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3bv4 n PRO 25 N -1.91 0.22 -0.36 0.00 -0.02 -1.26 -0.69 135.00 130.98 3bv4 n PRO 25 Ca 0.13 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3bv4 n PRO 25 Cb 0.49 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 3bv4 n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bv4 n GLY 26 N 2.01 1.89 3.76 -1.23 0.00 -1.26 -5.03 105.19 105.33 3bv4 n GLY 26 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 3bv4 n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bv4 s LYS 27 N -0.14 2.80 0.02 1.61 1.02 0.13 -4.37 119.74 120.80 3bv4 s LYS 27 Ca 0.00 -0.81 0.00 0.00 0.02 0.00 0.00 55.97 55.18 3bv4 s LYS 27 Cb 0.00 -2.64 -0.00 0.00 -0.52 0.00 0.00 37.83 34.67 3bv4 s LYS 27 CO 0.00 0.53 0.02 0.41 -0.92 0.00 0.00 175.35 175.39 3bv4 n GLY 28 N 0.16 3.61 3.37 -3.33 0.00 -0.08 -4.62 105.19 104.29 3bv4 n GLY 28 Ca -0.09 -1.56 -0.32 0.00 0.00 0.00 0.00 46.02 44.05 3bv4 n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bv4 s ILE 29 N -2.23 2.64 -0.33 -0.61 1.01 0.17 -0.49 121.20 121.36 3bv4 s ILE 29 Ca 0.02 -0.86 -0.17 0.00 0.00 0.00 0.00 60.65 59.64 3bv4 s ILE 29 Cb 0.00 -2.02 -0.01 0.00 0.01 0.00 0.00 42.46 40.44 3bv4 s ILE 29 CO 0.01 0.57 0.48 -0.22 0.00 0.00 0.00 174.94 175.79 3bv4 s LEU 30 N -0.28 4.30 -0.70 2.97 2.96 -0.52 -1.88 118.68 125.54 3bv4 s LEU 30 Ca 0.01 0.03 -0.19 0.00 -0.22 0.00 0.00 54.13 53.76 3bv4 s LEU 30 Cb -0.13 -2.55 0.12 0.00 0.50 0.00 0.00 46.19 44.13 3bv4 s LEU 30 CO 0.03 -0.42 0.83 0.00 -1.32 0.00 0.00 176.35 175.47 3bv4 s ALA 31 N 2.31 3.45 -0.35 5.97 0.00 0.28 -1.17 121.76 132.25 3bv4 s ALA 31 Ca 0.18 -2.43 0.06 0.00 0.00 0.00 0.00 51.96 49.77 3bv4 s ALA 31 Cb -0.16 -3.67 0.46 0.00 0.00 0.00 0.00 23.12 19.75 3bv4 s ALA 31 CO 0.12 -2.52 1.38 0.00 0.00 0.00 0.00 175.76 174.74 3bv4 n ALA 32 N 6.25 5.06 -1.38 0.00 0.00 -0.62 -4.08 120.51 125.74 3bv4 n ALA 32 Ca 0.01 -3.61 -0.28 0.00 0.00 0.00 0.00 53.44 49.56 3bv4 n ALA 32 Cb 0.45 -0.63 0.12 0.00 0.00 0.00 0.00 19.45 19.38 3bv4 n ALA 32 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3bv4 n ASP 33 N -0.84 5.71 -4.72 0.00 5.75 -1.07 -4.21 116.55 117.17 3bv4 n ASP 33 Ca 0.44 -3.73 -0.42 0.00 -0.01 0.00 0.00 54.79 51.07 3bv4 n ASP 33 Cb 0.90 -0.84 -0.03 0.00 -1.03 0.00 0.00 41.12 40.12 3bv4 n ASP 33 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3bv4 s GLU 34 N -3.59 4.43 1.09 0.11 8.01 -1.26 -4.47 118.70 123.02 3bv4 s GLU 34 Ca 0.59 1.89 -0.17 0.00 0.01 0.00 0.00 54.97 57.29 3bv4 s GLU 34 Cb 0.48 -3.28 0.24 0.00 -4.31 0.00 0.00 34.13 27.27 3bv4 s GLU 34 CO 0.03 -0.23 1.18 -1.54 0.01 0.00 0.00 175.26 174.71 3bv4 s SER 35 N 0.67 1.89 0.20 -0.19 1.04 -1.26 -4.59 113.70 111.46 3bv4 s SER 35 Ca 0.58 0.56 -0.10 0.00 0.48 0.00 0.00 55.95 57.46 3bv4 s SER 35 Cb -0.33 -0.78 0.14 0.00 0.10 0.00 0.00 66.02 65.15 3bv4 s SER 35 CO 0.33 -3.52 1.82 0.74 0.98 0.00 0.00 173.24 173.59 3bv4 h THR 36 N -2.17 1.22 -0.55 2.02 2.02 -1.97 0.24 112.91 113.72 3bv4 h THR 36 Ca -0.46 -0.52 -0.05 0.00 0.77 0.00 0.00 66.41 66.16 3bv4 h THR 36 Cb 1.28 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 3bv4 h THR 36 CO 0.39 0.23 0.16 1.23 0.37 0.00 0.00 175.52 177.90 3bv4 h GLY 37 N 0.99 0.88 0.37 2.16 0.00 -1.99 0.27 103.07 105.76 3bv4 h GLY 37 Ca 0.26 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 3bv4 h GLY 37 CO -0.04 0.46 -0.16 0.23 0.00 0.00 0.00 176.54 177.03 3bv4 h SER 38 N 0.80 0.14 0.53 0.19 0.87 -1.79 -3.23 113.55 111.06 3bv4 h SER 38 Ca 0.18 -0.77 -0.03 0.00 -1.23 0.00 0.00 61.79 59.94 3bv4 h SER 38 Cb 0.26 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.17 3bv4 h SER 38 CO -0.01 0.89 -0.13 -0.29 -0.53 0.00 0.00 176.83 176.77 3bv4 h ILE 39 N -0.60 0.48 -0.40 2.23 6.09 -0.46 -2.87 117.51 121.99 3bv4 h ILE 39 Ca -0.02 -0.64 0.05 0.00 -1.37 0.00 0.00 64.86 62.88 3bv4 h ILE 39 Cb 0.92 1.44 -0.04 0.00 0.47 0.00 0.00 36.82 39.60 3bv4 h ILE 39 CO 0.03 0.13 0.14 0.00 -3.07 0.00 0.00 178.15 175.38 3bv4 h ALA 40 N 1.87 0.47 -0.20 0.18 0.00 -0.48 -0.51 119.26 120.59 3bv4 h ALA 40 Ca -0.00 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3bv4 h ALA 40 Cb 0.43 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3bv4 h ALA 40 CO 0.02 -0.25 -0.26 0.87 0.00 0.00 0.00 179.25 179.63 3bv4 h LYS 41 N 0.31 0.38 -0.25 0.00 1.57 -1.59 -1.63 116.57 115.34 3bv4 h LYS 41 Ca 0.18 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 3bv4 h LYS 41 Cb 0.16 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3bv4 h LYS 41 CO -0.18 0.61 0.00 0.00 -0.57 0.00 0.00 179.45 179.31 3bv4 h ARG 42 N 0.33 0.44 -0.24 3.15 2.47 -1.38 -2.74 114.38 116.42 3bv4 h ARG 42 Ca 0.05 -0.14 -0.10 0.00 -1.26 0.00 0.00 59.98 58.53 3bv4 h ARG 42 Cb 0.64 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.91 3bv4 h ARG 42 CO 0.05 0.61 -0.28 -0.07 0.56 0.00 0.00 179.97 180.84 3bv4 h LEU 43 N 0.23 0.48 -1.09 3.04 4.07 -0.92 -2.67 115.31 118.45 3bv4 h LEU 43 Ca 0.07 -0.17 -0.07 0.00 0.08 0.00 0.00 57.88 57.79 3bv4 h LEU 43 Cb 0.41 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.00 3bv4 h LEU 43 CO 0.01 0.75 -0.36 -0.61 -1.08 0.00 0.00 178.44 177.15 3bv4 h GLN 44 N 0.41 0.00 0.00 1.13 5.75 -1.27 -1.13 115.11 120.00 3bv4 h GLN 44 Ca 0.06 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.55 3bv4 h GLN 44 Cb 0.70 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.25 3bv4 h GLN 44 CO 0.05 0.36 -0.03 0.66 -2.65 0.00 0.00 178.83 177.22 3bv4 h SER 45 N 0.00 0.00 -0.17 -0.69 4.64 -1.15 -2.23 113.55 113.95 3bv4 h SER 45 Ca -0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 3bv4 h SER 45 Cb 0.81 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.87 3bv4 h SER 45 CO 0.05 0.03 -0.12 2.30 -0.87 0.00 0.00 176.83 178.21 3bv4 n ILE 46 N -3.18 2.24 -4.05 0.95 -5.35 -0.82 -4.98 119.36 104.17 3bv4 n ILE 46 Ca -0.01 -2.50 -0.30 0.00 -0.27 0.00 0.00 62.75 59.67 3bv4 n ILE 46 Cb 0.22 -0.27 -0.02 0.00 -1.74 0.00 0.00 39.64 37.83 3bv4 n ILE 46 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3bv4 n GLY 47 N -1.06 -0.33 3.23 3.28 0.00 -0.84 -4.57 105.19 104.90 3bv4 n GLY 47 Ca 0.23 0.15 -0.30 0.00 0.00 0.00 0.00 46.02 46.10 3bv4 n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bv4 s THR 48 N -3.64 1.88 0.22 2.61 2.01 -0.49 -4.95 115.64 113.29 3bv4 s THR 48 Ca 0.35 -0.97 -0.31 0.00 0.31 0.00 0.00 61.69 61.07 3bv4 s THR 48 Cb -0.19 -1.59 -0.11 0.00 0.01 0.00 0.00 72.50 70.62 3bv4 s THR 48 CO 0.90 0.53 1.61 -1.61 -0.69 0.00 0.00 174.62 175.35 3bv4 s GLU 49 N -0.14 4.17 -1.05 4.92 0.41 -1.26 -4.21 118.70 121.54 3bv4 s GLU 49 Ca -0.03 2.49 -0.18 0.00 -0.41 0.00 0.00 54.97 56.85 3bv4 s GLU 49 Cb -0.13 -3.09 0.13 0.00 -1.78 0.00 0.00 34.13 29.26 3bv4 s GLU 49 CO 0.03 -0.63 1.30 1.21 -0.49 0.00 0.00 175.26 176.68 3bv4 s ASN 50 N 0.87 6.77 0.29 -0.19 2.47 -1.26 -4.74 114.94 119.15 3bv4 s ASN 50 Ca 0.68 -2.30 0.11 0.00 0.42 0.00 0.00 52.86 51.77 3bv4 s ASN 50 Cb -0.46 -2.43 -0.05 0.00 -1.45 0.00 0.00 41.25 36.85 3bv4 s ASN 50 CO 0.38 -1.02 -0.17 0.42 -3.72 0.00 0.00 177.10 172.99 3bv4 s THR 51 N 2.71 2.34 0.29 -5.21 -4.23 -1.26 -5.03 115.64 105.25 3bv4 s THR 51 Ca 0.39 -2.34 -0.00 0.00 -1.18 0.00 0.00 61.69 58.55 3bv4 s THR 51 Cb -0.03 -2.36 0.28 0.00 1.34 0.00 0.00 72.50 71.72 3bv4 s THR 51 CO -0.05 -0.37 1.91 -0.08 -0.54 0.00 0.00 174.62 175.49 3bv4 h GLU 52 N 2.24 1.05 -0.43 3.99 4.81 -1.99 -0.86 114.58 123.38 3bv4 h GLU 52 Ca -0.40 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 58.64 3bv4 h GLU 52 Cb 1.25 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 3bv4 h GLU 52 CO 0.63 0.69 -0.22 1.49 -0.73 0.00 0.00 179.01 180.87 3bv4 h GLU 53 N 1.08 0.91 -0.10 1.92 4.57 -1.96 0.86 114.58 121.86 3bv4 h GLU 53 Ca 0.39 -0.40 -0.11 0.00 -1.18 0.00 0.00 59.36 58.06 3bv4 h GLU 53 Cb 0.15 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 3bv4 h GLU 53 CO -0.14 1.06 -0.44 -0.91 -1.18 0.00 0.00 179.01 177.40 3bv4 h ASN 54 N 0.74 0.25 -0.43 1.04 2.35 -1.74 0.18 115.58 117.98 3bv4 h ASN 54 Ca 0.10 -0.11 -0.14 0.00 -0.55 0.00 0.00 56.30 55.59 3bv4 h ASN 54 Cb 0.79 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 3bv4 h ASN 54 CO 0.06 0.66 -0.30 0.03 -1.65 0.00 0.00 177.43 176.24 3bv4 h ARG 55 N 0.20 0.96 -0.43 0.81 3.08 -0.97 -0.75 114.38 117.27 3bv4 h ARG 55 Ca 0.02 -0.46 -0.05 0.00 0.07 0.00 0.00 59.98 59.56 3bv4 h ARG 55 Cb 0.85 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 3bv4 h ARG 55 CO 0.07 1.12 0.07 -0.09 -1.07 0.00 0.00 179.97 180.07 3bv4 h ARG 56 N 0.79 0.71 -0.68 0.04 2.43 -0.41 -1.46 114.38 115.81 3bv4 h ARG 56 Ca 0.08 -0.19 -0.05 0.00 -0.81 0.00 0.00 59.98 59.01 3bv4 h ARG 56 Cb 0.89 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.32 3bv4 h ARG 56 CO 0.08 0.74 0.23 0.35 -1.51 0.00 0.00 179.97 179.86 3bv4 h PHE 57 N 0.57 1.08 -0.47 2.20 3.57 -0.51 -0.26 116.94 123.12 3bv4 h PHE 57 Ca 0.13 -0.10 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 3bv4 h PHE 57 Cb 0.38 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 3bv4 h PHE 57 CO 0.03 0.86 0.05 -0.92 -2.23 0.00 0.00 178.31 176.10 3bv4 h TYR 58 N 0.99 0.84 -0.46 0.41 3.20 -0.98 -0.47 116.97 120.50 3bv4 h TYR 58 Ca 0.22 -0.13 -0.09 0.00 3.14 0.00 0.00 58.73 61.87 3bv4 h TYR 58 Cb 0.27 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 3bv4 h TYR 58 CO 0.02 0.79 -0.09 0.00 -1.64 0.00 0.00 178.16 177.24 3bv4 h ARG 59 N 0.65 0.81 -0.80 1.82 -0.00 -1.10 -2.45 114.38 113.32 3bv4 h ARG 59 Ca 0.14 -0.26 -0.02 0.00 -0.50 0.00 0.00 59.98 59.34 3bv4 h ARG 59 Cb 0.42 -0.07 -0.04 0.00 0.00 0.00 0.00 29.97 30.28 3bv4 h ARG 59 CO 0.01 0.87 0.42 0.37 0.00 0.00 0.00 179.97 181.65 3bv4 h GLN 60 N 0.74 1.12 -0.49 0.04 4.15 -0.75 -0.35 115.11 119.57 3bv4 h GLN 60 Ca 0.13 -0.14 0.06 0.00 0.77 0.00 0.00 58.65 59.47 3bv4 h GLN 60 Cb 0.57 -0.21 -0.05 0.00 0.21 0.00 0.00 27.48 28.00 3bv4 h GLN 60 CO 0.04 0.84 0.20 1.25 -1.93 0.00 0.00 178.83 179.22 3bv4 h LEU 61 N 1.11 0.23 -0.07 -2.39 6.46 -0.64 -0.79 115.31 119.22 3bv4 h LEU 61 Ca 0.28 0.05 -0.05 0.00 -0.12 0.00 0.00 57.88 58.04 3bv4 h LEU 61 Cb 0.06 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.01 3bv4 h LEU 61 CO -0.04 0.16 -0.15 -0.07 -0.62 0.00 0.00 178.44 177.72 3bv4 h LEU 62 N 0.39 0.26 -1.49 2.25 3.38 -1.05 -3.26 115.31 115.80 3bv4 h LEU 62 Ca 0.23 -0.57 -0.05 0.00 0.09 0.00 0.00 57.88 57.58 3bv4 h LEU 62 Cb 0.22 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3bv4 h LEU 62 CO -0.22 0.78 -0.23 -0.07 0.09 0.00 0.00 178.44 178.80 3bv4 h LEU 63 N -0.24 0.00 -3.35 1.67 3.38 -0.92 -3.02 115.31 112.82 3bv4 h LEU 63 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3bv4 h LEU 63 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3bv4 h LEU 63 CO 0.03 0.23 0.00 0.35 0.09 0.00 0.00 178.44 179.14 3bv4 n THR 64 N -3.70 2.30 -0.60 0.22 -2.24 -0.31 -4.77 114.28 105.17 3bv4 n THR 64 Ca -0.01 -1.32 -0.30 0.00 -2.27 0.00 0.00 64.05 60.14 3bv4 n THR 64 Cb 0.35 -0.07 0.20 0.00 -2.10 0.00 0.00 70.33 68.70 3bv4 n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bv4 n ALA 65 N 0.85 -2.37 -1.36 6.98 0.00 -1.15 -4.93 120.51 118.53 3bv4 n ALA 65 Ca 0.27 -0.93 -0.29 0.00 0.00 0.00 0.00 53.44 52.49 3bv4 n ALA 65 Cb 1.04 -1.97 0.14 0.00 0.00 0.00 0.00 19.45 18.66 3bv4 n ALA 65 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3bv4 s ASP 66 N -2.35 3.39 0.00 0.00 1.47 -1.26 -4.85 116.67 113.07 3bv4 s ASP 66 Ca 0.65 1.20 0.00 0.00 1.18 0.00 0.00 52.55 55.58 3bv4 s ASP 66 Cb -0.22 -1.85 0.00 0.00 -0.34 0.00 0.00 42.92 40.51 3bv4 s ASP 66 CO 0.63 -2.65 0.69 -0.90 0.68 0.00 0.00 175.17 173.62 3bv4 n ASP 67 N -3.86 0.00 0.28 2.11 5.68 -1.26 -2.38 116.55 117.12 3bv4 n ASP 67 Ca 0.06 0.20 0.15 0.00 -0.50 0.00 0.00 54.79 54.71 3bv4 n ASP 67 Cb 0.57 -0.20 0.81 0.00 -1.14 0.00 0.00 41.12 41.16 3bv4 n ASP 67 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 3bv4 h ARG 68 N 0.00 0.00 0.00 0.11 3.08 -2.01 -2.30 114.38 113.27 3bv4 h ARG 68 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3bv4 h ARG 68 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3bv4 h ARG 68 CO 0.00 0.08 -0.41 1.33 -1.07 0.00 0.00 179.97 179.90 3bv4 n VAL 69 N -3.45 0.41 -0.12 2.04 0.24 -1.00 -4.29 118.33 112.15 3bv4 n VAL 69 Ca -0.02 -0.26 -0.05 0.00 -2.04 0.00 0.00 64.34 61.98 3bv4 n VAL 69 Cb 0.22 -0.27 0.02 0.00 -1.47 0.00 0.00 33.84 32.34 3bv4 n VAL 69 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 3bv4 h ASN 70 N 0.00 -0.45 0.38 -1.34 4.21 -1.62 0.65 115.58 117.40 3bv4 h ASN 70 Ca 0.00 0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.64 3bv4 h ASN 70 Cb 0.73 0.28 0.00 0.00 -1.12 0.00 0.00 38.32 38.21 3bv4 h ASN 70 CO 0.00 -0.16 0.00 -0.81 -1.29 0.00 0.00 177.43 175.17 3bv4 n PRO 71 N -5.33 0.42 -0.07 0.81 -0.04 -1.26 -3.26 135.00 126.27 3bv4 n PRO 71 Ca 0.03 0.05 -0.05 0.00 -0.04 0.00 0.00 63.50 63.48 3bv4 n PRO 71 Cb 0.24 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.04 3bv4 n PRO 71 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3bv4 s ILE 73 N -2.72 3.87 -0.21 0.00 -1.09 -0.12 -0.90 121.20 120.01 3bv4 s ILE 73 Ca -0.09 -1.46 0.20 0.00 -2.23 0.00 0.00 60.65 57.07 3bv4 s ILE 73 Cb 0.08 -3.37 0.01 0.00 -1.58 0.00 0.00 42.46 37.59 3bv4 s ILE 73 CO 0.84 -0.44 1.09 1.23 -1.23 0.00 0.00 174.94 176.43 3bv4 h GLY 74 N 8.27 0.00 -3.48 6.18 0.00 -0.93 -3.38 103.07 109.73 3bv4 h GLY 74 Ca -0.21 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 3bv4 h GLY 74 CO 0.70 0.00 0.02 -0.32 0.00 0.00 0.00 176.54 176.93 3bv4 s GLY 75 N -4.49 -0.40 -0.07 4.60 0.00 -1.14 -1.07 107.32 104.75 3bv4 s GLY 75 Ca 0.00 0.43 -0.01 0.00 0.00 0.00 0.00 44.72 45.14 3bv4 s GLY 75 CO 0.78 0.14 -0.02 0.14 0.00 0.00 0.00 173.10 174.14 3bv4 s VAL 76 N -2.84 0.48 -0.13 1.40 1.01 -0.55 -1.43 120.40 118.34 3bv4 s VAL 76 Ca -0.03 0.02 -0.19 0.00 0.00 0.00 0.00 61.98 61.78 3bv4 s VAL 76 Cb -0.00 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 3bv4 s VAL 76 CO -0.05 0.26 0.51 -0.63 0.00 0.00 0.00 175.10 175.20 3bv4 s ILE 77 N 1.71 5.15 0.28 2.22 1.01 -0.32 -0.32 121.20 130.93 3bv4 s ILE 77 Ca 0.01 1.02 0.10 0.00 0.00 0.00 0.00 60.65 61.79 3bv4 s ILE 77 Cb -0.13 -3.85 -0.05 0.00 0.01 0.00 0.00 42.46 38.45 3bv4 s ILE 77 CO -0.04 0.28 -0.08 -0.76 0.00 0.00 0.00 174.94 174.34 3bv4 s LEU 78 N 0.87 2.93 0.26 2.97 1.43 0.14 -1.58 118.68 125.70 3bv4 s LEU 78 Ca 0.27 -0.83 -0.07 0.00 -1.03 0.00 0.00 54.13 52.47 3bv4 s LEU 78 Cb -0.15 -1.43 -0.06 0.00 0.03 0.00 0.00 46.19 44.57 3bv4 s LEU 78 CO 0.11 -0.01 0.54 0.12 0.23 0.00 0.00 176.35 177.35 3bv4 s PHE 79 N -2.42 3.46 0.41 0.29 5.36 -1.26 -1.41 117.98 122.41 3bv4 s PHE 79 Ca 0.31 0.74 0.16 0.00 -0.96 0.00 0.00 56.93 57.18 3bv4 s PHE 79 Cb -0.05 -2.17 1.04 0.00 -0.34 0.00 0.00 43.02 41.50 3bv4 s PHE 79 CO 0.18 0.22 1.88 1.12 -1.46 0.00 0.00 175.22 177.16 3bv4 h HIS 80 N 2.11 0.56 -0.22 10.12 2.07 -1.94 -1.78 115.15 126.07 3bv4 h HIS 80 Ca -0.47 0.02 0.04 0.00 -2.85 0.00 0.00 60.37 57.11 3bv4 h HIS 80 Cb 1.18 -0.17 -0.04 0.00 2.57 0.00 0.00 27.41 30.95 3bv4 h HIS 80 CO 0.60 0.18 -0.03 1.49 -3.07 0.00 0.00 177.93 177.09 3bv4 h GLU 81 N 0.45 0.03 -0.05 5.12 4.81 -1.98 -2.47 114.58 120.49 3bv4 h GLU 81 Ca 0.43 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.61 3bv4 h GLU 81 Cb 1.01 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 3bv4 h GLU 81 CO -0.16 0.02 -0.21 1.15 -0.73 0.00 0.00 179.01 179.08 3bv4 h THR 82 N 0.03 1.18 0.00 0.32 2.02 -1.73 -2.35 112.91 112.39 3bv4 h THR 82 Ca 0.11 -0.83 -0.01 0.00 0.77 0.00 0.00 66.41 66.44 3bv4 h THR 82 Cb 0.15 1.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.94 3bv4 h THR 82 CO -0.20 0.25 -0.06 0.25 0.37 0.00 0.00 175.52 176.12 3bv4 h LEU 83 N 0.07 0.00 -2.78 2.58 5.85 -1.14 -2.35 115.31 117.55 3bv4 h LEU 83 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3bv4 h LEU 83 Cb 0.42 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.45 3bv4 h LEU 83 CO 0.03 0.06 0.00 -1.22 -0.34 0.00 0.00 178.44 176.97 3bv4 n TYR 84 N -3.89 0.67 -3.21 1.25 4.01 -0.89 -4.60 117.16 110.50 3bv4 n TYR 84 Ca -0.03 -0.48 -0.21 0.00 -0.16 0.00 0.00 57.90 57.03 3bv4 n TYR 84 Cb 0.15 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 3bv4 n TYR 84 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3bv4 s GLN 85 N -1.02 3.07 0.14 -0.72 -0.21 -0.88 -4.99 119.66 115.05 3bv4 s GLN 85 Ca 0.34 -0.75 0.08 0.00 0.02 0.00 0.00 55.36 55.06 3bv4 s GLN 85 Cb 0.18 -2.68 -0.04 0.00 1.00 0.00 0.00 33.01 31.47 3bv4 s GLN 85 CO 0.24 -0.13 -0.18 0.15 -2.12 0.00 0.00 175.29 173.26 3bv4 s LYS 86 N -4.38 1.18 0.85 2.91 1.02 -1.26 -1.53 119.74 118.53 3bv4 s LYS 86 Ca 0.47 -1.32 -0.12 0.00 0.02 0.00 0.00 55.97 55.02 3bv4 s LYS 86 Cb -0.10 -1.23 0.10 0.00 -0.52 0.00 0.00 37.83 36.09 3bv4 s LYS 86 CO 0.35 0.25 1.18 0.00 -0.92 0.00 0.00 175.35 176.21 3bv4 s ALA 87 N -1.91 2.38 0.57 5.17 0.00 0.41 -4.88 121.76 123.49 3bv4 s ALA 87 Ca 0.12 -0.66 0.26 0.00 0.00 0.00 0.00 51.96 51.68 3bv4 s ALA 87 Cb -0.06 -2.97 1.57 0.00 0.00 0.00 0.00 23.12 21.66 3bv4 s ALA 87 CO 0.05 -1.90 2.12 -0.44 0.00 0.00 0.00 175.76 175.59 3bv4 h ASP 88 N -1.22 0.00 -0.25 0.00 3.32 -1.98 -0.46 116.42 115.83 3bv4 h ASP 88 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 3bv4 h ASP 88 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 3bv4 h ASP 88 CO 0.63 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.25 3bv4 n ASP 89 N -4.05 1.33 0.00 6.45 5.75 -1.26 -4.89 116.55 119.88 3bv4 n ASP 89 Ca 0.01 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.79 3bv4 n ASP 89 Cb 0.27 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 3bv4 n ASP 89 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3bv4 n GLY 90 N 0.88 1.66 3.71 6.12 0.00 -0.18 -5.03 105.19 112.35 3bv4 n GLY 90 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3bv4 n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bv4 s ARG 91 N -0.33 4.47 0.54 1.61 0.52 -1.26 -4.71 118.95 119.80 3bv4 s ARG 91 Ca 0.00 1.58 -0.22 0.00 -0.52 0.00 0.00 55.73 56.57 3bv4 s ARG 91 Cb 0.00 -3.44 -0.05 0.00 0.52 0.00 0.00 34.95 31.98 3bv4 s ARG 91 CO 0.00 -0.20 1.38 -2.14 0.02 0.00 0.00 175.30 174.36 3bv4 s PRO 92 N 1.28 3.16 0.39 3.54 0.02 -1.26 -0.45 135.00 141.68 3bv4 s PRO 92 Ca 0.55 2.28 0.10 0.00 0.02 0.00 0.00 61.00 63.95 3bv4 s PRO 92 Cb -0.24 -2.29 0.87 0.00 0.02 0.00 0.00 34.50 32.86 3bv4 s PRO 92 CO 0.27 -1.19 1.94 0.74 -0.33 0.00 0.00 177.00 178.42 3bv4 h PHE 93 N 1.51 0.65 -0.56 6.54 0.04 -1.52 -0.27 116.94 123.33 3bv4 h PHE 93 Ca -0.51 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.28 3bv4 h PHE 93 Cb 1.30 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 39.21 3bv4 h PHE 93 CO 0.46 0.30 0.36 -1.35 -0.60 0.00 0.00 178.31 177.48 3bv4 h PRO 94 N 0.61 0.75 -0.50 1.51 0.11 -1.85 -1.24 132.00 131.38 3bv4 h PRO 94 Ca 0.34 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.32 3bv4 h PRO 94 Cb 0.51 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 3bv4 h PRO 94 CO -0.12 0.51 0.01 0.37 -0.21 0.00 0.00 178.00 178.56 3bv4 h GLN 95 N 0.77 0.88 -0.52 1.05 4.15 -1.41 -1.56 115.11 118.46 3bv4 h GLN 95 Ca 0.20 -0.27 0.03 0.00 0.77 0.00 0.00 58.65 59.38 3bv4 h GLN 95 Cb -0.06 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.51 3bv4 h GLN 95 CO -0.04 0.90 0.29 0.28 -1.93 0.00 0.00 178.83 178.34 3bv4 h VAL 96 N 0.74 1.02 -0.09 2.39 2.07 -0.78 -0.61 116.25 120.98 3bv4 h VAL 96 Ca 0.14 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 3bv4 h VAL 96 Cb 0.50 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3bv4 h VAL 96 CO 0.02 0.11 0.04 0.40 0.02 0.00 0.00 177.57 178.16 3bv4 h ILE 97 N 0.58 1.13 -0.20 4.57 2.04 -1.08 -3.08 117.51 121.48 3bv4 h ILE 97 Ca 0.22 -0.39 -0.06 0.00 1.00 0.00 0.00 64.86 65.63 3bv4 h ILE 97 Cb 0.07 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 3bv4 h ILE 97 CO -0.12 0.11 -0.14 0.11 0.00 0.00 0.00 178.15 178.11 3bv4 h LYS 98 N 0.00 0.32 0.00 2.37 1.57 -1.07 -1.76 116.57 118.00 3bv4 h LYS 98 Ca 0.03 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3bv4 h LYS 98 Cb 0.15 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3bv4 h LYS 98 CO -0.00 0.47 0.00 0.43 -0.57 0.00 0.00 179.45 179.78 3bv4 n SER 99 N -4.23 0.08 -0.92 0.86 7.64 -0.26 -1.51 113.62 115.27 3bv4 n SER 99 Ca -0.00 0.52 0.07 0.00 1.01 0.00 0.00 58.87 60.47 3bv4 n SER 99 Cb 0.30 -0.54 0.23 0.00 -1.01 0.00 0.00 64.21 63.19 3bv4 n SER 99 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3bv4 n LYS 100 N -1.59 3.02 -0.74 1.43 5.02 -0.86 -4.96 118.16 119.49 3bv4 n LYS 100 Ca 0.03 -2.42 0.00 0.00 -2.02 0.00 0.00 58.31 53.90 3bv4 n LYS 100 Cb 0.18 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 3bv4 n LYS 100 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bv4 n GLY 101 N 0.51 0.74 3.91 0.72 0.00 -0.57 -4.60 105.19 105.90 3bv4 n GLY 101 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 3bv4 n GLY 101 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3bv4 s GLY 102 N -1.88 1.72 -0.06 -0.02 0.00 -0.72 -4.84 107.32 101.52 3bv4 s GLY 102 Ca 0.00 -0.64 -0.11 0.00 0.00 0.00 0.00 44.72 43.97 3bv4 s GLY 102 CO 0.00 -0.54 0.28 0.14 0.00 0.00 0.00 173.10 172.98 3bv4 s VAL 103 N -2.17 5.26 -0.10 1.40 1.01 -0.23 -3.68 120.40 121.88 3bv4 s VAL 103 Ca 0.43 0.54 -0.21 0.00 0.00 0.00 0.00 61.98 62.74 3bv4 s VAL 103 Cb -0.10 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 3bv4 s VAL 103 CO 0.32 0.60 0.61 -0.69 0.00 0.00 0.00 175.10 175.94 3bv4 s VAL 104 N -1.05 5.10 0.25 2.92 1.01 -1.26 -1.48 120.40 125.88 3bv4 s VAL 104 Ca 0.20 1.23 0.11 0.00 0.00 0.00 0.00 61.98 63.51 3bv4 s VAL 104 Cb -0.14 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 3bv4 s VAL 104 CO 0.09 0.26 -0.14 -0.83 0.00 0.00 0.00 175.10 174.48 3bv4 s GLY 105 N 0.78 1.77 -0.03 4.51 0.00 0.56 -0.67 107.32 114.24 3bv4 s GLY 105 Ca 0.32 -1.72 -0.00 0.00 0.00 0.00 0.00 44.72 43.32 3bv4 s GLY 105 CO 0.14 -1.78 0.02 -1.50 0.00 0.00 0.00 173.10 169.98 3bv4 s ILE 106 N -2.20 0.07 0.09 0.90 1.10 -0.32 -0.68 121.20 120.17 3bv4 s ILE 106 Ca 0.28 0.18 -0.31 0.00 -0.51 0.00 0.00 60.65 60.29 3bv4 s ILE 106 Cb -0.06 -0.21 -0.06 0.00 0.15 0.00 0.00 42.46 42.27 3bv4 s ILE 106 CO 0.15 0.14 1.23 -0.75 -2.11 0.00 0.00 174.94 173.60 3bv4 s LYS 107 N 1.25 4.42 0.00 3.50 2.20 -0.50 -2.12 119.74 128.50 3bv4 s LYS 107 Ca -0.07 1.83 0.02 0.00 -0.36 0.00 0.00 55.97 57.39 3bv4 s LYS 107 Cb -0.13 -3.32 0.01 0.00 -1.51 0.00 0.00 37.83 32.88 3bv4 s LYS 107 CO -0.02 -0.26 0.46 1.33 -0.36 0.00 0.00 175.35 176.49 3bv4 n VAL 108 N 3.74 0.00 -2.22 4.02 0.24 -0.65 -4.62 118.33 118.83 3bv4 n VAL 108 Ca 0.09 -0.49 -0.29 0.00 -2.04 0.00 0.00 64.34 61.61 3bv4 n VAL 108 Cb 0.45 1.03 0.01 0.00 -1.47 0.00 0.00 33.84 33.87 3bv4 n VAL 108 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 3bv4 s ASP 109 N -0.35 6.03 -0.31 -1.34 1.47 -1.25 -4.88 116.67 116.05 3bv4 s ASP 109 Ca 0.02 1.09 0.08 0.00 1.18 0.00 0.00 52.55 54.92 3bv4 s ASP 109 Cb 0.01 -2.19 0.47 0.00 -0.34 0.00 0.00 42.92 40.87 3bv4 s ASP 109 CO 0.03 -0.86 1.37 0.29 0.68 0.00 0.00 175.17 176.68 3bv4 n LYS 110 N -2.59 2.44 0.00 2.11 5.02 0.31 -4.98 118.16 120.47 3bv4 n LYS 110 Ca 0.04 -3.55 0.00 0.00 -2.02 0.00 0.00 58.31 52.78 3bv4 n LYS 110 Cb 0.55 -1.97 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 3bv4 n LYS 110 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bv4 n GLY 111 N -0.97 0.74 3.85 0.72 0.00 -1.26 -4.73 105.19 103.54 3bv4 n GLY 111 Ca 0.36 -1.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.23 3bv4 n GLY 111 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3bv4 s VAL 112 N -2.62 4.83 0.05 1.61 -7.23 -1.26 -1.58 120.40 114.20 3bv4 s VAL 112 Ca 0.00 0.76 -0.01 0.00 -1.81 0.00 0.00 61.98 60.92 3bv4 s VAL 112 Cb 0.00 -3.69 -0.04 0.00 0.56 0.00 0.00 36.38 33.22 3bv4 s VAL 112 CO 0.00 0.07 -0.03 0.68 -0.31 0.00 0.00 175.10 175.51 3bv4 s VAL 113 N -1.67 0.21 0.43 1.32 -7.23 -0.19 -4.92 120.40 108.35 3bv4 s VAL 113 Ca 0.44 -1.71 -0.26 0.00 -1.81 0.00 0.00 61.98 58.65 3bv4 s VAL 113 Cb -0.13 -1.39 -0.08 0.00 0.56 0.00 0.00 36.38 35.34 3bv4 s VAL 113 CO 0.20 -0.94 1.38 -2.84 -0.31 0.00 0.00 175.10 172.59 3bv4 s PRO 114 N -3.67 3.79 -0.45 4.82 0.02 -1.26 -0.93 135.00 137.33 3bv4 s PRO 114 Ca 0.05 2.33 -0.16 0.00 0.02 0.00 0.00 61.00 63.24 3bv4 s PRO 114 Cb 0.06 -2.70 0.05 0.00 0.02 0.00 0.00 34.50 31.93 3bv4 s PRO 114 CO -0.09 -0.70 0.37 -1.17 -0.33 0.00 0.00 177.00 175.08 3bv4 s LEU 115 N -2.61 5.37 0.17 -5.54 0.20 -0.23 -4.63 118.68 111.41 3bv4 s LEU 115 Ca 0.59 -1.12 -0.33 0.00 0.69 0.00 0.00 54.13 53.97 3bv4 s LEU 115 Cb -0.42 -2.20 -0.16 0.00 -0.43 0.00 0.00 46.19 42.99 3bv4 s LEU 115 CO 0.54 -0.58 1.12 0.00 -0.29 0.00 0.00 176.35 177.14 3bv4 n ALA 116 N 5.25 -1.02 0.00 5.97 0.00 -1.26 -2.34 120.51 127.10 3bv4 n ALA 116 Ca -0.11 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.79 3bv4 n ALA 116 Cb 0.45 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.91 3bv4 n ALA 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bv4 n GLY 117 N 1.96 2.30 3.97 0.00 0.00 -1.26 -5.04 105.19 107.12 3bv4 n GLY 117 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 3bv4 n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3bv4 s THR 118 N -2.28 2.42 -1.13 2.61 -4.23 -0.99 -5.01 115.64 107.03 3bv4 s THR 118 Ca 0.00 -0.57 -0.13 0.00 -1.18 0.00 0.00 61.69 59.81 3bv4 s THR 118 Cb 0.00 -2.85 0.20 0.00 1.34 0.00 0.00 72.50 71.19 3bv4 s THR 118 CO 0.00 0.00 1.28 0.21 -0.54 0.00 0.00 174.62 175.57 3bv4 s ASN 119 N -4.55 7.08 -0.97 3.99 3.04 -1.26 -4.48 114.94 117.79 3bv4 s ASN 119 Ca 0.61 -3.05 0.00 0.00 0.04 0.00 0.00 52.86 50.46 3bv4 s ASN 119 Cb -0.09 -2.34 0.00 0.00 -1.54 0.00 0.00 41.25 37.29 3bv4 s ASN 119 CO 0.41 -0.64 0.00 0.61 -3.04 0.00 0.00 177.10 174.44 3bv4 n GLY 120 N 3.85 1.03 3.92 1.21 0.00 -1.26 -5.00 105.19 108.94 3bv4 n GLY 120 Ca 0.31 -0.31 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3bv4 n GLY 120 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bv4 s GLU 121 N -2.55 3.25 0.32 1.61 2.02 -1.26 -4.98 118.70 117.10 3bv4 s GLU 121 Ca 0.00 0.04 0.03 0.00 0.02 0.00 0.00 54.97 55.07 3bv4 s GLU 121 Cb 0.00 -2.36 -0.06 0.00 0.10 0.00 0.00 34.13 31.81 3bv4 s GLU 121 CO 0.00 -0.40 0.07 0.95 0.02 0.00 0.00 175.26 175.90 3bv4 s THR 122 N -2.82 1.03 0.35 3.63 -4.23 -1.26 -1.06 115.64 111.28 3bv4 s THR 122 Ca 0.50 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 59.08 3bv4 s THR 122 Cb -0.10 -2.74 -0.03 0.00 1.34 0.00 0.00 72.50 70.97 3bv4 s THR 122 CO 0.44 0.00 0.25 0.28 -0.54 0.00 0.00 174.62 175.06 3bv4 s THR 123 N -3.39 0.10 -0.03 3.99 -1.32 -0.10 -4.70 115.64 110.19 3bv4 s THR 123 Ca 0.36 -2.00 0.05 0.00 -1.21 0.00 0.00 61.69 58.89 3bv4 s THR 123 Cb 0.08 -2.46 -0.01 0.00 -1.51 0.00 0.00 72.50 68.61 3bv4 s THR 123 CO 0.15 0.00 -0.17 -0.89 -2.21 0.00 0.00 174.62 171.50 3bv4 s THR 124 N -3.39 1.43 0.29 5.08 2.01 -1.26 -1.03 115.64 118.77 3bv4 s THR 124 Ca 0.37 -0.74 0.04 0.00 0.31 0.00 0.00 61.69 61.68 3bv4 s THR 124 Cb 0.02 -1.22 -0.02 0.00 0.01 0.00 0.00 72.50 71.29 3bv4 s THR 124 CO 0.25 0.41 0.43 0.00 -0.69 0.00 0.00 174.62 175.02 3bv4 s GLN 125 N -0.12 3.36 0.00 4.92 -2.07 -0.61 -4.80 119.66 120.35 3bv4 s GLN 125 Ca -0.00 -0.73 0.00 0.00 -1.82 0.00 0.00 55.36 52.81 3bv4 s GLN 125 Cb -0.10 -2.82 0.00 0.00 -1.09 0.00 0.00 33.01 29.00 3bv4 s GLN 125 CO 0.01 0.28 0.00 0.41 -1.32 0.00 0.00 175.29 174.67 3bv4 n GLY 126 N -1.55 0.27 0.22 2.60 0.00 -1.26 -0.53 105.19 104.93 3bv4 n GLY 126 Ca -0.06 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.02 3bv4 n GLY 126 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3bv4 h LEU 127 N 0.00 0.00 -9.27 0.99 3.38 -1.90 -3.35 115.31 105.16 3bv4 h LEU 127 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 3bv4 h LEU 127 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3bv4 h LEU 127 CO 0.00 0.24 1.08 -0.69 0.09 0.00 0.00 178.44 179.15 3bv4 s VAL 128 N -4.33 3.59 0.00 1.22 1.01 -1.26 -1.97 120.40 118.66 3bv4 s VAL 128 Ca -0.03 0.72 0.00 0.00 0.00 0.00 0.00 61.98 62.67 3bv4 s VAL 128 Cb 0.14 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 33.06 3bv4 s VAL 128 CO 0.68 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.32 3bv4 n GLY 129 N 4.11 0.85 0.33 4.51 0.00 -1.26 -4.93 105.19 108.80 3bv4 n GLY 129 Ca 0.17 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.20 3bv4 n GLY 129 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3bv4 h LEU 130 N 0.00 0.90 -0.61 0.99 5.85 -1.54 -1.42 115.31 119.48 3bv4 h LEU 130 Ca 0.00 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 3bv4 h LEU 130 Cb 0.00 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 3bv4 h LEU 130 CO 0.00 0.59 0.35 -1.28 -0.34 0.00 0.00 178.44 177.76 3bv4 h SER 131 N 1.04 0.75 -0.49 1.25 0.87 -1.92 -0.08 113.55 114.97 3bv4 h SER 131 Ca 0.38 -0.08 -0.06 0.00 -1.23 0.00 0.00 61.79 60.80 3bv4 h SER 131 Cb 0.13 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 3bv4 h SER 131 CO -0.16 0.61 0.06 -0.08 -0.53 0.00 0.00 176.83 176.73 3bv4 h GLU 132 N 0.83 0.82 -0.62 2.24 4.81 -1.85 -2.19 114.58 118.62 3bv4 h GLU 132 Ca 0.22 -0.23 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 3bv4 h GLU 132 Cb 0.01 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 3bv4 h GLU 132 CO -0.04 0.83 0.27 0.00 -0.73 0.00 0.00 179.01 179.35 3bv4 h ARG 133 N 0.70 0.91 -0.37 1.92 3.08 -0.93 -1.65 114.38 118.03 3bv4 h ARG 133 Ca 0.15 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3bv4 h ARG 133 Cb 0.42 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 3bv4 h ARG 133 CO 0.01 0.75 0.24 0.00 -1.07 0.00 0.00 179.97 179.90 3bv4 h ALA 135 N 1.12 0.80 -0.31 0.00 0.00 -1.23 -0.12 119.26 119.52 3bv4 h ALA 135 Ca 0.14 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3bv4 h ALA 135 Cb -0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3bv4 h ALA 135 CO -0.03 0.22 0.04 0.37 0.00 0.00 0.00 179.25 179.86 3bv4 h GLN 136 N 0.85 0.52 -0.43 0.00 5.75 -0.84 -2.04 115.11 118.91 3bv4 h GLN 136 Ca 0.23 -0.14 -0.05 0.00 -0.15 0.00 0.00 58.65 58.54 3bv4 h GLN 136 Cb -0.09 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.38 3bv4 h GLN 136 CO -0.05 0.62 0.04 1.88 -2.65 0.00 0.00 178.83 178.67 3bv4 h TYR 137 N 0.34 0.70 -0.30 3.99 0.05 -0.31 -0.92 116.97 120.52 3bv4 h TYR 137 Ca 0.09 -0.07 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 3bv4 h TYR 137 Cb 0.36 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.89 3bv4 h TYR 137 CO 0.03 0.64 0.14 -0.22 -1.05 0.00 0.00 178.16 177.69 3bv4 h LYS 138 N 0.64 0.43 -0.49 4.88 1.63 -0.83 -0.50 116.57 122.34 3bv4 h LYS 138 Ca 0.14 -0.07 -0.02 0.00 -0.85 0.00 0.00 60.65 59.86 3bv4 h LYS 138 Cb 0.34 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.87 3bv4 h LYS 138 CO 0.01 0.41 0.24 0.87 -3.45 0.00 0.00 179.45 177.53 3bv4 h LYS 139 N 0.34 0.68 -0.71 1.90 1.57 -0.92 -2.62 116.57 116.81 3bv4 h LYS 139 Ca 0.10 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3bv4 h LYS 139 Cb 0.13 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.30 3bv4 h LYS 139 CO -0.01 0.52 0.00 -0.25 -0.57 0.00 0.00 179.45 179.14 3bv4 n ASP 140 N -4.39 2.99 0.00 0.86 8.00 -0.39 -4.91 116.55 118.70 3bv4 n ASP 140 Ca 0.04 -2.35 0.00 0.00 0.71 0.00 0.00 54.79 53.19 3bv4 n ASP 140 Cb 0.12 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.70 3bv4 n ASP 140 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bv4 n GLY 141 N 0.46 0.75 3.79 0.44 0.00 -0.97 -4.95 105.19 104.71 3bv4 n GLY 141 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 3bv4 n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bv4 s ALA 142 N -2.04 3.51 -0.10 4.61 0.00 -0.24 -4.53 121.76 122.97 3bv4 s ALA 142 Ca 0.00 0.18 0.03 0.00 0.00 0.00 0.00 51.96 52.16 3bv4 s ALA 142 Cb 0.00 -2.79 -0.03 0.00 0.00 0.00 0.00 23.12 20.30 3bv4 s ALA 142 CO 0.00 0.32 0.10 -0.25 0.00 0.00 0.00 175.76 175.93 3bv4 n ASP 143 N 1.83 0.68 -4.11 0.00 8.00 0.15 -4.05 116.55 119.05 3bv4 n ASP 143 Ca -0.08 -0.49 -0.09 0.00 0.71 0.00 0.00 54.79 54.84 3bv4 n ASP 143 Cb 0.50 1.02 -0.10 0.00 -0.02 0.00 0.00 41.12 42.52 3bv4 n ASP 143 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3bv4 s PHE 144 N -1.36 0.73 0.25 1.24 -0.71 -1.11 -1.35 117.98 115.68 3bv4 s PHE 144 Ca 0.01 -1.13 0.02 0.00 -1.04 0.00 0.00 56.93 54.78 3bv4 s PHE 144 Cb 0.02 -0.40 -0.04 0.00 -1.21 0.00 0.00 43.02 41.38 3bv4 s PHE 144 CO 0.10 -0.52 0.15 0.00 -1.34 0.00 0.00 175.22 173.62 3bv4 s ALA 145 N -4.01 1.56 -0.03 1.99 0.00 0.23 -1.17 121.76 120.33 3bv4 s ALA 145 Ca 0.20 -1.79 -0.03 0.00 0.00 0.00 0.00 51.96 50.33 3bv4 s ALA 145 Cb 0.07 1.29 0.01 0.00 0.00 0.00 0.00 23.12 24.48 3bv4 s ALA 145 CO -0.01 -0.56 0.08 0.21 0.00 0.00 0.00 175.76 175.48 3bv4 s LYS 146 N -3.95 0.12 -0.04 0.00 2.20 -0.90 -0.89 119.74 116.28 3bv4 s LYS 146 Ca 0.38 0.07 -0.00 0.00 -0.36 0.00 0.00 55.97 56.06 3bv4 s LYS 146 Cb 0.06 0.05 0.03 0.00 -1.51 0.00 0.00 37.83 36.46 3bv4 s LYS 146 CO 0.16 -0.02 0.01 -0.46 -0.36 0.00 0.00 175.35 174.68 3bv4 s TRP 147 N -0.06 0.33 -0.17 4.03 -0.11 -1.17 -1.64 118.94 120.16 3bv4 s TRP 147 Ca -0.01 0.01 -0.03 0.00 1.22 0.00 0.00 56.10 57.29 3bv4 s TRP 147 Cb -0.01 -0.48 -0.02 0.00 -1.50 0.00 0.00 33.47 31.46 3bv4 s TRP 147 CO 0.00 -0.17 -0.06 0.50 -4.62 0.00 0.00 176.95 172.60 3bv4 s ARG 148 N 1.34 3.53 0.08 5.86 3.52 -1.26 -2.03 118.95 129.99 3bv4 s ARG 148 Ca -0.05 -0.59 0.08 0.00 -0.13 0.00 0.00 55.73 55.04 3bv4 s ARG 148 Cb -0.13 -2.87 -0.04 0.00 -1.56 0.00 0.00 34.95 30.35 3bv4 s ARG 148 CO -0.02 0.12 -0.18 0.00 -0.81 0.00 0.00 175.30 174.41 3bv4 s VAL 150 N -1.05 1.61 0.08 0.00 1.01 -1.26 -1.09 120.40 119.70 3bv4 s VAL 150 Ca 0.17 -0.78 0.09 0.00 0.00 0.00 0.00 61.98 61.45 3bv4 s VAL 150 Cb -0.11 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 3bv4 s VAL 150 CO 0.08 0.46 -0.23 -0.76 0.00 0.00 0.00 175.10 174.65 3bv4 s LEU 151 N 0.30 2.24 -0.04 3.92 2.01 0.22 -4.55 118.68 122.78 3bv4 s LEU 151 Ca -0.12 -0.62 0.04 0.00 0.01 0.00 0.00 54.13 53.44 3bv4 s LEU 151 Cb -0.15 -1.04 -0.00 0.00 0.01 0.00 0.00 46.19 45.01 3bv4 s LEU 151 CO 0.05 0.15 -0.16 -0.75 1.01 0.00 0.00 176.35 176.64 3bv4 s LYS 152 N -1.57 1.62 -0.13 1.70 2.20 -1.26 -1.35 119.74 120.95 3bv4 s LYS 152 Ca 0.09 -0.58 -0.24 0.00 -0.36 0.00 0.00 55.97 54.88 3bv4 s LYS 152 Cb -0.10 -1.45 -0.03 0.00 -1.51 0.00 0.00 37.83 34.75 3bv4 s LYS 152 CO 0.03 0.26 0.74 0.42 -0.36 0.00 0.00 175.35 176.44 3bv4 s ILE 153 N -0.04 4.98 0.06 5.43 1.01 -1.26 -2.26 121.20 129.12 3bv4 s ILE 153 Ca -0.02 1.47 -0.01 0.00 0.00 0.00 0.00 60.65 62.09 3bv4 s ILE 153 Cb -0.10 -4.06 0.01 0.00 0.01 0.00 0.00 42.46 38.31 3bv4 s ILE 153 CO 0.01 0.14 0.11 0.61 0.00 0.00 0.00 174.94 175.81 3bv4 n GLY 154 N 3.38 2.36 0.40 6.18 0.00 -0.12 -4.75 105.19 112.64 3bv4 n GLY 154 Ca 0.01 -1.22 -0.09 0.00 0.00 0.00 0.00 46.02 44.72 3bv4 n GLY 154 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3bv4 h GLU 155 N 0.00 -0.18 -0.11 1.61 4.39 -2.02 -3.00 114.58 115.27 3bv4 h GLU 155 Ca -0.05 0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.56 3bv4 h GLU 155 Cb 0.21 0.04 -0.12 0.00 -0.10 0.00 0.00 28.75 28.77 3bv4 h GLU 155 CO 0.07 -0.12 -0.64 0.72 -1.16 0.00 0.00 179.01 177.88 3bv4 n HIS 156 N -5.38 0.38 -4.08 4.33 8.25 -1.26 -5.04 115.22 112.42 3bv4 n HIS 156 Ca 0.02 -1.46 -0.12 0.00 -0.26 0.00 0.00 57.72 55.90 3bv4 n HIS 156 Cb 0.34 -0.25 -0.11 0.00 1.12 0.00 0.00 29.99 31.09 3bv4 n HIS 156 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3bv4 s THR 157 N -2.95 0.52 0.32 1.59 -4.23 -1.14 -3.87 115.64 105.88 3bv4 s THR 157 Ca 0.39 -1.28 -0.28 0.00 -1.18 0.00 0.00 61.69 59.33 3bv4 s THR 157 Cb 0.38 -0.85 -0.10 0.00 1.34 0.00 0.00 72.50 73.27 3bv4 s THR 157 CO -0.07 -0.53 1.17 -2.16 -0.54 0.00 0.00 174.62 172.49 3bv4 s PRO 158 N -2.16 4.44 0.78 3.99 0.04 -0.96 -0.94 135.00 140.19 3bv4 s PRO 158 Ca -0.05 1.92 -0.12 0.00 0.04 0.00 0.00 61.00 62.79 3bv4 s PRO 158 Cb -0.06 -3.04 0.06 0.00 0.04 0.00 0.00 34.50 31.50 3bv4 s PRO 158 CO -0.01 -0.01 1.12 -1.54 0.04 0.00 0.00 177.00 176.60 3bv4 s SER 159 N -0.84 4.70 0.25 6.66 1.04 -1.25 -4.88 113.70 119.38 3bv4 s SER 159 Ca 0.48 1.08 -0.04 0.00 0.48 0.00 0.00 55.95 57.95 3bv4 s SER 159 Cb -0.34 -1.76 0.29 0.00 0.10 0.00 0.00 66.02 64.32 3bv4 s SER 159 CO 0.43 -1.81 1.83 0.00 0.98 0.00 0.00 173.24 174.67 3bv4 h ALA 160 N -0.99 1.16 -0.24 5.32 0.00 -2.00 -1.60 119.26 120.93 3bv4 h ALA 160 Ca -0.47 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 3bv4 h ALA 160 Cb 1.29 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3bv4 h ALA 160 CO 0.63 0.61 0.11 1.25 0.00 0.00 0.00 179.25 181.84 3bv4 h LEU 161 N 1.03 0.31 -0.65 0.00 5.85 -1.99 -1.00 115.31 118.87 3bv4 h LEU 161 Ca 0.24 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 3bv4 h LEU 161 Cb 0.19 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3bv4 h LEU 161 CO -0.02 0.36 0.24 0.00 -0.34 0.00 0.00 178.44 178.68 3bv4 h ALA 162 N 0.96 0.84 -0.32 1.25 0.00 -1.87 -0.06 119.26 120.06 3bv4 h ALA 162 Ca 0.08 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3bv4 h ALA 162 Cb 0.14 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3bv4 h ALA 162 CO -0.01 0.48 0.07 0.82 0.00 0.00 0.00 179.25 180.61 3bv4 h ILE 163 N 0.92 1.22 -0.30 0.00 2.04 -1.16 -1.60 117.51 118.63 3bv4 h ILE 163 Ca 0.21 -0.75 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 3bv4 h ILE 163 Cb 0.23 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 3bv4 h ILE 163 CO -0.01 0.25 0.12 -0.03 0.00 0.00 0.00 178.15 178.48 3bv4 h MET 164 N 0.36 0.45 0.11 2.37 4.05 -1.02 -1.13 114.93 120.12 3bv4 h MET 164 Ca 0.10 -0.08 -0.00 0.00 -0.28 0.00 0.00 59.70 59.43 3bv4 h MET 164 Cb 0.30 -0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 31.03 3bv4 h MET 164 CO 0.00 0.47 -0.06 1.49 0.23 0.00 0.00 176.91 179.03 3bv4 h GLU 165 N 0.34 -0.16 -0.43 0.39 4.57 -0.95 -1.41 114.58 116.93 3bv4 h GLU 165 Ca 0.10 0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.19 3bv4 h GLU 165 Cb 0.18 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 3bv4 h GLU 165 CO -0.01 -0.11 -0.13 -0.91 -1.18 0.00 0.00 179.01 176.67 3bv4 h ASN 166 N -0.17 0.79 -0.35 1.04 2.35 -1.26 -1.94 115.58 116.04 3bv4 h ASN 166 Ca -0.01 -0.25 -0.10 0.00 -0.55 0.00 0.00 56.30 55.39 3bv4 h ASN 166 Cb 0.14 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 3bv4 h ASN 166 CO 0.01 0.93 -0.15 0.00 -1.65 0.00 0.00 177.43 176.58 3bv4 h ALA 167 N 1.14 0.92 -0.48 -0.83 0.00 -1.12 -1.97 119.26 116.93 3bv4 h ALA 167 Ca 0.12 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 3bv4 h ALA 167 Cb 0.62 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3bv4 h ALA 167 CO 0.04 0.62 0.06 -0.97 0.00 0.00 0.00 179.25 179.00 3bv4 h ASN 168 N 0.72 0.77 -0.53 0.00 -1.24 -1.05 -1.92 115.58 112.34 3bv4 h ASN 168 Ca 0.11 -0.27 -0.03 0.00 0.71 0.00 0.00 56.30 56.82 3bv4 h ASN 168 Cb 0.65 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.47 3bv4 h ASN 168 CO 0.05 0.85 0.20 0.58 -1.29 0.00 0.00 177.43 177.82 3bv4 h VAL 169 N 0.67 1.22 -0.72 2.57 2.07 -1.21 -1.06 116.25 119.79 3bv4 h VAL 169 Ca 0.14 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 3bv4 h VAL 169 Cb 0.42 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 3bv4 h VAL 169 CO 0.01 0.27 0.40 -0.07 0.02 0.00 0.00 177.57 178.20 3bv4 h LEU 170 N 0.72 0.89 -0.36 2.57 3.38 -1.24 -0.59 115.31 120.69 3bv4 h LEU 170 Ca 0.18 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 3bv4 h LEU 170 Cb 0.21 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3bv4 h LEU 170 CO -0.01 0.71 -0.29 0.00 0.09 0.00 0.00 178.44 178.94 3bv4 h ALA 171 N 1.44 0.51 -0.62 1.53 0.00 -0.96 -0.52 119.26 120.64 3bv4 h ALA 171 Ca 0.26 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 3bv4 h ALA 171 Cb 0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3bv4 h ALA 171 CO -0.04 0.54 0.20 0.00 0.00 0.00 0.00 179.25 179.95 3bv4 h ARG 172 N 0.62 0.96 -0.41 0.00 3.08 -0.80 -1.39 114.38 116.44 3bv4 h ARG 172 Ca 0.06 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 3bv4 h ARG 172 Cb 0.87 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 3bv4 h ARG 172 CO 0.08 0.85 0.19 -0.92 -1.07 0.00 0.00 179.97 179.09 3bv4 h TYR 173 N 0.89 0.59 -0.87 3.04 3.20 -1.02 -2.35 116.97 120.44 3bv4 h TYR 173 Ca 0.20 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.02 3bv4 h TYR 173 Cb 0.28 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.33 3bv4 h TYR 173 CO 0.02 0.49 0.48 0.00 -1.64 0.00 0.00 178.16 177.51 3bv4 h ALA 174 N 1.04 1.12 -0.10 1.82 0.00 -0.82 -1.25 119.26 121.07 3bv4 h ALA 174 Ca 0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3bv4 h ALA 174 Cb 0.13 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3bv4 h ALA 174 CO -0.02 0.62 0.04 1.03 0.00 0.00 0.00 179.25 180.92 3bv4 h SER 175 N 1.22 0.15 -0.98 0.00 0.87 -1.09 -1.98 113.55 111.73 3bv4 h SER 175 Ca 0.31 -0.18 0.02 0.00 -1.23 0.00 0.00 61.79 60.70 3bv4 h SER 175 Cb 0.02 -0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 61.89 3bv4 h SER 175 CO -0.05 0.29 0.65 0.40 -0.53 0.00 0.00 176.83 177.59 3bv4 h ILE 176 N -0.00 1.24 0.23 2.23 2.04 -1.18 -1.58 117.51 120.48 3bv4 h ILE 176 Ca 0.03 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 3bv4 h ILE 176 Cb 0.19 -0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.07 3bv4 h ILE 176 CO -0.00 0.24 -0.11 0.00 0.00 0.00 0.00 178.15 178.28 3bv4 h GLN 178 N -0.32 0.07 0.00 0.00 4.20 -1.04 -0.44 115.11 117.58 3bv4 h GLN 178 Ca -0.03 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 3bv4 h GLN 178 Cb 0.24 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 3bv4 h GLN 178 CO 0.05 0.19 -0.07 1.96 -0.67 0.00 0.00 178.83 180.29 3bv4 h GLN 179 N 0.07 0.00 -0.43 1.46 1.08 -1.09 -2.65 115.11 113.54 3bv4 h GLN 179 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 3bv4 h GLN 179 Cb 0.25 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 3bv4 h GLN 179 CO 0.02 0.07 0.00 0.09 -0.95 0.00 0.00 178.83 178.06 3bv4 n ASN 180 N -3.29 4.01 -0.42 1.46 4.13 -0.29 -4.96 115.26 115.90 3bv4 n ASN 180 Ca -0.01 -2.55 -0.05 0.00 1.68 0.00 0.00 54.58 53.65 3bv4 n ASN 180 Cb 0.26 -0.48 -0.02 0.00 -1.54 0.00 0.00 39.78 38.00 3bv4 n ASN 180 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3bv4 n GLY 181 N 0.37 0.80 3.48 7.41 0.00 -1.00 -4.80 105.19 111.44 3bv4 n GLY 181 Ca 0.20 -0.81 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 3bv4 n GLY 181 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bv4 s ILE 182 N -2.20 3.54 -0.23 -0.61 1.01 -0.52 -4.88 121.20 117.32 3bv4 s ILE 182 Ca 0.00 -0.50 -0.29 0.00 0.00 0.00 0.00 60.65 59.86 3bv4 s ILE 182 Cb 0.00 -2.50 0.01 0.00 0.01 0.00 0.00 42.46 39.97 3bv4 s ILE 182 CO 0.00 0.53 1.09 -0.69 0.00 0.00 0.00 174.94 175.88 3bv4 s VAL 183 N 0.03 4.57 -0.02 2.92 1.01 -0.46 -3.07 120.40 125.39 3bv4 s VAL 183 Ca -0.02 1.89 -0.21 0.00 0.00 0.00 0.00 61.98 63.64 3bv4 s VAL 183 Cb -0.14 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 31.94 3bv4 s VAL 183 CO 0.03 -0.21 0.63 -2.16 0.00 0.00 0.00 175.10 173.39 3bv4 s PRO 184 N 3.33 4.36 -0.28 2.72 0.04 -1.26 -0.60 135.00 143.31 3bv4 s PRO 184 Ca 0.47 0.78 -0.11 0.00 0.04 0.00 0.00 61.00 62.18 3bv4 s PRO 184 Cb -0.16 -3.37 -0.05 0.00 0.04 0.00 0.00 34.50 30.96 3bv4 s PRO 184 CO 0.09 0.28 0.18 0.42 0.04 0.00 0.00 177.00 178.01 3bv4 s ILE 185 N 0.09 5.20 -0.26 0.56 1.01 -0.07 -2.57 121.20 125.17 3bv4 s ILE 185 Ca 0.33 0.11 -0.19 0.00 0.00 0.00 0.00 60.65 60.90 3bv4 s ILE 185 Cb -0.18 -3.49 -0.02 0.00 0.01 0.00 0.00 42.46 38.78 3bv4 s ILE 185 CO 0.17 0.24 0.56 0.54 0.00 0.00 0.00 174.94 176.45 3bv4 s VAL 186 N 1.74 5.04 -0.48 2.92 0.11 -0.66 -3.01 120.40 126.05 3bv4 s VAL 186 Ca 0.07 0.97 0.02 0.00 -2.93 0.00 0.00 61.98 60.10 3bv4 s VAL 186 Cb -0.16 -3.87 0.13 0.00 -1.53 0.00 0.00 36.38 30.95 3bv4 s VAL 186 CO 0.10 0.06 0.24 -0.70 -3.33 0.00 0.00 175.10 171.47 3bv4 s GLU 187 N 2.38 1.98 -1.04 1.54 2.12 -0.86 -0.60 118.70 124.21 3bv4 s GLU 187 Ca 0.23 -2.30 -0.10 0.00 0.36 0.00 0.00 54.97 53.15 3bv4 s GLU 187 Cb -0.16 -3.42 0.26 0.00 0.26 0.00 0.00 34.13 31.08 3bv4 s GLU 187 CO 0.09 -1.07 1.03 -1.25 -0.54 0.00 0.00 175.26 173.52 3bv4 s PRO 188 N 0.27 4.05 0.01 4.30 0.04 -1.24 -0.70 135.00 141.73 3bv4 s PRO 188 Ca 0.14 -3.02 -0.30 0.00 0.04 0.00 0.00 61.00 57.86 3bv4 s PRO 188 Cb -0.22 -4.53 -0.04 0.00 0.04 0.00 0.00 34.50 29.75 3bv4 s PRO 188 CO -0.03 -1.26 1.06 -2.00 0.04 0.00 0.00 177.00 174.80 3bv4 s GLU 189 N -0.87 4.51 -0.33 4.56 2.12 -0.25 -4.56 118.70 123.88 3bv4 s GLU 189 Ca 0.28 1.53 -0.09 0.00 0.36 0.00 0.00 54.97 57.05 3bv4 s GLU 189 Cb -0.10 -3.43 0.01 0.00 0.26 0.00 0.00 34.13 30.87 3bv4 s GLU 189 CO -0.08 -0.14 0.15 0.42 -0.54 0.00 0.00 175.26 175.07 3bv4 s ILE 190 N 1.12 4.39 0.60 -3.70 1.01 -1.26 -0.61 121.20 122.75 3bv4 s ILE 190 Ca 0.54 -0.67 -0.20 0.00 0.00 0.00 0.00 60.65 60.33 3bv4 s ILE 190 Cb -0.24 -3.32 -0.03 0.00 0.01 0.00 0.00 42.46 38.88 3bv4 s ILE 190 CO 0.28 -0.04 1.33 -0.76 0.00 0.00 0.00 174.94 175.75 3bv4 s LEU 191 N 1.55 3.70 0.00 2.97 1.43 -0.46 -4.86 118.68 123.01 3bv4 s LEU 191 Ca 0.03 2.72 0.29 0.00 -1.03 0.00 0.00 54.13 56.13 3bv4 s LEU 191 Cb -0.18 -4.45 1.17 0.00 0.03 0.00 0.00 46.19 42.76 3bv4 s LEU 191 CO 0.05 -1.83 1.87 -0.81 0.23 0.00 0.00 176.35 175.86 3bv4 n PRO 192 N -1.50 0.11 -1.63 1.29 -0.04 -1.26 -4.56 135.00 127.41 3bv4 n PRO 192 Ca 0.13 -0.02 -0.44 0.00 -0.04 0.00 0.00 63.50 63.13 3bv4 n PRO 192 Cb 0.46 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.41 3bv4 n PRO 192 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3bv4 n ASP 193 N -1.43 1.91 0.00 3.54 9.92 -1.26 -0.08 116.55 129.15 3bv4 n ASP 193 Ca 0.08 1.18 0.00 0.00 -0.53 0.00 0.00 54.79 55.53 3bv4 n ASP 193 Cb 0.32 -1.36 0.00 0.00 -0.64 0.00 0.00 41.12 39.44 3bv4 n ASP 193 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3bv4 n GLY 194 N 1.22 2.42 1.76 0.44 0.00 -1.26 -4.58 105.19 105.19 3bv4 n GLY 194 Ca 0.09 -2.07 0.07 0.00 0.00 0.00 0.00 46.02 44.10 3bv4 n GLY 194 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3bv4 n ASP 195 N 0.00 5.49 -4.77 1.61 5.75 -1.26 -1.19 116.55 122.18 3bv4 n ASP 195 Ca 0.00 -2.96 -0.33 0.00 -0.01 0.00 0.00 54.79 51.49 3bv4 n ASP 195 Cb 0.00 -0.67 0.05 0.00 -1.03 0.00 0.00 41.12 39.47 3bv4 n ASP 195 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 3bv4 s HIS 196 N -2.79 2.56 0.77 2.11 -3.43 -1.26 -4.37 115.29 108.87 3bv4 s HIS 196 Ca 0.53 1.56 -0.05 0.00 -0.80 0.00 0.00 55.06 56.30 3bv4 s HIS 196 Cb 0.41 -3.20 0.16 0.00 -1.43 0.00 0.00 32.58 28.52 3bv4 s HIS 196 CO 0.15 -1.78 1.05 -0.40 -2.00 0.00 0.00 174.74 171.75 3bv4 n ASP 197 N -2.43 0.97 -0.12 7.38 5.68 -1.26 0.15 116.55 126.93 3bv4 n ASP 197 Ca 0.11 -1.92 -0.09 0.00 -0.50 0.00 0.00 54.79 52.39 3bv4 n ASP 197 Cb 0.52 -0.72 -0.01 0.00 -1.14 0.00 0.00 41.12 39.77 3bv4 n ASP 197 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3bv4 h LEU 198 N 0.00 0.46 -1.31 -2.12 5.85 -1.92 -2.59 115.31 113.68 3bv4 h LEU 198 Ca -0.34 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.25 3bv4 h LEU 198 Cb 1.17 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 3bv4 h LEU 198 CO 0.33 0.40 -0.04 0.11 -0.34 0.00 0.00 178.44 178.90 3bv4 h LYS 199 N 0.48 0.42 -0.41 1.25 1.79 -1.95 -0.70 116.57 117.44 3bv4 h LYS 199 Ca 0.13 -0.09 -0.04 0.00 -2.18 0.00 0.00 60.65 58.48 3bv4 h LYS 199 Cb 0.04 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.61 3bv4 h LYS 199 CO -0.02 0.48 0.12 -0.09 -1.08 0.00 0.00 179.45 178.85 3bv4 h ARG 200 N 0.40 0.64 -0.69 3.15 9.65 -1.90 0.02 114.38 125.65 3bv4 h ARG 200 Ca 0.09 -0.14 -0.05 0.00 -1.10 0.00 0.00 59.98 58.77 3bv4 h ARG 200 Cb 0.33 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 28.79 3bv4 h ARG 200 CO 0.01 0.65 0.23 0.00 2.80 0.00 0.00 179.97 183.66 3bv4 h GLN 202 N 1.01 0.57 -0.11 0.00 4.15 -0.82 0.59 115.11 120.50 3bv4 h GLN 202 Ca 0.22 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.57 3bv4 h GLN 202 Cb 0.28 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 3bv4 h GLN 202 CO -0.01 0.49 0.06 -0.92 -1.93 0.00 0.00 178.83 176.53 3bv4 h TYR 203 N 0.50 0.12 -0.69 3.99 3.20 -0.77 -0.76 116.97 122.58 3bv4 h TYR 203 Ca 0.14 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.94 3bv4 h TYR 203 Cb 0.11 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 3bv4 h TYR 203 CO -0.02 0.08 0.16 0.28 -1.64 0.00 0.00 178.16 177.02 3bv4 h VAL 204 N 0.13 1.26 -0.63 1.81 2.07 -1.10 -1.27 116.25 118.52 3bv4 h VAL 204 Ca 0.04 -0.97 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 3bv4 h VAL 204 Cb -0.01 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 3bv4 h VAL 204 CO -0.01 0.37 0.32 0.74 0.02 0.00 0.00 177.57 179.00 3bv4 h THR 205 N 1.04 1.21 -0.80 2.57 2.02 -0.62 -0.15 112.91 118.18 3bv4 h THR 205 Ca 0.22 -0.59 -0.04 0.00 0.77 0.00 0.00 66.41 66.76 3bv4 h THR 205 Cb 0.38 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 67.19 3bv4 h THR 205 CO 0.00 0.24 0.33 -0.33 0.37 0.00 0.00 175.52 176.13 3bv4 h GLU 206 N 0.87 1.19 -0.30 6.66 5.08 -0.82 -0.60 114.58 126.66 3bv4 h GLU 206 Ca 0.22 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 3bv4 h GLU 206 Cb 0.10 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3bv4 h GLU 206 CO -0.03 0.96 0.04 -0.22 -1.00 0.00 0.00 179.01 178.76 3bv4 h LYS 207 N 1.16 0.50 -0.23 2.33 3.64 -0.75 -2.05 116.57 121.17 3bv4 h LYS 207 Ca 0.27 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 3bv4 h LYS 207 Cb 0.21 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 3bv4 h LYS 207 CO -0.02 0.61 0.02 0.28 -2.27 0.00 0.00 179.45 178.07 3bv4 h VAL 208 N 0.32 1.24 -0.40 2.00 2.07 -0.82 -2.52 116.25 118.14 3bv4 h VAL 208 Ca 0.09 -0.81 -0.07 0.00 0.82 0.00 0.00 66.70 66.73 3bv4 h VAL 208 Cb 0.35 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 3bv4 h VAL 208 CO 0.01 0.25 -0.03 -0.07 0.02 0.00 0.00 177.57 177.75 3bv4 h LEU 209 N 0.18 0.63 -0.79 2.57 3.38 -1.12 0.07 115.31 120.24 3bv4 h LEU 209 Ca 0.07 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3bv4 h LEU 209 Cb 0.36 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 3bv4 h LEU 209 CO 0.01 0.72 0.34 0.00 0.09 0.00 0.00 178.44 179.59 3bv4 h ALA 210 N 1.35 1.02 -0.49 1.53 0.00 -1.28 -0.49 119.26 120.89 3bv4 h ALA 210 Ca 0.12 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 3bv4 h ALA 210 Cb 0.43 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3bv4 h ALA 210 CO 0.02 0.62 -0.19 0.00 0.00 0.00 0.00 179.25 179.71 3bv4 h ALA 211 N 1.18 0.74 -0.11 0.00 0.00 -0.96 -2.09 119.26 118.00 3bv4 h ALA 211 Ca 0.27 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3bv4 h ALA 211 Cb 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3bv4 h ALA 211 CO -0.03 0.67 0.06 0.28 0.00 0.00 0.00 179.25 180.24 3bv4 h VAL 212 N 0.85 1.08 0.00 0.00 2.07 -0.46 -1.47 116.25 118.32 3bv4 h VAL 212 Ca 0.12 -0.20 -0.10 0.00 0.82 0.00 0.00 66.70 67.34 3bv4 h VAL 212 Cb 0.76 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 3bv4 h VAL 212 CO 0.06 0.07 -0.45 1.88 0.02 0.00 0.00 177.57 179.15 3bv4 h TYR 213 N 0.10 0.00 -0.42 1.57 0.05 -1.06 -0.47 116.97 116.74 3bv4 h TYR 213 Ca 0.04 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.67 3bv4 h TYR 213 Cb 0.05 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.79 3bv4 h TYR 213 CO -0.05 0.45 -0.32 -0.22 -1.05 0.00 0.00 178.16 176.98 3bv4 h LYS 214 N 0.00 0.96 -0.56 4.88 1.63 -1.25 -1.06 116.57 121.17 3bv4 h LYS 214 Ca -0.00 -0.47 -0.04 0.00 -0.85 0.00 0.00 60.65 59.29 3bv4 h LYS 214 Cb 0.95 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.56 3bv4 h LYS 214 CO 0.06 1.13 0.19 0.00 -3.45 0.00 0.00 179.45 177.38 3bv4 h ALA 215 N 0.81 0.73 -0.54 5.00 0.00 -0.89 -0.12 119.26 124.25 3bv4 h ALA 215 Ca 0.08 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3bv4 h ALA 215 Cb 0.91 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 3bv4 h ALA 215 CO 0.08 0.38 0.16 -0.07 0.00 0.00 0.00 179.25 179.81 3bv4 h LEU 216 N 0.78 0.75 -0.30 0.00 3.38 -0.94 -2.25 115.31 116.72 3bv4 h LEU 216 Ca 0.18 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3bv4 h LEU 216 Cb 0.26 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3bv4 h LEU 216 CO -0.01 0.72 0.08 -1.28 0.09 0.00 0.00 178.44 178.04 3bv4 h SER 217 N 0.79 0.45 -0.21 -0.43 0.87 -0.63 -1.25 113.55 113.14 3bv4 h SER 217 Ca 0.18 -0.22 0.06 0.00 -1.23 0.00 0.00 61.79 60.58 3bv4 h SER 217 Cb 0.24 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 3bv4 h SER 217 CO -0.01 0.56 0.18 0.44 -0.53 0.00 0.00 176.83 177.47 3bv4 h ASP 218 N 0.33 0.00 -0.60 6.23 3.32 -0.57 -0.73 116.42 124.40 3bv4 h ASP 218 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3bv4 h ASP 218 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3bv4 h ASP 218 CO -0.00 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.93 3bv4 n HIS 219 N -4.19 1.36 -3.87 4.55 8.25 -0.89 -4.97 115.22 115.45 3bv4 n HIS 219 Ca 0.02 -0.62 -0.27 0.00 -0.26 0.00 0.00 57.72 56.59 3bv4 n HIS 219 Cb 0.32 -0.23 0.02 0.00 1.12 0.00 0.00 29.99 31.22 3bv4 n HIS 219 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3bv4 n HIS 220 N 0.98 -2.05 -2.55 4.41 -0.00 -0.28 -4.88 115.22 110.84 3bv4 n HIS 220 Ca 0.24 0.86 -0.41 0.00 -0.00 0.00 0.00 57.72 58.41 3bv4 n HIS 220 Cb 0.85 -4.01 -0.04 0.00 -0.00 0.00 0.00 29.99 26.79 3bv4 n HIS 220 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3bv4 s ILE 221 N -3.50 4.15 -0.76 1.59 -1.09 -0.52 -4.96 121.20 116.11 3bv4 s ILE 221 Ca 0.37 1.70 -0.27 0.00 -2.23 0.00 0.00 60.65 60.23 3bv4 s ILE 221 Cb -0.19 -4.09 0.03 0.00 -1.58 0.00 0.00 42.46 36.63 3bv4 s ILE 221 CO 0.84 0.22 1.32 -0.47 -1.23 0.00 0.00 174.94 175.62 3bv4 s TYR 222 N 0.35 2.28 0.44 3.97 5.04 -1.26 -4.86 117.35 123.31 3bv4 s TYR 222 Ca 0.52 -0.09 0.10 0.00 -2.44 0.00 0.00 57.07 55.17 3bv4 s TYR 222 Cb -0.27 -4.61 0.99 0.00 0.35 0.00 0.00 41.96 38.42 3bv4 s TYR 222 CO 0.32 -2.08 2.08 -0.07 -1.34 0.00 0.00 175.55 174.46 3bv4 h LEU 223 N 13.17 0.33 -2.16 6.97 3.38 -1.93 -1.24 115.31 133.83 3bv4 h LEU 223 Ca -0.23 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3bv4 h LEU 223 Cb 1.05 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3bv4 h LEU 223 CO 1.29 0.23 0.00 -0.33 0.09 0.00 0.00 178.44 179.73 3bv4 h GLU 224 N 0.38 0.00 -0.83 1.13 3.07 -1.89 -2.00 114.58 114.45 3bv4 h GLU 224 Ca 0.11 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.46 3bv4 h GLU 224 Cb -0.00 0.00 -0.28 0.00 -0.84 0.00 0.00 28.75 27.63 3bv4 h GLU 224 CO -0.03 0.00 0.38 0.41 -1.40 0.00 0.00 179.01 178.37 3bv4 n GLY 225 N -0.57 5.36 3.23 -3.84 0.00 -0.47 -4.39 105.19 104.50 3bv4 n GLY 225 Ca -0.01 -1.78 -0.10 0.00 0.00 0.00 0.00 46.02 44.13 3bv4 n GLY 225 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3bv4 s THR 226 N -4.03 0.08 0.08 2.61 -4.23 -0.75 -4.00 115.64 105.39 3bv4 s THR 226 Ca 0.56 -1.74 0.02 0.00 -1.18 0.00 0.00 61.69 59.36 3bv4 s THR 226 Cb 0.47 -2.04 -0.04 0.00 1.34 0.00 0.00 72.50 72.24 3bv4 s THR 226 CO 0.03 -0.34 -0.07 -0.76 -0.54 0.00 0.00 174.62 172.94 3bv4 s LEU 227 N -3.03 2.42 -0.08 4.79 1.43 -1.06 -3.46 118.68 119.69 3bv4 s LEU 227 Ca 0.23 -0.85 0.04 0.00 -1.03 0.00 0.00 54.13 52.53 3bv4 s LEU 227 Cb 0.06 -0.10 -0.01 0.00 0.03 0.00 0.00 46.19 46.17 3bv4 s LEU 227 CO 0.03 -0.38 -0.20 -0.22 0.23 0.00 0.00 176.35 175.81 3bv4 s LEU 228 N -2.53 2.34 -0.56 1.79 2.96 -0.45 -1.66 118.68 120.58 3bv4 s LEU 228 Ca 0.04 -0.42 0.04 0.00 -0.22 0.00 0.00 54.13 53.57 3bv4 s LEU 228 Cb -0.00 -1.47 0.14 0.00 0.50 0.00 0.00 46.19 45.36 3bv4 s LEU 228 CO -0.03 0.23 0.31 -0.75 -1.32 0.00 0.00 176.35 174.79 3bv4 s LYS 229 N -0.03 2.04 0.42 1.98 2.20 0.23 -0.00 119.74 126.57 3bv4 s LYS 229 Ca -0.06 -2.75 0.08 0.00 -0.36 0.00 0.00 55.97 52.88 3bv4 s LYS 229 Cb -0.15 -3.27 -0.01 0.00 -1.51 0.00 0.00 37.83 32.90 3bv4 s LYS 229 CO 0.05 -1.16 0.46 -1.25 -0.36 0.00 0.00 175.35 173.09 3bv4 s PRO 230 N -0.52 2.65 0.43 4.03 0.04 -1.26 -3.66 135.00 136.71 3bv4 s PRO 230 Ca 0.19 -1.42 -0.17 0.00 0.04 0.00 0.00 61.00 59.63 3bv4 s PRO 230 Cb -0.21 -2.53 -0.09 0.00 0.04 0.00 0.00 34.50 31.71 3bv4 s PRO 230 CO -0.04 -0.24 0.90 0.54 0.04 0.00 0.00 177.00 178.21 3bv4 s ASN 231 N -4.23 6.77 0.74 6.66 4.22 -1.26 -2.24 114.94 125.61 3bv4 s ASN 231 Ca 0.51 1.52 -0.11 0.00 -2.14 0.00 0.00 52.86 52.64 3bv4 s ASN 231 Cb -0.06 -2.48 0.04 0.00 1.28 0.00 0.00 41.25 40.03 3bv4 s ASN 231 CO 0.30 -0.40 1.08 -0.04 -2.04 0.00 0.00 177.10 176.00 3bv4 s MET 232 N -3.47 2.56 -0.37 3.55 -1.94 -1.26 -4.95 119.30 113.41 3bv4 s MET 232 Ca 0.59 0.73 -0.21 0.00 -1.71 0.00 0.00 55.69 55.08 3bv4 s MET 232 Cb -0.10 -1.97 0.01 0.00 2.01 0.00 0.00 34.83 34.79 3bv4 s MET 232 CO 0.21 -1.31 0.65 0.08 -0.01 0.00 0.00 175.02 174.64 3bv4 s VAL 233 N -3.15 4.87 0.22 -6.03 1.01 -1.26 -5.02 120.40 111.03 3bv4 s VAL 233 Ca 0.59 0.53 0.01 0.00 0.00 0.00 0.00 61.98 63.11 3bv4 s VAL 233 Cb -0.14 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 3bv4 s VAL 233 CO 0.54 -0.37 0.09 0.42 0.00 0.00 0.00 175.10 175.78 3bv4 s THR 234 N 2.76 0.39 0.77 3.92 -4.23 -1.26 -4.55 115.64 113.43 3bv4 s THR 234 Ca 0.25 -1.99 -0.11 0.00 -1.18 0.00 0.00 61.69 58.66 3bv4 s THR 234 Cb -0.14 -2.48 0.05 0.00 1.34 0.00 0.00 72.50 71.27 3bv4 s THR 234 CO 0.16 -0.10 1.08 -2.16 -0.54 0.00 0.00 174.62 173.06 3bv4 s PRO 235 N -4.05 2.31 0.83 3.99 0.04 -1.26 -4.53 135.00 132.32 3bv4 s PRO 235 Ca 0.35 0.90 -0.12 0.00 0.04 0.00 0.00 61.00 62.17 3bv4 s PRO 235 Cb 0.07 -1.92 0.10 0.00 0.04 0.00 0.00 34.50 32.79 3bv4 s PRO 235 CO 0.11 -1.53 1.16 0.20 0.04 0.00 0.00 177.00 176.99 3bv4 s GLY 236 N -3.68 1.93 0.56 0.56 0.00 0.12 -4.88 107.32 101.93 3bv4 s GLY 236 Ca 0.60 0.66 0.29 0.00 0.00 0.00 0.00 44.72 46.28 3bv4 s GLY 236 CO 0.55 1.07 2.16 0.84 0.00 0.00 0.00 173.10 177.72 3bv4 h HIS 237 N -1.20 0.00 -0.24 1.90 2.76 0.04 -1.94 115.15 116.48 3bv4 h HIS 237 Ca -0.45 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 57.69 3bv4 h HIS 237 Cb 1.27 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.22 3bv4 h HIS 237 CO 0.50 0.06 -0.01 0.00 -1.30 0.00 0.00 177.93 177.18 3bv4 n ALA 238 N -2.29 3.12 -1.77 5.26 0.00 -0.34 -4.98 120.51 119.52 3bv4 n ALA 238 Ca -0.02 -2.51 -0.39 0.00 0.00 0.00 0.00 53.44 50.52 3bv4 n ALA 238 Cb 0.17 -0.67 -0.01 0.00 0.00 0.00 0.00 19.45 18.93 3bv4 n ALA 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bv4 n THR 240 N 0.24 0.00 -4.52 0.00 -2.24 -1.26 -4.88 114.28 101.61 3bv4 n THR 240 Ca 0.03 -0.25 -0.32 0.00 -2.27 0.00 0.00 64.05 61.24 3bv4 n THR 240 Cb 0.44 0.59 -0.11 0.00 -2.10 0.00 0.00 70.33 69.16 3bv4 n THR 240 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3bv4 s GLN 241 N -2.10 2.52 0.02 -0.78 -0.21 -1.26 -5.12 119.66 112.73 3bv4 s GLN 241 Ca 0.34 -0.73 -0.07 0.00 0.02 0.00 0.00 55.36 54.92 3bv4 s GLN 241 Cb 0.21 -2.47 -0.05 0.00 1.00 0.00 0.00 33.01 31.70 3bv4 s GLN 241 CO 0.37 0.60 0.30 0.21 -2.12 0.00 0.00 175.29 174.65 3bv4 s LYS 242 N -1.32 3.62 0.02 2.91 2.20 -1.26 -5.01 119.74 120.90 3bv4 s LYS 242 Ca 0.16 -0.02 0.04 0.00 -0.36 0.00 0.00 55.97 55.79 3bv4 s LYS 242 Cb -0.11 -3.06 -0.02 0.00 -1.51 0.00 0.00 37.83 33.13 3bv4 s LYS 242 CO 0.06 0.63 -0.12 0.71 -0.36 0.00 0.00 175.35 176.27 3bv4 s TYR 243 N -1.32 1.02 0.74 4.03 1.51 -1.26 -5.15 117.35 116.92 3bv4 s TYR 243 Ca 0.29 -0.30 -0.11 0.00 -1.01 0.00 0.00 57.07 55.94 3bv4 s TYR 243 Cb -0.13 -0.62 0.04 0.00 -0.11 0.00 0.00 41.96 41.14 3bv4 s TYR 243 CO 0.17 0.00 1.11 -1.54 -1.11 0.00 0.00 175.55 174.17 3bv4 s SER 244 N -0.87 5.04 0.39 2.29 1.04 -1.26 -4.92 113.70 115.42 3bv4 s SER 244 Ca 0.01 0.91 0.13 0.00 0.48 0.00 0.00 55.95 57.48 3bv4 s SER 244 Cb -0.07 -1.59 0.80 0.00 0.10 0.00 0.00 66.02 65.27 3bv4 s SER 244 CO 0.01 -1.56 1.87 0.45 0.98 0.00 0.00 173.24 174.99 3bv4 h HIS 245 N -0.77 0.00 -0.48 5.02 3.86 -1.99 -2.02 115.15 118.77 3bv4 h HIS 245 Ca -0.45 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 58.65 3bv4 h HIS 245 Cb 1.29 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.74 3bv4 h HIS 245 CO 0.41 0.32 -0.11 1.49 0.86 0.00 0.00 177.93 180.90 3bv4 h GLU 246 N 0.00 0.92 -0.52 2.45 4.81 -1.96 -0.19 114.58 120.10 3bv4 h GLU 246 Ca -0.00 -0.35 -0.09 0.00 -0.13 0.00 0.00 59.36 58.78 3bv4 h GLU 246 Cb 0.57 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 3bv4 h GLU 246 CO 0.04 1.01 -0.04 0.93 -0.73 0.00 0.00 179.01 180.23 3bv4 h GLU 247 N 0.77 0.90 -0.41 1.92 5.08 -1.82 -0.10 114.58 120.93 3bv4 h GLU 247 Ca 0.12 -0.28 -0.06 0.00 -1.00 0.00 0.00 59.36 58.14 3bv4 h GLU 247 Cb 0.67 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3bv4 h GLU 247 CO 0.05 0.92 0.01 0.82 -1.00 0.00 0.00 179.01 179.80 3bv4 h ILE 248 N 0.83 1.26 -0.25 3.13 2.04 -1.17 -1.24 117.51 122.10 3bv4 h ILE 248 Ca 0.15 -1.00 -0.02 0.00 1.00 0.00 0.00 64.86 64.99 3bv4 h ILE 248 Cb 0.54 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 3bv4 h ILE 248 CO 0.03 0.34 0.08 0.00 0.00 0.00 0.00 178.15 178.60 3bv4 h ALA 249 N 0.89 0.33 -0.62 1.87 0.00 -0.78 -1.36 119.26 119.60 3bv4 h ALA 249 Ca 0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3bv4 h ALA 249 Cb 0.47 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3bv4 h ALA 249 CO 0.02 -0.04 0.36 1.98 0.00 0.00 0.00 179.25 181.57 3bv4 h MET 250 N 0.24 0.85 -0.71 0.00 1.85 -0.94 -0.20 114.93 116.02 3bv4 h MET 250 Ca 0.08 -0.09 -0.07 0.00 -0.61 0.00 0.00 59.70 59.01 3bv4 h MET 250 Cb 0.25 -0.17 -0.03 0.00 0.43 0.00 0.00 31.60 32.07 3bv4 h MET 250 CO -0.00 0.63 0.18 0.00 -0.40 0.00 0.00 176.91 177.31 3bv4 h ALA 251 N 1.18 0.94 0.18 0.39 0.00 -1.13 -1.07 119.26 119.74 3bv4 h ALA 251 Ca 0.22 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3bv4 h ALA 251 Cb 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3bv4 h ALA 251 CO -0.04 0.66 -0.09 1.15 0.00 0.00 0.00 179.25 180.94 3bv4 h THR 252 N 1.08 0.93 -0.75 0.00 2.02 -0.92 -1.76 112.91 113.51 3bv4 h THR 252 Ca 0.22 -0.72 -0.02 0.00 0.77 0.00 0.00 66.41 66.66 3bv4 h THR 252 Cb 0.37 1.35 -0.04 0.00 -1.74 0.00 0.00 68.15 68.10 3bv4 h THR 252 CO 0.00 0.16 0.37 0.58 0.37 0.00 0.00 175.52 177.00 3bv4 h VAL 253 N -0.61 1.23 -0.40 3.16 2.07 -1.03 -1.90 116.25 118.78 3bv4 h VAL 253 Ca -0.02 -0.64 -0.04 0.00 0.82 0.00 0.00 66.70 66.81 3bv4 h VAL 253 Cb 0.45 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 3bv4 h VAL 253 CO 0.04 0.28 0.09 0.74 0.02 0.00 0.00 177.57 178.73 3bv4 h THR 254 N 1.06 1.23 -0.68 2.57 2.02 -1.20 0.57 112.91 118.49 3bv4 h THR 254 Ca 0.26 -0.82 0.02 0.00 0.77 0.00 0.00 66.41 66.64 3bv4 h THR 254 Cb 0.09 1.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 3bv4 h THR 254 CO -0.03 0.28 0.43 0.00 0.37 0.00 0.00 175.52 176.57 3bv4 h ALA 255 N 0.94 0.88 -0.36 6.16 0.00 -0.95 -1.74 119.26 124.18 3bv4 h ALA 255 Ca 0.12 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3bv4 h ALA 255 Cb 0.34 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3bv4 h ALA 255 CO 0.00 0.21 -0.09 -0.07 0.00 0.00 0.00 179.25 179.30 3bv4 h LEU 256 N 0.85 0.71 -1.99 0.00 3.38 -1.11 -2.90 115.31 114.24 3bv4 h LEU 256 Ca 0.27 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 3bv4 h LEU 256 Cb -0.01 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 3bv4 h LEU 256 CO -0.10 0.91 -0.09 0.03 0.09 0.00 0.00 178.44 179.28 3bv4 h ARG 257 N 0.50 0.00 -0.01 1.13 3.08 -0.59 0.17 114.38 118.67 3bv4 h ARG 257 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3bv4 h ARG 257 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 3bv4 h ARG 257 CO 0.04 0.09 -0.04 0.54 -1.07 0.00 0.00 179.97 179.52 3bv4 n ARG 258 N -4.02 1.24 0.00 0.04 1.74 -0.68 -4.58 116.66 110.40 3bv4 n ARG 258 Ca -0.02 -0.54 0.00 0.00 -0.77 0.00 0.00 57.85 56.52 3bv4 n ARG 258 Cb 0.18 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 3bv4 n ARG 258 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3bv4 n THR 259 N -0.42 0.00 -3.14 0.55 -2.24 -0.79 -5.00 114.28 103.25 3bv4 n THR 259 Ca 0.19 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.55 3bv4 n THR 259 Cb 0.28 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.44 3bv4 n THR 259 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3bv4 s VAL 260 N -0.81 4.89 0.50 2.28 1.01 -0.02 -4.76 120.40 123.49 3bv4 s VAL 260 Ca 0.00 0.30 -0.22 0.00 0.00 0.00 0.00 61.98 62.06 3bv4 s VAL 260 Cb 0.00 -4.11 -0.07 0.00 0.00 0.00 0.00 36.38 32.19 3bv4 s VAL 260 CO 0.00 -0.43 1.17 -2.65 0.00 0.00 0.00 175.10 173.19 3bv4 n PRO 261 N 6.08 1.48 0.19 2.72 -0.02 -1.26 -4.85 135.00 139.34 3bv4 n PRO 261 Ca -0.02 0.54 0.17 0.00 -2.02 0.00 0.00 63.50 62.17 3bv4 n PRO 261 Cb 0.48 -2.32 0.81 0.00 -0.02 0.00 0.00 33.50 32.46 3bv4 n PRO 261 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3bv4 h PRO 262 N 1.38 0.00 0.00 0.52 0.11 -1.96 -1.91 132.00 130.13 3bv4 h PRO 262 Ca -0.48 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 3bv4 h PRO 262 Cb 1.32 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.43 3bv4 h PRO 262 CO 0.56 0.00 -0.09 0.00 -0.21 0.00 0.00 178.00 178.26 3bv4 h ALA 263 N 1.74 1.29 -2.65 -0.75 0.00 -1.89 -3.43 119.26 113.58 3bv4 h ALA 263 Ca 0.10 -0.09 -0.52 0.00 0.00 0.00 0.00 54.91 54.40 3bv4 h ALA 263 Cb 0.55 -0.02 0.05 0.00 0.00 0.00 0.00 17.79 18.38 3bv4 h ALA 263 CO -0.00 0.12 0.96 0.08 0.00 0.00 0.00 179.25 180.41 3bv4 s VAL 264 N -4.22 2.23 0.25 0.00 1.01 -0.72 -3.21 120.40 115.75 3bv4 s VAL 264 Ca -0.03 0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.15 3bv4 s VAL 264 Cb 0.13 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.40 3bv4 s VAL 264 CO 0.57 0.01 1.62 0.74 0.00 0.00 0.00 175.10 178.05 3bv4 h THR 265 N 3.86 1.32 -1.91 3.92 2.02 -1.63 -3.43 112.91 117.06 3bv4 h THR 265 Ca -0.43 -1.66 0.12 0.00 0.77 0.00 0.00 66.41 65.22 3bv4 h THR 265 Cb 1.20 1.72 -0.18 0.00 -1.74 0.00 0.00 68.15 69.15 3bv4 h THR 265 CO 0.94 0.50 0.56 -0.83 0.37 0.00 0.00 175.52 177.06 3bv4 s GLY 266 N -4.18 -0.37 -0.18 2.16 0.00 -1.26 -3.20 107.32 100.28 3bv4 s GLY 266 Ca -0.05 1.46 -0.01 0.00 0.00 0.00 0.00 44.72 46.11 3bv4 s GLY 266 CO 0.80 0.60 -0.13 0.14 0.00 0.00 0.00 173.10 174.51 3bv4 s VAL 267 N -2.32 2.71 -0.47 1.40 1.01 0.31 -1.34 120.40 121.69 3bv4 s VAL 267 Ca 0.03 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.30 3bv4 s VAL 267 Cb -0.01 -2.17 0.12 0.00 0.00 0.00 0.00 36.38 34.32 3bv4 s VAL 267 CO -0.05 0.49 0.22 0.42 0.00 0.00 0.00 175.10 176.18 3bv4 s THR 268 N 1.17 2.73 0.49 3.92 -4.23 0.99 -0.65 115.64 120.07 3bv4 s THR 268 Ca 0.01 -2.86 -0.23 0.00 -1.18 0.00 0.00 61.69 57.43 3bv4 s THR 268 Cb -0.14 -2.90 -0.07 0.00 1.34 0.00 0.00 72.50 70.72 3bv4 s THR 268 CO -0.05 -0.74 1.33 0.49 -0.54 0.00 0.00 174.62 175.10 3bv4 n PHE 269 N 3.64 2.25 -3.44 3.99 3.72 -0.38 -4.19 117.46 123.06 3bv4 n PHE 269 Ca 0.04 0.45 -0.30 0.00 -0.05 0.00 0.00 57.45 57.60 3bv4 n PHE 269 Cb 0.37 -2.38 -0.04 0.00 -0.94 0.00 0.00 39.48 36.49 3bv4 n PHE 269 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 176.76 176.23 3bv4 s LEU 270 N -2.64 4.13 0.11 4.37 0.05 -0.95 -1.14 118.68 122.61 3bv4 s LEU 270 Ca 0.66 0.70 0.23 0.00 0.05 0.00 0.00 54.13 55.77 3bv4 s LEU 270 Cb -0.45 -3.49 -0.03 0.00 -2.05 0.00 0.00 46.19 40.16 3bv4 s LEU 270 CO 0.54 -0.12 0.94 -1.54 -0.55 0.00 0.00 176.35 175.62 3bv4 n SER 271 N -0.60 0.61 0.00 1.48 3.41 -1.26 -4.41 113.62 112.85 3bv4 n SER 271 Ca -0.02 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 3bv4 n SER 271 Cb 0.53 0.83 0.00 0.00 -0.26 0.00 0.00 64.21 65.31 3bv4 n SER 271 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3bv4 n GLY 272 N 1.26 3.94 0.92 5.00 0.00 -1.26 -1.91 105.19 113.13 3bv4 n GLY 272 Ca -0.00 0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.13 3bv4 n GLY 272 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bv4 n GLY 273 N 0.00 2.05 3.75 -0.02 0.00 -1.26 -4.96 105.19 104.76 3bv4 n GLY 273 Ca 0.00 -0.56 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 3bv4 n GLY 273 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bv4 s GLN 274 N -1.11 3.07 0.87 1.61 -0.21 -0.80 -5.01 119.66 118.09 3bv4 s GLN 274 Ca 0.32 1.87 -0.12 0.00 0.02 0.00 0.00 55.36 57.45 3bv4 s GLN 274 Cb 0.18 -2.02 0.11 0.00 1.00 0.00 0.00 33.01 32.29 3bv4 s GLN 274 CO 0.24 -1.14 1.10 -1.54 -2.12 0.00 0.00 175.29 171.84 3bv4 s SER 275 N -1.49 3.77 0.14 5.90 1.04 -1.26 -4.75 113.70 117.04 3bv4 s SER 275 Ca 0.75 1.28 -0.20 0.00 0.48 0.00 0.00 55.95 58.27 3bv4 s SER 275 Cb -0.31 -1.97 0.01 0.00 0.10 0.00 0.00 66.02 63.85 3bv4 s SER 275 CO 0.35 -2.43 1.68 -0.33 0.98 0.00 0.00 173.24 173.50 3bv4 h GLU 276 N -1.40 -0.04 -0.45 4.02 5.08 -1.88 -1.13 114.58 118.77 3bv4 h GLU 276 Ca -0.49 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.74 3bv4 h GLU 276 Cb 1.29 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 3bv4 h GLU 276 CO 0.58 -0.03 -0.23 1.49 -1.00 0.00 0.00 179.01 179.82 3bv4 h GLU 277 N -0.05 0.94 -0.58 2.33 4.57 -1.92 -2.74 114.58 117.12 3bv4 h GLU 277 Ca 0.12 -0.40 0.02 0.00 -1.18 0.00 0.00 59.36 57.92 3bv4 h GLU 277 Cb 0.23 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.76 3bv4 h GLU 277 CO -0.28 1.07 0.36 1.49 -1.18 0.00 0.00 179.01 180.47 3bv4 h GLU 278 N 0.81 0.69 -0.54 1.92 4.57 -1.85 0.10 114.58 120.28 3bv4 h GLU 278 Ca 0.10 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.21 3bv4 h GLU 278 Cb 0.80 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 29.21 3bv4 h GLU 278 CO 0.07 0.46 0.20 0.00 -1.18 0.00 0.00 179.01 178.55 3bv4 h ALA 279 N 1.25 1.33 -0.09 2.92 0.00 -1.14 -0.53 119.26 123.00 3bv4 h ALA 279 Ca 0.23 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3bv4 h ALA 279 Cb 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3bv4 h ALA 279 CO -0.09 0.50 -0.30 0.77 0.00 0.00 0.00 179.25 180.12 3bv4 h SER 280 N 0.78 0.42 -0.47 0.00 0.02 -1.07 -2.30 113.55 110.92 3bv4 h SER 280 Ca 0.18 -0.62 0.01 0.00 -0.84 0.00 0.00 61.79 60.53 3bv4 h SER 280 Cb 0.19 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 3bv4 h SER 280 CO -0.01 0.96 0.30 0.40 -1.14 0.00 0.00 176.83 177.34 3bv4 h ILE 281 N -0.10 1.09 -0.54 3.27 2.04 -0.60 -0.63 117.51 122.04 3bv4 h ILE 281 Ca -0.01 -0.21 -0.11 0.00 1.00 0.00 0.00 64.86 65.53 3bv4 h ILE 281 Cb 0.93 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 3bv4 h ILE 281 CO 0.06 0.11 -0.10 0.78 0.00 0.00 0.00 178.15 179.01 3bv4 h ASN 282 N 0.60 1.01 -0.61 1.72 2.35 -1.15 -0.76 115.58 118.74 3bv4 h ASN 282 Ca 0.18 -0.33 -0.07 0.00 -0.55 0.00 0.00 56.30 55.54 3bv4 h ASN 282 Cb -0.03 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.04 3bv4 h ASN 282 CO -0.06 1.11 0.13 0.25 -1.65 0.00 0.00 177.43 177.21 3bv4 h LEU 283 N 0.90 0.97 -0.43 1.61 5.85 -1.18 -0.06 115.31 122.97 3bv4 h LEU 283 Ca 0.14 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 3bv4 h LEU 283 Cb 0.66 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 3bv4 h LEU 283 CO 0.05 0.95 0.15 -1.13 -0.34 0.00 0.00 178.44 178.12 3bv4 h ASN 284 N 0.97 0.61 -0.77 1.25 -1.24 -0.83 -1.86 115.58 113.70 3bv4 h ASN 284 Ca 0.20 -0.19 -0.03 0.00 0.71 0.00 0.00 56.30 56.99 3bv4 h ASN 284 Cb 0.38 -0.16 -0.04 0.00 0.73 0.00 0.00 38.32 39.24 3bv4 h ASN 284 CO 0.01 0.63 0.37 0.00 -1.29 0.00 0.00 177.43 177.15 3bv4 h ALA 285 N 1.00 1.18 -0.80 1.57 0.00 -0.78 -1.69 119.26 119.74 3bv4 h ALA 285 Ca 0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3bv4 h ALA 285 Cb 0.23 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3bv4 h ALA 285 CO -0.01 0.62 0.43 0.82 0.00 0.00 0.00 179.25 181.12 3bv4 h ILE 286 N 1.12 1.24 0.00 0.00 2.04 -0.66 -2.25 117.51 118.99 3bv4 h ILE 286 Ca 0.27 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.53 3bv4 h ILE 286 Cb 0.12 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 3bv4 h ILE 286 CO -0.03 0.27 0.00 0.78 0.00 0.00 0.00 178.15 179.16 3bv4 h ASN 287 N 1.12 0.00 0.50 1.72 2.35 -0.68 -3.05 115.58 117.54 3bv4 h ASN 287 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 3bv4 h ASN 287 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 3bv4 h ASN 287 CO -0.04 0.00 -0.64 0.29 -1.65 0.00 0.00 177.43 175.38 3bv4 n LYS 288 N -2.47 0.09 -1.68 0.81 5.02 -0.70 -4.68 118.16 114.55 3bv4 n LYS 288 Ca 0.04 0.01 -0.45 0.00 -2.02 0.00 0.00 58.31 55.90 3bv4 n LYS 288 Cb 0.40 -1.54 -0.04 0.00 -0.02 0.00 0.00 35.03 33.83 3bv4 n LYS 288 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3bv4 h PRO 290 N 7.45 0.00 -6.79 0.00 0.13 -1.91 -3.46 132.00 127.42 3bv4 h PRO 290 Ca -0.46 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.12 3bv4 h PRO 290 Cb 1.24 0.00 0.19 0.00 0.13 0.00 0.00 31.00 32.57 3bv4 h PRO 290 CO 0.92 0.04 -0.30 1.28 -0.23 0.00 0.00 178.00 179.71 3bv4 n LEU 291 N -3.23 1.28 -4.67 1.56 4.77 -1.26 -4.89 117.00 110.55 3bv4 n LEU 291 Ca -0.01 0.53 -0.43 0.00 -0.03 0.00 0.00 56.01 56.07 3bv4 n LEU 291 Cb 0.21 -1.27 -0.02 0.00 -2.33 0.00 0.00 43.42 40.01 3bv4 n LEU 291 CO 0.26 -2.96 0.98 -0.22 -1.33 0.00 0.00 177.39 174.11 3bv4 s LEU 292 N -1.45 4.20 -0.26 2.23 0.20 -1.26 -5.01 118.68 117.33 3bv4 s LEU 292 Ca 0.65 1.65 0.01 0.00 0.69 0.00 0.00 54.13 57.13 3bv4 s LEU 292 Cb -0.30 -3.55 0.07 0.00 -0.43 0.00 0.00 46.19 41.98 3bv4 s LEU 292 CO 0.59 -0.65 -0.04 -0.54 -0.29 0.00 0.00 176.35 175.42 3bv4 s LYS 293 N 2.89 1.64 -0.00 1.98 3.01 -1.26 -4.97 119.74 123.03 3bv4 s LYS 293 Ca 0.52 -1.18 0.01 0.00 -1.01 0.00 0.00 55.97 54.32 3bv4 s LYS 293 Cb -0.21 -2.68 0.04 0.00 -1.01 0.00 0.00 37.83 33.97 3bv4 s LYS 293 CO 0.15 -0.67 1.00 -0.35 0.51 0.00 0.00 175.35 176.00 3bv4 n PRO 294 N 4.59 1.10 -4.02 -1.68 -0.04 -1.26 -4.85 135.00 128.84 3bv4 n PRO 294 Ca -0.10 -0.14 -0.08 0.00 -0.04 0.00 0.00 63.50 63.14 3bv4 n PRO 294 Cb 0.43 -1.06 -0.10 0.00 -0.04 0.00 0.00 33.50 32.73 3bv4 n PRO 294 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3bv4 s TRP 295 N -1.89 0.37 0.43 0.54 0.51 -1.26 -4.86 118.94 112.77 3bv4 s TRP 295 Ca 0.03 -0.77 -0.26 0.00 -2.12 0.00 0.00 56.10 52.98 3bv4 s TRP 295 Cb 0.01 -0.27 -0.09 0.00 -0.81 0.00 0.00 33.47 32.32 3bv4 s TRP 295 CO 0.02 -0.31 1.37 0.00 -0.51 0.00 0.00 176.95 177.51 3bv4 s ALA 296 N -2.80 3.26 -0.36 0.98 0.00 -1.19 -4.82 121.76 116.83 3bv4 s ALA 296 Ca -0.03 1.35 0.04 0.00 0.00 0.00 0.00 51.96 53.32 3bv4 s ALA 296 Cb -0.00 -3.54 0.10 0.00 0.00 0.00 0.00 23.12 19.68 3bv4 s ALA 296 CO -0.06 -1.01 0.07 -0.51 0.00 0.00 0.00 175.76 174.26 3bv4 s LEU 297 N -2.56 4.62 0.00 0.00 1.43 -1.26 -0.53 118.68 120.37 3bv4 s LEU 297 Ca 0.59 -2.23 0.00 0.00 -1.03 0.00 0.00 54.13 51.46 3bv4 s LEU 297 Cb -0.41 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.21 3bv4 s LEU 297 CO 0.53 -0.37 0.00 1.07 0.23 0.00 0.00 176.35 177.81 3bv4 n THR 298 N 4.16 0.00 -4.23 5.49 5.66 0.18 -4.66 114.28 120.87 3bv4 n THR 298 Ca 0.04 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.76 3bv4 n THR 298 Cb 0.41 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.10 3bv4 n THR 298 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 3bv4 s PHE 299 N -0.60 2.75 -0.42 1.09 -0.71 -1.26 -1.25 117.98 117.57 3bv4 s PHE 299 Ca 0.00 -0.16 0.05 0.00 -1.04 0.00 0.00 56.93 55.78 3bv4 s PHE 299 Cb 0.00 -1.38 0.19 0.00 -1.21 0.00 0.00 43.02 40.62 3bv4 s PHE 299 CO 0.00 0.48 0.45 0.45 -1.34 0.00 0.00 175.22 175.26 3bv4 n SER 300 N 0.28 -0.75 -4.82 1.98 2.88 -0.29 0.42 113.62 113.33 3bv4 n SER 300 Ca -0.12 -2.54 -0.36 0.00 -1.33 0.00 0.00 58.87 54.52 3bv4 n SER 300 Cb 0.54 -0.23 -0.07 0.00 -0.75 0.00 0.00 64.21 63.70 3bv4 n SER 300 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3bv4 s TYR 301 N -0.12 3.45 0.00 0.66 2.02 -0.78 -4.26 117.35 118.32 3bv4 s TYR 301 Ca 0.33 0.41 0.00 0.00 -0.37 0.00 0.00 57.07 57.44 3bv4 s TYR 301 Cb 0.07 -1.88 0.00 0.00 -0.40 0.00 0.00 41.96 39.76 3bv4 s TYR 301 CO -0.16 0.65 0.00 0.41 -1.57 0.00 0.00 175.55 174.87 3bv4 n GLY 302 N 1.92 -0.04 0.36 0.71 0.00 -1.26 -0.56 105.19 106.31 3bv4 n GLY 302 Ca -0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.91 3bv4 n GLY 302 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3bv4 h ARG 303 N 0.00 0.72 0.00 1.61 3.08 -1.93 -0.60 114.38 117.26 3bv4 h ARG 303 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3bv4 h ARG 303 Cb 0.00 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.89 3bv4 h ARG 303 CO 0.00 0.48 0.00 0.00 -1.07 0.00 0.00 179.97 179.38 3bv4 n ALA 304 N -2.45 1.23 -0.01 0.04 0.00 -1.26 -0.60 120.51 117.46 3bv4 n ALA 304 Ca 0.12 0.13 0.02 0.00 0.00 0.00 0.00 53.44 53.71 3bv4 n ALA 304 Cb 0.29 -1.28 -0.05 0.00 0.00 0.00 0.00 19.45 18.41 3bv4 n ALA 304 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3bv4 n LEU 305 N -2.09 0.00 -0.03 0.00 4.77 -0.52 -4.67 117.00 114.47 3bv4 n LEU 305 Ca -0.00 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.01 3bv4 n LEU 305 Cb 0.08 0.01 -0.12 0.00 -2.33 0.00 0.00 43.42 41.07 3bv4 n LEU 305 CO 0.11 0.01 -0.76 0.00 -1.33 0.00 0.00 177.39 175.42 3bv4 n GLN 306 N -1.75 0.83 -0.28 3.23 6.02 -0.35 -4.52 117.38 120.56 3bv4 n GLN 306 Ca -0.02 -0.10 -0.10 0.00 -0.01 0.00 0.00 57.00 56.77 3bv4 n GLN 306 Cb 0.21 -1.36 -0.07 0.00 1.02 0.00 0.00 30.24 30.04 3bv4 n GLN 306 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3bv4 h ALA 307 N 1.17 -0.50 -0.40 -1.58 0.00 -1.09 0.14 119.26 117.02 3bv4 h ALA 307 Ca -0.11 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3bv4 h ALA 307 Cb 1.03 1.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.98 3bv4 h ALA 307 CO 0.01 -0.93 -0.11 0.77 0.00 0.00 0.00 179.25 178.99 3bv4 h SER 308 N -0.17 0.69 -0.31 0.00 0.02 -1.86 -2.30 113.55 109.63 3bv4 h SER 308 Ca 0.16 -0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 3bv4 h SER 308 Cb 0.52 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 3bv4 h SER 308 CO -0.79 0.83 0.07 0.00 -1.14 0.00 0.00 176.83 175.80 3bv4 h ALA 309 N 1.24 0.40 -0.45 3.77 0.00 -1.51 -0.28 119.26 122.43 3bv4 h ALA 309 Ca 0.11 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3bv4 h ALA 309 Cb 0.56 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3bv4 h ALA 309 CO 0.03 0.07 0.28 1.25 0.00 0.00 0.00 179.25 180.89 3bv4 h LEU 310 N 0.33 0.48 -0.50 0.00 5.85 -0.66 -0.97 115.31 119.84 3bv4 h LEU 310 Ca 0.10 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 3bv4 h LEU 310 Cb 0.30 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3bv4 h LEU 310 CO 0.00 0.35 0.22 0.50 -0.34 0.00 0.00 178.44 179.17 3bv4 h LYS 311 N 0.58 0.73 -0.53 1.25 3.64 -1.24 -2.35 116.57 118.64 3bv4 h LYS 311 Ca 0.17 -0.12 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 3bv4 h LYS 311 Cb -0.04 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 3bv4 h LYS 311 CO -0.05 0.63 0.01 0.00 -2.27 0.00 0.00 179.45 177.77 3bv4 h ALA 312 N 1.07 1.01 0.19 5.00 0.00 -0.78 -3.14 119.26 122.61 3bv4 h ALA 312 Ca 0.17 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3bv4 h ALA 312 Cb 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3bv4 h ALA 312 CO -0.02 0.61 -0.09 2.35 0.00 0.00 0.00 179.25 182.10 3bv4 h TRP 313 N 0.84 -0.24 -0.85 0.00 7.01 -1.00 -3.44 115.95 118.26 3bv4 h TRP 313 Ca 0.16 -0.01 -0.31 0.00 2.11 0.00 0.00 58.89 60.84 3bv4 h TRP 313 Cb 0.48 0.08 -0.12 0.00 -2.10 0.00 0.00 29.16 27.50 3bv4 h TRP 313 CO 0.03 -0.03 -0.28 0.41 -2.79 0.00 0.00 178.44 175.77 3bv4 n GLY 314 N -0.80 1.45 2.48 2.65 0.00 -0.90 -1.40 105.19 108.67 3bv4 n GLY 314 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3bv4 n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bv4 n GLY 315 N -0.09 0.65 3.55 -0.02 0.00 -1.26 -4.78 105.19 103.24 3bv4 n GLY 315 Ca -0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 3bv4 n GLY 315 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bv4 s LYS 316 N -0.12 3.85 0.46 1.61 1.02 -0.49 -4.99 119.74 121.08 3bv4 s LYS 316 Ca 0.00 -0.39 0.17 0.00 0.02 0.00 0.00 55.97 55.77 3bv4 s LYS 316 Cb 0.00 -3.38 1.13 0.00 -0.52 0.00 0.00 37.83 35.06 3bv4 s LYS 316 CO 0.00 -0.03 1.98 -0.22 -0.92 0.00 0.00 175.35 176.16 3bv4 h LYS 317 N 7.75 0.29 0.00 1.68 3.11 -1.95 -0.89 116.57 126.56 3bv4 h LYS 317 Ca -0.37 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.45 3bv4 h LYS 317 Cb 1.18 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 32.34 3bv4 h LYS 317 CO 0.61 0.19 0.00 0.39 -2.81 0.00 0.00 179.45 177.83 3bv4 n GLU 318 N -4.45 0.18 -0.27 1.90 1.02 -1.26 -2.09 120.64 115.67 3bv4 n GLU 318 Ca 0.10 0.47 0.09 0.00 -0.02 0.00 0.00 57.16 57.80 3bv4 n GLU 318 Cb 0.44 -1.88 0.25 0.00 -0.02 0.00 0.00 31.44 30.22 3bv4 n GLU 318 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3bv4 n ASN 319 N -2.23 2.94 0.03 1.62 5.03 -0.34 -4.62 115.26 117.70 3bv4 n ASN 319 Ca 0.01 -1.99 -0.15 0.00 0.87 0.00 0.00 54.58 53.32 3bv4 n ASN 319 Cb 0.18 -0.35 -0.10 0.00 -1.02 0.00 0.00 39.78 38.49 3bv4 n ASN 319 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 3bv4 h LEU 320 N 3.27 -1.65 -0.86 3.41 5.85 -1.54 -0.72 115.31 123.07 3bv4 h LEU 320 Ca 0.00 0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 3bv4 h LEU 320 Cb 0.75 0.63 -0.03 0.00 0.37 0.00 0.00 40.66 42.37 3bv4 h LEU 320 CO 0.00 -0.50 0.30 0.11 -0.34 0.00 0.00 178.44 178.01 3bv4 h LYS 321 N -0.63 1.14 -0.77 1.25 1.57 -1.86 -1.51 116.57 115.76 3bv4 h LYS 321 Ca 0.02 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.59 3bv4 h LYS 321 Cb 0.70 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.78 3bv4 h LYS 321 CO -0.38 0.93 0.47 0.00 -0.57 0.00 0.00 179.45 179.90 3bv4 h ALA 322 N 1.21 0.98 -0.49 3.86 0.00 -1.82 -0.93 119.26 122.07 3bv4 h ALA 322 Ca 0.26 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3bv4 h ALA 322 Cb 0.21 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3bv4 h ALA 322 CO -0.02 0.44 0.12 0.00 0.00 0.00 0.00 179.25 179.80 3bv4 h ALA 323 N 1.25 0.65 -0.53 0.00 0.00 -0.75 -2.63 119.26 117.25 3bv4 h ALA 323 Ca 0.28 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3bv4 h ALA 323 Cb -0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3bv4 h ALA 323 CO -0.05 0.33 0.18 1.96 0.00 0.00 0.00 179.25 181.67 3bv4 h GLN 324 N 0.67 0.78 -0.65 0.00 4.20 -0.84 -2.42 115.11 116.85 3bv4 h GLN 324 Ca 0.15 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 3bv4 h GLN 324 Cb 0.32 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 3bv4 h GLN 324 CO 0.00 0.66 0.23 1.49 -0.67 0.00 0.00 178.83 180.55 3bv4 h GLU 325 N 0.76 0.97 -0.48 1.46 4.57 -0.88 0.10 114.58 121.08 3bv4 h GLU 325 Ca 0.18 -0.17 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 3bv4 h GLU 325 Cb 0.20 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 3bv4 h GLU 325 CO -0.01 0.81 0.18 0.93 -1.18 0.00 0.00 179.01 179.74 3bv4 h GLU 326 N 0.95 0.73 -0.33 1.92 4.39 -1.09 -1.45 114.58 119.69 3bv4 h GLU 326 Ca 0.22 -0.14 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 3bv4 h GLU 326 Cb 0.22 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 3bv4 h GLU 326 CO -0.01 0.66 0.06 -0.92 -1.16 0.00 0.00 179.01 177.64 3bv4 h TYR 327 N 0.64 0.58 -0.86 4.33 3.20 -1.13 -2.80 116.97 120.93 3bv4 h TYR 327 Ca 0.16 -0.08 0.03 0.00 3.14 0.00 0.00 58.73 61.98 3bv4 h TYR 327 Cb 0.21 -0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.27 3bv4 h TYR 327 CO 0.01 0.61 0.55 0.28 -1.64 0.00 0.00 178.16 177.97 3bv4 h VAL 328 N 0.38 1.14 -0.79 1.81 2.07 -0.64 -0.10 116.25 120.12 3bv4 h VAL 328 Ca 0.10 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.26 3bv4 h VAL 328 Cb 0.34 -0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.04 3bv4 h VAL 328 CO 0.01 0.20 0.52 0.50 0.02 0.00 0.00 177.57 178.81 3bv4 h LYS 329 N 1.08 1.04 -0.06 1.57 3.64 -1.13 -0.80 116.57 121.91 3bv4 h LYS 329 Ca 0.34 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 59.50 3bv4 h LYS 329 Cb 0.01 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 3bv4 h LYS 329 CO -0.12 0.69 -0.65 0.00 -2.27 0.00 0.00 179.45 177.10 3bv4 h ARG 330 N 1.07 0.24 -0.44 1.90 2.47 -1.13 -1.86 114.38 116.63 3bv4 h ARG 330 Ca 0.29 -0.18 -0.04 0.00 -1.26 0.00 0.00 59.98 58.79 3bv4 h ARG 330 Cb -0.12 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.21 3bv4 h ARG 330 CO -0.06 0.81 0.13 0.00 0.56 0.00 0.00 179.97 181.40 3bv4 h ALA 331 N 1.15 0.58 -0.66 0.04 0.00 -0.48 -1.15 119.26 118.74 3bv4 h ALA 331 Ca -0.01 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 3bv4 h ALA 331 Cb 1.18 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 3bv4 h ALA 331 CO 0.10 0.24 0.10 -0.07 0.00 0.00 0.00 179.25 179.62 3bv4 h LEU 332 N 0.57 1.06 -0.20 0.00 3.38 -1.09 -0.70 115.31 118.33 3bv4 h LEU 332 Ca 0.14 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3bv4 h LEU 332 Cb 0.28 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3bv4 h LEU 332 CO -0.00 1.05 0.12 0.00 0.09 0.00 0.00 178.44 179.70 3bv4 h ALA 333 N 1.04 0.25 0.00 1.53 0.00 -1.09 -2.07 119.26 118.92 3bv4 h ALA 333 Ca 0.20 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3bv4 h ALA 333 Cb 0.45 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3bv4 h ALA 333 CO 0.01 -0.23 -0.42 -0.91 0.00 0.00 0.00 179.25 177.70 3bv4 h ASN 334 N 0.23 0.00 -0.63 0.00 2.35 -1.11 -0.47 115.58 115.95 3bv4 h ASN 334 Ca 0.07 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.74 3bv4 h ASN 334 Cb 0.04 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 3bv4 h ASN 334 CO -0.01 0.42 0.07 -1.28 -1.65 0.00 0.00 177.43 174.98 3bv4 h SER 335 N 0.00 1.04 -0.10 5.81 0.87 -0.88 -0.92 113.55 119.37 3bv4 h SER 335 Ca -0.00 -0.26 -0.20 0.00 -1.23 0.00 0.00 61.79 60.09 3bv4 h SER 335 Cb 1.00 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 3bv4 h SER 335 CO 0.06 1.05 -0.70 -0.07 -0.53 0.00 0.00 176.83 176.63 3bv4 h LEU 336 N 1.00 0.86 -1.02 2.23 3.38 -1.07 -3.24 115.31 117.44 3bv4 h LEU 336 Ca 0.19 -0.53 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 3bv4 h LEU 336 Cb 0.48 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 3bv4 h LEU 336 CO 0.02 1.31 0.57 0.00 0.09 0.00 0.00 178.44 180.44 3bv4 h ALA 337 N 0.68 1.28 0.00 1.53 0.00 -0.76 0.24 119.26 122.22 3bv4 h ALA 337 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3bv4 h ALA 337 Cb 1.31 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3bv4 h ALA 337 CO 0.14 0.64 0.00 0.00 0.00 0.00 0.00 179.25 180.03 3bv4 n GLN 339 N -0.78 -0.55 -2.29 0.00 6.02 -0.55 -4.69 117.38 114.54 3bv4 n GLN 339 Ca 0.10 -0.66 -0.13 0.00 -0.01 0.00 0.00 57.00 56.30 3bv4 n GLN 339 Cb 0.05 -1.04 -0.00 0.00 1.02 0.00 0.00 30.24 30.27 3bv4 n GLN 339 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3bv4 n GLY 340 N 0.08 -0.16 0.07 1.08 0.00 -0.52 -4.92 105.19 100.82 3bv4 n GLY 340 Ca 0.01 -0.33 0.06 0.00 0.00 0.00 0.00 46.02 45.76 3bv4 n GLY 340 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3bv4 n LYS 341 N -2.30 1.75 -3.06 1.61 5.02 -0.04 -4.85 118.16 116.28 3bv4 n LYS 341 Ca -0.15 -2.04 -0.40 0.00 -2.02 0.00 0.00 58.31 53.70 3bv4 n LYS 341 Cb 0.61 -1.23 -0.05 0.00 -0.02 0.00 0.00 35.03 34.34 3bv4 n LYS 341 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3bv4 s TYR 342 N -1.96 3.54 -0.17 2.13 5.04 -1.21 -4.83 117.35 119.90 3bv4 s TYR 342 Ca 0.18 1.18 0.00 0.00 -2.44 0.00 0.00 57.07 56.00 3bv4 s TYR 342 Cb 0.16 -2.80 0.04 0.00 0.35 0.00 0.00 41.96 39.71 3bv4 s TYR 342 CO 0.02 0.04 -0.09 0.99 -1.34 0.00 0.00 175.55 175.16 3bv4 s THR 343 N 1.00 1.40 -2.58 4.34 2.01 -1.26 -4.95 115.64 115.61 3bv4 s THR 343 Ca 0.36 -0.73 0.27 0.00 0.31 0.00 0.00 61.69 61.90 3bv4 s THR 343 Cb -0.17 -1.46 0.49 0.00 0.01 0.00 0.00 72.50 71.37 3bv4 s THR 343 CO 0.16 0.25 1.67 -0.24 -0.69 0.00 0.00 174.62 175.77