#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vxb s LEU 2 N 0.00 4.23 0.90 1.34 1.02 -1.26 -5.05 118.68 119.86 1vxb s LEU 2 Ca 0.00 0.70 -0.11 0.00 0.02 0.00 0.00 54.13 54.74 1vxb s LEU 2 Cb 0.00 -2.63 0.14 0.00 0.02 0.00 0.00 46.19 43.72 1vxb s LEU 2 CO 0.00 -0.04 1.11 -0.94 0.02 0.00 0.00 176.35 176.50 1vxb s SER 3 N 0.78 3.22 0.20 2.29 1.04 -1.26 -4.78 113.70 115.19 1vxb s SER 3 Ca 0.23 1.86 -0.17 0.00 0.48 0.00 0.00 55.95 58.35 1vxb s SER 3 Cb -0.15 -2.44 0.19 0.00 0.10 0.00 0.00 66.02 63.72 1vxb s SER 3 CO 0.09 -2.86 1.60 -0.33 0.98 0.00 0.00 173.24 172.72 1vxb h GLU 4 N -1.70 -0.08 -0.17 4.02 4.39 -2.00 0.34 114.58 119.38 1vxb h GLU 4 Ca -0.47 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.22 1vxb h GLU 4 Cb 1.27 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.93 1vxb h GLU 4 CO 0.48 -0.06 0.04 0.78 -1.16 0.00 0.00 179.01 179.10 1vxb h GLY 5 N -0.09 0.25 1.16 -3.84 0.00 -2.00 -2.29 103.07 96.26 1vxb h GLY 5 Ca 0.28 -0.11 -0.21 0.00 0.00 0.00 0.00 47.33 47.29 1vxb h GLY 5 CO -0.69 0.10 -0.71 0.83 0.00 0.00 0.00 176.54 176.07 1vxb h GLU 6 N 0.23 0.82 0.00 4.80 5.08 -0.76 -3.19 114.58 121.56 1vxb h GLU 6 Ca 0.06 -0.63 -0.12 0.00 -1.00 0.00 0.00 59.36 57.67 1vxb h GLU 6 Cb 0.09 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1vxb h GLU 6 CO -0.00 1.24 -0.56 -1.49 -1.00 0.00 0.00 179.01 177.19 1vxb h TRP 7 N 0.57 0.00 -0.59 4.33 -0.00 -0.97 -3.08 115.95 116.21 1vxb h TRP 7 Ca -0.04 0.00 -0.07 0.00 -0.00 0.00 0.00 58.89 58.78 1vxb h TRP 7 Cb 1.34 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 30.47 1vxb h TRP 7 CO 0.08 0.56 0.08 1.96 -0.00 0.00 0.00 178.44 181.12 1vxb h GLN 8 N 0.00 0.97 -0.16 0.49 4.20 -1.44 1.32 115.11 120.50 1vxb h GLN 8 Ca -0.01 -0.25 -0.18 0.00 0.06 0.00 0.00 58.65 58.27 1vxb h GLN 8 Cb 1.00 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.66 1vxb h GLN 8 CO 0.07 0.91 -0.65 -0.07 -0.67 0.00 0.00 178.83 178.43 1vxb h LEU 9 N 0.91 0.68 0.67 1.46 4.07 -1.60 0.98 115.31 122.48 1vxb h LEU 9 Ca 0.18 -0.40 -0.03 0.00 0.08 0.00 0.00 57.88 57.71 1vxb h LEU 9 Cb 0.43 -0.20 0.01 0.00 1.08 0.00 0.00 40.66 41.98 1vxb h LEU 9 CO 0.01 1.15 -0.32 0.58 -1.08 0.00 0.00 178.44 178.78 1vxb h VAL 10 N 0.43 0.24 -0.68 1.22 2.07 -1.31 -1.62 116.25 116.60 1vxb h VAL 10 Ca -0.02 -0.22 0.15 0.00 0.82 0.00 0.00 66.70 67.44 1vxb h VAL 10 Cb 1.23 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 1vxb h VAL 10 CO 0.12 0.02 0.47 -0.07 0.02 0.00 0.00 177.57 178.13 1vxb h LEU 11 N -1.06 0.24 0.71 2.57 3.38 0.18 -1.77 115.31 119.55 1vxb h LEU 11 Ca -0.09 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1vxb h LEU 11 Cb 0.72 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1vxb h LEU 11 CO 0.15 0.12 -0.39 -0.74 0.09 0.00 0.00 178.44 177.67 1vxb h HIS 12 N 0.25 -1.03 0.00 1.13 2.76 -0.72 -1.32 115.15 116.23 1vxb h HIS 12 Ca 0.33 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.48 1vxb h HIS 12 Cb 0.94 0.35 0.00 0.00 1.55 0.00 0.00 27.41 30.25 1vxb h HIS 12 CO -0.00 -0.60 0.00 -0.39 -1.30 0.00 0.00 177.93 175.64 1vxb h VAL 13 N -1.01 0.00 0.07 5.26 -1.51 -0.74 -2.42 116.25 115.90 1vxb h VAL 13 Ca -0.10 -0.25 -0.28 0.00 -1.23 0.00 0.00 66.70 64.85 1vxb h VAL 13 Cb 0.80 1.02 -0.02 0.00 -2.13 0.00 0.00 31.29 30.96 1vxb h VAL 13 CO 0.13 0.00 -1.39 -0.25 -1.23 0.00 0.00 177.57 174.83 1vxb h TRP 14 N 0.00 0.28 -1.02 5.19 2.91 -1.20 -2.70 115.95 119.41 1vxb h TRP 14 Ca 0.00 -0.20 0.26 0.00 1.13 0.00 0.00 58.89 60.07 1vxb h TRP 14 Cb 0.34 -0.01 -0.12 0.00 -0.51 0.00 0.00 29.16 28.86 1vxb h TRP 14 CO 0.00 1.22 0.62 0.00 -1.03 0.00 0.00 178.44 179.24 1vxb h ALA 15 N 0.70 1.92 -0.22 2.65 0.00 -0.74 0.79 119.26 124.36 1vxb h ALA 15 Ca -0.18 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1vxb h ALA 15 Cb 1.95 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 1vxb h ALA 15 CO 0.15 -0.38 -0.08 0.87 0.00 0.00 0.00 179.25 179.80 1vxb h LYS 16 N 0.52 0.43 -0.70 0.00 1.79 -1.44 -2.96 116.57 114.21 1vxb h LYS 16 Ca 0.64 -0.18 -0.07 0.00 -2.18 0.00 0.00 60.65 58.86 1vxb h LYS 16 Cb 1.33 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.94 1vxb h LYS 16 CO -0.44 0.70 0.17 0.28 -1.08 0.00 0.00 179.45 179.07 1vxb h VAL 17 N 0.15 1.26 -0.99 0.50 2.07 -0.54 -0.38 116.25 118.33 1vxb h VAL 17 Ca 0.05 -0.98 0.15 0.00 0.82 0.00 0.00 66.70 66.74 1vxb h VAL 17 Cb 0.55 0.54 -0.16 0.00 -1.52 0.00 0.00 31.29 30.71 1vxb h VAL 17 CO 0.03 0.38 -0.39 1.21 0.02 0.00 0.00 177.57 178.81 1vxb n GLU 18 N -4.23 -0.24 -0.26 1.57 4.07 0.25 -2.17 120.64 119.63 1vxb n GLU 18 Ca 0.05 1.52 -0.05 0.00 -0.06 0.00 0.00 57.16 58.63 1vxb n GLU 18 Cb 0.26 -2.26 -0.03 0.00 -0.06 0.00 0.00 31.44 29.36 1vxb n GLU 18 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1vxb n ALA 19 N -3.47 -0.29 -3.80 4.31 0.00 -0.15 -3.73 120.51 113.38 1vxb n ALA 19 Ca 0.10 0.59 -0.29 0.00 0.00 0.00 0.00 53.44 53.84 1vxb n ALA 19 Cb 0.39 -0.16 -0.16 0.00 0.00 0.00 0.00 19.45 19.52 1vxb n ALA 19 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1vxb s ASP 20 N -5.29 3.35 0.00 0.00 2.15 -0.92 -5.03 116.67 110.93 1vxb s ASP 20 Ca -0.08 -1.04 0.07 0.00 0.43 0.00 0.00 52.55 51.93 1vxb s ASP 20 Cb 0.09 -0.81 -0.23 0.00 -0.30 0.00 0.00 42.92 41.67 1vxb s ASP 20 CO 0.42 -0.30 0.84 0.58 -0.17 0.00 0.00 175.17 176.55 1vxb h VAL 21 N 6.56 1.12 0.00 1.11 2.07 -1.64 -3.37 116.25 122.11 1vxb h VAL 21 Ca -0.16 -2.89 -0.03 0.00 0.82 0.00 0.00 66.70 64.43 1vxb h VAL 21 Cb 1.09 2.60 -0.01 0.00 -1.52 0.00 0.00 31.29 33.45 1vxb h VAL 21 CO 0.38 0.69 -1.58 0.00 0.02 0.00 0.00 177.57 177.08 1vxb n ALA 22 N -2.54 2.56 -0.07 1.67 0.00 -1.26 -0.96 120.51 119.91 1vxb n ALA 22 Ca -0.13 -0.45 -0.18 0.00 0.00 0.00 0.00 53.44 52.68 1vxb n ALA 22 Cb 1.02 -0.88 -0.13 0.00 0.00 0.00 0.00 19.45 19.46 1vxb n ALA 22 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1vxb h GLY 23 N 3.98 0.06 -0.68 0.00 0.00 -1.94 -2.39 103.07 102.09 1vxb h GLY 23 Ca -0.04 -0.14 0.06 0.00 0.00 0.00 0.00 47.33 47.20 1vxb h GLY 23 CO 0.01 0.13 -0.40 1.42 0.00 0.00 0.00 176.54 177.69 1vxb n HIS 24 N -4.42 -0.30 -0.34 5.60 8.25 -1.25 -1.80 115.22 120.96 1vxb n HIS 24 Ca -0.21 0.85 0.25 0.00 -0.26 0.00 0.00 57.72 58.35 1vxb n HIS 24 Cb 0.63 -0.55 0.49 0.00 1.12 0.00 0.00 29.99 31.69 1vxb n HIS 24 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1vxb h GLY 25 N 0.00 2.01 0.23 -1.41 0.00 -1.10 -1.47 103.07 101.33 1vxb h GLY 25 Ca 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1vxb h GLY 25 CO -0.64 -0.49 -0.26 1.46 0.00 0.00 0.00 176.54 176.61 1vxb h GLN 26 N 0.30 -0.48 -0.79 4.80 1.08 -0.80 -3.23 115.11 115.98 1vxb h GLN 26 Ca 0.74 0.03 0.06 0.00 -1.45 0.00 0.00 58.65 58.04 1vxb h GLN 26 Cb 1.75 0.11 -0.06 0.00 -0.05 0.00 0.00 27.48 29.23 1vxb h GLN 26 CO -0.59 -0.32 0.48 -0.44 -0.95 0.00 0.00 178.83 177.01 1vxb h ASP 27 N -0.50 0.74 0.68 1.46 3.32 -0.86 -2.52 116.42 118.75 1vxb h ASP 27 Ca -0.03 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 1vxb h ASP 27 Cb 0.44 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 1vxb h ASP 27 CO -0.05 0.47 -0.39 0.40 -1.72 0.00 0.00 179.24 177.95 1vxb h ILE 28 N 0.87 0.00 -0.62 0.35 2.04 -1.61 0.70 117.51 119.25 1vxb h ILE 28 Ca 0.35 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.32 1vxb h ILE 28 Cb 0.18 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.14 1vxb h ILE 28 CO -0.18 0.00 -0.29 -0.07 0.00 0.00 0.00 178.15 177.61 1vxb h LEU 29 N -1.00 -1.02 -1.87 1.44 4.07 -1.62 1.22 115.31 116.54 1vxb h LEU 29 Ca -0.09 0.22 0.09 0.00 0.08 0.00 0.00 57.88 58.18 1vxb h LEU 29 Cb 0.79 0.53 -0.02 0.00 1.08 0.00 0.00 40.66 43.04 1vxb h LEU 29 CO 0.11 -0.28 0.28 0.40 -1.08 0.00 0.00 178.44 177.87 1vxb h ILE 30 N -0.12 0.87 0.00 1.22 2.04 -0.48 0.21 117.51 121.26 1vxb h ILE 30 Ca 0.26 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 66.07 1vxb h ILE 30 Cb 0.54 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1vxb h ILE 30 CO -0.69 0.03 0.00 -0.09 0.00 0.00 0.00 178.15 177.40 1vxb h ARG 31 N 0.15 0.00 0.01 2.37 9.65 0.75 0.28 114.38 127.60 1vxb h ARG 31 Ca 0.19 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 59.00 1vxb h ARG 31 Cb 0.55 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.14 1vxb h ARG 31 CO -0.03 0.00 -0.27 1.25 2.80 0.00 0.00 179.97 183.73 1vxb h LEU 32 N 0.00 0.21 -0.27 3.80 5.85 0.85 -3.15 115.31 122.61 1vxb h LEU 32 Ca 0.00 -0.83 -0.04 0.00 0.84 0.00 0.00 57.88 57.85 1vxb h LEU 32 Cb 0.91 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 1vxb h LEU 32 CO 0.00 1.01 -0.17 -0.26 -0.34 0.00 0.00 178.44 178.68 1vxb h PHE 33 N -0.57 0.00 0.13 1.25 0.04 -0.55 -2.23 116.94 115.01 1vxb h PHE 33 Ca -0.04 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 1vxb h PHE 33 Cb 1.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.22 1vxb h PHE 33 CO 0.20 0.17 -0.06 0.87 -0.60 0.00 0.00 178.31 178.89 1vxb h LYS 34 N 0.00 -0.17 0.00 1.51 1.79 -0.61 -3.31 116.57 115.78 1vxb h LYS 34 Ca -0.00 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1vxb h LYS 34 Cb 1.04 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.72 1vxb h LYS 34 CO 0.02 0.29 -0.07 0.77 -1.08 0.00 0.00 179.45 179.38 1vxb h SER 35 N -0.89 0.00 -1.75 0.86 0.02 -1.56 -3.38 113.55 106.85 1vxb h SER 35 Ca -0.02 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.47 1vxb h SER 35 Cb 0.53 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 62.70 1vxb h SER 35 CO 0.03 0.07 -1.09 1.41 -1.14 0.00 0.00 176.83 176.11 1vxb n HIS 36 N -3.14 -0.31 0.11 3.45 8.25 -0.84 -4.97 115.22 117.78 1vxb n HIS 36 Ca 0.02 -3.55 0.01 0.00 -0.26 0.00 0.00 57.72 53.94 1vxb n HIS 36 Cb 0.47 -0.15 0.06 0.00 1.12 0.00 0.00 29.99 31.50 1vxb n HIS 36 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1vxb n PRO 37 N 0.52 0.02 -0.06 -0.41 -0.01 -1.25 0.20 135.00 134.02 1vxb n PRO 37 Ca 0.22 0.37 -0.13 0.00 -0.01 0.00 0.00 63.50 63.95 1vxb n PRO 37 Cb 0.64 -2.14 -0.07 0.00 -0.01 0.00 0.00 33.50 31.92 1vxb n PRO 37 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 175.50 176.42 1vxb h GLU 38 N 0.00 0.36 -0.39 -0.52 5.08 -1.89 -3.22 114.58 114.00 1vxb h GLU 38 Ca 0.00 -0.19 0.08 0.00 -1.00 0.00 0.00 59.36 58.26 1vxb h GLU 38 Cb 1.14 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.31 1vxb h GLU 38 CO 0.00 0.73 -0.19 1.79 -1.00 0.00 0.00 179.01 180.34 1vxb h THR 39 N 0.00 0.44 -0.92 1.13 1.35 0.20 -2.85 112.91 112.25 1vxb h THR 39 Ca 0.03 0.00 0.26 0.00 -0.55 0.00 0.00 66.41 66.15 1vxb h THR 39 Cb 0.66 0.44 -0.14 0.00 -1.73 0.00 0.00 68.15 67.37 1vxb h THR 39 CO 0.03 0.00 0.35 0.25 -0.25 0.00 0.00 175.52 175.91 1vxb h LEU 40 N -0.12 0.18 -0.98 3.87 5.85 -1.68 0.16 115.31 122.58 1vxb h LEU 40 Ca 0.19 0.19 0.00 0.00 0.84 0.00 0.00 57.88 59.11 1vxb h LEU 40 Cb 0.41 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.66 1vxb h LEU 40 CO -0.46 -0.14 0.00 1.21 -0.34 0.00 0.00 178.44 178.70 1vxb n GLU 41 N -5.16 0.16 -0.24 1.25 4.07 -1.08 -0.76 120.64 118.88 1vxb n GLU 41 Ca 0.25 0.52 -0.08 0.00 -0.06 0.00 0.00 57.16 57.79 1vxb n GLU 41 Cb 0.78 -1.89 0.04 0.00 -0.06 0.00 0.00 31.44 30.31 1vxb n GLU 41 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1vxb h LYS 42 N 0.00 1.11 -5.26 5.31 1.79 -0.81 -3.43 116.57 115.28 1vxb h LYS 42 Ca 0.00 -0.30 -0.65 0.00 -2.18 0.00 0.00 60.65 57.52 1vxb h LYS 42 Cb 0.18 -0.13 -0.16 0.00 -1.58 0.00 0.00 32.23 30.55 1vxb h LYS 42 CO 0.00 1.02 0.50 -0.06 -1.08 0.00 0.00 179.45 179.83 1vxb s PHE 43 N -5.19 2.78 0.08 -1.35 0.08 0.06 -4.92 117.98 109.53 1vxb s PHE 43 Ca -0.12 -0.72 0.32 0.00 0.12 0.00 0.00 56.93 56.53 1vxb s PHE 43 Cb 0.14 -4.24 1.25 0.00 -0.57 0.00 0.00 43.02 39.60 1vxb s PHE 43 CO 0.85 -1.57 1.94 -0.44 -0.10 0.00 0.00 175.22 175.91 1vxb h ASP 44 N 9.42 0.00 -0.53 1.36 5.19 -1.84 -2.97 116.42 127.04 1vxb h ASP 44 Ca -0.24 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.17 1vxb h ASP 44 Cb 1.07 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.58 1vxb h ASP 44 CO 1.16 0.04 0.00 -2.11 -3.12 0.00 0.00 179.24 175.21 1vxb n ARG 45 N -3.15 2.33 0.00 3.56 1.85 -1.26 -4.42 116.66 115.58 1vxb n ARG 45 Ca 0.01 -2.06 0.00 0.00 -1.00 0.00 0.00 57.85 54.79 1vxb n ARG 45 Cb 0.34 -1.46 0.00 0.00 -1.05 0.00 0.00 32.46 30.29 1vxb n ARG 45 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1vxb n PHE 46 N 1.19 0.00 0.81 2.89 3.72 -1.13 -4.81 117.46 120.13 1vxb n PHE 46 Ca 0.19 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.73 1vxb n PHE 46 Cb 0.50 0.00 0.44 0.00 -0.94 0.00 0.00 39.48 39.48 1vxb n PHE 46 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1vxb n LYS 47 N 0.00 0.14 0.06 -1.08 5.02 -1.15 -3.04 118.16 118.11 1vxb n LYS 47 Ca 0.00 0.09 0.02 0.00 -2.02 0.00 0.00 58.31 56.40 1vxb n LYS 47 Cb 0.04 -1.64 0.36 0.00 -0.02 0.00 0.00 35.03 33.77 1vxb n LYS 47 CO 0.00 0.00 0.00 1.12 -0.52 0.00 0.00 177.40 178.00 1vxb h HIS 48 N 0.00 0.39 -0.06 2.13 2.07 -1.88 -3.40 115.15 114.41 1vxb h HIS 48 Ca 0.00 -0.03 -0.01 0.00 -2.85 0.00 0.00 60.37 57.48 1vxb h HIS 48 Cb 0.62 -0.12 0.00 0.00 2.57 0.00 0.00 27.41 30.49 1vxb h HIS 48 CO 0.00 0.42 0.29 1.28 -3.07 0.00 0.00 177.93 176.85 1vxb n LEU 49 N -4.31 0.42 0.23 6.12 4.77 -1.17 -4.78 117.00 118.29 1vxb n LEU 49 Ca 0.01 -2.17 -0.09 0.00 -0.03 0.00 0.00 56.01 53.72 1vxb n LEU 49 Cb 0.23 -1.40 -0.04 0.00 -2.33 0.00 0.00 43.42 39.87 1vxb n LEU 49 CO 0.38 -3.10 0.40 0.11 -1.33 0.00 0.00 177.39 173.85 1vxb h LYS 50 N 10.92 -0.58 -7.42 3.23 1.79 -1.88 -3.47 116.57 119.16 1vxb h LYS 50 Ca 0.00 0.04 -0.46 0.00 -2.18 0.00 0.00 60.65 58.05 1vxb h LYS 50 Cb 0.99 0.13 0.12 0.00 -1.58 0.00 0.00 32.23 31.89 1vxb h LYS 50 CO 1.02 -0.39 0.24 0.95 -1.08 0.00 0.00 179.45 180.19 1vxb s THR 51 N -3.93 2.01 -0.13 -0.16 -4.23 -1.26 -5.03 115.64 102.90 1vxb s THR 51 Ca -0.09 -0.38 0.17 0.00 -1.18 0.00 0.00 61.69 60.21 1vxb s THR 51 Cb 0.01 -2.62 -0.23 0.00 1.34 0.00 0.00 72.50 70.99 1vxb s THR 51 CO 0.26 0.00 0.40 1.21 -0.54 0.00 0.00 174.62 175.96 1vxb n GLU 52 N -3.27 0.66 0.01 3.99 2.13 -1.26 -3.24 120.64 119.66 1vxb n GLU 52 Ca 0.17 0.07 -0.12 0.00 0.66 0.00 0.00 57.16 57.94 1vxb n GLU 52 Cb 0.60 -1.63 -0.05 0.00 0.27 0.00 0.00 31.44 30.63 1vxb n GLU 52 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1vxb h ALA 53 N 1.24 -0.50 -0.52 4.31 0.00 -2.01 -2.50 119.26 119.29 1vxb h ALA 53 Ca -0.34 0.00 0.15 0.00 0.00 0.00 0.00 54.91 54.72 1vxb h ALA 53 Cb 1.88 0.70 -0.02 0.00 0.00 0.00 0.00 17.79 20.35 1vxb h ALA 53 CO 0.04 -0.87 0.54 0.93 0.00 0.00 0.00 179.25 179.89 1vxb h GLU 54 N -0.46 0.00 0.00 0.00 5.08 -1.95 -1.27 114.58 115.97 1vxb h GLU 54 Ca 0.08 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1vxb h GLU 54 Cb 0.59 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1vxb h GLU 54 CO -0.37 0.00 -1.47 -0.12 -1.00 0.00 0.00 179.01 176.05 1vxb n MET 55 N -3.70 0.63 -0.02 2.33 1.56 -0.98 -2.55 117.12 114.38 1vxb n MET 55 Ca 0.10 0.01 -0.18 0.00 -0.27 0.00 0.00 57.70 57.36 1vxb n MET 55 Cb 0.75 -1.70 -0.14 0.00 2.15 0.00 0.00 33.22 34.28 1vxb n MET 55 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 1vxb n LYS 56 N -2.56 0.72 0.11 2.12 5.02 -0.51 -4.39 118.16 118.67 1vxb n LYS 56 Ca -0.04 0.24 -0.15 0.00 -2.02 0.00 0.00 58.31 56.34 1vxb n LYS 56 Cb 0.62 -1.69 -0.08 0.00 -0.02 0.00 0.00 35.03 33.87 1vxb n LYS 56 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1vxb h ALA 57 N 0.27 -0.78 -1.28 7.82 0.00 -1.44 -3.44 119.26 120.41 1vxb h ALA 57 Ca -0.43 -0.08 -0.81 0.00 0.00 0.00 0.00 54.91 53.60 1vxb h ALA 57 Cb 2.02 0.75 0.01 0.00 0.00 0.00 0.00 17.79 20.57 1vxb h ALA 57 CO 0.06 -1.01 0.80 0.45 0.00 0.00 0.00 179.25 179.55 1vxb n SER 58 N -5.47 1.82 0.08 0.00 2.88 -1.06 -4.85 113.62 107.02 1vxb n SER 58 Ca -0.07 1.13 0.11 0.00 -1.33 0.00 0.00 58.87 58.71 1vxb n SER 58 Cb 0.39 -1.01 -0.01 0.00 -0.75 0.00 0.00 64.21 62.83 1vxb n SER 58 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1vxb n GLU 59 N 4.72 0.56 -0.03 -1.46 4.07 -1.26 -4.17 120.64 123.07 1vxb n GLU 59 Ca 0.29 0.07 -0.09 0.00 -0.06 0.00 0.00 57.16 57.37 1vxb n GLU 59 Cb 0.04 -1.76 0.07 0.00 -0.06 0.00 0.00 31.44 29.73 1vxb n GLU 59 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 1vxb h ASP 60 N 0.00 0.68 0.02 4.31 3.58 -1.99 -3.06 116.42 119.96 1vxb h ASP 60 Ca 0.00 -0.32 0.03 0.00 0.42 0.00 0.00 57.03 57.16 1vxb h ASP 60 Cb 0.96 -0.19 -0.05 0.00 1.72 0.00 0.00 39.33 41.76 1vxb h ASP 60 CO 0.00 1.02 -0.43 0.25 -2.88 0.00 0.00 179.24 177.20 1vxb h LEU 61 N 0.51 -1.30 -0.86 2.28 5.85 -1.94 -0.75 115.31 119.11 1vxb h LEU 61 Ca 0.04 0.15 0.22 0.00 0.84 0.00 0.00 57.88 59.13 1vxb h LEU 61 Cb 0.96 0.50 -0.15 0.00 0.37 0.00 0.00 40.66 42.34 1vxb h LEU 61 CO 0.09 -0.47 0.06 0.50 -0.34 0.00 0.00 178.44 178.28 1vxb h LYS 62 N -0.60 0.10 0.00 1.25 3.64 -1.71 0.98 116.57 120.22 1vxb h LYS 62 Ca 0.04 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1vxb h LYS 62 Cb 0.67 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1vxb h LYS 62 CO -0.31 0.07 -0.44 0.36 -2.27 0.00 0.00 179.45 176.85 1vxb n LYS 63 N -5.36 0.07 -0.07 1.90 -0.00 -0.89 -0.87 118.16 112.94 1vxb n LYS 63 Ca 0.18 0.02 -0.14 0.00 -0.00 0.00 0.00 58.31 58.38 1vxb n LYS 63 Cb 0.60 -1.55 -0.02 0.00 -0.00 0.00 0.00 35.03 34.07 1vxb n LYS 63 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1vxb h HIS 64 N 0.00 1.03 -0.72 5.58 2.76 0.36 -3.10 115.15 121.07 1vxb h HIS 64 Ca 0.00 -0.36 0.11 0.00 -2.20 0.00 0.00 60.37 57.92 1vxb h HIS 64 Cb 0.56 -0.20 -0.05 0.00 1.55 0.00 0.00 27.41 29.27 1vxb h HIS 64 CO 0.00 1.17 0.48 0.78 -1.30 0.00 0.00 177.93 179.06 1vxb h GLY 65 N 0.77 0.79 1.46 5.26 0.00 0.29 1.07 103.07 112.71 1vxb h GLY 65 Ca 0.02 -0.22 -0.28 0.00 0.00 0.00 0.00 47.33 46.85 1vxb h GLY 65 CO 0.12 0.11 -1.37 -2.08 0.00 0.00 0.00 176.54 173.31 1vxb h VAL 66 N 0.53 1.34 0.81 4.60 2.07 -1.40 -3.00 116.25 121.20 1vxb h VAL 66 Ca 0.34 -2.96 -0.04 0.00 0.82 0.00 0.00 66.70 64.87 1vxb h VAL 66 Cb 0.61 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 33.22 1vxb h VAL 66 CO -0.12 0.85 -0.42 0.74 0.02 0.00 0.00 177.57 178.65 1vxb h THR 67 N 0.06 0.15 -0.53 2.57 2.02 0.11 0.68 112.91 117.98 1vxb h THR 67 Ca -0.18 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.11 1vxb h THR 67 Cb 1.98 0.15 -0.10 0.00 -1.74 0.00 0.00 68.15 68.44 1vxb h THR 67 CO 0.17 0.00 -0.18 0.58 0.37 0.00 0.00 175.52 176.46 1vxb h VAL 68 N -1.13 0.39 -0.00 3.16 2.07 -0.90 -1.64 116.25 118.20 1vxb h VAL 68 Ca -0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1vxb h VAL 68 Cb 0.88 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1vxb h VAL 68 CO 0.16 0.00 -0.03 0.18 0.02 0.00 0.00 177.57 177.90 1vxb n LEU 69 N -5.40 0.14 -0.04 2.57 4.77 -0.98 -1.39 117.00 116.67 1vxb n LEU 69 Ca 0.05 0.18 -0.14 0.00 -0.03 0.00 0.00 56.01 56.06 1vxb n LEU 69 Cb 0.31 -0.23 -0.12 0.00 -2.33 0.00 0.00 43.42 41.05 1vxb n LEU 69 CO 0.08 0.03 0.45 0.74 -1.33 0.00 0.00 177.39 177.35 1vxb h THR 70 N 0.16 1.62 -0.48 -5.08 2.02 0.09 -2.04 112.91 109.20 1vxb h THR 70 Ca 0.00 -1.94 0.05 0.00 0.77 0.00 0.00 66.41 65.30 1vxb h THR 70 Cb 0.28 2.90 -0.05 0.00 -1.74 0.00 0.00 68.15 69.54 1vxb h THR 70 CO 0.00 0.51 0.20 0.00 0.37 0.00 0.00 175.52 176.60 1vxb h ALA 71 N 0.21 0.60 -0.63 6.16 0.00 -0.92 -1.19 119.26 123.48 1vxb h ALA 71 Ca -0.01 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1vxb h ALA 71 Cb 0.89 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1vxb h ALA 71 CO 0.02 -0.17 0.30 1.25 0.00 0.00 0.00 179.25 180.65 1vxb h LEU 72 N 0.40 0.83 -0.55 0.00 5.85 -1.34 -2.69 115.31 117.81 1vxb h LEU 72 Ca 0.22 -0.13 0.08 0.00 0.84 0.00 0.00 57.88 58.89 1vxb h LEU 72 Cb 0.19 -0.21 -0.10 0.00 0.37 0.00 0.00 40.66 40.91 1vxb h LEU 72 CO -0.20 0.73 -0.47 1.23 -0.34 0.00 0.00 178.44 179.39 1vxb h GLY 73 N 0.87 -0.62 1.01 3.75 0.00 -0.47 -1.89 103.07 105.72 1vxb h GLY 73 Ca 0.22 0.62 -0.02 0.00 0.00 0.00 0.00 47.33 48.15 1vxb h GLY 73 CO -0.03 -0.14 0.38 0.00 0.00 0.00 0.00 176.54 176.75 1vxb h ALA 74 N 0.44 0.90 -0.80 3.60 0.00 -1.13 -0.25 119.26 122.02 1vxb h ALA 74 Ca 0.15 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.03 1vxb h ALA 74 Cb 0.57 -0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 1vxb h ALA 74 CO -0.68 0.43 0.46 0.82 0.00 0.00 0.00 179.25 180.28 1vxb h ILE 75 N 0.97 0.94 0.31 0.00 2.04 -1.48 -3.21 117.51 117.08 1vxb h ILE 75 Ca 0.25 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 1vxb h ILE 75 Cb 0.05 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.21 1vxb h ILE 75 CO -0.04 0.15 -0.15 -0.07 0.00 0.00 0.00 178.15 178.04 1vxb h LEU 76 N 0.80 -0.35 -1.71 1.44 3.38 -0.20 -1.90 115.31 116.76 1vxb h LEU 76 Ca 0.38 -0.19 0.53 0.00 0.09 0.00 0.00 57.88 58.69 1vxb h LEU 76 Cb 0.30 0.09 -0.11 0.00 0.09 0.00 0.00 40.66 41.04 1vxb h LEU 76 CO -0.22 0.06 1.18 0.29 0.09 0.00 0.00 178.44 179.84 1vxb n LYS 77 N -5.10 -0.02 -0.33 1.13 4.01 -0.87 0.23 118.16 117.21 1vxb n LYS 77 Ca -0.09 1.17 0.02 0.00 -0.51 0.00 0.00 58.31 58.89 1vxb n LYS 77 Cb 0.27 -2.49 0.14 0.00 -0.51 0.00 0.00 35.03 32.44 1vxb n LYS 77 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1vxb n LYS 78 N -4.30 2.36 0.00 1.97 4.76 -0.71 -4.91 118.16 117.33 1vxb n LYS 78 Ca 0.43 -1.13 0.00 0.00 -2.87 0.00 0.00 58.31 54.74 1vxb n LYS 78 Cb 1.82 -1.76 0.00 0.00 -1.84 0.00 0.00 35.03 33.25 1vxb n LYS 78 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1vxb n LYS 79 N 0.21 0.00 0.00 1.97 2.85 0.63 -0.24 118.16 123.58 1vxb n LYS 79 Ca 0.11 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.37 1vxb n LYS 79 Cb 0.61 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.99 1vxb n LYS 79 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1vxb n GLY 80 N 0.00 2.78 2.80 2.58 0.00 -1.26 -4.72 105.19 107.37 1vxb n GLY 80 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1vxb n GLY 80 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1vxb s HIS 81 N -2.68 2.67 -0.07 1.61 3.76 0.67 -4.90 115.29 116.34 1vxb s HIS 81 Ca 0.00 -2.88 0.11 0.00 -0.15 0.00 0.00 55.06 52.14 1vxb s HIS 81 Cb 0.00 -2.28 0.16 0.00 1.11 0.00 0.00 32.58 31.57 1vxb s HIS 81 CO 0.00 -0.71 1.08 -2.39 -0.85 0.00 0.00 174.74 171.87 1vxb n HIS 82 N 2.93 0.00 1.49 1.40 1.44 -1.24 -4.62 115.22 116.62 1vxb n HIS 82 Ca 0.13 -0.56 0.00 0.00 -2.01 0.00 0.00 57.72 55.28 1vxb n HIS 82 Cb 0.35 -0.11 0.01 0.00 0.12 0.00 0.00 29.99 30.37 1vxb n HIS 82 CO 0.00 0.00 0.00 -0.85 -2.81 0.00 0.00 176.34 172.68 1vxb n GLU 83 N -0.78 1.10 0.00 -1.40 0.00 -1.26 -1.47 120.64 116.83 1vxb n GLU 83 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 57.16 57.14 1vxb n GLU 83 Cb 0.67 -1.24 0.00 0.00 0.00 0.00 0.00 31.44 30.87 1vxb n GLU 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1vxb n ALA 84 N -0.23 1.16 0.04 -1.84 0.00 -1.26 -4.37 120.51 114.01 1vxb n ALA 84 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.38 1vxb n ALA 84 Cb 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.47 1vxb n ALA 84 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1vxb h GLU 85 N 0.00 0.00 -0.03 0.00 3.07 -1.65 -3.39 114.58 112.59 1vxb h GLU 85 Ca 0.00 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.66 1vxb h GLU 85 Cb 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1vxb h GLU 85 CO 0.00 0.80 -0.85 1.25 -1.40 0.00 0.00 179.01 178.81 1vxb h LEU 86 N 0.00 0.44 -0.20 1.33 5.85 -1.56 -3.39 115.31 117.78 1vxb h LEU 86 Ca -0.09 -0.33 0.01 0.00 0.84 0.00 0.00 57.88 58.31 1vxb h LEU 86 Cb 1.81 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.69 1vxb h LEU 86 CO 0.11 1.10 0.11 0.11 -0.34 0.00 0.00 178.44 179.54 1vxb h LYS 87 N 0.21 0.23 -1.01 1.25 1.57 -1.76 0.71 116.57 117.77 1vxb h LYS 87 Ca -0.05 -0.01 0.31 0.00 -1.87 0.00 0.00 60.65 59.02 1vxb h LYS 87 Cb 1.46 -0.05 -0.14 0.00 0.08 0.00 0.00 32.23 33.57 1vxb h LYS 87 CO 0.14 0.15 0.59 -1.35 -0.57 0.00 0.00 179.45 178.41 1vxb h PRO 88 N 0.24 0.35 0.00 3.15 0.11 -1.85 -0.58 132.00 133.42 1vxb h PRO 88 Ca 0.08 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.14 1vxb h PRO 88 Cb -0.01 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.02 1vxb h PRO 88 CO -0.04 0.23 -0.16 1.25 -0.21 0.00 0.00 178.00 179.08 1vxb h LEU 89 N 0.37 0.00 -0.37 2.35 5.85 -1.23 -2.53 115.31 119.75 1vxb h LEU 89 Ca 0.72 -0.60 0.05 0.00 0.84 0.00 0.00 57.88 58.90 1vxb h LEU 89 Cb 1.62 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.57 1vxb h LEU 89 CO -0.57 0.89 -0.52 0.00 -0.34 0.00 0.00 178.44 177.90 1vxb h ALA 90 N -0.40 -0.69 -0.19 1.25 0.00 -1.02 0.83 119.26 119.04 1vxb h ALA 90 Ca -0.04 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1vxb h ALA 90 Cb 0.71 1.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.51 1vxb h ALA 90 CO -0.02 -1.00 -0.11 1.04 0.00 0.00 0.00 179.25 179.15 1vxb n GLN 91 N -5.40 -0.09 0.12 0.00 3.00 -0.23 -1.45 117.38 113.34 1vxb n GLN 91 Ca -0.03 1.06 -0.03 0.00 -0.01 0.00 0.00 57.00 57.99 1vxb n GLN 91 Cb 0.35 -1.58 0.14 0.00 0.00 0.00 0.00 30.24 29.15 1vxb n GLN 91 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1vxb h SER 92 N 0.00 0.08 -0.58 1.08 4.64 -1.37 0.11 113.55 117.52 1vxb h SER 92 Ca 0.03 -0.05 0.03 0.00 -0.47 0.00 0.00 61.79 61.33 1vxb h SER 92 Cb 0.08 -0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 62.11 1vxb h SER 92 CO -0.18 0.70 0.34 0.45 -0.87 0.00 0.00 176.83 177.26 1vxb h HIS 93 N 0.05 0.63 0.04 4.77 3.86 -0.66 0.67 115.15 124.51 1vxb h HIS 93 Ca -0.01 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1vxb h HIS 93 Cb 1.14 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 29.40 1vxb h HIS 93 CO 0.01 0.35 -0.02 0.00 0.86 0.00 0.00 177.93 179.13 1vxb h ALA 94 N 1.27 -0.05 0.06 2.45 0.00 -1.05 0.23 119.26 122.16 1vxb h ALA 94 Ca 0.24 -0.29 -0.38 0.00 0.00 0.00 0.00 54.91 54.48 1vxb h ALA 94 Cb 0.06 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1vxb h ALA 94 CO -0.12 -0.22 -2.24 0.25 0.00 0.00 0.00 179.25 176.92 1vxb n THR 95 N -4.83 1.63 0.04 0.00 -2.24 0.38 -2.99 114.28 106.27 1vxb n THR 95 Ca -0.09 -0.60 -0.21 0.00 -2.27 0.00 0.00 64.05 60.89 1vxb n THR 95 Cb 0.30 -1.58 -0.14 0.00 -2.10 0.00 0.00 70.33 66.80 1vxb n THR 95 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1vxb h LYS 96 N 0.01 0.28 0.00 -0.78 1.57 0.11 -3.39 116.57 114.37 1vxb h LYS 96 Ca -0.51 -0.48 -0.28 0.00 -1.87 0.00 0.00 60.65 57.51 1vxb h LYS 96 Cb 1.95 0.18 -0.05 0.00 0.08 0.00 0.00 32.23 34.39 1vxb h LYS 96 CO -0.01 1.23 -2.25 0.72 -0.57 0.00 0.00 179.45 178.57 1vxb n HIS 97 N -4.05 0.06 -2.35 -1.35 8.25 -0.18 -5.01 115.22 110.59 1vxb n HIS 97 Ca -0.18 0.02 -0.06 0.00 -0.26 0.00 0.00 57.72 57.24 1vxb n HIS 97 Cb 0.86 -0.90 0.03 0.00 1.12 0.00 0.00 29.99 31.09 1vxb n HIS 97 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1vxb n LYS 98 N -2.66 -1.03 -3.78 -0.41 4.76 0.65 -5.00 118.16 110.69 1vxb n LYS 98 Ca -0.26 0.52 -0.36 0.00 -2.87 0.00 0.00 58.31 55.35 1vxb n LYS 98 Cb 1.02 -3.63 -0.13 0.00 -1.84 0.00 0.00 35.03 30.45 1vxb n LYS 98 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1vxb s ILE 99 N -3.16 4.10 0.15 -0.18 -1.09 -0.33 -5.02 121.20 115.67 1vxb s ILE 99 Ca 0.19 -0.29 -0.07 0.00 -2.23 0.00 0.00 60.65 58.24 1vxb s ILE 99 Cb -0.02 -2.93 -0.06 0.00 -1.58 0.00 0.00 42.46 37.87 1vxb s ILE 99 CO 0.37 0.32 0.02 -2.65 -1.23 0.00 0.00 174.94 171.77 1vxb n PRO 100 N 4.90 0.00 0.08 2.79 -0.01 -1.26 -4.66 135.00 136.83 1vxb n PRO 100 Ca -0.16 0.00 0.12 0.00 -0.01 0.00 0.00 63.50 63.45 1vxb n PRO 100 Cb 0.51 -0.36 0.22 0.00 -0.01 0.00 0.00 33.50 33.86 1vxb n PRO 100 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 175.50 176.31 1vxb h ILE 101 N 0.10 0.00 0.00 4.25 1.08 -1.92 -3.23 117.51 117.79 1vxb h ILE 101 Ca -0.13 -0.53 -0.12 0.00 -0.39 0.00 0.00 64.86 63.68 1vxb h ILE 101 Cb 0.52 1.23 -0.02 0.00 -3.07 0.00 0.00 36.82 35.48 1vxb h ILE 101 CO 0.17 0.00 -0.58 0.07 -0.69 0.00 0.00 178.15 177.11 1vxb h LYS 102 N 0.00 0.00 0.00 2.37 2.10 -1.89 -2.71 116.57 116.44 1vxb h LYS 102 Ca 0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.58 1vxb h LYS 102 Cb 0.77 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.09 1vxb h LYS 102 CO 0.00 0.58 -0.33 1.88 -2.00 0.00 0.00 179.45 179.58 1vxb h TYR 103 N 0.00 0.00 0.00 0.07 0.05 -1.93 -0.01 116.97 115.15 1vxb h TYR 103 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1vxb h TYR 103 Cb 1.43 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.17 1vxb h TYR 103 CO 0.00 0.33 0.00 1.28 -1.05 0.00 0.00 178.16 178.72 1vxb n LEU 104 N -3.32 0.00 -0.10 3.88 4.77 -1.13 -0.24 117.00 120.86 1vxb n LEU 104 Ca 0.01 0.28 -0.23 0.00 -0.03 0.00 0.00 56.01 56.04 1vxb n LEU 104 Cb 0.57 -0.28 -0.12 0.00 -2.33 0.00 0.00 43.42 41.27 1vxb n LEU 104 CO 0.37 -0.05 -0.74 1.21 -1.33 0.00 0.00 177.39 176.84 1vxb n GLU 105 N -1.28 0.59 -0.24 3.23 0.00 -0.13 -3.37 120.64 119.45 1vxb n GLU 105 Ca 0.12 0.48 -0.01 0.00 0.00 0.00 0.00 57.16 57.74 1vxb n GLU 105 Cb 0.19 -1.69 0.06 0.00 0.00 0.00 0.00 31.44 29.99 1vxb n GLU 105 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.13 177.87 1vxb h PHE 106 N -0.86 -0.59 -0.83 4.31 0.04 -1.01 0.16 116.94 118.16 1vxb h PHE 106 Ca -0.43 0.07 -0.01 0.00 2.80 0.00 0.00 57.97 60.40 1vxb h PHE 106 Cb 1.46 0.36 -0.04 0.00 2.20 0.00 0.00 35.95 39.93 1vxb h PHE 106 CO 0.06 -0.34 0.46 0.97 -0.60 0.00 0.00 178.31 178.86 1vxb h ILE 107 N -0.06 1.24 0.00 -0.55 2.10 -0.79 0.49 117.51 119.94 1vxb h ILE 107 Ca 0.31 -0.59 -0.06 0.00 1.08 0.00 0.00 64.86 65.60 1vxb h ILE 107 Cb 0.54 0.11 -0.01 0.00 -1.09 0.00 0.00 36.82 36.38 1vxb h ILE 107 CO -0.73 0.27 -0.28 0.28 -1.08 0.00 0.00 178.15 176.60 1vxb h SER 108 N 1.15 0.00 0.24 2.19 0.02 -1.40 -1.79 113.55 113.96 1vxb h SER 108 Ca 0.29 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.23 1vxb h SER 108 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1vxb h SER 108 CO -0.05 0.28 -0.11 -0.33 -1.14 0.00 0.00 176.83 175.48 1vxb h GLU 109 N 0.00 -0.30 -0.88 3.45 5.08 0.19 -3.28 114.58 118.84 1vxb h GLU 109 Ca -0.00 0.02 0.19 0.00 -1.00 0.00 0.00 59.36 58.56 1vxb h GLU 109 Cb 0.80 0.07 -0.11 0.00 0.50 0.00 0.00 28.75 30.01 1vxb h GLU 109 CO 0.04 0.05 0.42 0.00 -1.00 0.00 0.00 179.01 178.52 1vxb h ALA 110 N -0.50 1.38 -0.68 3.43 0.00 -0.75 -1.34 119.26 120.80 1vxb h ALA 110 Ca -0.03 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1vxb h ALA 110 Cb 0.49 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1vxb h ALA 110 CO 0.05 -0.21 0.00 -0.89 0.00 0.00 0.00 179.25 178.20 1vxb n ILE 111 N -4.95 0.00 -0.30 0.00 -0.00 -0.70 -2.46 119.36 110.95 1vxb n ILE 111 Ca 0.20 1.39 0.11 0.00 -0.00 0.00 0.00 62.75 64.44 1vxb n ILE 111 Cb 0.55 -2.12 0.27 0.00 -0.00 0.00 0.00 39.64 38.34 1vxb n ILE 111 CO 0.00 0.00 0.00 0.40 -0.00 0.00 0.00 176.55 176.95 1vxb h ILE 112 N 0.00 0.54 -0.87 1.39 2.04 -1.57 1.32 117.51 120.35 1vxb h ILE 112 Ca 0.00 -0.15 0.25 0.00 1.00 0.00 0.00 64.86 65.96 1vxb h ILE 112 Cb 0.00 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.11 1vxb h ILE 112 CO 0.00 0.08 0.75 -0.74 0.00 0.00 0.00 178.15 178.24 1vxb h HIS 113 N 0.44 0.00 0.00 1.37 2.76 -1.16 -2.46 115.15 116.09 1vxb h HIS 113 Ca 0.52 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.69 1vxb h HIS 113 Cb 0.92 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.88 1vxb h HIS 113 CO -0.14 0.00 -1.23 0.28 -1.30 0.00 0.00 177.93 175.54 1vxb n VAL 114 N -3.87 0.00 1.08 5.26 0.31 0.44 -3.83 118.33 117.71 1vxb n VAL 114 Ca 0.18 -0.25 0.13 0.00 -0.01 0.00 0.00 64.34 64.39 1vxb n VAL 114 Cb 1.05 0.46 0.43 0.00 -0.91 0.00 0.00 33.84 34.87 1vxb n VAL 114 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1vxb n LEU 115 N -1.71 0.38 -0.04 7.52 4.32 -0.39 -1.49 117.00 125.59 1vxb n LEU 115 Ca -0.01 0.13 -0.14 0.00 -0.02 0.00 0.00 56.01 55.98 1vxb n LEU 115 Cb 0.26 -0.30 -0.12 0.00 -1.62 0.00 0.00 43.42 41.64 1vxb n LEU 115 CO 0.23 0.09 0.49 -0.74 -1.22 0.00 0.00 177.39 176.24 1vxb h HIS 116 N 0.17 0.03 0.00 -1.77 2.76 -1.64 -3.10 115.15 111.60 1vxb h HIS 116 Ca 0.00 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1vxb h HIS 116 Cb 0.48 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.43 1vxb h HIS 116 CO 0.00 0.79 0.00 0.43 -1.30 0.00 0.00 177.93 177.85 1vxb n SER 117 N -4.70 0.00 -1.91 3.26 7.64 -1.19 -3.14 113.62 113.58 1vxb n SER 117 Ca -0.09 0.99 -0.19 0.00 1.01 0.00 0.00 58.87 60.59 1vxb n SER 117 Cb 0.39 -0.49 0.08 0.00 -1.01 0.00 0.00 64.21 63.18 1vxb n SER 117 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1vxb n ARG 118 N -2.72 1.94 -0.51 1.43 1.74 -0.56 -4.28 116.66 113.70 1vxb n ARG 118 Ca 0.00 -1.98 -0.02 0.00 -0.77 0.00 0.00 57.85 55.09 1vxb n ARG 118 Cb 0.00 -1.78 -0.02 0.00 -1.02 0.00 0.00 32.46 29.65 1vxb n ARG 118 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1vxb n HIS 119 N -0.22 0.00 0.00 -1.55 8.25 -1.17 -4.97 115.22 115.56 1vxb n HIS 119 Ca 0.38 -0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.73 1vxb n HIS 119 Cb 0.86 0.28 0.00 0.00 1.12 0.00 0.00 29.99 32.25 1vxb n HIS 119 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1vxb n PRO 120 N 0.00 0.00 0.00 -0.41 -0.02 -1.23 -0.55 135.00 132.78 1vxb n PRO 120 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 1vxb n PRO 120 Cb 0.32 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.80 1vxb n PRO 120 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vxb n GLY 121 N 0.00 0.00 0.00 -1.23 0.00 -1.26 0.81 105.19 103.51 1vxb n GLY 121 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1vxb n GLY 121 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vxb n ASP 122 N 0.03 3.01 -2.38 1.61 8.00 -1.08 -4.80 116.55 120.94 1vxb n ASP 122 Ca 0.00 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.21 1vxb n ASP 122 Cb 0.00 0.34 0.03 0.00 -0.02 0.00 0.00 41.12 41.47 1vxb n ASP 122 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1vxb n PHE 123 N -1.35 2.37 -0.61 1.24 7.35 0.24 -4.55 117.46 122.16 1vxb n PHE 123 Ca 0.00 -2.36 0.00 0.00 -0.76 0.00 0.00 57.45 54.33 1vxb n PHE 123 Cb 0.27 -1.25 0.00 0.00 0.35 0.00 0.00 39.48 38.84 1vxb n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1vxb n GLY 124 N -0.10 -1.82 0.00 7.13 0.00 -1.12 -4.63 105.19 104.65 1vxb n GLY 124 Ca 0.49 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1vxb n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vxb n ALA 125 N -3.00 0.00 0.07 4.61 0.00 -1.26 -1.16 120.51 119.77 1vxb n ALA 125 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.64 1vxb n ALA 125 Cb 0.00 0.20 0.74 0.00 0.00 0.00 0.00 19.45 20.40 1vxb n ALA 125 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1vxb h ASP 126 N 0.00 0.00 0.04 0.00 5.19 -1.93 1.83 116.42 121.56 1vxb h ASP 126 Ca 0.00 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.20 1vxb h ASP 126 Cb 0.00 0.00 0.02 0.00 0.18 0.00 0.00 39.33 39.53 1vxb h ASP 126 CO 0.00 0.00 -0.83 0.00 -3.12 0.00 0.00 179.24 175.29 1vxb h ALA 127 N 1.63 0.04 0.00 3.45 0.00 -1.74 -2.89 119.26 119.75 1vxb h ALA 127 Ca 0.21 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1vxb h ALA 127 Cb 0.99 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1vxb h ALA 127 CO -0.00 0.47 -0.08 0.37 0.00 0.00 0.00 179.25 180.02 1vxb h GLN 128 N 0.01 0.00 0.01 0.00 4.15 0.43 -0.05 115.11 119.66 1vxb h GLN 128 Ca -0.12 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.27 1vxb h GLN 128 Cb 1.54 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.24 1vxb h GLN 128 CO 0.16 0.08 -0.13 0.78 -1.93 0.00 0.00 178.83 177.79 1vxb h GLY 129 N 0.42 0.08 0.97 2.39 0.00 -1.01 -2.47 103.07 103.45 1vxb h GLY 129 Ca -0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 1vxb h GLY 129 CO 0.01 0.14 -0.30 0.00 0.00 0.00 0.00 176.54 176.39 1vxb h ALA 130 N 0.14 -0.85 -0.95 3.60 0.00 -1.52 -2.97 119.26 116.71 1vxb h ALA 130 Ca -0.02 -0.19 0.26 0.00 0.00 0.00 0.00 54.91 54.96 1vxb h ALA 130 Cb 0.98 0.33 -0.18 0.00 0.00 0.00 0.00 17.79 18.92 1vxb h ALA 130 CO 0.03 -0.95 0.02 -0.12 0.00 0.00 0.00 179.25 178.22 1vxb n MET 131 N -5.44 -0.08 0.08 0.00 0.00 -0.04 -0.82 117.12 110.83 1vxb n MET 131 Ca -0.13 1.43 -0.02 0.00 0.00 0.00 0.00 57.70 58.97 1vxb n MET 131 Cb 0.35 -2.27 0.22 0.00 0.00 0.00 0.00 33.22 31.52 1vxb n MET 131 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 175.97 175.00 1vxb h ASN 132 N 0.00 0.28 0.28 6.12 -1.24 -1.51 -2.43 115.58 117.09 1vxb h ASN 132 Ca 0.58 -0.12 -0.01 0.00 0.71 0.00 0.00 56.30 57.46 1vxb h ASN 132 Cb 1.19 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 40.17 1vxb h ASN 132 CO -0.90 0.66 -0.14 0.11 -1.29 0.00 0.00 177.43 175.88 1vxb h LYS 133 N 0.23 -0.37 0.00 6.67 1.57 -0.80 0.15 116.57 124.02 1vxb h LYS 133 Ca 0.02 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1vxb h LYS 133 Cb 0.81 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.20 1vxb h LYS 133 CO 0.06 -0.23 0.00 0.00 -0.57 0.00 0.00 179.45 178.71 1vxb n ALA 134 N -2.26 1.84 -0.04 3.86 0.00 -0.00 0.35 120.51 124.24 1vxb n ALA 134 Ca -0.10 -0.06 -0.21 0.00 0.00 0.00 0.00 53.44 53.07 1vxb n ALA 134 Cb 0.18 -1.30 -0.13 0.00 0.00 0.00 0.00 19.45 18.19 1vxb n ALA 134 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1vxb n LEU 135 N -1.53 2.60 -0.31 0.00 4.77 -0.95 -2.79 117.00 118.78 1vxb n LEU 135 Ca 0.04 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1vxb n LEU 135 Cb 0.22 -1.04 0.07 0.00 -2.33 0.00 0.00 43.42 40.33 1vxb n LEU 135 CO 0.17 0.80 0.64 -0.08 -1.33 0.00 0.00 177.39 177.59 1vxb h GLU 136 N -0.12 -0.04 -0.75 3.23 4.81 0.25 0.21 114.58 122.18 1vxb h GLU 136 Ca -0.47 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.74 1vxb h GLU 136 Cb 1.90 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 31.25 1vxb h GLU 136 CO -0.01 -0.02 0.35 1.25 -0.73 0.00 0.00 179.01 179.84 1vxb h LEU 137 N -0.04 0.99 -0.50 1.64 5.85 -0.27 -1.26 115.31 121.73 1vxb h LEU 137 Ca 0.36 -0.14 0.08 0.00 0.84 0.00 0.00 57.88 59.02 1vxb h LEU 137 Cb 0.61 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 1vxb h LEU 137 CO -0.88 0.85 0.13 0.15 -0.34 0.00 0.00 178.44 178.35 1vxb h PHE 138 N 1.05 0.21 0.00 1.25 3.57 -1.01 -1.50 116.94 120.51 1vxb h PHE 138 Ca 0.26 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.64 1vxb h PHE 138 Cb 0.13 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 1vxb h PHE 138 CO 0.01 0.03 -0.70 0.07 -2.23 0.00 0.00 178.31 175.49 1vxb h ARG 139 N 0.27 0.00 -0.15 1.11 0.11 0.49 -0.19 114.38 116.03 1vxb h ARG 139 Ca 0.25 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.30 1vxb h ARG 139 Cb 0.31 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.38 1vxb h ARG 139 CO -0.30 0.70 0.01 1.57 0.10 0.00 0.00 179.97 182.05 1vxb h LYS 140 N 0.00 0.26 -0.78 0.08 5.09 -1.18 1.06 116.57 121.10 1vxb h LYS 140 Ca -0.01 -0.08 0.04 0.00 0.09 0.00 0.00 60.65 60.69 1vxb h LYS 140 Cb 1.29 -0.03 -0.05 0.00 0.10 0.00 0.00 32.23 33.54 1vxb h LYS 140 CO 0.09 0.47 0.49 -0.44 -2.09 0.00 0.00 179.45 177.97 1vxb h ASP 141 N 0.02 0.80 0.10 7.07 5.19 -1.19 -0.19 116.42 128.20 1vxb h ASP 141 Ca 0.04 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.45 1vxb h ASP 141 Cb 0.35 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.69 1vxb h ASP 141 CO 0.01 0.54 -0.05 0.40 -3.12 0.00 0.00 179.24 177.02 1vxb h ILE 142 N 0.94 0.91 -0.61 0.35 5.03 0.16 -2.16 117.51 122.13 1vxb h ILE 142 Ca 0.32 -0.03 0.03 0.00 -0.12 0.00 0.00 64.86 65.06 1vxb h ILE 142 Cb 0.06 0.94 -0.03 0.00 -3.03 0.00 0.00 36.82 34.75 1vxb h ILE 142 CO -0.13 0.01 0.40 0.00 -0.68 0.00 0.00 178.15 177.75 1vxb h ALA 143 N 0.75 1.68 0.00 1.87 0.00 0.19 -2.31 119.26 121.44 1vxb h ALA 143 Ca -0.01 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1vxb h ALA 143 Cb 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1vxb h ALA 143 CO 0.02 0.26 -0.55 0.00 0.00 0.00 0.00 179.25 178.99 1vxb h ALA 144 N 1.65 0.80 0.00 0.00 0.00 -0.39 -1.54 119.26 119.77 1vxb h ALA 144 Ca 0.24 -0.50 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 1vxb h ALA 144 Cb 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1vxb h ALA 144 CO -0.06 0.68 -0.44 0.87 0.00 0.00 0.00 179.25 180.30 1vxb h LYS 145 N 0.00 0.00 0.67 0.00 6.56 -1.22 -3.10 116.57 119.47 1vxb h LYS 145 Ca -0.01 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.55 1vxb h LYS 145 Cb 1.20 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.87 1vxb h LYS 145 CO 0.07 0.44 -0.32 1.88 -2.06 0.00 0.00 179.45 179.46 1vxb h TYR 146 N 0.00 -0.83 -0.59 -1.35 -1.99 -0.86 -2.65 116.97 108.69 1vxb h TYR 146 Ca -0.00 -0.02 0.05 0.00 2.00 0.00 0.00 58.73 60.76 1vxb h TYR 146 Cb 1.27 0.27 -0.07 0.00 2.00 0.00 0.00 36.73 40.21 1vxb h TYR 146 CO 0.00 -0.49 -0.35 1.17 -0.00 0.00 0.00 178.16 178.49 1vxb n LYS 147 N -5.44 -0.26 -0.09 4.88 4.81 -0.78 0.06 118.16 121.35 1vxb n LYS 147 Ca -0.13 1.17 -0.02 0.00 -0.87 0.00 0.00 58.31 58.45 1vxb n LYS 147 Cb 0.37 -1.72 -0.02 0.00 0.02 0.00 0.00 35.03 33.68 1vxb n LYS 147 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1vxb n GLU 148 N -4.38 -0.09 0.00 1.64 2.13 -1.17 0.16 120.64 118.92 1vxb n GLU 148 Ca 0.01 0.71 0.10 0.00 0.66 0.00 0.00 57.16 58.64 1vxb n GLU 148 Cb 0.15 -1.05 0.51 0.00 0.27 0.00 0.00 31.44 31.32 1vxb n GLU 148 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1vxb n LEU 149 N -3.33 0.00 -2.13 4.31 4.77 -1.00 -4.94 117.00 114.68 1vxb n LEU 149 Ca 0.00 0.33 -0.03 0.00 -0.03 0.00 0.00 56.01 56.28 1vxb n LEU 149 Cb 0.05 -0.33 0.01 0.00 -2.33 0.00 0.00 43.42 40.83 1vxb n LEU 149 CO -0.03 -0.10 0.07 0.61 -1.33 0.00 0.00 177.39 176.60 1vxb n GLY 150 N 0.52 -0.23 1.32 -0.72 0.00 0.43 -5.00 105.19 101.52 1vxb n GLY 150 Ca 0.09 0.05 0.01 0.00 0.00 0.00 0.00 46.02 46.17 1vxb n GLY 150 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1vxb n TYR 151 N -1.77 0.00 -1.76 1.61 4.02 0.11 -4.98 117.16 114.39 1vxb n TYR 151 Ca -0.01 -0.46 -0.19 0.00 -0.01 0.00 0.00 57.90 57.23 1vxb n TYR 151 Cb 0.53 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.78 1vxb n TYR 151 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 1vxb s GLN 152 N 0.00 1.93 0.00 -0.72 2.00 -1.22 -4.73 119.66 116.93 1vxb s GLN 152 Ca 0.24 0.10 0.00 0.00 -2.00 0.00 0.00 55.36 53.70 1vxb s GLN 152 Cb 0.28 -4.91 0.00 0.00 0.80 0.00 0.00 33.01 29.18 1vxb s GLN 152 CO -0.12 -4.13 0.00 0.41 -0.50 0.00 0.00 175.29 170.94