#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xcb n LEU 28 N 0.00 1.39 -4.64 3.17 4.77 -1.26 -5.00 117.00 115.43 2xcb n LEU 28 Ca 0.00 -0.44 -0.45 0.00 -0.03 0.00 0.00 56.01 55.09 2xcb n LEU 28 Cb 0.00 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 2xcb n LEU 28 CO 0.00 0.26 0.85 -2.11 -1.33 0.00 0.00 177.39 175.06 2xcb n ARG 29 N -0.42 1.77 -0.20 3.23 1.85 -1.26 -3.28 116.66 118.36 2xcb n ARG 29 Ca 0.11 0.63 0.00 0.00 -1.00 0.00 0.00 57.85 57.59 2xcb n ARG 29 Cb 0.39 -2.18 0.00 0.00 -1.05 0.00 0.00 32.46 29.62 2xcb n ARG 29 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2xcb n GLY 30 N 1.67 0.90 3.75 2.89 0.00 -1.26 -5.07 105.19 108.07 2xcb n GLY 30 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 2xcb n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2xcb s LEU 31 N 0.00 3.78 0.88 0.99 1.43 -1.20 -5.01 118.68 119.54 2xcb s LEU 31 Ca 0.00 2.53 -0.11 0.00 -1.03 0.00 0.00 54.13 55.52 2xcb s LEU 31 Cb 0.00 -4.43 0.12 0.00 0.03 0.00 0.00 46.19 41.91 2xcb s LEU 31 CO 0.00 -1.52 1.09 -0.94 0.23 0.00 0.00 176.35 175.21 2xcb s SER 32 N -1.31 3.63 0.31 2.29 1.04 -1.26 -4.80 113.70 113.60 2xcb s SER 32 Ca 0.74 1.53 0.01 0.00 0.48 0.00 0.00 55.95 58.71 2xcb s SER 32 Cb -0.34 -2.21 0.49 0.00 0.10 0.00 0.00 66.02 64.06 2xcb s SER 32 CO 0.39 -2.54 1.86 -0.08 0.98 0.00 0.00 173.24 173.85 2xcb h GLU 33 N -1.48 0.73 -0.38 4.02 4.57 -1.99 -1.42 114.58 118.63 2xcb h GLU 33 Ca -0.49 -0.14 -0.08 0.00 -1.18 0.00 0.00 59.36 57.48 2xcb h GLU 33 Cb 1.28 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.73 2xcb h GLU 33 CO 0.54 0.66 -0.10 0.22 -1.18 0.00 0.00 179.01 179.15 2xcb h ASP 34 N 0.71 0.65 -0.18 1.04 3.58 -1.99 0.14 116.42 120.36 2xcb h ASP 34 Ca 0.16 -0.18 -0.07 0.00 0.42 0.00 0.00 57.03 57.36 2xcb h ASP 34 Cb 0.26 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 41.13 2xcb h ASP 34 CO -0.00 0.79 -0.17 0.74 -2.88 0.00 0.00 179.24 177.71 2xcb h THR 35 N 0.61 1.33 -0.81 2.25 2.02 -1.85 -2.49 112.91 113.97 2xcb h THR 35 Ca 0.11 -1.32 0.17 0.00 0.77 0.00 0.00 66.41 66.14 2xcb h THR 35 Cb 0.54 1.78 -0.11 0.00 -1.74 0.00 0.00 68.15 68.62 2xcb h THR 35 CO 0.03 0.40 0.33 -0.07 0.37 0.00 0.00 175.52 176.58 2xcb h LEU 36 N 0.10 0.29 -0.73 2.58 3.38 -0.88 -0.02 115.31 120.02 2xcb h LEU 36 Ca 0.03 0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.13 2xcb h LEU 36 Cb 0.70 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 2xcb h LEU 36 CO 0.04 0.07 0.48 -0.08 0.09 0.00 0.00 178.44 179.04 2xcb h GLU 37 N 0.43 0.97 -0.09 1.13 4.57 -0.66 0.25 114.58 121.17 2xcb h GLU 37 Ca 0.47 -0.06 -0.11 0.00 -1.18 0.00 0.00 59.36 58.48 2xcb h GLU 37 Cb 0.78 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.14 2xcb h GLU 37 CO -0.46 0.65 -0.43 1.96 -1.18 0.00 0.00 179.01 179.56 2xcb h GLN 38 N 0.99 0.21 -0.21 1.92 4.20 -0.93 -0.95 115.11 120.34 2xcb h GLN 38 Ca 0.27 -0.10 -0.18 0.00 0.06 0.00 0.00 58.65 58.70 2xcb h GLN 38 Cb -0.10 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 2xcb h GLN 38 CO -0.06 0.60 -0.58 1.25 -0.67 0.00 0.00 178.83 179.37 2xcb h LEU 39 N 0.17 0.75 -0.41 1.46 5.85 -0.36 -0.70 115.31 122.07 2xcb h LEU 39 Ca 0.01 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.32 2xcb h LEU 39 Cb 0.83 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 2xcb h LEU 39 CO 0.06 1.16 0.26 0.22 -0.34 0.00 0.00 178.44 179.81 2xcb h TYR 40 N 0.50 0.52 -0.93 1.25 3.20 -0.36 -1.32 116.97 119.84 2xcb h TYR 40 Ca 0.00 0.01 0.16 0.00 3.14 0.00 0.00 58.73 62.04 2xcb h TYR 40 Cb 1.16 -0.17 -0.10 0.00 1.54 0.00 0.00 36.73 39.15 2xcb h TYR 40 CO 0.06 0.35 0.53 0.00 -1.64 0.00 0.00 178.16 177.45 2xcb h ALA 41 N 1.13 1.45 -0.23 1.82 0.00 -1.01 0.17 119.26 122.59 2xcb h ALA 41 Ca 0.15 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 2xcb h ALA 41 Cb -0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2xcb h ALA 41 CO -0.03 -0.03 0.03 1.25 0.00 0.00 0.00 179.25 180.47 2xcb h LEU 42 N 0.73 0.37 -0.34 0.00 6.46 -0.69 -0.93 115.31 120.91 2xcb h LEU 42 Ca 0.51 -0.27 -0.03 0.00 -0.12 0.00 0.00 57.88 57.97 2xcb h LEU 42 Cb 0.71 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.53 2xcb h LEU 42 CO -0.36 0.55 0.12 1.23 -0.62 0.00 0.00 178.44 179.36 2xcb h GLY 43 N 0.18 0.57 0.62 3.75 0.00 -0.72 -1.67 103.07 105.80 2xcb h GLY 43 Ca 0.07 -0.33 0.08 0.00 0.00 0.00 0.00 47.33 47.15 2xcb h GLY 43 CO 0.01 0.31 0.53 -2.75 0.00 0.00 0.00 176.54 174.64 2xcb h PHE 44 N 0.41 0.97 -0.35 5.60 3.57 -0.62 -1.74 116.94 124.78 2xcb h PHE 44 Ca 0.11 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.50 2xcb h PHE 44 Cb 0.24 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 2xcb h PHE 44 CO 0.01 0.45 -0.33 -0.91 -2.23 0.00 0.00 178.31 175.30 2xcb h ASN 45 N 0.92 0.90 -0.91 0.41 2.35 -0.65 -0.27 115.58 118.32 2xcb h ASN 45 Ca 0.40 -0.46 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 2xcb h ASN 45 Cb 0.28 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.35 2xcb h ASN 45 CO -0.21 1.17 0.58 1.56 -1.65 0.00 0.00 177.43 178.88 2xcb h GLN 46 N 0.63 1.21 -0.01 0.81 1.08 -1.17 -1.97 115.11 115.69 2xcb h GLN 46 Ca 0.06 -0.09 0.02 0.00 -1.45 0.00 0.00 58.65 57.19 2xcb h GLN 46 Cb 0.91 -0.27 -0.02 0.00 -0.05 0.00 0.00 27.48 28.05 2xcb h GLN 46 CO 0.08 0.82 -0.10 -0.92 -0.95 0.00 0.00 178.83 177.76 2xcb h TYR 47 N 1.24 -0.26 -0.29 2.96 3.20 -1.05 0.17 116.97 122.94 2xcb h TYR 47 Ca 0.33 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.29 2xcb h TYR 47 Cb -0.11 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 2xcb h TYR 47 CO -0.00 -0.16 0.23 1.96 -1.64 0.00 0.00 178.16 178.55 2xcb h GLN 48 N -0.17 0.00 -0.32 1.82 1.08 -0.61 -0.97 115.11 115.94 2xcb h GLN 48 Ca 0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 2xcb h GLN 48 Cb 0.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 2xcb h GLN 48 CO -0.11 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.77 2xcb n ALA 49 N -2.53 2.46 -1.07 3.87 0.00 -0.78 -4.91 120.51 117.56 2xcb n ALA 49 Ca 0.04 -0.72 -0.02 0.00 0.00 0.00 0.00 53.44 52.74 2xcb n ALA 49 Cb 0.39 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.83 2xcb n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2xcb n GLY 50 N 1.24 0.53 3.26 0.00 0.00 -0.37 -4.90 105.19 104.94 2xcb n GLY 50 Ca 0.16 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 2xcb n GLY 50 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2xcb n LYS 51 N -2.12 3.41 0.05 1.61 3.00 0.01 -4.79 118.16 119.33 2xcb n LYS 51 Ca -0.02 -3.64 -0.05 0.00 -0.00 0.00 0.00 58.31 54.59 2xcb n LYS 51 Cb 0.18 -3.06 0.14 0.00 0.00 0.00 0.00 35.03 32.29 2xcb n LYS 51 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.40 175.91 2xcb h TRP 52 N 6.68 0.44 -0.51 5.64 6.55 -1.90 -1.24 115.95 131.61 2xcb h TRP 52 Ca 0.37 -0.14 -0.11 0.00 0.95 0.00 0.00 58.89 59.95 2xcb h TRP 52 Cb 0.78 -0.09 -0.02 0.00 -0.86 0.00 0.00 29.16 28.98 2xcb h TRP 52 CO 1.19 0.78 -0.12 -0.44 -1.05 0.00 0.00 178.44 178.80 2xcb h ASP 53 N 0.29 0.96 -0.13 -3.49 3.32 -1.91 0.99 116.42 116.45 2xcb h ASP 53 Ca 0.01 -0.32 -0.16 0.00 0.02 0.00 0.00 57.03 56.59 2xcb h ASP 53 Cb 0.96 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 40.26 2xcb h ASP 53 CO 0.08 1.09 -0.53 0.44 -1.72 0.00 0.00 179.24 178.60 2xcb h ASP 54 N 0.85 0.69 -0.61 6.45 5.19 -1.95 -2.83 116.42 124.22 2xcb h ASP 54 Ca 0.13 -0.62 -0.02 0.00 -0.62 0.00 0.00 57.03 55.90 2xcb h ASP 54 Cb 0.67 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.95 2xcb h ASP 54 CO 0.05 1.20 0.29 0.00 -3.12 0.00 0.00 179.24 177.66 2xcb h ALA 55 N 0.51 0.79 -0.67 3.45 0.00 -1.16 -1.84 119.26 120.34 2xcb h ALA 55 Ca -0.03 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.83 2xcb h ALA 55 Cb 1.17 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 2xcb h ALA 55 CO 0.11 0.35 0.34 0.37 0.00 0.00 0.00 179.25 180.42 2xcb h GLN 56 N 0.84 0.58 -0.46 0.00 4.15 -0.78 -0.35 115.11 119.09 2xcb h GLN 56 Ca 0.21 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.54 2xcb h GLN 56 Cb 0.12 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 2xcb h GLN 56 CO -0.03 0.38 0.08 0.87 -1.93 0.00 0.00 178.83 178.20 2xcb h LYS 57 N 0.60 0.76 -0.69 1.69 1.57 -1.22 0.77 116.57 120.04 2xcb h LYS 57 Ca 0.32 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2xcb h LYS 57 Cb 0.30 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 2xcb h LYS 57 CO -0.24 0.77 0.44 0.82 -0.57 0.00 0.00 179.45 180.67 2xcb h ILE 58 N 0.62 1.19 -0.26 1.86 1.08 -0.82 -1.32 117.51 119.86 2xcb h ILE 58 Ca 0.14 -0.37 -0.15 0.00 -0.39 0.00 0.00 64.86 64.09 2xcb h ILE 58 Cb 0.38 0.19 -0.01 0.00 -3.07 0.00 0.00 36.82 34.32 2xcb h ILE 58 CO 0.01 0.18 -0.44 -0.26 -0.69 0.00 0.00 178.15 176.95 2xcb h PHE 59 N 0.94 0.79 -0.88 1.37 0.04 -0.88 -0.46 116.94 117.85 2xcb h PHE 59 Ca 0.25 -0.25 0.00 0.00 2.80 0.00 0.00 57.97 60.78 2xcb h PHE 59 Cb -0.08 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 37.86 2xcb h PHE 59 CO -0.02 0.98 0.57 0.37 -0.60 0.00 0.00 178.31 179.61 2xcb h GLN 60 N 0.53 1.18 0.12 1.51 5.75 -0.78 0.60 115.11 124.02 2xcb h GLN 60 Ca 0.04 -0.08 -0.01 0.00 -0.15 0.00 0.00 58.65 58.45 2xcb h GLN 60 Cb 0.98 -0.26 0.00 0.00 1.07 0.00 0.00 27.48 29.27 2xcb h GLN 60 CO 0.09 0.80 -0.06 0.00 -2.65 0.00 0.00 178.83 177.01 2xcb h ALA 61 N 1.42 -0.16 -0.59 3.38 0.00 -0.29 -2.34 119.26 120.68 2xcb h ALA 61 Ca 0.32 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.14 2xcb h ALA 61 Cb -0.11 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2xcb h ALA 61 CO -0.07 -0.50 0.37 -0.07 0.00 0.00 0.00 179.25 178.98 2xcb h LEU 62 N -0.34 0.60 -1.85 0.00 3.38 -0.69 -1.41 115.31 115.01 2xcb h LEU 62 Ca -0.02 -0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.15 2xcb h LEU 62 Cb 0.28 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 2xcb h LEU 62 CO 0.03 0.42 0.52 0.00 0.09 0.00 0.00 178.44 179.50 2xcb h MET 64 N 0.14 0.70 -0.03 0.00 2.86 -0.75 -3.34 114.93 114.52 2xcb h MET 64 Ca 0.36 -0.59 -0.14 0.00 -2.06 0.00 0.00 59.70 57.27 2xcb h MET 64 Cb 1.22 0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.99 2xcb h MET 64 CO -0.05 1.20 -0.62 -0.07 1.06 0.00 0.00 176.91 178.42 2xcb h LEU 65 N 0.39 0.11 -6.73 1.22 3.38 -0.45 -3.41 115.31 109.82 2xcb h LEU 65 Ca -0.05 -0.07 -0.49 0.00 0.09 0.00 0.00 57.88 57.36 2xcb h LEU 65 Cb 1.34 -0.03 -0.38 0.00 0.09 0.00 0.00 40.66 41.68 2xcb h LEU 65 CO 0.15 0.71 -0.75 -0.62 0.09 0.00 0.00 178.44 178.01 2xcb s ASP 66 N -6.87 3.13 0.00 -0.43 3.68 0.99 -4.94 116.67 112.23 2xcb s ASP 66 Ca -0.02 -1.18 0.19 0.00 2.13 0.00 0.00 52.55 53.66 2xcb s ASP 66 Cb 0.12 -0.16 1.11 0.00 -1.45 0.00 0.00 42.92 42.54 2xcb s ASP 66 CO 0.78 -0.43 1.51 1.41 0.13 0.00 0.00 175.17 178.57 2xcb n HIS 67 N 5.25 0.00 -0.11 -5.34 8.25 -1.25 -3.73 115.22 118.28 2xcb n HIS 67 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 2xcb n HIS 67 Cb 0.43 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.53 2xcb n HIS 67 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2xcb n TYR 68 N -1.01 0.00 -2.73 4.41 4.02 -1.26 -4.97 117.16 115.63 2xcb n TYR 68 Ca 0.14 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.61 2xcb n TYR 68 Cb 0.07 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.35 2xcb n TYR 68 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2xcb s ASP 69 N -0.44 6.22 0.44 7.72 3.68 -1.24 -4.90 116.67 128.15 2xcb s ASP 69 Ca 0.00 -0.62 0.20 0.00 2.13 0.00 0.00 52.55 54.26 2xcb s ASP 69 Cb 0.00 -2.48 1.16 0.00 -1.45 0.00 0.00 42.92 40.15 2xcb s ASP 69 CO 0.00 -1.55 1.87 0.00 0.13 0.00 0.00 175.17 175.62 2xcb h ALA 70 N 9.68 2.32 -0.98 3.66 0.00 -1.89 -1.45 119.26 130.62 2xcb h ALA 70 Ca -0.28 0.01 0.18 0.00 0.00 0.00 0.00 54.91 54.82 2xcb h ALA 70 Cb 1.06 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.75 2xcb h ALA 70 CO 1.20 -0.60 0.61 0.00 0.00 0.00 0.00 179.25 180.46 2xcb h ARG 71 N 0.32 0.69 -0.09 0.00 3.08 -1.96 -1.43 114.38 115.00 2xcb h ARG 71 Ca 0.45 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.37 2xcb h ARG 71 Cb 1.26 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 2xcb h ARG 71 CO -0.14 0.46 -0.38 1.88 -1.07 0.00 0.00 179.97 180.72 2xcb h TYR 72 N 0.72 0.20 0.08 3.04 0.05 -1.65 0.48 116.97 119.89 2xcb h TYR 72 Ca 0.53 -0.05 -0.26 0.00 0.05 0.00 0.00 58.73 59.00 2xcb h TYR 72 Cb 0.89 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.57 2xcb h TYR 72 CO -0.00 0.53 -1.26 0.74 -1.05 0.00 0.00 178.16 177.12 2xcb h PHE 73 N 0.15 0.30 0.09 4.88 0.04 -1.38 -0.97 116.94 120.05 2xcb h PHE 73 Ca 0.02 -0.22 0.00 0.00 2.80 0.00 0.00 57.97 60.57 2xcb h PHE 73 Cb 0.74 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.87 2xcb h PHE 73 CO 0.01 1.20 -0.08 1.25 -0.60 0.00 0.00 178.31 180.08 2xcb h LEU 74 N 0.04 -0.21 -0.21 1.54 5.85 -1.25 0.11 115.31 121.18 2xcb h LEU 74 Ca -0.13 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.64 2xcb h LEU 74 Cb 1.92 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 43.00 2xcb h LEU 74 CO 0.16 -0.13 0.04 1.23 -0.34 0.00 0.00 178.44 179.41 2xcb h GLY 75 N -0.19 0.23 0.94 3.75 0.00 -0.83 -0.35 103.07 106.63 2xcb h GLY 75 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 2xcb h GLY 75 CO -0.02 -0.00 -0.13 -2.00 0.00 0.00 0.00 176.54 174.40 2xcb h LEU 76 N 0.13 -0.30 -0.60 3.11 5.85 -1.14 -1.46 115.31 120.89 2xcb h LEU 76 Ca 0.09 -0.04 0.12 0.00 0.84 0.00 0.00 57.88 58.90 2xcb h LEU 76 Cb 0.09 0.08 -0.10 0.00 0.37 0.00 0.00 40.66 41.10 2xcb h LEU 76 CO -0.12 -0.16 0.02 1.23 -0.34 0.00 0.00 178.44 179.07 2xcb h GLY 77 N -0.42 0.66 1.16 3.75 0.00 -0.65 -1.97 103.07 105.61 2xcb h GLY 77 Ca -0.04 0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.31 2xcb h GLY 77 CO 0.06 -0.18 0.28 0.00 0.00 0.00 0.00 176.54 176.70 2xcb h ALA 78 N 1.53 1.14 -0.36 3.60 0.00 -0.76 -0.60 119.26 123.82 2xcb h ALA 78 Ca 0.31 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2xcb h ALA 78 Cb 0.50 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2xcb h ALA 78 CO -0.49 0.61 0.12 0.00 0.00 0.00 0.00 179.25 179.49 2xcb h ARG 80 N 0.42 0.94 -0.40 0.00 3.08 -1.08 -2.55 114.38 114.79 2xcb h ARG 80 Ca 0.12 -0.31 0.07 0.00 0.07 0.00 0.00 59.98 59.93 2xcb h ARG 80 Cb 0.24 -0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.15 2xcb h ARG 80 CO -0.00 0.96 -0.02 0.37 -1.07 0.00 0.00 179.97 180.20 2xcb h GLN 81 N 0.81 0.08 0.00 0.04 4.15 -1.00 0.22 115.11 119.40 2xcb h GLN 81 Ca 0.15 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.54 2xcb h GLN 81 Cb 0.55 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.22 2xcb h GLN 81 CO 0.03 0.05 -0.11 0.77 -1.93 0.00 0.00 178.83 177.64 2xcb h SER 82 N 0.08 0.00 -0.11 -0.69 0.02 -1.04 -1.14 113.55 110.66 2xcb h SER 82 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2xcb h SER 82 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 2xcb h SER 82 CO -0.35 0.11 0.00 0.18 -1.14 0.00 0.00 176.83 175.63 2xcb n LEU 83 N -3.46 2.09 -0.06 5.07 4.77 -0.90 -4.95 117.00 119.56 2xcb n LEU 83 Ca -0.01 -0.78 -0.01 0.00 -0.03 0.00 0.00 56.01 55.18 2xcb n LEU 83 Cb 0.26 -0.07 -0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2xcb n LEU 83 CO 0.29 0.39 -0.01 0.61 -1.33 0.00 0.00 177.39 177.35 2xcb n GLY 84 N 1.24 0.48 2.92 -0.72 0.00 -0.43 -4.94 105.19 103.73 2xcb n GLY 84 Ca 0.17 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 2xcb n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2xcb n LEU 85 N -0.09 6.58 -0.22 0.99 4.77 0.69 -4.85 117.00 124.86 2xcb n LEU 85 Ca -0.01 -4.90 -0.08 0.00 -0.03 0.00 0.00 56.01 50.99 2xcb n LEU 85 Cb 0.04 -1.38 0.04 0.00 -2.33 0.00 0.00 43.42 39.79 2xcb n LEU 85 CO 0.01 1.53 0.87 1.88 -1.33 0.00 0.00 177.39 180.35 2xcb h TYR 86 N 5.59 1.17 -0.45 -1.77 0.05 -1.89 -0.95 116.97 118.72 2xcb h TYR 86 Ca 0.31 -0.18 -0.01 0.00 0.05 0.00 0.00 58.73 58.90 2xcb h TYR 86 Cb 0.62 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 38.02 2xcb h TYR 86 CO 1.15 1.00 0.25 1.49 -1.05 0.00 0.00 178.16 181.01 2xcb h GLU 87 N 1.01 0.63 -0.10 4.88 4.81 -1.93 0.52 114.58 124.40 2xcb h GLU 87 Ca 0.19 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.24 2xcb h GLU 87 Cb 0.49 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 2xcb h GLU 87 CO 0.02 0.49 -0.45 1.96 -0.73 0.00 0.00 179.01 180.31 2xcb h GLN 88 N 0.59 0.24 -0.69 1.92 4.20 -1.91 -2.29 115.11 117.17 2xcb h GLN 88 Ca 0.16 -0.12 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 2xcb h GLN 88 Cb 0.04 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 2xcb h GLN 88 CO -0.03 0.64 0.24 0.00 -0.67 0.00 0.00 178.83 179.02 2xcb h ALA 89 N 1.34 0.90 -0.53 3.87 0.00 -0.88 -2.65 119.26 121.32 2xcb h ALA 89 Ca 0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2xcb h ALA 89 Cb 0.87 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2xcb h ALA 89 CO 0.07 0.55 0.24 -0.07 0.00 0.00 0.00 179.25 180.05 2xcb h LEU 90 N 1.00 0.70 -0.87 0.00 3.38 -0.44 -1.35 115.31 117.72 2xcb h LEU 90 Ca 0.23 -0.14 0.10 0.00 0.09 0.00 0.00 57.88 58.16 2xcb h LEU 90 Cb 0.26 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 40.75 2xcb h LEU 90 CO -0.01 0.65 0.51 1.56 0.09 0.00 0.00 178.44 181.23 2xcb h GLN 91 N 0.71 0.81 -0.19 1.13 4.20 -1.14 0.24 115.11 120.87 2xcb h GLN 91 Ca 0.18 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.73 2xcb h GLN 91 Cb 0.14 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 2xcb h GLN 91 CO -0.02 0.54 -0.32 1.03 -0.67 0.00 0.00 178.83 179.38 2xcb h SER 92 N 0.83 0.60 -0.88 1.46 0.87 -1.08 -2.21 113.55 113.15 2xcb h SER 92 Ca 0.43 -0.54 -0.01 0.00 -1.23 0.00 0.00 61.79 60.44 2xcb h SER 92 Cb 0.42 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.16 2xcb h SER 92 CO -0.26 1.03 0.50 1.88 -0.53 0.00 0.00 176.83 179.45 2xcb h TYR 93 N 0.20 1.18 -0.45 2.24 0.05 -1.11 0.77 116.97 119.85 2xcb h TYR 93 Ca 0.01 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 2xcb h TYR 93 Cb 0.91 -0.38 -0.02 0.00 1.01 0.00 0.00 36.73 38.25 2xcb h TYR 93 CO 0.09 0.80 0.21 0.77 -1.05 0.00 0.00 178.16 178.98 2xcb h SER 94 N 1.21 0.59 -0.25 3.88 0.02 -0.39 -1.43 113.55 117.20 2xcb h SER 94 Ca 0.31 -0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 61.08 2xcb h SER 94 Cb -0.01 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 2xcb h SER 94 CO -0.05 0.56 -0.04 0.22 -1.14 0.00 0.00 176.83 176.38 2xcb h TYR 95 N 0.58 0.52 -0.48 3.45 3.20 -1.28 -2.92 116.97 120.04 2xcb h TYR 95 Ca 0.15 -0.11 0.10 0.00 3.14 0.00 0.00 58.73 62.01 2xcb h TYR 95 Cb 0.13 -0.13 -0.09 0.00 1.54 0.00 0.00 36.73 38.19 2xcb h TYR 95 CO -0.01 0.67 -0.07 0.78 -1.64 0.00 0.00 178.16 177.89 2xcb h GLY 96 N 0.22 0.40 0.78 1.82 0.00 -0.66 0.55 103.07 106.18 2xcb h GLY 96 Ca 0.06 0.12 0.13 0.00 0.00 0.00 0.00 47.33 47.65 2xcb h GLY 96 CO 0.02 -0.17 0.48 0.00 0.00 0.00 0.00 176.54 176.88 2xcb h ALA 97 N 1.46 2.06 -0.19 3.60 0.00 -1.23 0.10 119.26 125.07 2xcb h ALA 97 Ca 0.23 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 2xcb h ALA 97 Cb 0.36 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2xcb h ALA 97 CO -0.46 -0.25 -0.06 -0.07 0.00 0.00 0.00 179.25 178.42 2xcb h LEU 98 N 0.44 0.27 0.00 0.00 4.07 -0.70 -3.10 115.31 116.28 2xcb h LEU 98 Ca 0.35 -0.04 -0.17 0.00 0.08 0.00 0.00 57.88 58.09 2xcb h LEU 98 Cb 0.74 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 42.39 2xcb h LEU 98 CO -0.11 0.37 -0.89 0.24 -1.08 0.00 0.00 178.44 176.97 2xcb h MET 99 N 0.28 0.00 -2.59 1.13 2.86 -0.37 -3.40 114.93 112.84 2xcb h MET 99 Ca 0.06 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.15 2xcb h MET 99 Cb 0.29 0.00 -0.39 0.00 0.06 0.00 0.00 31.60 31.56 2xcb h MET 99 CO 0.01 0.72 -0.82 0.34 1.06 0.00 0.00 176.91 178.22 2xcb s ASP 100 N -6.50 2.99 0.22 1.22 -1.08 -0.36 -4.83 116.67 108.33 2xcb s ASP 100 Ca 0.01 -1.93 0.20 0.00 -0.52 0.00 0.00 52.55 50.31 2xcb s ASP 100 Cb 0.09 -0.33 0.90 0.00 -1.46 0.00 0.00 42.92 42.12 2xcb s ASP 100 CO 0.79 -0.34 1.60 2.30 0.52 0.00 0.00 175.17 180.04 2xcb n ILE 101 N 4.35 1.02 0.70 4.11 -5.35 -1.18 -2.44 119.36 120.58 2xcb n ILE 101 Ca 0.08 0.41 0.12 0.00 -0.27 0.00 0.00 62.75 63.08 2xcb n ILE 101 Cb 0.39 -1.34 0.12 0.00 -1.74 0.00 0.00 39.64 37.06 2xcb n ILE 101 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2xcb n ASN 102 N -2.08 0.63 -4.62 7.28 3.02 -1.26 -4.93 115.26 113.29 2xcb n ASN 102 Ca 0.01 -0.16 -0.43 0.00 -0.03 0.00 0.00 54.58 53.98 2xcb n ASN 102 Cb 0.14 0.48 -0.02 0.00 -0.61 0.00 0.00 39.78 39.77 2xcb n ASN 102 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2xcb s GLU 103 N -3.13 3.93 0.49 3.52 2.56 -1.02 -4.77 118.70 120.27 2xcb s GLU 103 Ca 0.06 0.93 0.28 0.00 0.00 0.00 0.00 54.97 56.24 2xcb s GLU 103 Cb 0.15 -3.82 1.13 0.00 2.00 0.00 0.00 34.13 33.60 2xcb s GLU 103 CO 0.75 -1.10 1.91 -1.00 -0.56 0.00 0.00 175.26 175.26 2xcb h PRO 104 N 8.66 0.00 -0.61 4.30 0.13 -1.88 -3.23 132.00 139.37 2xcb h PRO 104 Ca -0.22 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.89 2xcb h PRO 104 Cb 1.07 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.17 2xcb h PRO 104 CO 1.06 0.14 0.31 0.00 -0.23 0.00 0.00 178.00 179.28 2xcb h ARG 105 N 0.00 0.85 0.89 0.86 3.08 -1.93 -2.20 114.38 115.93 2xcb h ARG 105 Ca -0.00 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 2xcb h ARG 105 Cb 0.62 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2xcb h ARG 105 CO 0.02 0.65 -0.48 0.74 -1.07 0.00 0.00 179.97 179.83 2xcb h PHE 106 N 0.86 -1.25 0.00 3.04 0.04 -1.91 -0.32 116.94 117.40 2xcb h PHE 106 Ca 0.22 -0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.88 2xcb h PHE 106 Cb 0.07 0.43 -0.01 0.00 2.20 0.00 0.00 35.95 38.63 2xcb h PHE 106 CO 0.01 -0.74 -0.40 -1.00 -0.60 0.00 0.00 178.31 175.58 2xcb h PRO 107 N -1.26 0.00 0.47 1.51 0.13 -1.74 -1.02 132.00 130.09 2xcb h PRO 107 Ca -0.12 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.99 2xcb h PRO 107 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2xcb h PRO 107 CO 0.17 0.40 -0.22 0.35 -0.23 0.00 0.00 178.00 178.46 2xcb h PHE 108 N 0.00 -0.58 0.00 1.56 3.57 -1.33 0.40 116.94 120.56 2xcb h PHE 108 Ca -0.00 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.39 2xcb h PHE 108 Cb 0.89 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 2xcb h PHE 108 CO 0.00 -0.29 -0.44 0.45 -2.23 0.00 0.00 178.31 175.81 2xcb h HIS 109 N -0.79 0.00 -0.79 0.41 3.86 -0.98 -1.54 115.15 115.32 2xcb h HIS 109 Ca -0.06 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.13 2xcb h HIS 109 Cb 0.56 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.99 2xcb h HIS 109 CO -0.01 0.44 0.45 0.00 0.86 0.00 0.00 177.93 179.66 2xcb h ALA 110 N 1.56 1.01 -0.73 2.45 0.00 -1.08 -2.38 119.26 120.09 2xcb h ALA 110 Ca -0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2xcb h ALA 110 Cb 0.85 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2xcb h ALA 110 CO 0.06 0.51 0.37 0.00 0.00 0.00 0.00 179.25 180.19 2xcb h ALA 111 N 1.23 0.94 -0.90 0.00 0.00 0.05 0.45 119.26 121.03 2xcb h ALA 111 Ca 0.28 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.13 2xcb h ALA 111 Cb 0.01 -0.29 -0.07 0.00 0.00 0.00 0.00 17.79 17.44 2xcb h ALA 111 CO -0.05 0.49 0.55 0.93 0.00 0.00 0.00 179.25 181.18 2xcb h GLU 112 N 1.02 0.93 -0.38 0.00 5.08 -1.00 -1.17 114.58 119.05 2xcb h GLU 112 Ca 0.25 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.48 2xcb h GLU 112 Cb 0.10 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2xcb h GLU 112 CO -0.03 0.62 -0.06 0.00 -1.00 0.00 0.00 179.01 178.53 2xcb h HIS 114 N 0.53 1.17 -0.18 0.00 3.86 -0.42 -1.57 115.15 118.53 2xcb h HIS 114 Ca 0.10 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 2xcb h HIS 114 Cb 0.57 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 2xcb h HIS 114 CO 0.05 0.71 0.08 -0.07 0.86 0.00 0.00 177.93 179.56 2xcb h LEU 115 N 1.24 0.24 -2.27 2.43 3.38 -1.01 0.93 115.31 120.26 2xcb h LEU 115 Ca 0.36 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 2xcb h LEU 115 Cb -0.08 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 2xcb h LEU 115 CO -0.09 0.31 -0.03 -0.61 0.09 0.00 0.00 178.44 178.11 2xcb h GLN 116 N 0.15 0.00 -0.01 1.13 5.75 -0.82 0.15 115.11 121.47 2xcb h GLN 116 Ca 0.06 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 2xcb h GLN 116 Cb 0.14 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.69 2xcb h GLN 116 CO -0.01 0.03 -0.05 1.28 -2.65 0.00 0.00 178.83 177.43 2xcb n LEU 117 N -3.93 1.12 0.00 -2.39 4.32 -0.63 -4.91 117.00 110.58 2xcb n LEU 117 Ca -0.03 -0.34 0.00 0.00 -0.02 0.00 0.00 56.01 55.62 2xcb n LEU 117 Cb 0.12 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 41.88 2xcb n LEU 117 CO 0.29 0.19 0.00 0.61 -1.22 0.00 0.00 177.39 177.26 2xcb n GLY 118 N 1.19 0.44 3.18 -0.72 0.00 0.53 -4.99 105.19 104.82 2xcb n GLY 118 Ca 0.18 -0.99 -0.40 0.00 0.00 0.00 0.00 46.02 44.81 2xcb n GLY 118 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2xcb s ASP 119 N -2.91 5.70 0.18 1.61 -1.08 0.25 -4.93 116.67 115.48 2xcb s ASP 119 Ca 0.00 -2.47 -0.03 0.00 -0.52 0.00 0.00 52.55 49.53 2xcb s ASP 119 Cb 0.00 -1.98 0.09 0.00 -1.46 0.00 0.00 42.92 39.57 2xcb s ASP 119 CO 0.00 -0.53 1.48 -0.07 0.52 0.00 0.00 175.17 176.58 2xcb h LEU 120 N 7.70 0.62 -0.38 -1.34 3.38 -1.92 -2.54 115.31 120.84 2xcb h LEU 120 Ca -0.06 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.52 2xcb h LEU 120 Cb 1.01 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 2xcb h LEU 120 CO 0.77 1.07 0.08 0.44 0.09 0.00 0.00 178.44 180.88 2xcb h ASP 121 N 0.41 0.59 -0.91 -0.43 3.32 -1.96 -0.46 116.42 116.97 2xcb h ASP 121 Ca -0.00 -0.24 0.02 0.00 0.02 0.00 0.00 57.03 56.82 2xcb h ASP 121 Cb 1.14 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 40.49 2xcb h ASP 121 CO 0.11 0.68 0.60 1.23 -1.72 0.00 0.00 179.24 180.14 2xcb h GLY 122 N 0.47 1.30 0.99 2.75 0.00 -1.93 -1.61 103.07 105.04 2xcb h GLY 122 Ca 0.12 -0.47 -0.13 0.00 0.00 0.00 0.00 47.33 46.84 2xcb h GLY 122 CO 0.00 0.45 -0.35 0.00 0.00 0.00 0.00 176.54 176.64 2xcb h ALA 123 N 1.35 0.40 -0.27 3.60 0.00 -1.26 -1.58 119.26 121.50 2xcb h ALA 123 Ca 0.34 -0.43 0.04 0.00 0.00 0.00 0.00 54.91 54.86 2xcb h ALA 123 Cb -0.10 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 2xcb h ALA 123 CO -0.09 0.47 0.04 1.49 0.00 0.00 0.00 179.25 181.17 2xcb h GLU 124 N 0.45 0.13 -0.39 0.00 4.81 -0.95 -1.17 114.58 117.46 2xcb h GLU 124 Ca 0.03 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.31 2xcb h GLU 124 Cb 0.94 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.24 2xcb h GLU 124 CO 0.08 0.09 0.10 1.03 -0.73 0.00 0.00 179.01 179.59 2xcb h SER 125 N 0.14 0.07 -0.30 1.04 0.87 -1.14 -1.39 113.55 112.85 2xcb h SER 125 Ca 0.12 0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.71 2xcb h SER 125 Cb 0.13 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 2xcb h SER 125 CO -0.17 0.07 0.09 1.23 -0.53 0.00 0.00 176.83 177.52 2xcb h GLY 126 N 0.24 0.50 1.28 5.77 0.00 -1.04 -0.46 103.07 109.37 2xcb h GLY 126 Ca 0.19 -0.30 -0.13 0.00 0.00 0.00 0.00 47.33 47.08 2xcb h GLY 126 CO -0.22 0.28 -0.31 0.74 0.00 0.00 0.00 176.54 177.03 2xcb h PHE 127 N 0.32 0.94 0.14 5.60 0.04 -1.15 0.16 116.94 123.00 2xcb h PHE 127 Ca 0.10 -0.25 0.01 0.00 2.80 0.00 0.00 57.97 60.63 2xcb h PHE 127 Cb 0.26 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.17 2xcb h PHE 127 CO 0.01 1.01 -0.26 -0.92 -0.60 0.00 0.00 178.31 177.55 2xcb h TYR 128 N 0.68 -0.69 -0.36 -0.55 3.20 -1.04 -0.01 116.97 118.20 2xcb h TYR 128 Ca 0.08 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.01 2xcb h TYR 128 Cb 0.85 0.28 -0.05 0.00 1.54 0.00 0.00 36.73 39.36 2xcb h TYR 128 CO 0.05 -0.36 0.07 1.03 -1.64 0.00 0.00 178.16 177.30 2xcb h SER 129 N -0.48 0.00 -0.91 -2.11 0.87 -0.96 -1.28 113.55 108.69 2xcb h SER 129 Ca 0.02 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 2xcb h SER 129 Cb 0.49 0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.49 2xcb h SER 129 CO -0.13 0.04 0.54 0.00 -0.53 0.00 0.00 176.83 176.75 2xcb h ALA 130 N 1.27 1.25 -0.44 6.23 0.00 -0.55 0.28 119.26 127.30 2xcb h ALA 130 Ca 0.17 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2xcb h ALA 130 Cb 0.19 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2xcb h ALA 130 CO -0.23 0.64 0.03 -0.09 0.00 0.00 0.00 179.25 179.60 2xcb h ARG 131 N 1.25 0.76 -0.41 0.00 2.43 -0.42 0.11 114.38 118.10 2xcb h ARG 131 Ca 0.33 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2xcb h ARG 131 Cb -0.05 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 2xcb h ARG 131 CO -0.06 0.81 0.26 0.00 -1.51 0.00 0.00 179.97 179.47 2xcb h ALA 132 N 0.92 0.52 -0.34 2.80 0.00 -0.58 0.20 119.26 122.79 2xcb h ALA 132 Ca 0.13 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 2xcb h ALA 132 Cb 0.45 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2xcb h ALA 132 CO 0.02 -0.00 -0.11 -0.07 0.00 0.00 0.00 179.25 179.08 2xcb h LEU 133 N 0.55 0.68 -0.66 0.00 3.38 -0.82 -3.01 115.31 115.43 2xcb h LEU 133 Ca 0.15 -0.38 -0.13 0.00 0.09 0.00 0.00 57.88 57.61 2xcb h LEU 133 Cb -0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2xcb h LEU 133 CO -0.03 0.91 -0.39 0.00 0.09 0.00 0.00 178.44 179.02 2xcb h ALA 134 N 0.80 0.84 -0.06 1.53 0.00 -0.59 -2.83 119.26 118.94 2xcb h ALA 134 Ca 0.08 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.58 2xcb h ALA 134 Cb 0.63 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2xcb h ALA 134 CO 0.04 0.64 0.05 0.00 0.00 0.00 0.00 179.25 179.98 2xcb h ALA 135 N 1.08 1.99 -0.00 0.00 0.00 -0.48 -2.26 119.26 119.58 2xcb h ALA 135 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2xcb h ALA 135 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2xcb h ALA 135 CO 0.08 -0.08 -0.00 0.00 0.00 0.00 0.00 179.25 179.24 2xcb n ALA 136 N -2.51 2.63 -3.76 0.00 0.00 -1.07 -4.79 120.51 111.01 2xcb n ALA 136 Ca -0.01 -0.19 -0.24 0.00 0.00 0.00 0.00 53.44 53.00 2xcb n ALA 136 Cb 0.15 -1.50 -0.17 0.00 0.00 0.00 0.00 19.45 17.93 2xcb n ALA 136 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2xcb s GLN 137 N -2.19 0.59 0.45 0.00 -0.21 -0.85 -5.04 119.66 112.41 2xcb s GLN 137 Ca 0.41 0.03 0.11 0.00 0.02 0.00 0.00 55.36 55.93 2xcb s GLN 137 Cb 0.21 -1.16 1.03 0.00 1.00 0.00 0.00 33.01 34.09 2xcb s GLN 137 CO 0.40 -0.36 2.08 -1.35 -2.12 0.00 0.00 175.29 173.93 2xcb h PRO 138 N 8.32 0.33 -0.33 2.91 0.11 -1.86 -1.05 132.00 140.43 2xcb h PRO 138 Ca -0.19 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 66.00 2xcb h PRO 138 Cb 1.12 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 2xcb h PRO 138 CO 0.27 0.22 0.38 0.00 -0.21 0.00 0.00 178.00 178.66 2xcb h ALA 139 N 1.82 1.99 -0.44 -0.75 0.00 -1.96 -2.85 119.26 117.07 2xcb h ALA 139 Ca 0.12 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.82 2xcb h ALA 139 Cb 0.07 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 17.77 2xcb h ALA 139 CO -0.03 -0.55 0.04 0.72 0.00 0.00 0.00 179.25 179.44 2xcb n HIS 140 N -3.69 1.38 -0.34 0.00 8.25 -0.40 -4.75 115.22 115.68 2xcb n HIS 140 Ca 0.05 -1.53 -0.02 0.00 -0.26 0.00 0.00 57.72 55.97 2xcb n HIS 140 Cb 0.53 -0.54 0.13 0.00 1.12 0.00 0.00 29.99 31.24 2xcb n HIS 140 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2xcb h GLU 141 N 1.16 1.26 -0.56 -0.41 4.81 -1.60 -1.70 114.58 117.53 2xcb h GLU 141 Ca 0.25 -0.09 -0.09 0.00 -0.13 0.00 0.00 59.36 59.30 2xcb h GLU 141 Cb 1.82 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 30.90 2xcb h GLU 141 CO 0.48 0.85 -0.01 0.00 -0.73 0.00 0.00 179.01 179.60 2xcb h ALA 142 N 1.38 0.76 -0.55 2.92 0.00 -1.88 -3.05 119.26 118.83 2xcb h ALA 142 Ca 0.34 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 2xcb h ALA 142 Cb -0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 2xcb h ALA 142 CO -0.07 0.59 0.01 1.25 0.00 0.00 0.00 179.25 181.03 2xcb h LEU 143 N 0.88 0.95 -0.45 0.00 5.85 -1.87 -1.74 115.31 118.93 2xcb h LEU 143 Ca 0.16 -0.30 0.07 0.00 0.84 0.00 0.00 57.88 58.65 2xcb h LEU 143 Cb 0.55 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.27 2xcb h LEU 143 CO 0.03 1.02 0.10 0.00 -0.34 0.00 0.00 178.44 179.25 2xcb h ALA 144 N 0.96 0.51 -0.62 1.25 0.00 -1.31 0.29 119.26 120.34 2xcb h ALA 144 Ca 0.16 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 2xcb h ALA 144 Cb 0.53 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2xcb h ALA 144 CO 0.03 -0.30 0.13 0.00 0.00 0.00 0.00 179.25 179.10 2xcb h ALA 145 N 1.34 1.06 -0.47 0.00 0.00 -1.40 -1.05 119.26 118.74 2xcb h ALA 145 Ca 0.22 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 2xcb h ALA 145 Cb 0.28 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2xcb h ALA 145 CO -0.28 0.61 -0.14 0.00 0.00 0.00 0.00 179.25 179.44 2xcb h ARG 146 N 0.93 0.93 -0.74 0.00 3.08 -0.55 0.47 114.38 118.50 2xcb h ARG 146 Ca 0.19 -0.37 -0.05 0.00 0.07 0.00 0.00 59.98 59.83 2xcb h ARG 146 Cb 0.36 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 2xcb h ARG 146 CO 0.00 1.03 0.27 0.00 -1.07 0.00 0.00 179.97 180.20 2xcb h ALA 147 N 0.88 1.07 -0.34 0.04 0.00 -0.19 0.17 119.26 120.89 2xcb h ALA 147 Ca 0.12 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2xcb h ALA 147 Cb 0.70 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2xcb h ALA 147 CO 0.05 0.65 -0.12 0.78 0.00 0.00 0.00 179.25 180.61 2xcb h GLY 148 N 1.12 0.74 0.95 0.00 0.00 -0.96 0.12 103.07 105.04 2xcb h GLY 148 Ca 0.25 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 2xcb h GLY 148 CO -0.02 0.58 0.10 0.00 0.00 0.00 0.00 176.54 177.20 2xcb h ALA 149 N 0.80 0.21 -0.64 3.60 0.00 -0.62 -1.14 119.26 121.47 2xcb h ALA 149 Ca 0.08 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2xcb h ALA 149 Cb 0.63 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2xcb h ALA 149 CO 0.04 -0.26 0.31 0.52 0.00 0.00 0.00 179.25 179.86 2xcb h MET 150 N 0.18 0.92 -0.44 0.00 2.86 -0.94 -1.19 114.93 116.31 2xcb h MET 150 Ca 0.06 -0.13 0.05 0.00 -2.06 0.00 0.00 59.70 57.61 2xcb h MET 150 Cb 0.05 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.50 2xcb h MET 150 CO -0.01 0.73 0.19 1.25 1.06 0.00 0.00 176.91 180.13 2xcb h LEU 151 N 0.88 0.25 -0.77 1.22 5.85 -0.69 0.02 115.31 122.07 2xcb h LEU 151 Ca 0.22 0.04 0.02 0.00 0.84 0.00 0.00 57.88 59.00 2xcb h LEU 151 Cb 0.11 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 2xcb h LEU 151 CO -0.03 0.18 0.49 -0.33 -0.34 0.00 0.00 178.44 178.42 2xcb h GLU 152 N 0.39 0.95 -0.43 1.25 5.08 -0.97 -0.32 114.58 120.53 2xcb h GLU 152 Ca 0.20 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 2xcb h GLU 152 Cb 0.15 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 2xcb h GLU 152 CO -0.17 0.63 0.23 0.00 -1.00 0.00 0.00 179.01 178.70 2xcb h ALA 153 N 1.31 0.55 -0.41 3.43 0.00 -0.68 -0.50 119.26 122.96 2xcb h ALA 153 Ca 0.30 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 2xcb h ALA 153 Cb -0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2xcb h ALA 153 CO -0.10 0.08 -0.11 0.28 0.00 0.00 0.00 179.25 179.40 2xcb h VAL 154 N 0.55 1.28 -0.69 0.00 2.07 -0.54 -2.50 116.25 116.41 2xcb h VAL 154 Ca 0.15 -1.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.46 2xcb h VAL 154 Cb 0.06 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 2xcb h VAL 154 CO -0.02 0.41 0.43 0.74 0.02 0.00 0.00 177.57 179.14 2xcb h THR 155 N 0.61 1.19 -0.92 2.57 2.02 -0.94 -1.38 112.91 116.07 2xcb h THR 155 Ca 0.10 -0.41 0.13 0.00 0.77 0.00 0.00 66.41 67.00 2xcb h THR 155 Cb 0.64 0.23 -0.09 0.00 -1.74 0.00 0.00 68.15 67.19 2xcb h THR 155 CO 0.04 0.20 0.54 0.00 0.37 0.00 0.00 175.52 176.67 2xcb h ALA 156 N 1.22 1.39 -0.29 6.16 0.00 -0.93 -0.15 119.26 126.66 2xcb h ALA 156 Ca 0.25 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 55.05 2xcb h ALA 156 Cb -0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2xcb h ALA 156 CO -0.05 0.09 -0.44 0.00 0.00 0.00 0.00 179.25 178.85 2xcb h ARG 157 N 0.83 0.74 -0.05 0.00 3.08 -0.99 -3.05 114.38 114.94 2xcb h ARG 157 Ca 0.47 -0.41 -0.13 0.00 0.07 0.00 0.00 59.98 59.98 2xcb h ARG 157 Cb 0.54 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 2xcb h ARG 157 CO -0.30 1.03 -0.56 0.87 -1.07 0.00 0.00 179.97 179.94 2xcb h LYS 158 N 0.59 0.17 -0.01 0.04 1.57 -0.63 -3.52 116.57 114.78 2xcb h LYS 158 Ca 0.04 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2xcb h LYS 158 Cb 1.00 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.32 2xcb h LYS 158 CO 0.10 0.68 0.00 -0.25 -0.57 0.00 0.00 179.45 179.41