#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fal s LEU 2 N 0.00 3.85 0.71 1.04 1.02 -0.56 -5.02 118.68 119.71 2fal s LEU 2 Ca 0.00 -0.19 -0.09 0.00 0.02 0.00 0.00 54.13 53.87 2fal s LEU 2 Cb 0.00 -2.77 0.05 0.00 0.02 0.00 0.00 46.19 43.48 2fal s LEU 2 CO 0.00 -0.56 1.06 -0.94 0.02 0.00 0.00 176.35 175.93 2fal s SER 3 N -4.23 5.02 0.38 2.29 1.04 -1.26 -4.25 113.70 112.70 2fal s SER 3 Ca 0.48 0.75 0.05 0.00 0.48 0.00 0.00 55.95 57.72 2fal s SER 3 Cb -0.10 -1.46 0.77 0.00 0.10 0.00 0.00 66.02 65.33 2fal s SER 3 CO 0.32 -1.52 2.03 0.00 0.98 0.00 0.00 173.24 175.05 2fal h ALA 4 N -0.66 1.65 -0.37 5.32 0.00 -1.96 0.20 119.26 123.44 2fal h ALA 4 Ca -0.45 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.33 2fal h ALA 4 Cb 1.29 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2fal h ALA 4 CO 0.63 0.32 -0.15 0.00 0.00 0.00 0.00 179.25 180.05 2fal h ALA 5 N 1.68 0.52 -0.29 0.00 0.00 -2.00 -1.25 119.26 117.92 2fal h ALA 5 Ca 0.19 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 2fal h ALA 5 Cb -0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2fal h ALA 5 CO -0.04 0.42 -0.29 0.93 0.00 0.00 0.00 179.25 180.27 2fal h GLU 6 N 0.55 0.58 0.00 0.00 5.08 -1.68 -2.55 114.58 116.55 2fal h GLU 6 Ca 0.09 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.13 2fal h GLU 6 Cb 0.68 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 2fal h GLU 6 CO 0.05 0.81 -0.32 0.00 -1.00 0.00 0.00 179.01 178.55 2fal h ALA 7 N 1.18 1.23 -0.61 3.43 0.00 -0.36 0.32 119.26 124.45 2fal h ALA 7 Ca 0.06 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 2fal h ALA 7 Cb 0.76 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2fal h ALA 7 CO 0.06 0.40 0.12 -0.44 0.00 0.00 0.00 179.25 179.39 2fal h ASP 8 N 0.00 0.93 -0.34 0.00 5.19 -0.84 0.02 116.42 121.37 2fal h ASP 8 Ca -0.00 -0.20 -0.11 0.00 -0.62 0.00 0.00 57.03 56.10 2fal h ASP 8 Cb 0.67 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.92 2fal h ASP 8 CO 0.04 0.92 -0.20 -0.07 -3.12 0.00 0.00 179.24 176.81 2fal h LEU 9 N 0.93 0.77 -0.92 1.55 3.38 -0.93 -0.41 115.31 119.68 2fal h LEU 9 Ca 0.19 -0.42 -0.06 0.00 0.09 0.00 0.00 57.88 57.68 2fal h LEU 9 Cb 0.38 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2fal h LEU 9 CO 0.01 1.03 0.15 0.00 0.09 0.00 0.00 178.44 179.71 2fal h ALA 10 N 0.77 1.12 -0.53 1.53 0.00 -0.71 -1.35 119.26 120.10 2fal h ALA 10 Ca 0.07 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 2fal h ALA 10 Cb 0.75 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2fal h ALA 10 CO 0.06 0.59 -0.12 0.78 0.00 0.00 0.00 179.25 180.56 2fal h GLY 11 N 1.02 1.10 0.92 0.00 0.00 -0.69 0.42 103.07 105.84 2fal h GLY 11 Ca 0.20 -0.90 0.02 0.00 0.00 0.00 0.00 47.33 46.64 2fal h GLY 11 CO -0.00 0.82 0.40 0.50 0.00 0.00 0.00 176.54 178.26 2fal h LYS 12 N 0.88 0.77 0.00 4.80 6.56 -0.68 -1.00 116.57 127.90 2fal h LYS 12 Ca 0.13 -0.05 -0.13 0.00 -1.06 0.00 0.00 60.65 59.55 2fal h LYS 12 Cb 0.69 -0.17 -0.02 0.00 -0.57 0.00 0.00 32.23 32.16 2fal h LYS 12 CO 0.05 0.51 -0.60 0.66 -2.06 0.00 0.00 179.45 178.01 2fal h SER 13 N 0.79 0.00 0.92 0.86 4.64 -0.96 -3.25 113.55 116.55 2fal h SER 13 Ca 0.24 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.41 2fal h SER 13 Cb -0.02 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.05 2fal h SER 13 CO -0.08 0.60 -0.75 -0.25 -0.87 0.00 0.00 176.83 175.47 2fal h TRP 14 N 0.00 0.00 -0.58 4.77 2.91 -0.35 -3.38 115.95 119.33 2fal h TRP 14 Ca -0.01 0.00 0.06 0.00 1.13 0.00 0.00 58.89 60.08 2fal h TRP 14 Cb 1.11 0.00 -0.10 0.00 -0.51 0.00 0.00 29.16 29.66 2fal h TRP 14 CO 0.00 0.75 -0.55 0.00 -1.03 0.00 0.00 178.44 177.61 2fal h ALA 15 N 1.25 -0.66 0.00 2.65 0.00 -1.24 0.25 119.26 121.51 2fal h ALA 15 Ca -0.01 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2fal h ALA 15 Cb 1.42 1.17 -0.00 0.00 0.00 0.00 0.00 17.79 20.37 2fal h ALA 15 CO 0.10 -1.00 -0.03 -1.35 0.00 0.00 0.00 179.25 176.96 2fal h PRO 16 N -0.28 0.00 0.11 0.00 0.11 -1.77 0.51 132.00 130.68 2fal h PRO 16 Ca 0.11 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.21 2fal h PRO 16 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 2fal h PRO 16 CO -0.70 0.03 -0.05 0.28 -0.21 0.00 0.00 178.00 177.36 2fal h VAL 17 N 0.00 1.09 0.00 3.15 2.07 -1.08 -3.18 116.25 118.31 2fal h VAL 17 Ca -0.00 -1.20 -0.02 0.00 0.82 0.00 0.00 66.70 66.30 2fal h VAL 17 Cb 0.07 1.80 -0.00 0.00 -1.52 0.00 0.00 31.29 31.63 2fal h VAL 17 CO 0.00 0.27 -0.10 0.15 0.02 0.00 0.00 177.57 177.92 2fal h PHE 18 N -0.74 0.00 -0.59 1.57 3.57 -0.27 -2.89 116.94 117.59 2fal h PHE 18 Ca -0.01 0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.66 2fal h PHE 18 Cb 0.55 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 2fal h PHE 18 CO 0.10 0.10 0.45 0.00 -2.23 0.00 0.00 178.31 176.73 2fal h ALA 19 N 1.90 2.50 -2.16 2.41 0.00 -0.88 -1.83 119.26 121.20 2fal h ALA 19 Ca -0.00 -0.02 -0.59 0.00 0.00 0.00 0.00 54.91 54.30 2fal h ALA 19 Cb 0.30 0.04 -0.41 0.00 0.00 0.00 0.00 17.79 17.72 2fal h ALA 19 CO 0.01 -0.75 -0.72 0.09 0.00 0.00 0.00 179.25 177.88 2fal n ASN 20 N -4.22 3.07 -0.28 0.00 5.03 -1.09 -4.96 115.26 112.81 2fal n ASN 20 Ca 0.11 -3.32 -0.04 0.00 0.87 0.00 0.00 54.58 52.20 2fal n ASN 20 Cb 0.69 -0.65 0.08 0.00 -1.02 0.00 0.00 39.78 38.88 2fal n ASN 20 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 2fal h LYS 21 N 3.92 1.00 0.67 3.52 3.64 -1.47 -0.25 116.57 127.61 2fal h LYS 21 Ca 0.16 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 2fal h LYS 21 Cb 0.69 -0.23 0.01 0.00 -0.41 0.00 0.00 32.23 32.29 2fal h LYS 21 CO 0.75 0.66 -0.32 -0.91 -2.27 0.00 0.00 179.45 177.36 2fal h ASN 22 N 1.03 -0.76 -0.28 4.20 -0.26 -1.93 0.20 115.58 117.79 2fal h ASN 22 Ca 0.29 0.02 -0.04 0.00 -0.56 0.00 0.00 56.30 56.01 2fal h ASN 22 Cb -0.08 0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.36 2fal h ASN 22 CO -0.08 -0.53 0.01 0.00 -1.06 0.00 0.00 177.43 175.77 2fal h ALA 23 N -0.58 0.37 -0.16 -0.83 0.00 -1.96 -1.25 119.26 114.85 2fal h ALA 23 Ca -0.09 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.45 2fal h ALA 23 Cb 0.69 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2fal h ALA 23 CO 0.15 0.11 -0.53 -0.91 0.00 0.00 0.00 179.25 178.06 2fal h ASN 24 N 0.28 0.53 -0.40 0.00 -0.26 -1.06 -0.64 115.58 114.03 2fal h ASN 24 Ca 0.08 -0.28 -0.14 0.00 -0.56 0.00 0.00 56.30 55.41 2fal h ASN 24 Cb 0.41 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.51 2fal h ASN 24 CO 0.01 0.96 -0.27 1.23 -1.06 0.00 0.00 177.43 178.30 2fal h GLY 25 N 1.14 1.00 1.09 2.83 0.00 -0.52 -0.58 103.07 108.03 2fal h GLY 25 Ca 0.01 -0.92 -0.05 0.00 0.00 0.00 0.00 47.33 46.37 2fal h GLY 25 CO 0.10 0.84 0.28 1.41 0.00 0.00 0.00 176.54 179.16 2fal h LEU 26 N 0.78 1.07 -1.27 3.11 4.07 -1.09 -2.78 115.31 119.20 2fal h LEU 26 Ca 0.09 -0.18 -0.01 0.00 0.08 0.00 0.00 57.88 57.86 2fal h LEU 26 Cb 0.84 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 42.27 2fal h LEU 26 CO 0.07 0.96 0.34 0.44 -1.08 0.00 0.00 178.44 179.18 2fal h ASP 27 N 1.11 0.75 -0.12 -0.43 3.32 -0.69 -2.41 116.42 117.96 2fal h ASP 27 Ca 0.25 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 2fal h ASP 27 Cb 0.25 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2fal h ASP 27 CO -0.02 0.60 0.07 0.15 -1.72 0.00 0.00 179.24 178.32 2fal h PHE 28 N 0.85 0.16 -0.34 4.55 3.57 -0.86 -0.79 116.94 124.08 2fal h PHE 28 Ca 0.22 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.74 2fal h PHE 28 Cb 0.01 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 2fal h PHE 28 CO 0.00 0.16 0.18 1.25 -2.23 0.00 0.00 178.31 177.68 2fal h LEU 29 N 0.11 0.28 -0.04 0.59 5.85 -1.19 -0.99 115.31 119.93 2fal h LEU 29 Ca 0.04 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2fal h LEU 29 Cb 0.05 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 2fal h LEU 29 CO -0.01 0.21 0.02 0.58 -0.34 0.00 0.00 178.44 178.90 2fal h VAL 30 N 0.37 1.02 -0.76 1.05 2.07 -1.36 -1.55 116.25 117.08 2fal h VAL 30 Ca 0.14 -0.04 0.13 0.00 0.82 0.00 0.00 66.70 67.75 2fal h VAL 30 Cb 0.03 0.98 -0.09 0.00 -1.52 0.00 0.00 31.29 30.69 2fal h VAL 30 CO -0.08 0.01 0.35 0.00 0.02 0.00 0.00 177.57 177.87 2fal h ALA 31 N 1.00 1.09 -0.27 1.67 0.00 -0.92 0.68 119.26 122.52 2fal h ALA 31 Ca 0.01 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2fal h ALA 31 Cb 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2fal h ALA 31 CO -0.00 -0.13 0.09 1.25 0.00 0.00 0.00 179.25 180.46 2fal h LEU 32 N 0.53 0.11 -1.06 0.00 5.85 -0.86 0.11 115.31 119.99 2fal h LEU 32 Ca 0.41 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 59.07 2fal h LEU 32 Cb 0.56 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 2fal h LEU 32 CO -0.35 0.10 -0.27 -0.26 -0.34 0.00 0.00 178.44 177.31 2fal h PHE 33 N 0.22 0.38 -0.13 1.25 0.04 -0.26 0.17 116.94 118.60 2fal h PHE 33 Ca 0.12 -0.08 -0.07 0.00 2.80 0.00 0.00 57.97 60.73 2fal h PHE 33 Cb 0.08 -0.09 -0.00 0.00 2.20 0.00 0.00 35.95 38.14 2fal h PHE 33 CO -0.13 0.59 -0.21 0.93 -0.60 0.00 0.00 178.31 178.89 2fal h GLU 34 N 0.30 0.37 -0.02 1.51 5.08 -0.30 -2.85 114.58 118.67 2fal h GLU 34 Ca 0.05 -0.23 -0.21 0.00 -1.00 0.00 0.00 59.36 57.97 2fal h GLU 34 Cb 0.64 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 2fal h GLU 34 CO 0.05 0.81 -0.88 0.87 -1.00 0.00 0.00 179.01 178.86 2fal h LYS 35 N -0.04 0.36 -2.42 2.33 1.57 -0.58 -3.37 116.57 114.43 2fal h LYS 35 Ca 0.01 -0.37 -0.59 0.00 -1.87 0.00 0.00 60.65 57.83 2fal h LYS 35 Cb 0.79 0.10 -0.40 0.00 0.08 0.00 0.00 32.23 32.80 2fal h LYS 35 CO 0.05 1.04 -0.83 1.19 -0.57 0.00 0.00 179.45 180.33 2fal n PHE 36 N -3.75 1.16 -0.36 -1.35 3.72 0.56 -4.98 117.46 112.47 2fal n PHE 36 Ca -0.06 -3.79 0.33 0.00 -0.05 0.00 0.00 57.45 53.89 2fal n PHE 36 Cb 0.80 -0.27 0.68 0.00 -0.94 0.00 0.00 39.48 39.75 2fal n PHE 36 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2fal h PRO 37 N 4.87 0.11 0.00 -1.08 0.13 -1.68 0.14 132.00 134.49 2fal h PRO 37 Ca 0.18 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2fal h PRO 37 Cb 0.81 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.92 2fal h PRO 37 CO 0.57 0.07 0.00 0.38 -0.23 0.00 0.00 178.00 178.79 2fal h ASP 38 N 0.11 0.00 -0.84 1.44 2.03 -1.94 -3.07 116.42 114.16 2fal h ASP 38 Ca 0.62 0.00 0.09 0.00 -0.73 0.00 0.00 57.03 57.00 2fal h ASP 38 Cb 2.18 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 40.62 2fal h ASP 38 CO -0.12 0.00 0.54 0.28 -1.03 0.00 0.00 179.24 178.91 2fal h SER 39 N 0.00 0.74 -0.04 4.15 0.02 -1.06 -1.58 113.55 115.78 2fal h SER 39 Ca 0.00 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.97 2fal h SER 39 Cb 0.31 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.71 2fal h SER 39 CO 0.00 0.45 0.03 0.00 -1.14 0.00 0.00 176.83 176.17 2fal h ALA 40 N 1.57 2.02 0.00 3.77 0.00 -1.73 -0.52 119.26 124.37 2fal h ALA 40 Ca 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2fal h ALA 40 Cb 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2fal h ALA 40 CO -0.15 -0.02 0.00 0.09 0.00 0.00 0.00 179.25 179.17 2fal n ASN 41 N -4.53 0.05 -0.00 0.00 3.02 -0.59 -1.46 115.26 111.75 2fal n ASN 41 Ca -0.02 0.51 0.13 0.00 -0.03 0.00 0.00 54.58 55.18 2fal n ASN 41 Cb 0.12 -0.52 0.50 0.00 -0.61 0.00 0.00 39.78 39.26 2fal n ASN 41 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2fal n PHE 42 N -1.56 0.00 -3.86 3.10 3.01 -0.20 -4.74 117.46 113.21 2fal n PHE 42 Ca 0.03 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.13 2fal n PHE 42 Cb 0.14 -0.41 -0.10 0.00 -0.01 0.00 0.00 39.48 39.10 2fal n PHE 42 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 2fal s PHE 43 N -2.98 3.23 0.13 1.38 0.40 -0.53 -4.96 117.98 114.64 2fal s PHE 43 Ca 0.13 0.01 -0.23 0.00 -0.60 0.00 0.00 56.93 56.25 2fal s PHE 43 Cb 0.19 -2.17 -0.03 0.00 0.51 0.00 0.00 43.02 41.52 2fal s PHE 43 CO 0.58 0.02 1.66 0.00 0.70 0.00 0.00 175.22 178.19 2fal h ALA 44 N 7.26 -0.12 -0.39 5.36 0.00 -1.85 -0.04 119.26 129.48 2fal h ALA 44 Ca -0.37 0.04 0.10 0.00 0.00 0.00 0.00 54.91 54.68 2fal h ALA 44 Cb 1.17 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 2fal h ALA 44 CO 0.66 -0.63 0.27 -0.44 0.00 0.00 0.00 179.25 179.11 2fal h ASP 45 N -0.22 0.06 -0.07 0.00 3.32 -1.93 -3.18 116.42 114.41 2fal h ASP 45 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2fal h ASP 45 Cb 0.35 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.89 2fal h ASP 45 CO -0.24 0.04 0.00 0.49 -1.72 0.00 0.00 179.24 177.81 2fal n PHE 46 N -4.44 0.09 -1.66 4.55 3.72 -0.67 -4.96 117.46 114.09 2fal n PHE 46 Ca 0.06 -0.19 -0.46 0.00 -0.05 0.00 0.00 57.45 56.80 2fal n PHE 46 Cb 0.41 -0.02 -0.04 0.00 -0.94 0.00 0.00 39.48 38.90 2fal n PHE 46 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2fal n LYS 47 N 0.18 1.99 0.00 -1.08 4.81 -0.12 -1.00 118.16 122.95 2fal n LYS 47 Ca 0.04 0.72 0.00 0.00 -0.87 0.00 0.00 58.31 58.20 2fal n LYS 47 Cb 0.21 -2.44 0.00 0.00 0.02 0.00 0.00 35.03 32.82 2fal n LYS 47 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2fal n GLY 48 N 3.02 2.91 3.79 3.14 0.00 -1.26 -5.00 105.19 111.79 2fal n GLY 48 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 2fal n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fal s LYS 49 N -0.07 3.05 0.52 1.61 1.02 -0.17 -5.05 119.74 120.64 2fal s LYS 49 Ca 0.00 1.26 -0.01 0.00 0.02 0.00 0.00 55.97 57.24 2fal s LYS 49 Cb 0.00 -1.99 0.01 0.00 -0.52 0.00 0.00 37.83 35.33 2fal s LYS 49 CO 0.00 -1.04 0.77 -1.54 -0.92 0.00 0.00 175.35 172.62 2fal s SER 50 N -2.79 5.61 0.28 2.83 1.04 -1.26 -4.88 113.70 114.54 2fal s SER 50 Ca 0.64 0.35 0.02 0.00 0.48 0.00 0.00 55.95 57.44 2fal s SER 50 Cb -0.18 -1.43 0.56 0.00 0.10 0.00 0.00 66.02 65.07 2fal s SER 50 CO 0.41 -0.92 1.83 0.58 0.98 0.00 0.00 173.24 176.12 2fal h VAL 51 N 0.14 0.91 -0.40 5.02 2.07 -1.96 -0.99 116.25 121.03 2fal h VAL 51 Ca -0.45 -0.34 0.04 0.00 0.82 0.00 0.00 66.70 66.77 2fal h VAL 51 Cb 1.26 -0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 2fal h VAL 51 CO 0.57 0.18 0.18 0.00 0.02 0.00 0.00 177.57 178.53 2fal h ALA 52 N 1.54 0.49 -0.52 1.67 0.00 -1.99 0.11 119.26 120.57 2fal h ALA 52 Ca 0.50 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.46 2fal h ALA 52 Cb 0.50 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2fal h ALA 52 CO -0.27 -0.19 0.30 -0.44 0.00 0.00 0.00 179.25 178.65 2fal h ASP 53 N 0.38 0.47 -0.34 0.00 3.32 -1.68 -1.20 116.42 117.36 2fal h ASP 53 Ca 0.17 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 2fal h ASP 53 Cb 0.10 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 2fal h ASP 53 CO -0.14 0.33 0.21 0.40 -1.72 0.00 0.00 179.24 178.32 2fal h ILE 54 N 0.59 1.11 -0.15 0.35 2.04 -0.38 -1.59 117.51 119.46 2fal h ILE 54 Ca 0.21 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 2fal h ILE 54 Cb 0.05 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 2fal h ILE 54 CO -0.11 0.11 -0.01 0.11 0.00 0.00 0.00 178.15 178.24 2fal h LYS 55 N 0.45 0.22 -0.25 2.37 1.57 -0.58 -2.10 116.57 118.25 2fal h LYS 55 Ca 0.12 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2fal h LYS 55 Cb -0.01 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.26 2fal h LYS 55 CO -0.02 0.26 0.00 0.00 -0.57 0.00 0.00 179.45 179.11 2fal n ALA 56 N -2.50 2.47 -1.76 3.86 0.00 -0.47 -4.93 120.51 117.18 2fal n ALA 56 Ca -0.01 -0.73 -0.39 0.00 0.00 0.00 0.00 53.44 52.32 2fal n ALA 56 Cb 0.17 -0.98 -0.06 0.00 0.00 0.00 0.00 19.45 18.58 2fal n ALA 56 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2fal s SER 57 N -1.56 7.53 0.00 0.00 0.15 -0.65 -4.91 113.70 114.26 2fal s SER 57 Ca 0.35 1.91 0.30 0.00 0.70 0.00 0.00 55.95 59.20 2fal s SER 57 Cb 0.20 -2.60 1.75 0.00 -1.71 0.00 0.00 66.02 63.66 2fal s SER 57 CO 0.29 0.07 2.10 -2.65 1.20 0.00 0.00 173.24 174.25 2fal n PRO 58 N 1.13 0.90 0.02 5.44 -0.02 -1.26 -2.58 135.00 138.63 2fal n PRO 58 Ca -0.00 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.59 2fal n PRO 58 Cb 0.48 -1.50 0.10 0.00 -0.02 0.00 0.00 33.50 32.57 2fal n PRO 58 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2fal n LYS 59 N -1.01 0.18 -0.28 -0.52 5.02 -1.26 -4.46 118.16 115.82 2fal n LYS 59 Ca 0.22 0.01 -0.01 0.00 -2.02 0.00 0.00 58.31 56.51 2fal n LYS 59 Cb 0.11 -1.57 0.11 0.00 -0.02 0.00 0.00 35.03 33.66 2fal n LYS 59 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2fal h LEU 60 N 0.00 0.78 -1.13 -0.35 5.85 -1.77 -2.76 115.31 115.93 2fal h LEU 60 Ca 0.00 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 2fal h LEU 60 Cb 0.65 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 2fal h LEU 60 CO 0.00 0.51 0.24 -0.09 -0.34 0.00 0.00 178.44 178.77 2fal h ARG 61 N 0.92 0.86 -0.50 1.25 9.65 -1.82 -0.12 114.38 124.61 2fal h ARG 61 Ca 0.33 -0.13 -0.10 0.00 -1.10 0.00 0.00 59.98 58.98 2fal h ARG 61 Cb 0.10 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 28.51 2fal h ARG 61 CO -0.15 0.70 -0.09 -0.44 2.80 0.00 0.00 179.97 182.79 2fal h ASP 62 N 0.85 0.90 -0.04 -3.80 5.19 -1.78 -1.13 116.42 116.61 2fal h ASP 62 Ca 0.20 -0.28 -0.03 0.00 -0.62 0.00 0.00 57.03 56.30 2fal h ASP 62 Cb 0.16 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.42 2fal h ASP 62 CO -0.02 1.01 -0.10 0.58 -3.12 0.00 0.00 179.24 177.59 2fal h VAL 63 N 0.82 1.44 -0.90 -1.35 2.07 -1.20 -2.36 116.25 114.78 2fal h VAL 63 Ca 0.14 -1.46 -0.01 0.00 0.82 0.00 0.00 66.70 66.19 2fal h VAL 63 Cb 0.61 2.31 -0.04 0.00 -1.52 0.00 0.00 31.29 32.64 2fal h VAL 63 CO 0.04 0.40 0.53 0.77 0.02 0.00 0.00 177.57 179.33 2fal h SER 64 N -0.39 1.08 -0.43 0.57 4.64 -1.07 -2.64 113.55 115.31 2fal h SER 64 Ca -0.00 -0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.23 2fal h SER 64 Cb 0.70 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 2fal h SER 64 CO 0.02 0.84 0.19 0.77 -0.87 0.00 0.00 176.83 177.78 2fal h SER 65 N 1.24 0.58 -0.58 4.97 4.64 -1.24 0.30 113.55 123.47 2fal h SER 65 Ca 0.32 -0.15 -0.04 0.00 -0.47 0.00 0.00 61.79 61.45 2fal h SER 65 Cb -0.04 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 61.87 2fal h SER 65 CO -0.06 0.57 0.22 0.08 -0.87 0.00 0.00 176.83 176.77 2fal h ARG 66 N 0.55 0.92 0.13 4.77 0.11 -1.19 0.97 114.38 120.63 2fal h ARG 66 Ca 0.15 -0.16 -0.01 0.00 0.10 0.00 0.00 59.98 60.06 2fal h ARG 66 Cb 0.16 -0.15 0.00 0.00 1.11 0.00 0.00 29.97 31.09 2fal h ARG 66 CO -0.01 0.77 -0.06 0.82 0.10 0.00 0.00 179.97 181.58 2fal h ILE 67 N 0.89 0.94 -0.72 0.08 2.04 -1.21 -1.67 117.51 117.87 2fal h ILE 67 Ca 0.21 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 2fal h ILE 67 Cb 0.22 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 2fal h ILE 67 CO -0.01 0.06 0.38 -0.26 0.00 0.00 0.00 178.15 178.32 2fal h PHE 68 N -0.30 1.00 -0.37 1.37 -1.00 -0.67 0.17 116.94 117.14 2fal h PHE 68 Ca -0.02 -0.03 -0.03 0.00 2.81 0.00 0.00 57.97 60.71 2fal h PHE 68 Cb 0.24 -0.32 -0.02 0.00 3.61 0.00 0.00 35.95 39.46 2fal h PHE 68 CO -0.03 0.71 0.13 1.15 -1.61 0.00 0.00 178.31 178.66 2fal h THR 69 N 1.02 1.20 -0.33 -1.55 2.02 -0.67 -1.08 112.91 113.52 2fal h THR 69 Ca 0.25 -0.64 -0.16 0.00 0.77 0.00 0.00 66.41 66.63 2fal h THR 69 Cb 0.06 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 2fal h THR 69 CO -0.04 0.23 -0.43 -0.09 0.37 0.00 0.00 175.52 175.55 2fal h ARG 70 N 0.45 0.84 -0.79 6.66 9.65 -0.87 -2.91 114.38 127.41 2fal h ARG 70 Ca 0.12 -0.46 -0.04 0.00 -1.10 0.00 0.00 59.98 58.50 2fal h ARG 70 Cb 0.22 0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 28.79 2fal h ARG 70 CO -0.01 1.10 0.35 -0.07 2.80 0.00 0.00 179.97 184.14 2fal h LEU 71 N 0.67 1.05 -0.81 3.80 3.38 -0.58 -1.07 115.31 121.76 2fal h LEU 71 Ca 0.04 -0.14 0.07 0.00 0.09 0.00 0.00 57.88 57.94 2fal h LEU 71 Cb 1.01 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.43 2fal h LEU 71 CO 0.10 0.91 0.48 -1.13 0.09 0.00 0.00 178.44 178.89 2fal h ASN 72 N 1.13 0.74 0.38 -0.43 -0.73 -1.07 -0.69 115.58 114.92 2fal h ASN 72 Ca 0.27 0.02 -0.10 0.00 1.87 0.00 0.00 56.30 58.36 2fal h ASN 72 Cb 0.16 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 38.61 2fal h ASN 72 CO -0.03 0.47 -0.45 -0.33 -0.37 0.00 0.00 177.43 176.72 2fal h GLU 73 N 0.87 0.09 -0.62 6.67 4.39 -1.10 -1.75 114.58 123.13 2fal h GLU 73 Ca 0.36 -0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.92 2fal h GLU 73 Cb 0.20 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 2fal h GLU 73 CO -0.19 0.53 0.01 0.74 -1.16 0.00 0.00 179.01 178.94 2fal h PHE 74 N 0.07 1.18 -0.38 4.33 0.04 0.03 -2.03 116.94 120.18 2fal h PHE 74 Ca 0.00 -0.20 -0.01 0.00 2.80 0.00 0.00 57.97 60.57 2fal h PHE 74 Cb 0.83 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.66 2fal h PHE 74 CO 0.01 1.03 0.21 0.28 -0.60 0.00 0.00 178.31 179.23 2fal h VAL 75 N 0.99 1.15 -0.16 -0.55 2.07 -1.01 0.19 116.25 118.93 2fal h VAL 75 Ca 0.18 -0.38 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 2fal h VAL 75 Cb 0.55 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2fal h VAL 75 CO 0.03 0.15 -0.13 0.78 0.02 0.00 0.00 177.57 178.42 2fal h ASN 76 N 0.48 0.24 -0.25 0.57 2.35 -1.19 -3.05 115.58 114.73 2fal h ASN 76 Ca 0.13 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 2fal h ASN 76 Cb 0.06 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2fal h ASN 76 CO -0.02 0.40 0.00 0.59 -1.65 0.00 0.00 177.43 176.75 2fal n ASN 77 N -4.26 2.91 -0.07 5.81 3.02 -0.69 -4.69 115.26 117.29 2fal n ASN 77 Ca -0.01 -1.85 0.25 0.00 -0.03 0.00 0.00 54.58 52.94 2fal n ASN 77 Cb 0.28 -0.16 0.72 0.00 -0.61 0.00 0.00 39.78 40.01 2fal n ASN 77 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2fal h ALA 78 N 3.42 2.59 -0.38 5.41 0.00 -0.53 -1.04 119.26 128.72 2fal h ALA 78 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2fal h ALA 78 Cb 0.80 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2fal h ALA 78 CO 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 179.25 178.34 2fal n ALA 79 N -2.59 2.45 -3.86 0.00 0.00 -1.26 -1.50 120.51 113.74 2fal n ALA 79 Ca 0.14 -0.75 -0.34 0.00 0.00 0.00 0.00 53.44 52.49 2fal n ALA 79 Cb 0.81 -0.98 -0.12 0.00 0.00 0.00 0.00 19.45 19.16 2fal n ALA 79 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2fal s ASN 80 N -1.17 4.96 0.58 0.00 3.84 -0.40 -4.81 114.94 117.95 2fal s ASN 80 Ca 0.31 -2.41 0.28 0.00 0.21 0.00 0.00 52.86 51.25 2fal s ASN 80 Cb 0.17 -1.75 1.56 0.00 -0.55 0.00 0.00 41.25 40.68 2fal s ASN 80 CO 0.23 -0.41 2.01 0.00 -2.79 0.00 0.00 177.10 176.14 2fal h ALA 81 N 7.45 2.01 0.56 1.71 0.00 -1.82 -1.01 119.26 128.16 2fal h ALA 81 Ca -0.07 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2fal h ALA 81 Cb 0.99 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.81 2fal h ALA 81 CO 0.65 -0.49 -0.27 0.78 0.00 0.00 0.00 179.25 179.92 2fal h GLY 82 N 0.00 -0.78 1.84 0.00 0.00 -1.92 -0.94 103.07 101.27 2fal h GLY 82 Ca 0.15 0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.74 2fal h GLY 82 CO -0.00 -0.28 -0.03 0.50 0.00 0.00 0.00 176.54 176.73 2fal h LYS 83 N -0.82 0.21 -0.43 4.80 1.57 -1.81 -2.73 116.57 117.37 2fal h LYS 83 Ca -0.08 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 2fal h LYS 83 Cb 0.58 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 2fal h LYS 83 CO 0.13 0.26 0.15 0.52 -0.57 0.00 0.00 179.45 179.93 2fal h MET 84 N 0.21 0.66 -0.23 3.15 2.86 -1.00 0.11 114.93 120.69 2fal h MET 84 Ca 0.05 -0.13 0.06 0.00 -2.06 0.00 0.00 59.70 57.62 2fal h MET 84 Cb 0.19 -0.10 -0.07 0.00 0.06 0.00 0.00 31.60 31.68 2fal h MET 84 CO 0.01 0.63 -0.21 0.77 1.06 0.00 0.00 176.91 179.16 2fal h SER 85 N 0.56 -0.68 0.54 1.22 0.02 -0.85 0.38 113.55 114.73 2fal h SER 85 Ca 0.14 0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 61.19 2fal h SER 85 Cb 0.23 0.33 0.01 0.00 0.14 0.00 0.00 62.40 63.10 2fal h SER 85 CO -0.01 -0.25 -0.26 0.00 -1.14 0.00 0.00 176.83 175.17 2fal h ALA 86 N 0.86 -0.72 -0.77 3.77 0.00 -1.43 -2.03 119.26 118.95 2fal h ALA 86 Ca 0.13 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.96 2fal h ALA 86 Cb 0.42 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.42 2fal h ALA 86 CO -0.36 -0.88 0.44 0.52 0.00 0.00 0.00 179.25 178.96 2fal h MET 87 N -0.76 0.74 -0.17 0.00 2.86 -0.48 -2.73 114.93 114.39 2fal h MET 87 Ca -0.07 -0.04 -0.15 0.00 -2.06 0.00 0.00 59.70 57.37 2fal h MET 87 Cb 0.57 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 2fal h MET 87 CO 0.12 0.49 -0.54 -0.07 1.06 0.00 0.00 176.91 177.97 2fal h LEU 88 N 0.76 0.55 -0.10 1.22 3.38 -0.12 -0.78 115.31 120.21 2fal h LEU 88 Ca 0.36 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2fal h LEU 88 Cb 0.29 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2fal h LEU 88 CO -0.22 0.98 0.05 -1.28 0.09 0.00 0.00 178.44 178.05 2fal h SER 89 N 0.38 0.14 0.16 -0.43 0.87 -1.08 0.20 113.55 113.79 2fal h SER 89 Ca 0.01 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.44 2fal h SER 89 Cb 1.06 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 2fal h SER 89 CO 0.10 0.22 -0.08 -0.61 -0.53 0.00 0.00 176.83 175.93 2fal h GLN 90 N 0.04 -0.21 -0.40 2.24 5.75 -1.50 0.13 115.11 121.16 2fal h GLN 90 Ca 0.04 0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.62 2fal h GLN 90 Cb 0.12 0.05 -0.06 0.00 1.07 0.00 0.00 27.48 28.66 2fal h GLN 90 CO -0.00 0.00 0.02 0.35 -2.65 0.00 0.00 178.83 176.55 2fal h PHE 91 N -0.40 0.02 -0.52 3.99 3.57 -1.03 -0.62 116.94 121.95 2fal h PHE 91 Ca -0.02 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 2fal h PHE 91 Cb 0.31 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 2fal h PHE 91 CO -0.01 -0.05 0.07 0.00 -2.23 0.00 0.00 178.31 176.09 2fal h ALA 92 N 1.34 0.70 -0.59 2.41 0.00 -0.30 -2.46 119.26 120.36 2fal h ALA 92 Ca 0.20 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.91 2fal h ALA 92 Cb 0.27 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 2fal h ALA 92 CO -0.31 0.44 0.30 0.87 0.00 0.00 0.00 179.25 180.56 2fal h LYS 93 N 0.75 0.56 0.54 0.00 1.57 -0.01 -1.42 116.57 118.56 2fal h LYS 93 Ca 0.16 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 2fal h LYS 93 Cb 0.42 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 2fal h LYS 93 CO 0.01 0.37 -0.48 0.93 -0.57 0.00 0.00 179.45 179.71 2fal h GLU 94 N 0.57 -0.97 -0.28 3.15 5.08 -1.08 -3.04 114.58 118.01 2fal h GLU 94 Ca 0.26 0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.73 2fal h GLU 94 Cb 0.17 0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 2fal h GLU 94 CO -0.18 -0.65 0.04 0.45 -1.00 0.00 0.00 179.01 177.67 2fal h HIS 95 N -1.01 0.06 -0.85 4.33 3.86 -1.07 -2.85 115.15 117.62 2fal h HIS 95 Ca -0.07 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.20 2fal h HIS 95 Cb 0.86 0.02 -0.05 0.00 1.06 0.00 0.00 27.41 29.29 2fal h HIS 95 CO -0.22 0.00 0.56 0.28 0.86 0.00 0.00 177.93 179.41 2fal h VAL 96 N 0.14 1.11 0.00 2.45 2.07 -1.33 0.10 116.25 120.79 2fal h VAL 96 Ca 0.13 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 2fal h VAL 96 Cb 0.15 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.92 2fal h VAL 96 CO -0.19 0.19 -0.07 1.23 0.02 0.00 0.00 177.57 178.75 2fal h GLY 97 N 1.02 0.00 -1.28 2.17 0.00 -1.38 -0.40 103.07 103.20 2fal h GLY 97 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 2fal h GLY 97 CO -0.11 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.12 2fal n PHE 98 N -3.59 0.17 -0.39 5.60 3.72 0.29 -4.92 117.46 118.33 2fal n PHE 98 Ca -0.02 -0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 2fal n PHE 98 Cb 0.18 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 2fal n PHE 98 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2fal n GLY 99 N 1.27 0.76 3.81 1.37 0.00 -0.16 -5.03 105.19 107.22 2fal n GLY 99 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 2fal n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fal s VAL 100 N -2.28 4.84 0.34 1.61 1.01 -0.85 -4.98 120.40 120.09 2fal s VAL 100 Ca 0.00 1.11 0.03 0.00 0.00 0.00 0.00 61.98 63.11 2fal s VAL 100 Cb 0.00 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 2fal s VAL 100 CO 0.00 0.55 0.09 0.61 0.00 0.00 0.00 175.10 176.35 2fal n GLY 101 N 1.82 3.47 0.28 4.51 0.00 -1.26 -3.70 105.19 110.31 2fal n GLY 101 Ca -0.11 -2.13 0.04 0.00 0.00 0.00 0.00 46.02 43.82 2fal n GLY 101 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2fal h SER 102 N 1.23 0.31 -0.33 1.61 4.64 -1.75 -1.82 113.55 117.44 2fal h SER 102 Ca -0.27 -0.03 0.06 0.00 -0.47 0.00 0.00 61.79 61.08 2fal h SER 102 Cb 0.98 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.98 2fal h SER 102 CO 0.44 0.30 0.23 0.00 -0.87 0.00 0.00 176.83 176.92 2fal h ALA 103 N 1.75 2.07 0.00 5.18 0.00 -1.96 0.66 119.26 126.96 2fal h ALA 103 Ca 0.09 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 2fal h ALA 103 Cb 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2fal h ALA 103 CO -0.01 -0.14 -0.44 1.96 0.00 0.00 0.00 179.25 180.62 2fal h GLN 104 N 0.19 0.00 0.00 0.00 7.50 -1.74 -2.01 115.11 119.05 2fal h GLN 104 Ca 0.15 0.00 -0.08 0.00 0.50 0.00 0.00 58.65 59.22 2fal h GLN 104 Cb 0.35 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.87 2fal h GLN 104 CO -0.02 0.44 -0.54 0.74 -1.50 0.00 0.00 178.83 177.95 2fal h PHE 105 N 0.00 0.00 -0.48 2.96 0.04 -1.05 -2.35 116.94 116.07 2fal h PHE 105 Ca -0.00 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 2fal h PHE 105 Cb 1.05 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.18 2fal h PHE 105 CO 0.00 0.36 0.11 0.93 -0.60 0.00 0.00 178.31 179.11 2fal h GLU 106 N 0.00 0.76 -0.25 1.51 5.08 -0.38 -1.51 114.58 119.80 2fal h GLU 106 Ca -0.02 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 58.17 2fal h GLU 106 Cb 1.29 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 2fal h GLU 106 CO 0.04 0.75 0.12 -0.91 -1.00 0.00 0.00 179.01 178.01 2fal h ASN 107 N 0.65 0.17 -0.71 1.42 -0.26 -1.33 -0.03 115.58 115.49 2fal h ASN 107 Ca 0.15 0.01 0.05 0.00 -0.56 0.00 0.00 56.30 55.95 2fal h ASN 107 Cb 0.33 -0.02 -0.05 0.00 -1.06 0.00 0.00 38.32 37.52 2fal h ASN 107 CO 0.00 0.13 0.42 0.58 -1.06 0.00 0.00 177.43 177.51 2fal h VAL 108 N 0.25 1.02 -0.83 2.81 2.07 -1.16 -2.17 116.25 118.24 2fal h VAL 108 Ca 0.10 -0.27 0.03 0.00 0.82 0.00 0.00 66.70 67.38 2fal h VAL 108 Cb 0.04 0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 29.92 2fal h VAL 108 CO -0.08 0.14 0.55 -0.09 0.02 0.00 0.00 177.57 178.12 2fal h ARG 109 N 0.79 1.03 -0.76 1.57 2.43 -0.71 0.37 114.38 119.11 2fal h ARG 109 Ca 0.30 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.38 2fal h ARG 109 Cb 0.13 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 2fal h ARG 109 CO -0.15 0.68 0.33 0.66 -1.51 0.00 0.00 179.97 179.98 2fal h SER 110 N 1.06 1.02 0.03 -3.80 4.64 -0.36 -3.19 113.55 112.95 2fal h SER 110 Ca 0.32 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2fal h SER 110 Cb -0.02 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 61.81 2fal h SER 110 CO -0.09 0.89 -0.91 1.15 -0.87 0.00 0.00 176.83 176.99 2fal n MET 111 N -4.30 0.12 0.17 4.77 0.00 -0.77 -4.59 117.12 112.52 2fal n MET 111 Ca 0.07 -0.09 -0.14 0.00 0.00 0.00 0.00 57.70 57.53 2fal n MET 111 Cb 0.16 -1.50 -0.08 0.00 0.00 0.00 0.00 33.22 31.81 2fal n MET 111 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 175.97 176.32 2fal h PHE 112 N 0.23 -0.34 -1.00 3.17 3.57 -0.94 -1.98 116.94 119.66 2fal h PHE 112 Ca 0.00 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.58 2fal h PHE 112 Cb 0.52 0.11 -0.07 0.00 2.79 0.00 0.00 35.95 39.30 2fal h PHE 112 CO 0.00 -0.19 0.64 -1.35 -2.23 0.00 0.00 178.31 175.18 2fal h PRO 113 N -0.39 1.05 -0.16 6.41 0.11 -1.81 0.35 132.00 137.56 2fal h PRO 113 Ca -0.04 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.98 2fal h PRO 113 Cb 0.30 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 2fal h PRO 113 CO 0.06 0.70 -0.05 0.78 -0.21 0.00 0.00 178.00 179.27 2fal h GLY 114 N 1.08 0.26 0.69 -0.55 0.00 -1.76 -2.30 103.07 100.48 2fal h GLY 114 Ca 0.46 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.59 2fal h GLY 114 CO -0.21 0.13 -0.18 -2.75 0.00 0.00 0.00 176.54 173.53 2fal h PHE 115 N 0.23 0.38 -0.35 5.60 3.57 0.39 -2.29 116.94 124.48 2fal h PHE 115 Ca 0.05 -0.13 0.04 0.00 3.53 0.00 0.00 57.97 61.46 2fal h PHE 115 Cb 0.25 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.88 2fal h PHE 115 CO 0.00 0.78 0.12 0.28 -2.23 0.00 0.00 178.31 177.27 2fal h VAL 116 N -0.12 0.90 0.00 1.41 2.07 -1.02 -0.11 116.25 119.38 2fal h VAL 116 Ca 0.01 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 2fal h VAL 116 Cb 0.75 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2fal h VAL 116 CO 0.04 0.05 -0.03 0.00 0.02 0.00 0.00 177.57 177.65 2fal h ALA 117 N 1.22 1.54 0.00 1.67 0.00 -1.43 0.28 119.26 122.54 2fal h ALA 117 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2fal h ALA 117 Cb 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2fal h ALA 117 CO -0.16 0.03 0.00 0.66 0.00 0.00 0.00 179.25 179.78 2fal h SER 118 N 0.00 0.00 0.01 0.00 4.64 -0.40 -3.12 113.55 114.68 2fal h SER 118 Ca -0.00 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.95 2fal h SER 118 Cb 0.06 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.10 2fal h SER 118 CO 0.00 0.00 -2.05 0.52 -0.87 0.00 0.00 176.83 174.44 2fal n VAL 119 N -2.90 1.55 -3.58 0.95 0.31 0.92 -5.02 118.33 110.55 2fal n VAL 119 Ca -0.01 -0.31 -0.15 0.00 -0.01 0.00 0.00 64.34 63.86 2fal n VAL 119 Cb 0.18 -1.87 -0.06 0.00 -0.91 0.00 0.00 33.84 31.18 2fal n VAL 119 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2fal s ALA 120 N -2.46 -1.80 0.13 3.52 0.00 -0.77 -5.04 121.76 115.34 2fal s ALA 120 Ca -0.33 1.67 -0.31 0.00 0.00 0.00 0.00 51.96 52.99 2fal s ALA 120 Cb 0.10 -0.65 -0.10 0.00 0.00 0.00 0.00 23.12 22.47 2fal s ALA 120 CO 0.56 -0.34 1.74 0.00 0.00 0.00 0.00 175.76 177.72 2fal s ALA 121 N -0.43 3.78 0.46 0.00 0.00 -1.26 -3.86 121.76 120.46 2fal s ALA 121 Ca -0.05 1.42 -0.16 0.00 0.00 0.00 0.00 51.96 53.17 2fal s ALA 121 Cb -0.02 -3.72 -0.08 0.00 0.00 0.00 0.00 23.12 19.29 2fal s ALA 121 CO 0.04 -1.09 0.91 -1.25 0.00 0.00 0.00 175.76 174.38 2fal s PRO 122 N 2.25 3.96 0.72 0.00 0.04 -1.26 -5.04 135.00 135.67 2fal s PRO 122 Ca 0.77 0.85 -0.14 0.00 0.04 0.00 0.00 61.00 62.52 2fal s PRO 122 Cb -0.45 -2.22 0.04 0.00 0.04 0.00 0.00 34.50 31.90 2fal s PRO 122 CO 0.34 -0.15 1.14 -1.25 0.04 0.00 0.00 177.00 177.12 2fal s PRO 123 N -3.81 2.34 0.43 0.56 0.04 -1.26 -4.91 135.00 128.38 2fal s PRO 123 Ca 0.57 1.48 -0.24 0.00 0.04 0.00 0.00 61.00 62.84 2fal s PRO 123 Cb -0.10 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.46 2fal s PRO 123 CO 0.28 -1.63 1.09 0.00 0.04 0.00 0.00 177.00 176.78 2fal n ALA 124 N -2.87 0.51 0.00 8.56 0.00 -1.26 -1.44 120.51 124.01 2fal n ALA 124 Ca 0.11 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.79 2fal n ALA 124 Cb 0.52 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.83 2fal n ALA 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fal n GLY 125 N 1.07 3.02 0.12 0.00 0.00 -1.26 -4.89 105.19 103.25 2fal n GLY 125 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 2fal n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fal h ALA 126 N 0.00 0.25 -0.85 4.61 0.00 -1.55 -2.55 119.26 119.17 2fal h ALA 126 Ca 0.00 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.85 2fal h ALA 126 Cb 0.00 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 2fal h ALA 126 CO 0.00 -0.12 0.55 -0.44 0.00 0.00 0.00 179.25 179.24 2fal h ASP 127 N 0.12 0.79 -0.11 0.00 3.32 -1.91 -0.52 116.42 118.12 2fal h ASP 127 Ca 0.06 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.00 2fal h ASP 127 Cb 0.25 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 2fal h ASP 127 CO -0.00 0.50 -0.34 0.00 -1.72 0.00 0.00 179.24 177.68 2fal h ALA 128 N 1.55 0.89 -0.86 3.45 0.00 -1.94 0.83 119.26 123.19 2fal h ALA 128 Ca 0.38 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2fal h ALA 128 Cb 0.30 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2fal h ALA 128 CO -0.14 0.63 0.42 0.00 0.00 0.00 0.00 179.25 180.16 2fal h ALA 129 N 1.12 1.12 -0.42 0.00 0.00 -0.70 0.86 119.26 121.23 2fal h ALA 129 Ca 0.06 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 2fal h ALA 129 Cb 0.83 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2fal h ALA 129 CO 0.07 0.67 -0.18 -1.49 0.00 0.00 0.00 179.25 178.32 2fal h TRP 130 N 1.23 0.91 -0.10 0.00 4.06 -1.02 0.14 115.95 121.17 2fal h TRP 130 Ca 0.30 -0.20 -0.11 0.00 2.06 0.00 0.00 58.89 60.94 2fal h TRP 130 Cb 0.11 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 28.03 2fal h TRP 130 CO 0.01 0.93 -0.44 1.79 -3.56 0.00 0.00 178.44 177.17 2fal h THR 131 N 0.71 1.32 -0.01 1.49 1.35 -0.31 -0.29 112.91 117.18 2fal h THR 131 Ca 0.11 -1.59 -0.15 0.00 -0.55 0.00 0.00 66.41 64.22 2fal h THR 131 Cb 0.70 1.74 -0.02 0.00 -1.73 0.00 0.00 68.15 68.83 2fal h THR 131 CO 0.05 0.48 -0.70 0.50 -0.25 0.00 0.00 175.52 175.60 2fal h LYS 132 N 0.19 0.03 -0.31 4.72 3.64 -0.10 -1.03 116.57 123.72 2fal h LYS 132 Ca 0.01 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 2fal h LYS 132 Cb 0.86 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 2fal h LYS 132 CO 0.07 0.72 0.11 1.25 -2.27 0.00 0.00 179.45 179.32 2fal h LEU 133 N 0.02 0.44 -1.36 5.20 5.85 -0.43 -0.98 115.31 124.05 2fal h LEU 133 Ca -0.01 -0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.46 2fal h LEU 133 Cb 1.24 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 2fal h LEU 133 CO 0.09 0.51 -0.30 -0.26 -0.34 0.00 0.00 178.44 178.14 2fal h PHE 134 N 0.34 0.00 -0.44 1.25 0.04 -0.98 -1.96 116.94 115.19 2fal h PHE 134 Ca 0.10 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.82 2fal h PHE 134 Cb 0.22 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.35 2fal h PHE 134 CO 0.00 0.30 0.06 0.78 -0.60 0.00 0.00 178.31 178.85 2fal h GLY 135 N 1.29 0.72 1.33 -1.45 0.00 -0.44 -1.40 103.07 103.13 2fal h GLY 135 Ca -0.00 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 46.85 2fal h GLY 135 CO 0.04 0.40 0.11 1.41 0.00 0.00 0.00 176.54 178.49 2fal h LEU 136 N 0.65 0.78 -0.32 3.11 3.38 -0.41 0.36 115.31 122.85 2fal h LEU 136 Ca 0.14 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 2fal h LEU 136 Cb 0.31 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2fal h LEU 136 CO 0.00 0.78 -0.27 0.40 0.09 0.00 0.00 178.44 179.44 2fal h ILE 137 N 0.80 1.29 -0.45 1.22 2.04 -1.23 -0.88 117.51 120.29 2fal h ILE 137 Ca 0.17 -1.43 0.02 0.00 1.00 0.00 0.00 64.86 64.62 2fal h ILE 137 Cb 0.33 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 2fal h ILE 137 CO 0.00 0.47 0.27 0.40 0.00 0.00 0.00 178.15 179.29 2fal h ILE 138 N 0.53 1.05 -0.78 -0.67 2.04 -1.10 -0.02 117.51 118.56 2fal h ILE 138 Ca 0.06 -0.18 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 2fal h ILE 138 Cb 0.84 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 2fal h ILE 138 CO 0.07 0.10 0.30 0.44 0.00 0.00 0.00 178.15 179.06 2fal h ASP 139 N 0.54 1.08 -0.14 1.72 3.32 -0.73 -1.02 116.42 121.18 2fal h ASP 139 Ca 0.18 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 2fal h ASP 139 Cb 0.01 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 2fal h ASP 139 CO -0.08 0.96 -0.08 0.00 -1.72 0.00 0.00 179.24 178.32 2fal h ALA 140 N 1.19 1.34 -0.43 3.45 0.00 0.27 -1.51 119.26 123.57 2fal h ALA 140 Ca 0.26 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 2fal h ALA 140 Cb 0.23 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2fal h ALA 140 CO -0.02 0.45 -0.24 -0.07 0.00 0.00 0.00 179.25 179.36 2fal h LEU 141 N 0.43 0.95 -0.62 0.00 3.38 -0.74 -0.63 115.31 118.09 2fal h LEU 141 Ca 0.09 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 2fal h LEU 141 Cb 0.41 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2fal h LEU 141 CO 0.02 1.16 0.37 0.11 0.09 0.00 0.00 178.44 180.20 2fal h LYS 142 N 0.75 0.84 -0.60 1.13 1.57 -0.75 -2.11 116.57 117.39 2fal h LYS 142 Ca 0.09 -0.08 0.08 0.00 -1.87 0.00 0.00 60.65 58.87 2fal h LYS 142 Cb 0.82 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.92 2fal h LYS 142 CO 0.07 0.60 0.40 0.00 -0.57 0.00 0.00 179.45 179.95 2fal h ALA 143 N 1.19 1.89 0.00 3.86 0.00 -0.92 -0.36 119.26 124.92 2fal h ALA 143 Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2fal h ALA 143 Cb -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2fal h ALA 143 CO -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.21 2fal n ALA 144 N -2.49 2.62 0.00 0.00 0.00 -0.27 -4.87 120.51 115.50 2fal n ALA 144 Ca 0.09 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2fal n ALA 144 Cb 0.29 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.33 2fal n ALA 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fal n GLY 145 N 0.86 1.81 0.00 0.00 0.00 -0.15 -5.00 105.19 102.71 2fal n GLY 145 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2fal n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32