#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iis s ASP 1 N 0.00 0.69 0.29 0.00 1.47 -1.26 -5.04 116.67 112.82 3iis s ASP 1 Ca 0.00 -1.38 0.09 0.00 1.18 0.00 0.00 52.55 52.44 3iis s ASP 1 Cb 0.00 0.68 0.44 0.00 -0.34 0.00 0.00 42.92 43.69 3iis s ASP 1 CO 0.00 -1.33 1.67 -0.33 0.68 0.00 0.00 175.17 175.86 3iis h GLU 2 N 2.12 0.09 -0.74 2.11 4.39 -1.99 -2.15 114.58 118.40 3iis h GLU 2 Ca -0.29 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.34 3iis h GLU 2 Cb 1.24 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.86 3iis h GLU 2 CO 0.39 0.59 0.37 0.82 -1.16 0.00 0.00 179.01 180.01 3iis h ILE 3 N 0.07 1.23 -0.42 3.13 2.04 -1.96 0.94 117.51 122.54 3iis h ILE 3 Ca -0.00 -0.63 -0.06 0.00 1.00 0.00 0.00 64.86 65.17 3iis h ILE 3 Cb 0.95 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 3iis h ILE 3 CO 0.07 0.27 0.03 1.23 0.00 0.00 0.00 178.15 179.75 3iis h GLY 4 N 1.09 0.78 1.05 5.37 0.00 -1.81 0.21 103.07 109.77 3iis h GLY 4 Ca 0.26 -0.56 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 3iis h GLY 4 CO -0.04 0.51 0.49 -0.55 0.00 0.00 0.00 176.54 176.95 3iis h ASP 5 N 0.57 1.11 0.36 0.19 3.32 -1.04 -2.60 116.42 118.34 3iis h ASP 5 Ca 0.12 -0.10 -0.11 0.00 0.02 0.00 0.00 57.03 56.96 3iis h ASP 5 Cb 0.45 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3iis h ASP 5 CO 0.02 0.89 -0.49 0.00 -1.72 0.00 0.00 179.24 177.94 3iis h ALA 6 N 1.29 1.08 -0.27 3.45 0.00 -0.32 -2.61 119.26 121.88 3iis h ALA 6 Ca 0.31 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 3iis h ALA 6 Cb 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3iis h ALA 6 CO -0.05 0.63 -0.07 0.00 0.00 0.00 0.00 179.25 179.76 3iis h ALA 7 N 1.39 1.38 -0.50 0.00 0.00 -0.23 0.45 119.26 121.74 3iis h ALA 7 Ca 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 3iis h ALA 7 Cb 0.90 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3iis h ALA 7 CO 0.07 0.43 0.15 -0.22 0.00 0.00 0.00 179.25 179.68 3iis h LYS 8 N 0.41 0.78 -0.43 0.00 3.64 -1.17 0.35 116.57 120.15 3iis h LYS 8 Ca 0.08 -0.17 -0.09 0.00 -1.27 0.00 0.00 60.65 59.20 3iis h LYS 8 Cb 0.39 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 3iis h LYS 8 CO 0.02 0.73 -0.11 0.87 -2.27 0.00 0.00 179.45 178.70 3iis h LYS 9 N 0.68 0.77 -0.81 1.90 1.57 -1.33 -1.81 116.57 117.54 3iis h LYS 9 Ca 0.16 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 3iis h LYS 9 Cb 0.28 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 3iis h LYS 9 CO -0.00 0.85 0.43 1.25 -0.57 0.00 0.00 179.45 181.40 3iis h LEU 10 N 0.70 1.02 -0.77 2.94 5.85 -0.64 -2.20 115.31 122.21 3iis h LEU 10 Ca 0.12 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 3iis h LEU 10 Cb 0.58 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 3iis h LEU 10 CO 0.04 0.84 0.36 1.23 -0.34 0.00 0.00 178.44 180.56 3iis h GLY 11 N 1.13 1.20 0.92 3.75 0.00 -0.47 0.40 103.07 109.99 3iis h GLY 11 Ca 0.28 -0.61 0.06 0.00 0.00 0.00 0.00 47.33 47.07 3iis h GLY 11 CO -0.04 0.58 0.55 -0.55 0.00 0.00 0.00 176.54 177.07 3iis h ASP 12 N 1.09 0.82 1.42 0.19 3.32 -0.93 -0.93 116.42 121.40 3iis h ASP 12 Ca 0.26 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.22 3iis h ASP 12 Cb 0.14 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3iis h ASP 12 CO -0.03 0.53 -0.60 0.00 -1.72 0.00 0.00 179.24 177.42 3iis h ALA 13 N 1.54 0.70 0.00 3.45 0.00 -0.70 -3.41 119.26 120.84 3iis h ALA 13 Ca 0.36 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3iis h ALA 13 Cb 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3iis h ALA 13 CO -0.13 0.57 -0.36 -1.13 0.00 0.00 0.00 179.25 178.20 3iis n SER 14 N -3.14 1.82 0.11 0.00 3.41 0.04 -2.92 113.62 112.95 3iis n SER 14 Ca 0.00 -0.25 0.01 0.00 -0.26 0.00 0.00 58.87 58.38 3iis n SER 14 Cb 0.72 0.86 0.35 0.00 -0.26 0.00 0.00 64.21 65.89 3iis n SER 14 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 3iis h TYR 15 N 0.00 0.25 -0.58 7.33 3.20 -1.39 -1.52 116.97 124.25 3iis h TYR 15 Ca 0.00 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.83 3iis h TYR 15 Cb 0.00 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.17 3iis h TYR 15 CO 0.00 0.42 0.35 0.00 -1.64 0.00 0.00 178.16 177.29 3iis h ALA 16 N 1.59 0.74 -0.29 1.82 0.00 -1.84 -0.74 119.26 120.54 3iis h ALA 16 Ca 0.04 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3iis h ALA 16 Cb 0.47 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3iis h ALA 16 CO 0.03 0.22 0.18 0.35 0.00 0.00 0.00 179.25 180.03 3iis h PHE 17 N 0.79 0.34 -0.42 0.00 3.57 -1.71 -2.86 116.94 116.65 3iis h PHE 17 Ca 0.21 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.72 3iis h PHE 17 Cb -0.02 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 3iis h PHE 17 CO -0.02 0.20 0.26 0.00 -2.23 0.00 0.00 178.31 176.52 3iis h ALA 18 N 1.12 1.67 0.00 2.41 0.00 -0.50 -0.83 119.26 123.14 3iis h ALA 18 Ca 0.11 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3iis h ALA 18 Cb -0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3iis h ALA 18 CO -0.04 0.29 -0.18 0.87 0.00 0.00 0.00 179.25 180.19 3iis h LYS 19 N 0.57 0.00 0.00 0.00 1.57 -0.94 -3.01 116.57 114.76 3iis h LYS 19 Ca 0.15 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 3iis h LYS 19 Cb -0.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3iis h LYS 19 CO -0.03 0.18 -0.75 0.93 -0.57 0.00 0.00 179.45 179.21 3iis h GLU 20 N 0.00 0.00 -6.70 3.15 5.08 -0.97 -3.46 114.58 111.68 3iis h GLU 20 Ca -0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 3iis h GLU 20 Cb 0.46 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.74 3iis h GLU 20 CO 0.02 0.11 0.56 0.08 -1.00 0.00 0.00 179.01 178.79 3iis s VAL 21 N -3.20 3.46 -0.82 3.13 1.01 -1.05 -4.78 120.40 118.15 3iis s VAL 21 Ca 0.02 1.26 -0.20 0.00 0.00 0.00 0.00 61.98 63.06 3iis s VAL 21 Cb 0.08 -3.81 0.11 0.00 0.00 0.00 0.00 36.38 32.76 3iis s VAL 21 CO 0.76 0.22 1.04 -0.62 0.00 0.00 0.00 175.10 176.50 3iis s ASP 22 N -0.02 6.44 0.26 3.32 2.15 -1.26 -4.81 116.67 122.75 3iis s ASP 22 Ca 0.52 -1.65 0.22 0.00 0.43 0.00 0.00 52.55 52.07 3iis s ASP 22 Cb -0.33 -2.40 0.99 0.00 -0.30 0.00 0.00 42.92 40.88 3iis s ASP 22 CO 0.38 -1.20 1.66 0.79 -0.17 0.00 0.00 175.17 176.64 3iis n TRP 23 N 6.93 0.72 0.93 -5.34 7.02 -0.45 -1.77 117.44 125.48 3iis n TRP 23 Ca 0.12 0.31 0.11 0.00 -1.02 0.00 0.00 57.50 57.03 3iis n TRP 23 Cb 0.47 -1.00 0.31 0.00 -2.42 0.00 0.00 31.31 28.67 3iis n TRP 23 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 3iis n ASN 24 N -2.19 2.33 -4.73 -0.99 3.02 -1.26 -4.91 115.26 106.53 3iis n ASN 24 Ca 0.01 -1.81 -0.42 0.00 -0.03 0.00 0.00 54.58 52.33 3iis n ASN 24 Cb 0.16 -0.14 -0.03 0.00 -0.61 0.00 0.00 39.78 39.16 3iis n ASN 24 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3iis s ASN 25 N -1.58 6.67 0.00 6.41 3.84 -0.73 -4.90 114.94 124.64 3iis s ASN 25 Ca 0.34 2.60 0.21 0.00 0.21 0.00 0.00 52.86 56.21 3iis s ASN 25 Cb 0.19 -2.61 0.97 0.00 -0.55 0.00 0.00 41.25 39.25 3iis s ASN 25 CO 0.28 -0.72 1.66 0.61 -2.79 0.00 0.00 177.10 176.15 3iis n GLY 26 N 2.78 -1.09 0.29 1.21 0.00 -1.26 -3.76 105.19 103.36 3iis n GLY 26 Ca 0.09 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.15 3iis n GLY 26 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3iis h ILE 27 N 0.00 0.76 0.00 -0.61 2.10 -1.96 -2.40 117.51 115.39 3iis h ILE 27 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3iis h ILE 27 Cb 0.27 0.97 0.00 0.00 -1.09 0.00 0.00 36.82 36.97 3iis h ILE 27 CO 0.00 0.00 0.00 -0.26 -1.08 0.00 0.00 178.15 176.81 3iis h PHE 28 N 0.00 0.00 0.00 2.19 0.04 -1.97 -1.25 116.94 115.94 3iis h PHE 28 Ca 0.03 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 3iis h PHE 28 Cb 0.12 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.26 3iis h PHE 28 CO 0.00 0.00 -0.10 1.25 -0.60 0.00 0.00 178.31 178.86 3iis h LEU 29 N 0.00 0.00-10.12 1.54 5.85 -1.73 -3.46 115.31 107.39 3iis h LEU 29 Ca 0.00 0.00 -0.48 0.00 0.84 0.00 0.00 57.88 58.24 3iis h LEU 29 Cb 0.37 0.00 0.04 0.00 0.37 0.00 0.00 40.66 41.44 3iis h LEU 29 CO 0.00 0.10 0.39 -1.10 -0.34 0.00 0.00 178.44 177.49 3iis s GLN 30 N -3.23 3.58 0.60 1.25 -1.52 -0.48 -5.02 119.66 114.85 3iis s GLN 30 Ca 0.06 1.34 -0.20 0.00 -1.95 0.00 0.00 55.36 54.61 3iis s GLN 30 Cb 0.06 -2.06 -0.03 0.00 -0.22 0.00 0.00 33.01 30.76 3iis s GLN 30 CO 0.67 -0.61 1.31 0.00 -0.25 0.00 0.00 175.29 176.40 3iis s ALA 31 N -2.12 2.57 -1.57 6.09 0.00 -1.26 -4.85 121.76 120.62 3iis s ALA 31 Ca 0.67 1.23 -0.10 0.00 0.00 0.00 0.00 51.96 53.76 3iis s ALA 31 Cb -0.17 -3.54 -0.08 0.00 0.00 0.00 0.00 23.12 19.32 3iis s ALA 31 CO 0.27 -1.45 2.88 -0.35 0.00 0.00 0.00 175.76 177.11 3iis n PRO 32 N -1.53 3.56 0.00 0.00 -0.04 -1.26 -4.71 135.00 131.01 3iis n PRO 32 Ca 0.13 -2.15 0.00 0.00 -0.04 0.00 0.00 63.50 61.45 3iis n PRO 32 Cb 0.47 -2.78 0.00 0.00 -0.04 0.00 0.00 33.50 31.15 3iis n PRO 32 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3iis n GLY 33 N 3.61 0.33 3.76 0.55 0.00 -1.26 -0.39 105.19 111.78 3iis n GLY 33 Ca 0.76 -1.39 -0.39 0.00 0.00 0.00 0.00 46.02 44.99 3iis n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iis s LYS 34 N -0.73 4.31 -0.03 1.61 1.02 -1.26 -5.01 119.74 119.65 3iis s LYS 34 Ca 0.00 0.72 -0.30 0.00 0.02 0.00 0.00 55.97 56.41 3iis s LYS 34 Cb 0.00 -3.34 -0.05 0.00 -0.52 0.00 0.00 37.83 33.92 3iis s LYS 34 CO 0.00 0.36 1.45 -1.17 -0.92 0.00 0.00 175.35 175.07 3iis s LEU 35 N -0.17 4.30 -0.47 3.17 0.20 -1.26 -4.96 118.68 119.48 3iis s LEU 35 Ca 0.31 2.10 0.03 0.00 0.69 0.00 0.00 54.13 57.26 3iis s LEU 35 Cb -0.18 -3.55 0.16 0.00 -0.43 0.00 0.00 46.19 42.18 3iis s LEU 35 CO 0.17 -0.78 0.33 -1.10 -0.29 0.00 0.00 176.35 174.68 3iis s GLN 36 N 2.91 1.30 0.26 1.98 -0.21 -1.26 -5.02 119.66 119.62 3iis s GLN 36 Ca 0.65 -2.25 -0.03 0.00 0.02 0.00 0.00 55.36 53.75 3iis s GLN 36 Cb -0.31 -2.09 0.41 0.00 1.00 0.00 0.00 33.01 32.02 3iis s GLN 36 CO 0.26 -1.28 1.86 -1.35 -2.12 0.00 0.00 175.29 172.66 3iis h PRO 37 N 6.06 1.04 -0.50 2.91 0.11 -1.98 0.13 132.00 139.77 3iis h PRO 37 Ca 0.14 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.11 3iis h PRO 37 Cb 0.89 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.75 3iis h PRO 37 CO 0.46 0.69 0.01 -0.07 -0.21 0.00 0.00 178.00 178.88 3iis h LEU 38 N 1.07 0.86 -0.60 2.35 3.38 -1.99 0.10 115.31 120.47 3iis h LEU 38 Ca 0.42 -0.30 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 3iis h LEU 38 Cb 0.23 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3iis h LEU 38 CO -0.19 0.95 -0.43 -0.33 0.09 0.00 0.00 178.44 178.52 3iis h GLU 39 N 0.75 0.61 -0.30 1.13 4.39 -1.87 -2.90 114.58 116.39 3iis h GLU 39 Ca 0.14 -0.33 -0.14 0.00 0.34 0.00 0.00 59.36 59.37 3iis h GLU 39 Cb 0.50 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 3iis h GLU 39 CO 0.02 0.93 -0.39 0.00 -1.16 0.00 0.00 179.01 178.42 3iis h ALA 40 N 1.02 0.76 -0.56 3.43 0.00 -0.62 -3.04 119.26 120.25 3iis h ALA 40 Ca 0.04 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 3iis h ALA 40 Cb 0.96 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 3iis h ALA 40 CO 0.09 0.66 0.21 1.25 0.00 0.00 0.00 179.25 181.45 3iis h LEU 41 N 0.58 0.74 -0.90 0.00 5.85 -0.85 -0.10 115.31 120.63 3iis h LEU 41 Ca 0.05 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3iis h LEU 41 Cb 0.92 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 3iis h LEU 41 CO 0.08 0.68 0.54 0.11 -0.34 0.00 0.00 178.44 179.52 3iis h LYS 42 N 0.80 1.23 -0.32 1.25 1.57 -1.41 0.13 116.57 119.81 3iis h LYS 42 Ca 0.19 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 3iis h LYS 42 Cb 0.18 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3iis h LYS 42 CO -0.02 0.86 0.03 0.00 -0.57 0.00 0.00 179.45 179.75 3iis h ALA 43 N 1.30 0.43 -0.76 3.86 0.00 -1.24 -2.11 119.26 120.74 3iis h ALA 43 Ca 0.32 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3iis h ALA 43 Cb -0.05 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3iis h ALA 43 CO -0.06 0.16 0.49 0.82 0.00 0.00 0.00 179.25 180.66 3iis h ILE 44 N 0.37 1.20 -0.70 0.00 1.08 -0.82 -1.37 117.51 117.29 3iis h ILE 44 Ca 0.10 -0.40 0.07 0.00 -0.39 0.00 0.00 64.86 64.23 3iis h ILE 44 Cb 0.40 0.11 -0.06 0.00 -3.07 0.00 0.00 36.82 34.20 3iis h ILE 44 CO 0.01 0.20 0.38 -0.78 -0.69 0.00 0.00 178.15 177.28 3iis h ASP 45 N 1.03 0.56 -0.42 1.72 3.58 -0.61 0.15 116.42 122.44 3iis h ASP 45 Ca 0.28 0.04 -0.05 0.00 0.42 0.00 0.00 57.03 57.71 3iis h ASP 45 Cb -0.09 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 40.87 3iis h ASP 45 CO -0.06 0.35 0.09 0.11 -2.88 0.00 0.00 179.24 176.85 3iis h LYS 46 N 0.69 0.76 -0.26 0.28 1.79 -0.66 -0.30 116.57 118.87 3iis h LYS 46 Ca 0.32 -0.16 -0.11 0.00 -2.18 0.00 0.00 60.65 58.52 3iis h LYS 46 Cb 0.23 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 3iis h LYS 46 CO -0.20 0.71 -0.29 0.52 -1.08 0.00 0.00 179.45 179.11 3iis h MET 47 N 0.73 0.53 -0.42 3.15 2.86 -0.34 -1.92 114.93 119.53 3iis h MET 47 Ca 0.16 -0.22 -0.11 0.00 -2.06 0.00 0.00 59.70 57.47 3iis h MET 47 Cb 0.32 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 3iis h MET 47 CO 0.00 0.77 -0.16 0.82 1.06 0.00 0.00 176.91 179.40 3iis h ILE 48 N 0.46 1.28 -0.36 -1.22 2.04 -0.06 0.16 117.51 119.81 3iis h ILE 48 Ca 0.06 -1.29 0.02 0.00 1.00 0.00 0.00 64.86 64.64 3iis h ILE 48 Cb 0.74 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 3iis h ILE 48 CO 0.06 0.44 0.21 0.58 0.00 0.00 0.00 178.15 179.43 3iis h VAL 49 N 0.68 1.03 -0.50 1.67 2.07 -1.02 -0.56 116.25 119.63 3iis h VAL 49 Ca 0.10 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 3iis h VAL 49 Cb 0.71 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3iis h VAL 49 CO 0.05 0.08 0.14 -0.03 0.02 0.00 0.00 177.57 177.83 3iis h MET 50 N 0.42 0.79 -0.65 1.57 1.85 -1.20 -1.93 114.93 115.77 3iis h MET 50 Ca 0.14 -0.18 -0.05 0.00 -0.61 0.00 0.00 59.70 59.00 3iis h MET 50 Cb 0.01 -0.11 -0.03 0.00 0.43 0.00 0.00 31.60 31.90 3iis h MET 50 CO -0.07 0.75 0.20 0.78 -0.40 0.00 0.00 176.91 178.17 3iis h GLY 51 N 0.68 1.07 2.00 1.39 0.00 -0.56 -0.71 103.07 106.95 3iis h GLY 51 Ca 0.16 -0.61 -0.05 0.00 0.00 0.00 0.00 47.33 46.83 3iis h GLY 51 CO -0.00 0.57 -0.26 0.00 0.00 0.00 0.00 176.54 176.85 3iis h ALA 52 N 1.26 1.35 0.00 3.60 0.00 -0.91 -2.90 119.26 121.67 3iis h ALA 52 Ca 0.21 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3iis h ALA 52 Cb 0.27 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3iis h ALA 52 CO -0.01 0.32 -0.89 0.00 0.00 0.00 0.00 179.25 178.67 3iis h ALA 53 N 1.74 0.64 -2.40 0.00 0.00 -0.56 -3.48 119.26 115.20 3iis h ALA 53 Ca -0.00 -0.26 -0.52 0.00 0.00 0.00 0.00 54.91 54.13 3iis h ALA 53 Cb 0.53 0.06 0.14 0.00 0.00 0.00 0.00 17.79 18.52 3iis h ALA 53 CO 0.03 0.30 0.33 0.00 0.00 0.00 0.00 179.25 179.91 3iis s ALA 54 N -3.19 2.18 0.15 0.00 0.00 -0.35 -4.79 121.76 115.77 3iis s ALA 54 Ca 0.01 0.48 -0.31 0.00 0.00 0.00 0.00 51.96 52.13 3iis s ALA 54 Cb 0.08 -3.34 -0.09 0.00 0.00 0.00 0.00 23.12 19.77 3iis s ALA 54 CO 0.77 -1.79 1.49 0.34 0.00 0.00 0.00 175.76 176.56 3iis s ASP 55 N -2.87 6.69 0.19 0.00 -1.08 -1.26 -4.93 116.67 113.41 3iis s ASP 55 Ca 0.65 2.50 -0.12 0.00 -0.52 0.00 0.00 52.55 55.06 3iis s ASP 55 Cb -0.20 -2.59 0.11 0.00 -1.46 0.00 0.00 42.92 38.77 3iis s ASP 55 CO 0.51 -0.74 1.81 1.55 0.52 0.00 0.00 175.17 178.81 3iis h PRO 56 N 6.70 0.89 -0.27 4.34 0.13 -1.94 -0.81 132.00 141.04 3iis h PRO 56 Ca -0.43 -0.09 -0.05 0.00 -0.87 0.00 0.00 66.00 64.56 3iis h PRO 56 Cb 1.21 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 3iis h PRO 56 CO 0.89 0.66 -0.07 0.87 -0.23 0.00 0.00 178.00 180.12 3iis h LYS 57 N 0.88 0.43 0.09 0.86 1.57 -1.99 -1.41 116.57 117.01 3iis h LYS 57 Ca 0.23 -0.10 -0.26 0.00 -1.87 0.00 0.00 60.65 58.65 3iis h LYS 57 Cb 0.01 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.27 3iis h LYS 57 CO -0.04 0.52 -1.16 -0.07 -0.57 0.00 0.00 179.45 178.13 3iis h LEU 58 N 0.41 0.39 -0.27 2.94 3.38 -1.79 -0.62 115.31 119.75 3iis h LEU 58 Ca 0.08 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 3iis h LEU 58 Cb 0.38 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3iis h LEU 58 CO 0.02 1.28 0.16 -0.07 0.09 0.00 0.00 178.44 179.92 3iis h LEU 59 N 0.09 0.34 -0.43 1.67 3.38 -1.04 -0.93 115.31 118.39 3iis h LEU 59 Ca -0.11 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 57.83 3iis h LEU 59 Cb 1.87 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 42.50 3iis h LEU 59 CO 0.19 0.30 0.21 0.50 0.09 0.00 0.00 178.44 179.73 3iis h LYS 60 N 0.34 0.41 -0.38 1.13 3.64 -1.21 -1.32 116.57 119.19 3iis h LYS 60 Ca 0.10 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 3iis h LYS 60 Cb 0.03 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 3iis h LYS 60 CO -0.02 0.27 0.06 0.00 -2.27 0.00 0.00 179.45 177.50 3iis h ALA 61 N 1.23 1.40 -0.50 5.00 0.00 -0.88 -0.83 119.26 124.68 3iis h ALA 61 Ca 0.18 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 3iis h ALA 61 Cb 0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3iis h ALA 61 CO -0.13 0.43 -0.19 0.00 0.00 0.00 0.00 179.25 179.35 3iis h ALA 62 N 1.52 0.71 -0.38 0.00 0.00 -0.74 -0.56 119.26 119.81 3iis h ALA 62 Ca 0.12 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 3iis h ALA 62 Cb 0.26 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3iis h ALA 62 CO 0.00 0.68 0.17 0.00 0.00 0.00 0.00 179.25 180.10 3iis h ALA 63 N 0.90 0.50 -1.00 0.00 0.00 -0.86 -2.23 119.26 116.56 3iis h ALA 63 Ca 0.12 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3iis h ALA 63 Cb 0.77 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 3iis h ALA 63 CO 0.06 0.08 0.66 1.49 0.00 0.00 0.00 179.25 181.54 3iis h GLU 64 N 0.48 1.24 -0.52 0.00 4.57 -0.91 -0.77 114.58 118.66 3iis h GLU 64 Ca 0.13 -0.07 -0.04 0.00 -1.18 0.00 0.00 59.36 58.19 3iis h GLU 64 Cb 0.15 -0.28 -0.02 0.00 -0.16 0.00 0.00 28.75 28.44 3iis h GLU 64 CO -0.01 0.82 0.16 0.00 -1.18 0.00 0.00 179.01 178.79 3iis h ALA 65 N 1.41 1.30 -0.26 2.92 0.00 -0.76 -1.51 119.26 122.36 3iis h ALA 65 Ca 0.40 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.96 3iis h ALA 65 Cb -0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3iis h ALA 65 CO -0.12 0.50 -0.51 0.45 0.00 0.00 0.00 179.25 179.57 3iis h HIS 66 N 0.76 0.92 -0.39 0.00 3.86 -0.75 -0.31 115.15 119.24 3iis h HIS 66 Ca 0.17 -0.31 0.05 0.00 -1.16 0.00 0.00 60.37 59.11 3iis h HIS 66 Cb 0.23 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 28.48 3iis h HIS 66 CO 0.01 1.10 0.13 1.25 0.86 0.00 0.00 177.93 181.28 3iis h HIS 67 N 0.58 0.24 -0.51 2.45 6.17 -0.70 -0.63 115.15 122.75 3iis h HIS 67 Ca 0.02 0.02 -0.03 0.00 0.71 0.00 0.00 60.37 61.09 3iis h HIS 67 Cb 1.09 -0.05 -0.02 0.00 2.52 0.00 0.00 27.41 30.94 3iis h HIS 67 CO 0.06 0.09 0.20 -0.22 0.71 0.00 0.00 177.93 178.77 3iis h LYS 68 N 0.29 0.76 -0.92 5.26 3.64 -1.17 -2.74 116.57 121.70 3iis h LYS 68 Ca 0.18 -0.14 0.10 0.00 -1.27 0.00 0.00 60.65 59.51 3iis h LYS 68 Cb 0.16 -0.12 -0.08 0.00 -0.41 0.00 0.00 32.23 31.78 3iis h LYS 68 CO -0.18 0.68 0.56 0.00 -2.27 0.00 0.00 179.45 178.24 3iis h ALA 69 N 1.05 1.33 -0.84 5.00 0.00 -0.66 -1.32 119.26 123.81 3iis h ALA 69 Ca 0.17 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.14 3iis h ALA 69 Cb 0.20 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 3iis h ALA 69 CO -0.01 0.21 0.55 0.82 0.00 0.00 0.00 179.25 180.82 3iis h ILE 70 N 0.94 1.11 0.00 0.00 2.04 -0.84 -2.28 117.51 118.48 3iis h ILE 70 Ca 0.44 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.92 3iis h ILE 70 Cb 0.36 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 3iis h ILE 70 CO -0.24 0.18 -0.14 1.23 0.00 0.00 0.00 178.15 179.18 3iis h GLY 71 N 1.01 0.00 -2.36 5.37 0.00 -1.00 -2.94 103.07 103.15 3iis h GLY 71 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 3iis h GLY 71 CO -0.11 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.29 3iis n SER 72 N -3.67 3.64 -4.67 0.19 3.41 -0.87 -4.98 113.62 106.67 3iis n SER 72 Ca -0.02 -1.98 -0.45 0.00 -0.26 0.00 0.00 58.87 56.16 3iis n SER 72 Cb 0.26 -0.37 -0.02 0.00 -0.26 0.00 0.00 64.21 63.81 3iis n SER 72 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3iis n VAL 73 N 1.43 1.08 -3.69 -3.33 0.31 -1.11 -3.71 118.33 109.31 3iis n VAL 73 Ca 0.21 -0.27 -0.10 0.00 -0.01 0.00 0.00 64.34 64.17 3iis n VAL 73 Cb 0.58 -1.44 -0.03 0.00 -0.91 0.00 0.00 33.84 32.04 3iis n VAL 73 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3iis s SER 74 N 0.20 -0.32 0.00 4.52 1.04 -0.68 -4.96 113.70 113.50 3iis s SER 74 Ca 0.67 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.70 3iis s SER 74 Cb -0.65 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.07 3iis s SER 74 CO 0.51 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 174.27 3iis n GLY 75 N -0.36 -0.83 0.00 7.32 0.00 -1.26 -3.29 105.19 106.76 3iis n GLY 75 Ca -0.11 -1.69 0.11 0.00 0.00 0.00 0.00 46.02 44.33 3iis n GLY 75 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3iis n PRO 76 N -0.85 0.10 -0.03 1.61 -0.04 -1.26 -3.34 135.00 131.19 3iis n PRO 76 Ca 0.00 0.10 0.06 0.00 -0.04 0.00 0.00 63.50 63.62 3iis n PRO 76 Cb 0.00 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.03 3iis n PRO 76 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3iis n ASN 77 N -1.44 2.15 -0.54 3.54 4.13 -1.26 -4.96 115.26 116.89 3iis n ASN 77 Ca 0.07 -1.58 -0.06 0.00 1.68 0.00 0.00 54.58 54.70 3iis n ASN 77 Cb 0.24 -0.04 -0.01 0.00 -1.54 0.00 0.00 39.78 38.43 3iis n ASN 77 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3iis n GLY 78 N 0.66 0.46 3.73 7.41 0.00 -1.21 -1.34 105.19 114.89 3iis n GLY 78 Ca 0.08 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 3iis n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iis s VAL 79 N -2.24 4.73 0.99 1.61 0.11 -1.21 -4.69 120.40 119.70 3iis s VAL 79 Ca 0.00 1.87 -0.12 0.00 -2.93 0.00 0.00 61.98 60.80 3iis s VAL 79 Cb 0.00 -4.23 0.18 0.00 -1.53 0.00 0.00 36.38 30.80 3iis s VAL 79 CO 0.00 0.28 1.08 0.28 -3.33 0.00 0.00 175.10 173.41 3iis s THR 80 N 0.36 2.29 0.77 5.04 -1.32 -1.26 -1.69 115.64 119.83 3iis s THR 80 Ca 0.45 0.09 -0.12 0.00 -1.21 0.00 0.00 61.69 60.90 3iis s THR 80 Cb -0.21 -2.47 0.06 0.00 -1.51 0.00 0.00 72.50 68.36 3iis s THR 80 CO 0.26 -0.12 1.13 -0.94 -2.21 0.00 0.00 174.62 172.73 3iis s SER 81 N -3.22 4.25 0.21 8.08 1.04 -1.24 -4.78 113.70 118.03 3iis s SER 81 Ca 0.65 2.04 -0.09 0.00 0.48 0.00 0.00 55.95 59.03 3iis s SER 81 Cb -0.20 -2.55 0.27 0.00 0.10 0.00 0.00 66.02 63.64 3iis s SER 81 CO 0.59 -2.21 1.79 -0.09 0.98 0.00 0.00 173.24 174.29 3iis h ARG 82 N -0.87 0.59 -0.79 4.02 9.65 -1.96 0.10 114.38 125.12 3iis h ARG 82 Ca -0.45 -0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 58.36 3iis h ARG 82 Cb 1.25 -0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 29.67 3iis h ARG 82 CO 0.50 0.39 0.34 0.00 2.80 0.00 0.00 179.97 183.99 3iis h ALA 83 N 1.38 1.02 -0.03 2.80 0.00 -2.00 -2.06 119.26 120.37 3iis h ALA 83 Ca 0.31 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 3iis h ALA 83 Cb 0.27 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3iis h ALA 83 CO -0.22 0.63 -0.66 -0.44 0.00 0.00 0.00 179.25 178.55 3iis h ASP 84 N 1.13 0.15 -0.32 0.00 3.32 -1.74 -1.24 116.42 117.72 3iis h ASP 84 Ca 0.27 -0.09 0.05 0.00 0.02 0.00 0.00 57.03 57.28 3iis h ASP 84 Cb 0.18 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.64 3iis h ASP 84 CO -0.03 0.77 0.01 -0.25 -1.72 0.00 0.00 179.24 178.02 3iis h TRP 85 N 0.09 -0.00 -0.45 4.55 2.91 -0.59 0.15 115.95 122.62 3iis h TRP 85 Ca -0.01 0.02 -0.12 0.00 1.13 0.00 0.00 58.89 59.91 3iis h TRP 85 Cb 1.18 0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 29.87 3iis h TRP 85 CO 0.01 -0.05 -0.19 -0.44 -1.03 0.00 0.00 178.44 176.74 3iis h ASP 86 N 0.10 0.89 -0.59 2.65 5.19 -1.18 -1.26 116.42 122.23 3iis h ASP 86 Ca 0.15 -0.32 -0.09 0.00 -0.62 0.00 0.00 57.03 56.15 3iis h ASP 86 Cb 0.20 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.45 3iis h ASP 86 CO -0.25 1.06 0.01 0.28 -3.12 0.00 0.00 179.24 177.22 3iis h SER 87 N 0.77 1.01 -0.37 6.45 0.02 -0.94 -0.66 113.55 119.83 3iis h SER 87 Ca 0.11 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 60.75 3iis h SER 87 Cb 0.73 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 3iis h SER 87 CO 0.06 1.07 0.19 0.58 -1.14 0.00 0.00 176.83 177.58 3iis h VAL 88 N 0.93 1.15 -0.54 2.27 2.07 -0.79 -1.24 116.25 120.09 3iis h VAL 88 Ca 0.17 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.21 3iis h VAL 88 Cb 0.54 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 3iis h VAL 88 CO 0.03 0.16 0.09 0.78 0.02 0.00 0.00 177.57 178.64 3iis h ASN 89 N 0.46 0.85 -0.32 0.57 2.35 -1.02 0.48 115.58 118.95 3iis h ASN 89 Ca 0.13 -0.26 0.01 0.00 -0.55 0.00 0.00 56.30 55.63 3iis h ASN 89 Cb 0.08 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 3iis h ASN 89 CO -0.02 0.90 0.19 0.00 -1.65 0.00 0.00 177.43 176.85 3iis h ALA 90 N 0.99 0.40 -0.67 -0.83 0.00 -1.07 0.39 119.26 118.46 3iis h ALA 90 Ca 0.16 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 3iis h ALA 90 Cb 0.41 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3iis h ALA 90 CO 0.01 -0.18 0.19 0.00 0.00 0.00 0.00 179.25 179.28 3iis h ALA 91 N 1.14 1.07 -0.39 0.00 0.00 -0.79 -0.78 119.26 119.51 3iis h ALA 91 Ca 0.13 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 3iis h ALA 91 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3iis h ALA 91 CO -0.06 0.63 -0.25 -0.07 0.00 0.00 0.00 179.25 179.50 3iis h LEU 92 N 1.00 0.90 -1.00 0.00 3.38 -0.71 -2.17 115.31 116.70 3iis h LEU 92 Ca 0.22 -0.43 0.11 0.00 0.09 0.00 0.00 57.88 57.87 3iis h LEU 92 Cb 0.31 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 40.73 3iis h LEU 92 CO -0.00 1.13 0.64 1.23 0.09 0.00 0.00 178.44 181.52 3iis h GLY 93 N 0.67 1.62 1.10 0.83 0.00 -0.51 0.55 103.07 107.33 3iis h GLY 93 Ca 0.08 -0.44 -0.08 0.00 0.00 0.00 0.00 47.33 46.89 3iis h GLY 93 CO 0.07 0.20 0.07 3.21 0.00 0.00 0.00 176.54 180.09 3iis h ARG 94 N 1.04 1.09 -0.38 4.80 3.08 -0.91 -1.06 114.38 122.03 3iis h ARG 94 Ca 0.48 -0.31 -0.04 0.00 0.07 0.00 0.00 59.98 60.19 3iis h ARG 94 Cb 0.42 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 3iis h ARG 94 CO -0.25 1.01 0.08 0.28 -1.07 0.00 0.00 179.97 180.03 3iis h VAL 95 N 1.01 1.23 -0.79 2.04 2.07 -0.63 -2.56 116.25 118.62 3iis h VAL 95 Ca 0.19 -0.81 0.02 0.00 0.82 0.00 0.00 66.70 66.93 3iis h VAL 95 Cb 0.48 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 3iis h VAL 95 CO 0.02 0.28 0.51 0.40 0.02 0.00 0.00 177.57 178.80 3iis h ILE 96 N 0.48 1.15 0.00 4.57 1.08 -0.64 -1.51 117.51 122.64 3iis h ILE 96 Ca 0.12 -0.35 0.00 0.00 -0.39 0.00 0.00 64.86 64.24 3iis h ILE 96 Cb 0.33 0.05 0.00 0.00 -3.07 0.00 0.00 36.82 34.13 3iis h ILE 96 CO 0.00 0.18 0.00 0.00 -0.69 0.00 0.00 178.15 177.65 3iis n ALA 97 N -2.33 1.66 1.38 1.87 0.00 -0.43 -2.78 120.51 119.89 3iis n ALA 97 Ca 0.09 0.08 0.14 0.00 0.00 0.00 0.00 53.44 53.75 3iis n ALA 97 Cb 0.06 -1.39 0.50 0.00 0.00 0.00 0.00 19.45 18.62 3iis n ALA 97 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3iis n SER 98 N -2.23 0.99 -4.47 0.00 3.41 -0.57 -4.20 113.62 106.55 3iis n SER 98 Ca 0.02 -0.99 -0.23 0.00 -0.26 0.00 0.00 58.87 57.41 3iis n SER 98 Cb 0.23 0.05 -0.10 0.00 -0.26 0.00 0.00 64.21 64.12 3iis n SER 98 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3iis s VAL 99 N -2.33 2.04 0.45 -3.33 -7.23 -1.12 -4.50 120.40 104.37 3iis s VAL 99 Ca 0.30 -2.23 -0.24 0.00 -1.81 0.00 0.00 61.98 58.00 3iis s VAL 99 Cb 0.20 -2.43 -0.07 0.00 0.56 0.00 0.00 36.38 34.64 3iis s VAL 99 CO 0.45 -0.33 1.28 -2.84 -0.31 0.00 0.00 175.10 173.36 3iis s PRO 100 N -3.63 3.73 0.37 4.82 0.02 -1.26 -4.89 135.00 134.16 3iis s PRO 100 Ca 0.30 2.08 0.16 0.00 0.02 0.00 0.00 61.00 63.55 3iis s PRO 100 Cb 0.01 -2.55 1.03 0.00 0.02 0.00 0.00 34.50 33.01 3iis s PRO 100 CO 0.13 -0.67 1.76 1.49 -0.33 0.00 0.00 177.00 179.38 3iis h GLU 101 N 2.24 0.44 0.00 5.54 4.81 -1.95 -1.32 114.58 124.35 3iis h GLU 101 Ca -0.50 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 58.65 3iis h GLU 101 Cb 1.26 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 3iis h GLU 101 CO 0.61 0.29 -0.24 -2.95 -0.73 0.00 0.00 179.01 175.99 3iis h ASN 102 N 0.46 0.00 -0.39 1.04 -1.07 -1.99 -0.46 115.58 113.17 3iis h ASN 102 Ca 0.61 0.00 -0.13 0.00 0.07 0.00 0.00 56.30 56.85 3iis h ASN 102 Cb 1.41 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.65 3iis h ASN 102 CO -0.35 0.24 -0.25 0.24 0.07 0.00 0.00 177.43 177.38 3iis h MET 103 N 0.00 0.90 -0.18 4.14 2.86 -1.60 -1.29 114.93 119.76 3iis h MET 103 Ca -0.00 -0.40 -0.08 0.00 -2.06 0.00 0.00 59.70 57.16 3iis h MET 103 Cb 0.58 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.21 3iis h MET 103 CO 0.03 1.05 -0.19 0.28 1.06 0.00 0.00 176.91 179.14 3iis h VAL 104 N 0.77 1.34 -0.52 -2.22 2.07 -1.33 -2.58 116.25 113.78 3iis h VAL 104 Ca 0.09 -1.36 -0.04 0.00 0.82 0.00 0.00 66.70 66.22 3iis h VAL 104 Cb 0.81 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.37 3iis h VAL 104 CO 0.07 0.41 0.17 0.24 0.02 0.00 0.00 177.57 178.47 3iis h MET 105 N 0.11 0.78 -0.75 1.57 2.86 -1.12 -1.94 114.93 116.43 3iis h MET 105 Ca 0.03 -0.13 -0.04 0.00 -2.06 0.00 0.00 59.70 57.49 3iis h MET 105 Cb 0.74 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.23 3iis h MET 105 CO 0.05 0.67 0.30 -0.44 1.06 0.00 0.00 176.91 178.55 3iis h ASP 106 N 0.76 1.03 -0.12 1.22 3.32 -1.15 0.27 116.42 121.74 3iis h ASP 106 Ca 0.18 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 3iis h ASP 106 Cb 0.22 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3iis h ASP 106 CO -0.01 0.92 0.03 0.58 -1.72 0.00 0.00 179.24 179.04 3iis h VAL 107 N 1.09 1.19 -0.25 -1.35 2.07 -1.04 -1.93 116.25 116.04 3iis h VAL 107 Ca 0.25 -0.60 0.04 0.00 0.82 0.00 0.00 66.70 67.22 3iis h VAL 107 Cb 0.21 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 3iis h VAL 107 CO -0.02 0.18 -0.01 0.22 0.02 0.00 0.00 177.57 177.96 3iis h TYR 108 N 0.00 -0.03 -0.63 1.57 3.20 -1.03 -0.48 116.97 119.58 3iis h TYR 108 Ca 0.04 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.86 3iis h TYR 108 Cb 0.25 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.54 3iis h TYR 108 CO 0.00 -0.05 0.13 -0.44 -1.64 0.00 0.00 178.16 176.17 3iis h ASP 109 N 0.07 0.95 0.13 -2.11 3.32 -0.97 -0.22 116.42 117.59 3iis h ASP 109 Ca 0.12 -0.20 -0.15 0.00 0.02 0.00 0.00 57.03 56.82 3iis h ASP 109 Cb 0.16 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3iis h ASP 109 CO -0.21 0.93 -0.55 0.28 -1.72 0.00 0.00 179.24 177.97 3iis h SER 110 N 0.95 0.50 -0.15 6.45 0.02 -0.90 -2.16 113.55 118.26 3iis h SER 110 Ca 0.20 -0.27 -0.21 0.00 -0.84 0.00 0.00 61.79 60.67 3iis h SER 110 Cb 0.37 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 62.77 3iis h SER 110 CO 0.00 0.95 -0.70 0.58 -1.14 0.00 0.00 176.83 176.53 3iis h VAL 111 N 0.35 1.28 -0.99 2.27 2.07 -0.98 -3.14 116.25 117.11 3iis h VAL 111 Ca 0.01 -1.90 0.11 0.00 0.82 0.00 0.00 66.70 65.73 3iis h VAL 111 Cb 1.08 1.87 -0.08 0.00 -1.52 0.00 0.00 31.29 32.64 3iis h VAL 111 CO 0.10 0.61 0.63 -1.28 0.02 0.00 0.00 177.57 177.64 3iis h SER 112 N 0.56 0.92 -0.60 0.57 0.87 -0.85 -1.65 113.55 113.37 3iis h SER 112 Ca -0.03 0.04 0.14 0.00 -1.23 0.00 0.00 61.79 60.71 3iis h SER 112 Cb 1.31 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 63.09 3iis h SER 112 CO 0.14 0.51 0.42 0.11 -0.53 0.00 0.00 176.83 177.48 3iis h LYS 113 N 1.00 0.20 -0.11 2.24 1.57 -1.34 -1.61 116.57 118.51 3iis h LYS 113 Ca 0.48 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 3iis h LYS 113 Cb 0.44 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3iis h LYS 113 CO -0.24 0.13 0.00 0.44 -0.57 0.00 0.00 179.45 179.21 3iis n ILE 114 N -4.43 0.13 -3.46 1.86 -5.35 -0.65 -4.93 119.36 102.53 3iis n ILE 114 Ca 0.11 -0.57 -0.39 0.00 -0.27 0.00 0.00 62.75 61.63 3iis n ILE 114 Cb 0.53 1.32 -0.10 0.00 -1.74 0.00 0.00 39.64 39.65 3iis n ILE 114 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3iis s THR 115 N -1.67 5.22 0.41 7.28 2.01 -0.61 -4.55 115.64 123.74 3iis s THR 115 Ca 0.27 0.34 -0.26 0.00 0.31 0.00 0.00 61.69 62.35 3iis s THR 115 Cb 0.18 -3.66 -0.09 0.00 0.01 0.00 0.00 72.50 68.95 3iis s THR 115 CO 0.27 0.14 1.32 -0.62 -0.69 0.00 0.00 174.62 175.05 3iis s ASP 116 N 1.70 6.24 0.67 3.53 -1.08 0.48 -4.86 116.67 123.34 3iis s ASP 116 Ca 0.12 2.70 0.40 0.00 -0.52 0.00 0.00 52.55 55.24 3iis s ASP 116 Cb -0.16 -2.64 2.16 0.00 -1.46 0.00 0.00 42.92 40.82 3iis s ASP 116 CO 0.11 -0.90 2.22 1.55 0.52 0.00 0.00 175.17 178.66 3iis h PRO 117 N 2.62 0.00 0.00 4.34 0.13 -1.94 -1.62 132.00 135.53 3iis h PRO 117 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3iis h PRO 117 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3iis h PRO 117 CO 0.62 0.00 -0.10 1.63 -0.23 0.00 0.00 178.00 179.93 3iis n LYS 118 N -3.04 0.27 -0.10 0.86 5.02 -1.26 -4.33 118.16 115.58 3iis n LYS 118 Ca -0.03 0.20 -0.10 0.00 -2.02 0.00 0.00 58.31 56.36 3iis n LYS 118 Cb 0.18 -1.79 -0.03 0.00 -0.02 0.00 0.00 35.03 33.37 3iis n LYS 118 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3iis h VAL 119 N 0.00 1.20 -0.40 -0.18 2.07 -1.63 -1.49 116.25 115.82 3iis h VAL 119 Ca 0.00 -0.63 0.01 0.00 0.82 0.00 0.00 66.70 66.90 3iis h VAL 119 Cb 0.74 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 3iis h VAL 119 CO 0.00 0.21 0.26 -0.65 0.02 0.00 0.00 177.57 177.41 3iis h PRO 120 N 0.33 0.52 -0.24 1.57 0.11 -1.79 -0.21 132.00 132.29 3iis h PRO 120 Ca 0.10 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.13 3iis h PRO 120 Cb 0.23 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.21 3iis h PRO 120 CO -0.00 0.34 -0.07 0.00 -0.21 0.00 0.00 178.00 178.05 3iis h ALA 121 N 1.15 1.43 -0.16 -0.75 0.00 -1.78 -0.47 119.26 118.69 3iis h ALA 121 Ca 0.15 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3iis h ALA 121 Cb -0.05 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3iis h ALA 121 CO -0.04 0.40 -0.04 -0.92 0.00 0.00 0.00 179.25 178.65 3iis h TYR 122 N 0.36 0.35 -0.68 0.00 3.20 -0.64 -0.33 116.97 119.23 3iis h TYR 122 Ca 0.08 -0.08 0.05 0.00 3.14 0.00 0.00 58.73 61.92 3iis h TYR 122 Cb 0.36 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.50 3iis h TYR 122 CO 0.01 0.59 0.40 0.52 -1.64 0.00 0.00 178.16 178.03 3iis h MET 123 N 0.01 0.72 -0.26 1.82 2.86 -0.69 -1.94 114.93 117.44 3iis h MET 123 Ca 0.04 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 3iis h MET 123 Cb 0.48 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 3iis h MET 123 CO 0.02 0.48 -0.08 -0.22 1.06 0.00 0.00 176.91 178.16 3iis h LYS 124 N 0.74 0.42 0.00 1.72 3.64 -0.96 -1.76 116.57 120.38 3iis h LYS 124 Ca 0.29 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3iis h LYS 124 Cb 0.13 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3iis h LYS 124 CO -0.16 0.51 0.00 0.66 -2.27 0.00 0.00 179.45 178.19 3iis h SER 125 N 0.40 0.00 0.63 4.20 4.64 -0.23 -2.11 113.55 121.08 3iis h SER 125 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3iis h SER 125 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3iis h SER 125 CO 0.02 0.00 -0.39 0.18 -0.87 0.00 0.00 176.83 175.77 3iis n LEU 126 N -2.57 0.39 0.00 5.97 4.77 -0.66 -4.92 117.00 119.98 3iis n LEU 126 Ca -0.00 0.13 -0.20 0.00 -0.03 0.00 0.00 56.01 55.91 3iis n LEU 126 Cb 0.16 -0.31 -0.05 0.00 -2.33 0.00 0.00 43.42 40.90 3iis n LEU 126 CO 0.18 0.09 -0.14 1.33 -1.33 0.00 0.00 177.39 177.52 3iis n VAL 127 N -1.52 0.00 -2.60 4.08 0.24 -0.79 -4.90 118.33 112.83 3iis n VAL 127 Ca 0.06 -1.58 -0.43 0.00 -2.04 0.00 0.00 64.34 60.35 3iis n VAL 127 Cb 0.34 0.39 -0.02 0.00 -1.47 0.00 0.00 33.84 33.08 3iis n VAL 127 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3iis s ASN 128 N -2.78 6.94 0.32 -1.34 3.84 -1.26 -4.92 114.94 115.74 3iis s ASN 128 Ca 0.04 1.20 0.01 0.00 0.21 0.00 0.00 52.86 54.32 3iis s ASN 128 Cb 0.00 -2.54 0.53 0.00 -0.55 0.00 0.00 41.25 38.69 3iis s ASN 128 CO 0.03 -0.85 1.91 1.23 -2.79 0.00 0.00 177.10 176.63 3iis h GLY 129 N 10.01 0.84 1.41 1.21 0.00 -1.96 -0.88 103.07 113.70 3iis h GLY 129 Ca -0.21 -0.41 -0.10 0.00 0.00 0.00 0.00 47.33 46.60 3iis h GLY 129 CO 1.02 0.39 -0.20 0.00 0.00 0.00 0.00 176.54 177.74 3iis h ALA 130 N 1.48 0.97 -0.31 3.60 0.00 -1.97 -0.51 119.26 122.52 3iis h ALA 130 Ca 0.19 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 3iis h ALA 130 Cb 0.13 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3iis h ALA 130 CO -0.02 0.60 -0.27 -0.44 0.00 0.00 0.00 179.25 179.12 3iis h ASP 131 N 0.60 0.65 -0.53 0.00 3.32 -1.69 -0.84 116.42 117.93 3iis h ASP 131 Ca 0.09 -0.24 -0.04 0.00 0.02 0.00 0.00 57.03 56.86 3iis h ASP 131 Cb 0.68 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 3iis h ASP 131 CO 0.05 0.89 0.19 0.00 -1.72 0.00 0.00 179.24 178.65 3iis h ALA 132 N 1.15 0.69 -0.61 3.45 0.00 -0.85 -0.74 119.26 122.35 3iis h ALA 132 Ca 0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3iis h ALA 132 Cb 0.75 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3iis h ALA 132 CO 0.06 0.33 0.35 0.93 0.00 0.00 0.00 179.25 180.92 3iis h GLU 133 N 0.72 0.84 -0.85 0.00 5.08 -0.96 -0.25 114.58 119.15 3iis h GLU 133 Ca 0.17 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3iis h GLU 133 Cb 0.24 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 3iis h GLU 133 CO -0.01 0.62 0.48 -0.22 -1.00 0.00 0.00 179.01 178.88 3iis h LYS 134 N 0.82 1.18 -0.41 2.33 3.64 -0.95 -0.68 116.57 122.50 3iis h LYS 134 Ca 0.22 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 3iis h LYS 134 Cb 0.02 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.58 3iis h LYS 134 CO -0.04 0.86 0.10 0.00 -2.27 0.00 0.00 179.45 178.10 3iis h ALA 135 N 1.33 0.54 -0.40 5.00 0.00 -0.59 -0.49 119.26 124.66 3iis h ALA 135 Ca 0.30 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3iis h ALA 135 Cb 0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3iis h ALA 135 CO -0.05 0.22 0.08 -0.92 0.00 0.00 0.00 179.25 178.57 3iis h TYR 136 N 0.53 0.69 -0.83 0.00 3.20 -0.76 0.79 116.97 120.58 3iis h TYR 136 Ca 0.13 -0.09 0.08 0.00 3.14 0.00 0.00 58.73 61.99 3iis h TYR 136 Cb 0.31 -0.19 -0.07 0.00 1.54 0.00 0.00 36.73 38.32 3iis h TYR 136 CO 0.02 0.67 0.49 0.93 -1.64 0.00 0.00 178.16 178.63 3iis h GLU 137 N 0.51 0.82 -0.35 1.82 4.39 -1.01 -0.03 114.58 120.71 3iis h GLU 137 Ca 0.12 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.82 3iis h GLU 137 Cb 0.35 -0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 28.77 3iis h GLU 137 CO 0.01 0.54 0.11 0.78 -1.16 0.00 0.00 179.01 179.29 3iis h GLY 138 N 0.84 0.44 0.65 -3.84 0.00 -0.38 -1.59 103.07 99.21 3iis h GLY 138 Ca 0.39 -0.06 0.07 0.00 0.00 0.00 0.00 47.33 47.72 3iis h GLY 138 CO -0.22 0.02 0.44 -2.75 0.00 0.00 0.00 176.54 174.03 3iis h PHE 139 N 0.26 0.80 -0.89 5.60 3.57 0.02 -0.17 116.94 126.14 3iis h PHE 139 Ca 0.16 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.70 3iis h PHE 139 Cb 0.14 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 38.59 3iis h PHE 139 CO -0.15 0.38 0.59 -0.07 -2.23 0.00 0.00 178.31 176.83 3iis h LEU 140 N 0.79 1.01 -0.26 0.59 3.38 -0.10 0.77 115.31 121.48 3iis h LEU 140 Ca 0.34 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 58.14 3iis h LEU 140 Cb 0.22 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3iis h LEU 140 CO -0.19 0.73 -0.42 0.00 0.09 0.00 0.00 178.44 178.64 3iis h ALA 141 N 1.45 0.41 -0.29 1.53 0.00 -0.81 -3.09 119.26 118.46 3iis h ALA 141 Ca 0.33 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3iis h ALA 141 Cb -0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3iis h ALA 141 CO -0.08 0.53 0.17 0.35 0.00 0.00 0.00 179.25 180.22 3iis h PHE 142 N 0.49 0.39 0.00 0.00 3.57 -0.36 -2.67 116.94 118.36 3iis h PHE 142 Ca 0.02 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 3iis h PHE 142 Cb 1.02 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.63 3iis h PHE 142 CO 0.08 0.30 -0.12 1.57 -2.23 0.00 0.00 178.31 177.91 3iis h LYS 143 N 0.37 0.00 -0.76 1.11 5.09 -0.89 -0.77 116.57 120.73 3iis h LYS 143 Ca 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.83 3iis h LYS 143 Cb 0.03 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 32.32 3iis h LYS 143 CO -0.02 0.12 0.40 -0.44 -2.09 0.00 0.00 179.45 177.42 3iis h ASP 144 N 0.00 0.96 -0.13 7.07 3.32 -1.39 0.32 116.42 126.57 3iis h ASP 144 Ca -0.00 -0.09 -0.15 0.00 0.02 0.00 0.00 57.03 56.81 3iis h ASP 144 Cb 0.31 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 39.62 3iis h ASP 144 CO 0.02 0.79 -0.51 0.58 -1.72 0.00 0.00 179.24 178.40 3iis h VAL 145 N 1.07 1.35 -0.45 -1.35 2.07 -1.12 -2.71 116.25 115.11 3iis h VAL 145 Ca 0.27 -1.80 0.06 0.00 0.82 0.00 0.00 66.70 66.05 3iis h VAL 145 Cb 0.06 2.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.88 3iis h VAL 145 CO -0.04 0.55 0.16 0.58 0.02 0.00 0.00 177.57 178.84 3iis h VAL 146 N 0.20 0.86 -0.51 2.57 2.07 -1.07 -2.31 116.25 118.06 3iis h VAL 146 Ca -0.03 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 3iis h VAL 146 Cb 1.14 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 3iis h VAL 146 CO 0.11 0.06 0.27 0.50 0.02 0.00 0.00 177.57 178.53 3iis h LYS 147 N 0.34 0.70 0.00 1.57 3.64 -0.91 -1.15 116.57 120.76 3iis h LYS 147 Ca 0.21 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3iis h LYS 147 Cb 0.21 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 3iis h LYS 147 CO -0.22 0.52 0.00 1.63 -2.27 0.00 0.00 179.45 179.12 3iis n LYS 148 N -4.40 0.41 -0.00 1.90 5.02 -0.90 -1.76 118.16 118.43 3iis n LYS 148 Ca 0.04 0.05 0.09 0.00 -2.02 0.00 0.00 58.31 56.48 3iis n LYS 148 Cb 0.10 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.69 3iis n LYS 148 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3iis n SER 149 N -1.24 2.55 -0.73 4.39 7.64 -0.47 -5.10 113.62 120.67 3iis n SER 149 Ca 0.13 -1.77 0.09 0.00 1.01 0.00 0.00 58.87 58.32 3iis n SER 149 Cb 0.17 -0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.45 3iis n SER 149 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70