#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fla s ALA 2 N 0.00 3.00 0.92 0.00 0.00 -1.26 -5.03 121.76 119.39 2fla s ALA 2 Ca 0.00 0.63 -0.10 0.00 0.00 0.00 0.00 51.96 52.48 2fla s ALA 2 Cb 0.00 -3.25 0.14 0.00 0.00 0.00 0.00 23.12 20.02 2fla s ALA 2 CO 0.00 -0.20 1.12 -1.25 0.00 0.00 0.00 175.76 175.43 2fla s PRO 3 N -2.84 1.03 0.54 0.00 0.04 -1.26 -4.88 135.00 127.62 2fla s PRO 3 Ca 0.62 1.39 0.20 0.00 0.04 0.00 0.00 61.00 63.25 2fla s PRO 3 Cb -0.18 -1.74 1.42 0.00 0.04 0.00 0.00 34.50 34.04 2fla s PRO 3 CO 0.23 -2.57 2.17 0.00 0.04 0.00 0.00 177.00 176.87 2fla h ALA 4 N -1.82 1.89 -0.49 8.56 0.00 -2.01 -1.28 119.26 124.11 2fla h ALA 4 Ca -0.45 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 2fla h ALA 4 Cb 1.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2fla h ALA 4 CO 0.44 -0.02 0.02 0.27 0.00 0.00 0.00 179.25 179.97 2fla n ASN 5 N -4.35 5.05 -4.76 0.00 6.94 -1.26 -5.00 115.26 111.88 2fla n ASN 5 Ca -0.03 -3.00 -0.38 0.00 -0.02 0.00 0.00 54.58 51.15 2fla n ASN 5 Cb 0.10 -0.65 0.02 0.00 -2.36 0.00 0.00 39.78 36.90 2fla n ASN 5 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2fla s ALA 6 N -2.82 2.91 0.17 -2.53 0.00 -0.49 -1.26 121.76 117.74 2fla s ALA 6 Ca 0.51 1.23 -0.32 0.00 0.00 0.00 0.00 51.96 53.38 2fla s ALA 6 Cb 0.40 -3.52 -0.10 0.00 0.00 0.00 0.00 23.12 19.90 2fla s ALA 6 CO 0.13 -1.15 1.62 0.08 0.00 0.00 0.00 175.76 176.45 2fla s VAL 7 N -1.36 2.48 0.33 0.00 1.01 -0.03 -4.79 120.40 118.05 2fla s VAL 7 Ca 0.68 0.33 0.08 0.00 0.00 0.00 0.00 61.98 63.07 2fla s VAL 7 Cb -0.37 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 2fla s VAL 7 CO 0.45 0.02 0.13 0.42 0.00 0.00 0.00 175.10 176.13 2fla s THR 8 N 1.26 3.15 -0.06 3.92 -4.23 -1.26 -4.94 115.64 113.48 2fla s THR 8 Ca 0.72 -1.70 0.29 0.00 -1.18 0.00 0.00 61.69 59.83 2fla s THR 8 Cb -0.45 -2.99 0.31 0.00 1.34 0.00 0.00 72.50 70.71 2fla s THR 8 CO 0.32 -0.21 1.89 0.00 -0.54 0.00 0.00 174.62 176.07 2fla h ALA 9 N 1.57 1.00 -0.27 3.99 0.00 -1.94 -2.50 119.26 121.12 2fla h ALA 9 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2fla h ALA 9 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2fla h ALA 9 CO 0.63 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.63 2fla n ASP 10 N -2.61 3.21 -4.69 0.00 8.00 -1.26 -4.57 116.55 114.64 2fla n ASP 10 Ca -0.00 -1.95 -0.42 0.00 0.71 0.00 0.00 54.79 53.13 2fla n ASP 10 Cb 0.17 -0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 41.08 2fla n ASP 10 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2fla s ASP 11 N -1.54 6.74 0.27 -2.24 -1.08 -0.94 -4.91 116.67 112.96 2fla s ASP 11 Ca 0.33 2.26 -0.02 0.00 -0.52 0.00 0.00 52.55 54.61 2fla s ASP 11 Cb 0.21 -2.56 0.44 0.00 -1.46 0.00 0.00 42.92 39.55 2fla s ASP 11 CO 0.29 -0.80 1.85 -0.65 0.52 0.00 0.00 175.17 176.38 2fla h PRO 12 N 8.17 1.01 -0.35 4.34 0.11 -1.91 -0.34 132.00 143.03 2fla h PRO 12 Ca -0.40 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 65.52 2fla h PRO 12 Cb 1.19 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 2fla h PRO 12 CO 0.92 0.67 -0.33 1.15 -0.21 0.00 0.00 178.00 180.20 2fla h THR 13 N 1.05 1.28 -0.86 -1.15 2.02 -1.97 -0.85 112.91 112.44 2fla h THR 13 Ca 0.44 -1.49 -0.02 0.00 0.77 0.00 0.00 66.41 66.11 2fla h THR 13 Cb 0.29 1.36 -0.04 0.00 -1.74 0.00 0.00 68.15 68.03 2fla h THR 13 CO -0.21 0.49 0.46 0.00 0.37 0.00 0.00 175.52 176.63 2fla h ALA 14 N 0.96 1.21 -0.08 6.16 0.00 -1.59 -0.36 119.26 125.55 2fla h ALA 14 Ca 0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2fla h ALA 14 Cb 0.88 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2fla h ALA 14 CO 0.08 0.64 0.03 0.82 0.00 0.00 0.00 179.25 180.81 2fla h ILE 15 N 1.20 1.17 -0.76 0.00 2.04 -0.88 -0.53 117.51 119.75 2fla h ILE 15 Ca 0.30 -0.52 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 2fla h ILE 15 Cb 0.03 1.37 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 2fla h ILE 15 CO -0.05 0.15 0.47 0.00 0.00 0.00 0.00 178.15 178.72 2fla h ALA 16 N 0.83 1.40 -0.02 1.87 0.00 -0.83 -2.20 119.26 120.32 2fla h ALA 16 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2fla h ALA 16 Cb 0.21 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2fla h ALA 16 CO -0.00 0.53 -0.05 1.28 0.00 0.00 0.00 179.25 181.01 2fla n LEU 17 N -4.39 1.57 -3.78 0.00 4.77 -0.17 -4.95 117.00 110.04 2fla n LEU 17 Ca 0.08 -0.51 -0.27 0.00 -0.03 0.00 0.00 56.01 55.28 2fla n LEU 17 Cb 0.06 -0.02 0.04 0.00 -2.33 0.00 0.00 43.42 41.17 2fla n LEU 17 CO 0.37 0.27 0.12 0.29 -1.33 0.00 0.00 177.39 177.11 2fla n LYS 18 N 0.14 -6.17 -2.07 3.23 5.02 -0.33 -0.38 118.16 117.61 2fla n LYS 18 Ca 0.17 0.68 -0.40 0.00 -2.02 0.00 0.00 58.31 56.74 2fla n LYS 18 Cb 0.38 -5.57 -0.01 0.00 -0.02 0.00 0.00 35.03 29.80 2fla n LYS 18 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 2fla s TYR 19 N -3.36 2.91 0.00 2.13 5.04 -0.49 -4.53 117.35 119.05 2fla s TYR 19 Ca 0.52 1.39 0.01 0.00 -2.44 0.00 0.00 57.07 56.55 2fla s TYR 19 Cb -0.25 -3.70 -0.01 0.00 0.35 0.00 0.00 41.96 38.35 2fla s TYR 19 CO 0.80 -2.04 -0.03 1.21 -1.34 0.00 0.00 175.55 174.14 2fla s ASN 20 N -0.57 0.34 0.11 4.32 3.84 -0.31 -4.89 114.94 117.77 2fla s ASN 20 Ca 0.53 -0.12 0.17 0.00 0.21 0.00 0.00 52.86 53.65 2fla s ASN 20 Cb -0.39 -0.02 0.75 0.00 -0.55 0.00 0.00 41.25 41.03 2fla s ASN 20 CO 0.52 -0.01 1.54 0.00 -2.79 0.00 0.00 177.10 176.36 2fla n GLN 21 N 2.79 0.08 -3.99 0.43 10.64 -1.26 -1.30 117.38 124.77 2fla n GLN 21 Ca -0.14 0.34 -0.31 0.00 -1.83 0.00 0.00 57.00 55.06 2fla n GLN 21 Cb 0.58 -1.66 -0.15 0.00 -0.86 0.00 0.00 30.24 28.16 2fla n GLN 21 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 2fla s ASP 22 N -3.51 4.27 0.62 2.61 -1.08 -1.26 -2.70 116.67 115.62 2fla s ASP 22 Ca 0.05 -1.50 0.37 0.00 -0.52 0.00 0.00 52.55 50.96 2fla s ASP 22 Cb 0.09 -1.38 2.08 0.00 -1.46 0.00 0.00 42.92 42.25 2fla s ASP 22 CO 0.30 -0.26 2.29 0.00 0.52 0.00 0.00 175.17 178.02 2fla h ALA 23 N 7.83 1.22 0.00 3.66 0.00 -0.72 -0.11 119.26 131.14 2fla h ALA 23 Ca -0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2fla h ALA 23 Cb 1.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2fla h ALA 23 CO 0.46 0.01 0.00 0.25 0.00 0.00 0.00 179.25 179.97 2fla n THR 24 N -3.42 0.78 -1.90 0.00 -2.24 -1.26 -2.47 114.28 103.77 2fla n THR 24 Ca -0.03 0.14 -0.30 0.00 -2.27 0.00 0.00 64.05 61.60 2fla n THR 24 Cb 0.10 -1.08 0.04 0.00 -2.10 0.00 0.00 70.33 67.29 2fla n THR 24 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2fla n LYS 25 N -2.29 3.19 -4.46 -0.78 5.02 -0.05 -5.01 118.16 113.78 2fla n LYS 25 Ca 0.03 -3.89 -0.22 0.00 -2.02 0.00 0.00 58.31 52.20 2fla n LYS 25 Cb 0.27 -2.28 -0.11 0.00 -0.02 0.00 0.00 35.03 32.89 2fla n LYS 25 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2fla s SER 26 N -2.71 2.47 -0.50 4.39 1.04 -1.03 -4.79 113.70 112.56 2fla s SER 26 Ca 0.54 -1.37 0.03 0.00 0.48 0.00 0.00 55.95 55.63 2fla s SER 26 Cb 0.44 -0.11 0.57 0.00 0.10 0.00 0.00 66.02 67.02 2fla s SER 26 CO -0.09 -0.59 1.89 -0.62 0.98 0.00 0.00 173.24 174.80 2fla n GLU 27 N -0.70 2.41 -0.14 4.02 1.02 -1.26 -4.65 120.64 121.34 2fla n GLU 27 Ca -0.02 -3.17 0.06 0.00 -0.02 0.00 0.00 57.16 54.00 2fla n GLU 27 Cb 0.67 -2.19 0.37 0.00 -0.02 0.00 0.00 31.44 30.27 2fla n GLU 27 CO 0.00 0.00 0.00 0.07 1.18 0.00 0.00 177.13 178.38 2fla h ARG 28 N 1.39 0.69 -0.21 3.49 0.11 -1.91 -1.92 114.38 116.02 2fla h ARG 28 Ca 0.58 -0.04 -0.01 0.00 0.10 0.00 0.00 59.98 60.60 2fla h ARG 28 Cb 1.99 -0.16 -0.01 0.00 1.11 0.00 0.00 29.97 32.90 2fla h ARG 28 CO 1.19 0.46 0.07 0.28 0.10 0.00 0.00 179.97 182.08 2fla h VAL 29 N 0.72 1.18 -0.73 0.08 2.07 -1.85 -2.22 116.25 115.50 2fla h VAL 29 Ca 0.27 -0.55 0.06 0.00 0.82 0.00 0.00 66.70 67.30 2fla h VAL 29 Cb 0.18 1.15 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 2fla h VAL 29 CO -0.08 0.18 0.42 0.00 0.02 0.00 0.00 177.57 178.10 2fla h ALA 30 N 0.91 0.98 -0.01 1.67 0.00 -1.75 -2.82 119.26 118.25 2fla h ALA 30 Ca 0.07 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 2fla h ALA 30 Cb 0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2fla h ALA 30 CO -0.00 0.11 -0.63 0.00 0.00 0.00 0.00 179.25 178.73 2fla h ALA 31 N 1.37 0.95 -6.43 0.00 0.00 -1.24 -3.47 119.26 110.44 2fla h ALA 31 Ca 0.32 -0.57 -0.49 0.00 0.00 0.00 0.00 54.91 54.17 2fla h ALA 31 Cb 0.19 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 2fla h ALA 31 CO -0.18 0.78 -0.82 0.00 0.00 0.00 0.00 179.25 179.03 2fla n ALA 32 N -2.43 -1.55 -1.76 0.00 0.00 -0.85 -4.88 120.51 109.04 2fla n ALA 32 Ca -0.01 -0.02 -0.39 0.00 0.00 0.00 0.00 53.44 53.02 2fla n ALA 32 Cb 0.62 -3.17 0.02 0.00 0.00 0.00 0.00 19.45 16.92 2fla n ALA 32 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2fla s ARG 33 N -6.59 3.59 0.59 0.00 1.81 -1.26 -4.94 118.95 112.14 2fla s ARG 33 Ca 0.44 2.21 -0.14 0.00 -1.72 0.00 0.00 55.73 56.52 2fla s ARG 33 Cb -0.23 -2.52 -0.05 0.00 -0.45 0.00 0.00 34.95 31.71 2fla s ARG 33 CO 0.87 -0.82 1.02 -1.25 -0.68 0.00 0.00 175.30 174.44 2fla s PRO 34 N -2.58 3.59 0.00 3.54 0.04 -1.26 -4.40 135.00 133.93 2fla s PRO 34 Ca 0.64 0.94 0.00 0.00 0.04 0.00 0.00 61.00 62.61 2fla s PRO 34 Cb -0.39 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.07 2fla s PRO 34 CO 0.49 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 177.37 2fla n GLY 35 N -1.89 1.79 3.23 0.56 0.00 -1.26 -4.56 105.19 103.06 2fla n GLY 35 Ca 0.07 -0.53 -0.11 0.00 0.00 0.00 0.00 46.02 45.45 2fla n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2fla s LEU 36 N 0.00 1.05 0.40 0.99 1.43 -1.26 -4.97 118.68 116.31 2fla s LEU 36 Ca 0.00 -0.27 -0.26 0.00 -1.03 0.00 0.00 54.13 52.57 2fla s LEU 36 Cb 0.00 1.23 -0.11 0.00 0.03 0.00 0.00 46.19 47.34 2fla s LEU 36 CO 0.00 -0.61 1.14 -2.65 0.23 0.00 0.00 176.35 174.46 2fla n PRO 37 N 0.56 1.66 -0.11 1.29 -0.02 -1.26 -4.86 135.00 132.26 2fla n PRO 37 Ca -0.18 0.59 0.03 0.00 -2.02 0.00 0.00 63.50 61.91 2fla n PRO 37 Cb 0.59 -2.18 0.34 0.00 -0.02 0.00 0.00 33.50 32.24 2fla n PRO 37 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2fla h PRO 38 N 1.91 0.75 0.00 0.52 0.13 -1.87 -1.35 132.00 132.09 2fla h PRO 38 Ca -0.45 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2fla h PRO 38 Cb 1.32 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2fla h PRO 38 CO 0.59 0.49 0.00 0.39 -0.23 0.00 0.00 178.00 179.24 2fla n GLU 39 N -4.45 0.17 0.00 0.86 -0.58 -1.26 -1.95 120.64 113.43 2fla n GLU 39 Ca 0.06 0.55 0.13 0.00 -0.42 0.00 0.00 57.16 57.47 2fla n GLU 39 Cb 0.06 -1.93 0.30 0.00 -0.57 0.00 0.00 31.44 29.30 2fla n GLU 39 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2fla n GLU 40 N -2.27 0.98 -3.14 3.49 1.02 -0.51 -4.94 120.64 115.27 2fla n GLU 40 Ca 0.00 -0.65 -0.39 0.00 -0.02 0.00 0.00 57.16 56.10 2fla n GLU 40 Cb 0.12 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.00 2fla n GLU 40 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2fla s GLN 41 N -2.46 4.38 0.30 3.49 -0.21 -0.82 -4.97 119.66 119.36 2fla s GLN 41 Ca 0.24 0.77 -0.20 0.00 0.02 0.00 0.00 55.36 56.19 2fla s GLN 41 Cb 0.19 -3.40 0.04 0.00 1.00 0.00 0.00 33.01 30.84 2fla s GLN 41 CO 0.52 0.21 0.80 -3.38 -2.12 0.00 0.00 175.29 171.32 2fla s HIS 42 N 0.33 -0.05 0.39 0.91 -3.43 -1.26 -4.89 115.29 107.30 2fla s HIS 42 Ca 0.33 -0.47 0.09 0.00 -0.80 0.00 0.00 55.06 54.21 2fla s HIS 42 Cb -0.18 0.75 0.85 0.00 -1.43 0.00 0.00 32.58 32.57 2fla s HIS 42 CO 0.17 -1.29 1.98 0.00 -2.00 0.00 0.00 174.74 173.60 2fla h ALA 44 N 1.65 1.89 -0.48 0.00 0.00 -1.52 -1.15 119.26 119.66 2fla h ALA 44 Ca 0.28 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 55.03 2fla h ALA 44 Cb 0.31 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.02 2fla h ALA 44 CO -0.09 -0.07 0.10 0.27 0.00 0.00 0.00 179.25 179.46 2fla n ASN 45 N -4.27 3.70 -4.83 0.00 0.23 -0.73 -4.98 115.26 104.37 2fla n ASN 45 Ca -0.02 -3.36 -0.36 0.00 -0.53 0.00 0.00 54.58 50.31 2fla n ASN 45 Cb 0.15 -0.65 -0.07 0.00 -2.08 0.00 0.00 39.78 37.13 2fla n ASN 45 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2fla h GLN 47 N 4.92 0.00 -0.00 0.00 5.75 -0.72 -2.49 115.11 122.57 2fla h GLN 47 Ca -0.54 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 57.96 2fla h GLN 47 Cb 1.22 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.77 2fla h GLN 47 CO 0.58 0.00 -0.25 1.19 -2.65 0.00 0.00 178.83 177.70 2fla n PHE 48 N -4.36 0.00 -2.43 3.99 3.72 -1.26 -4.88 117.46 112.24 2fla n PHE 48 Ca 0.00 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.99 2fla n PHE 48 Cb 0.22 -0.30 -0.04 0.00 -0.94 0.00 0.00 39.48 38.42 2fla n PHE 48 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 176.76 178.12 2fla s MET 49 N -2.86 4.54 -0.44 -1.08 1.75 -0.94 -1.00 119.30 119.27 2fla s MET 49 Ca 0.16 1.82 -0.07 0.00 -1.25 0.00 0.00 55.69 56.36 2fla s MET 49 Cb 0.19 -3.24 0.11 0.00 2.84 0.00 0.00 34.83 34.72 2fla s MET 49 CO 0.59 -0.01 0.27 -0.65 -0.65 0.00 0.00 175.02 174.58 2fla s GLN 50 N -0.43 2.30 0.24 4.11 -0.21 0.28 -4.94 119.66 121.00 2fla s GLN 50 Ca 0.51 -1.74 0.24 0.00 0.02 0.00 0.00 55.36 54.38 2fla s GLN 50 Cb -0.32 -3.76 0.94 0.00 1.00 0.00 0.00 33.01 30.88 2fla s GLN 50 CO 0.37 -1.11 1.71 0.00 -2.12 0.00 0.00 175.29 174.14 2fla n ALA 51 N 4.78 1.75 0.22 6.09 0.00 -1.26 -2.50 120.51 129.59 2fla n ALA 51 Ca -0.06 0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.54 2fla n ALA 51 Cb 0.41 -1.39 0.27 0.00 0.00 0.00 0.00 19.45 18.74 2fla n ALA 51 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2fla n ASN 52 N -2.20 3.13 -4.36 0.00 5.15 -1.26 -4.87 115.26 110.85 2fla n ASN 52 Ca 0.03 -1.98 -0.32 0.00 -0.60 0.00 0.00 54.58 51.71 2fla n ASN 52 Cb 0.26 -0.35 -0.15 0.00 -0.53 0.00 0.00 39.78 39.00 2fla n ASN 52 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2fla s VAL 53 N -1.29 2.62 0.00 3.44 1.01 -1.04 -5.05 120.40 120.09 2fla s VAL 53 Ca 0.39 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.52 2fla s VAL 53 Cb 0.21 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.57 2fla s VAL 53 CO 0.28 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.55 2fla n GLY 54 N 2.88 -1.23 3.58 4.51 0.00 -1.26 -2.80 105.19 110.87 2fla n GLY 54 Ca -0.17 -1.56 -0.13 0.00 0.00 0.00 0.00 46.02 44.16 2fla n GLY 54 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2fla s GLU 55 N 0.00 0.76 7.61 1.61 -6.30 0.22 -4.98 118.70 117.62 2fla s GLU 55 Ca 0.00 0.99 0.00 0.00 -2.50 0.00 0.00 54.97 53.46 2fla s GLU 55 Cb 0.00 0.33 0.00 0.00 0.00 0.00 0.00 34.13 34.46 2fla s GLU 55 CO 0.00 -0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.58 2fla n GLY 56 N 3.05 2.98 0.03 -1.50 0.00 -1.26 -1.71 105.19 106.78 2fla n GLY 56 Ca -0.15 -0.21 0.16 0.00 0.00 0.00 0.00 46.02 45.81 2fla n GLY 56 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2fla n ASP 57 N 5.60 0.08 -4.17 1.61 8.00 -1.26 -4.68 116.55 121.73 2fla n ASP 57 Ca 0.00 -0.83 -0.36 0.00 0.71 0.00 0.00 54.79 54.31 2fla n ASP 57 Cb 0.00 -0.06 -0.13 0.00 -0.02 0.00 0.00 41.12 40.91 2fla n ASP 57 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2fla s TRP 58 N -2.14 3.38 0.32 1.24 0.52 -0.69 -0.73 118.94 120.84 2fla s TRP 58 Ca 0.43 -1.99 0.04 0.00 0.02 0.00 0.00 56.10 54.60 2fla s TRP 58 Cb 0.22 -2.55 -0.06 0.00 -1.15 0.00 0.00 33.47 29.93 2fla s TRP 58 CO 0.39 -0.85 0.03 0.15 0.02 0.00 0.00 176.95 176.69 2fla s LYS 59 N 1.24 1.65 0.67 4.98 -0.14 -0.25 -0.61 119.74 127.28 2fla s LYS 59 Ca 0.00 -1.90 -0.12 0.00 -1.36 0.00 0.00 55.97 52.59 2fla s LYS 59 Cb -0.21 -0.97 -0.00 0.00 -1.68 0.00 0.00 37.83 34.97 2fla s LYS 59 CO -0.01 -0.14 1.06 0.20 -0.76 0.00 0.00 175.35 175.70 2fla s GLY 60 N -3.49 1.82 -0.06 -3.33 0.00 -1.12 -0.31 107.32 100.83 2fla s GLY 60 Ca 0.35 0.20 0.02 0.00 0.00 0.00 0.00 44.72 45.28 2fla s GLY 60 CO 0.15 0.51 -0.09 0.00 0.00 0.00 0.00 173.10 173.67 2fla h GLN 62 N 7.19 0.27 0.00 0.00 -0.00 -1.43 -1.40 115.11 119.73 2fla h GLN 62 Ca -0.33 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.31 2fla h GLN 62 Cb 1.17 -0.06 0.00 0.00 0.00 0.00 0.00 27.48 28.59 2fla h GLN 62 CO 0.46 0.18 0.00 1.28 0.00 0.00 0.00 178.83 180.75 2fla n LEU 63 N -4.45 0.43 -3.36 -2.39 4.77 -1.26 -4.13 117.00 106.61 2fla n LEU 63 Ca 0.09 0.56 -0.27 0.00 -0.03 0.00 0.00 56.01 56.37 2fla n LEU 63 Cb 0.42 -0.45 -0.08 0.00 -2.33 0.00 0.00 43.42 40.99 2fla n LEU 63 CO 0.35 -0.21 0.03 0.49 -1.33 0.00 0.00 177.39 176.71 2fla n PHE 64 N -1.93 3.09 -1.86 -1.77 3.72 -0.53 -5.09 117.46 113.10 2fla n PHE 64 Ca 0.05 -4.07 -0.41 0.00 -0.05 0.00 0.00 57.45 52.97 2fla n PHE 64 Cb 0.33 -0.53 -0.02 0.00 -0.94 0.00 0.00 39.48 38.33 2fla n PHE 64 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2fla s PRO 65 N -2.35 4.17 0.00 -1.08 0.04 -1.26 -1.95 135.00 132.57 2fla s PRO 65 Ca 0.40 2.49 0.00 0.00 0.04 0.00 0.00 61.00 63.92 2fla s PRO 65 Cb 0.16 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.65 2fla s PRO 65 CO -0.03 -0.55 0.00 0.41 0.04 0.00 0.00 177.00 176.87 2fla n GLY 66 N 2.05 0.75 3.74 0.56 0.00 -1.26 -5.03 105.19 106.00 2fla n GLY 66 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 2fla n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fla s LYS 67 N -0.14 2.17 0.03 1.61 1.02 -0.82 -4.92 119.74 118.68 2fla s LYS 67 Ca 0.00 -2.38 0.05 0.00 0.02 0.00 0.00 55.97 53.65 2fla s LYS 67 Cb 0.00 -1.42 -0.02 0.00 -0.52 0.00 0.00 37.83 35.87 2fla s LYS 67 CO 0.00 -0.38 -0.14 -0.51 -0.92 0.00 0.00 175.35 173.40 2fla s LEU 68 N -3.85 2.13 0.41 3.17 1.43 -0.39 -4.52 118.68 117.06 2fla s LEU 68 Ca 0.07 -0.40 0.08 0.00 -1.03 0.00 0.00 54.13 52.85 2fla s LEU 68 Cb 0.02 -0.62 -0.02 0.00 0.03 0.00 0.00 46.19 45.59 2fla s LEU 68 CO 0.04 0.07 0.38 0.27 0.23 0.00 0.00 176.35 177.34 2fla s ILE 69 N -0.70 2.70 -0.11 -0.59 -5.25 0.58 -0.85 121.20 116.97 2fla s ILE 69 Ca 0.03 -1.33 -0.11 0.00 -0.99 0.00 0.00 60.65 58.24 2fla s ILE 69 Cb -0.07 -3.01 -0.05 0.00 2.95 0.00 0.00 42.46 42.29 2fla s ILE 69 CO 0.01 -0.01 0.25 0.21 -1.79 0.00 0.00 174.94 173.61 2fla s ASN 70 N -4.13 6.48 0.64 4.36 3.84 -1.26 -1.09 114.94 123.78 2fla s ASN 70 Ca 0.48 0.57 0.37 0.00 0.21 0.00 0.00 52.86 54.49 2fla s ASN 70 Cb -0.03 -2.15 2.07 0.00 -0.55 0.00 0.00 41.25 40.59 2fla s ASN 70 CO 0.28 0.27 2.23 -0.37 -2.79 0.00 0.00 177.10 176.72 2fla h VAL 71 N 4.21 0.17 -0.51 -5.21 -1.51 -1.25 0.53 116.25 112.68 2fla h VAL 71 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 2fla h VAL 71 Cb 1.20 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 31.27 2fla h VAL 71 CO 0.66 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 177.59 2fla n ASN 72 N -3.30 2.81 -2.09 4.19 3.02 -1.26 -1.37 115.26 117.26 2fla n ASN 72 Ca -0.02 -1.99 -0.01 0.00 -0.03 0.00 0.00 54.58 52.53 2fla n ASN 72 Cb 0.17 -0.34 0.01 0.00 -0.61 0.00 0.00 39.78 39.00 2fla n ASN 72 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2fla n GLY 73 N 1.34 -0.02 3.54 7.41 0.00 0.18 -0.14 105.19 117.50 2fla n GLY 73 Ca 0.18 -1.84 -0.15 0.00 0.00 0.00 0.00 46.02 44.21 2fla n GLY 73 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2fla s TRP 74 N -0.40 -0.55 0.25 1.61 -0.00 -0.42 -0.47 118.94 118.97 2fla s TRP 74 Ca 0.03 0.94 -0.05 0.00 -0.00 0.00 0.00 56.10 57.02 2fla s TRP 74 Cb -0.00 0.42 -0.02 0.00 -0.00 0.00 0.00 33.47 33.87 2fla s TRP 74 CO 0.02 -0.50 0.32 0.00 -0.00 0.00 0.00 176.95 176.79 2fla n ALA 76 N -0.39 1.97 1.32 0.00 0.00 0.49 -1.32 120.51 122.57 2fla n ALA 76 Ca 0.01 -0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.47 2fla n ALA 76 Cb 0.63 -1.32 0.36 0.00 0.00 0.00 0.00 19.45 19.13 2fla n ALA 76 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2fla n SER 77 N -1.40 1.39 -4.56 0.00 2.88 -1.26 -4.95 113.62 105.72 2fla n SER 77 Ca 0.07 -1.71 -0.53 0.00 -1.33 0.00 0.00 58.87 55.37 2fla n SER 77 Cb 0.19 -0.10 -0.06 0.00 -0.75 0.00 0.00 64.21 63.49 2fla n SER 77 CO 0.00 0.00 0.00 1.87 -1.23 0.00 0.00 175.04 175.68 2fla n TRP 78 N 0.16 1.25 -3.81 0.66 -0.00 -0.44 -4.96 117.44 110.30 2fla n TRP 78 Ca 0.15 0.75 -0.13 0.00 -0.00 0.00 0.00 57.50 58.27 2fla n TRP 78 Cb 0.28 -2.26 -0.14 0.00 -0.00 0.00 0.00 31.31 29.18 2fla n TRP 78 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 2fla s THR 79 N 0.28 -0.02 0.28 5.87 2.01 -1.26 -4.85 115.64 117.95 2fla s THR 79 Ca 0.85 0.08 -0.30 0.00 0.31 0.00 0.00 61.69 62.63 2fla s THR 79 Cb -1.02 -0.14 -0.13 0.00 0.01 0.00 0.00 72.50 71.22 2fla s THR 79 CO 0.50 0.03 1.44 -0.11 -0.69 0.00 0.00 174.62 175.80 2fla n LEU 80 N 3.51 3.66 -4.57 4.42 7.94 -1.26 -0.24 117.00 130.46 2fla n LEU 80 Ca -0.18 1.16 -0.40 0.00 -1.11 0.00 0.00 56.01 55.48 2fla n LEU 80 Cb 0.56 -1.50 -0.03 0.00 0.53 0.00 0.00 43.42 42.98 2fla n LEU 80 CO 0.22 -0.26 1.55 -0.75 -1.11 0.00 0.00 177.39 177.04 2fla s LYS 81 N -0.83 2.89 -0.00 1.96 2.47 -0.15 -3.89 119.74 122.19 2fla s LYS 81 Ca 0.64 0.83 0.14 0.00 -1.56 0.00 0.00 55.97 56.02 2fla s LYS 81 Cb -0.58 -4.31 -0.16 0.00 -1.46 0.00 0.00 37.83 31.32 2fla s LYS 81 CO 0.53 -2.41 0.58 0.00 0.16 0.00 0.00 175.35 174.20 2fla n ALA 82 N 11.79 3.72 0.00 3.13 0.00 -1.26 -4.90 120.51 132.99 2fla n ALA 82 Ca 0.21 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2fla n ALA 82 Cb 0.50 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.44 2fla n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91