#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gcf n ALA 2 N 0.00 -0.51 -3.22 -5.12 0.00 -1.26 -4.95 120.51 105.45 2gcf n ALA 2 Ca 0.00 0.47 -0.24 0.00 0.00 0.00 0.00 53.44 53.67 2gcf n ALA 2 Cb 0.00 -2.08 -0.06 0.00 0.00 0.00 0.00 19.45 17.30 2gcf n ALA 2 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2gcf n GLN 3 N 2.06 1.10 -3.60 0.00 -0.06 -1.26 -5.10 117.38 110.52 2gcf n GLN 3 Ca 0.16 -3.51 -0.37 0.00 -2.00 0.00 0.00 57.00 51.27 2gcf n GLN 3 Cb 0.24 -1.47 -0.07 0.00 -4.06 0.00 0.00 30.24 24.88 2gcf n GLN 3 CO 0.00 0.00 0.00 -0.08 -0.20 0.00 0.00 177.06 176.78 2gcf s THR 4 N -1.66 5.28 -0.15 1.69 -1.32 -1.26 -4.23 115.64 114.00 2gcf s THR 4 Ca 0.37 0.54 -0.08 0.00 -1.21 0.00 0.00 61.69 61.31 2gcf s THR 4 Cb 0.20 -3.60 -0.04 0.00 -1.51 0.00 0.00 72.50 67.54 2gcf s THR 4 CO -0.09 0.48 0.14 -0.63 -2.21 0.00 0.00 174.62 172.31 2gcf s ILE 5 N -0.23 5.48 -0.01 5.08 1.09 -0.23 -4.90 121.20 127.48 2gcf s ILE 5 Ca 0.18 0.20 0.07 0.00 -1.10 0.00 0.00 60.65 60.00 2gcf s ILE 5 Cb -0.14 -3.42 -0.02 0.00 -1.06 0.00 0.00 42.46 37.82 2gcf s ILE 5 CO 0.06 0.56 -0.22 0.54 -0.10 0.00 0.00 174.94 175.79 2gcf s ASN 6 N -0.59 2.54 0.01 3.58 2.20 -1.26 -1.38 114.94 120.03 2gcf s ASN 6 Ca 0.13 -0.40 -0.29 0.00 -0.94 0.00 0.00 52.86 51.36 2gcf s ASN 6 Cb -0.12 -0.28 0.11 0.00 -2.00 0.00 0.00 41.25 38.96 2gcf s ASN 6 CO 0.02 0.26 1.25 -1.48 -2.94 0.00 0.00 177.10 174.21 2gcf s LEU 7 N -0.57 -0.05 0.35 3.54 2.34 -0.94 -4.87 118.68 118.48 2gcf s LEU 7 Ca 0.08 -0.21 0.04 0.00 0.06 0.00 0.00 54.13 54.10 2gcf s LEU 7 Cb -0.08 1.47 -0.02 0.00 -0.56 0.00 0.00 46.19 47.00 2gcf s LEU 7 CO -0.01 -0.39 0.52 -1.10 -1.06 0.00 0.00 176.35 174.31 2gcf s GLN 8 N -2.37 3.23 -0.61 1.48 -0.21 -0.60 -0.63 119.66 119.95 2gcf s GLN 8 Ca 0.18 -0.71 0.04 0.00 0.02 0.00 0.00 55.36 54.90 2gcf s GLN 8 Cb 0.03 -2.74 0.16 0.00 1.00 0.00 0.00 33.01 31.46 2gcf s GLN 8 CO -0.02 0.06 0.42 -1.17 -2.12 0.00 0.00 175.29 172.46 2gcf s LEU 9 N -4.26 3.94 -0.16 2.90 0.20 0.83 -0.10 118.68 122.02 2gcf s LEU 9 Ca 0.43 -3.53 -0.29 0.00 0.69 0.00 0.00 54.13 51.43 2gcf s LEU 9 Cb -0.10 -1.35 -0.05 0.00 -0.43 0.00 0.00 46.19 44.26 2gcf s LEU 9 CO 0.33 -0.13 1.96 -0.70 -0.29 0.00 0.00 176.35 177.53 2gcf s GLU 10 N -0.91 3.58 0.00 1.98 2.12 0.78 -2.74 118.70 123.51 2gcf s GLU 10 Ca 0.25 2.04 0.00 0.00 0.36 0.00 0.00 54.97 57.62 2gcf s GLU 10 Cb -0.06 -4.22 0.00 0.00 0.26 0.00 0.00 34.13 30.11 2gcf s GLU 10 CO -0.14 -1.58 0.00 0.41 -0.54 0.00 0.00 175.26 173.41 2gcf n GLY 11 N 5.13 0.29 3.68 -1.50 0.00 -1.26 -1.07 105.19 110.47 2gcf n GLY 11 Ca 0.24 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.78 2gcf n GLY 11 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2gcf n MET 12 N -1.62 2.17 0.00 1.61 0.00 -1.11 -4.76 117.12 113.41 2gcf n MET 12 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 57.70 58.50 2gcf n MET 12 Cb 0.00 -2.63 0.00 0.00 0.00 0.00 0.00 33.22 30.59 2gcf n MET 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2gcf n ARG 13 N 6.35 0.00 -1.06 3.17 1.74 -1.26 -5.05 116.66 120.54 2gcf n ARG 13 Ca 0.22 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 2gcf n ARG 13 Cb 0.29 -0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.73 2gcf n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2gcf n ALA 15 N -3.00 0.00 0.00 0.00 0.00 -1.26 -4.05 120.51 112.20 2gcf n ALA 15 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2gcf n ALA 15 Cb 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.27 2gcf n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gcf n ALA 16 N 1.00 0.00 0.51 0.00 0.00 -1.26 -4.81 120.51 115.96 2gcf n ALA 16 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2gcf n ALA 16 Cb 0.31 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.91 2gcf n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gcf h ALA 18 N 2.13 0.68 0.00 0.00 0.00 -1.87 -1.92 119.26 118.28 2gcf h ALA 18 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2gcf h ALA 18 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2gcf h ALA 18 CO 0.00 0.01 0.00 1.03 0.00 0.00 0.00 179.25 180.29 2gcf h SER 19 N 0.62 0.00 0.73 0.00 0.87 -1.93 -2.28 113.55 111.55 2gcf h SER 19 Ca 0.22 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 2gcf h SER 19 Cb 0.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 2gcf h SER 19 CO -0.10 0.00 0.00 -1.28 -0.53 0.00 0.00 176.83 174.92 2gcf h SER 20 N 0.00 0.00 0.36 6.23 0.87 -1.56 -1.86 113.55 117.58 2gcf h SER 20 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2gcf h SER 20 Cb 0.45 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 2gcf h SER 20 CO 0.00 0.00 -0.17 0.40 -0.53 0.00 0.00 176.83 176.53 2gcf h ILE 21 N 0.00 0.65 -0.30 2.23 2.04 -1.35 0.21 117.51 120.99 2gcf h ILE 21 Ca 0.00 -0.38 0.06 0.00 1.00 0.00 0.00 64.86 65.54 2gcf h ILE 21 Cb 0.36 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 2gcf h ILE 21 CO 0.00 0.07 -0.05 -0.33 0.00 0.00 0.00 178.15 177.84 2gcf h GLU 22 N -0.69 0.02 0.00 2.37 5.08 -1.60 0.06 114.58 119.82 2gcf h GLU 22 Ca -0.05 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 2gcf h GLU 22 Cb 0.49 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2gcf h GLU 22 CO 0.08 0.02 -0.30 -0.09 -1.00 0.00 0.00 179.01 177.71 2gcf h ARG 23 N 0.02 0.00 -0.09 2.33 9.65 -1.38 -0.92 114.38 123.99 2gcf h ARG 23 Ca 0.15 0.00 -0.15 0.00 -1.10 0.00 0.00 59.98 58.88 2gcf h ARG 23 Cb 0.22 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.80 2gcf h ARG 23 CO -0.29 0.30 -0.53 0.00 2.80 0.00 0.00 179.97 182.25 2gcf h ALA 24 N 1.70 0.19 -0.01 2.80 0.00 0.07 -3.29 119.26 120.71 2gcf h ALA 24 Ca -0.00 -0.52 -0.08 0.00 0.00 0.00 0.00 54.91 54.31 2gcf h ALA 24 Cb 0.68 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2gcf h ALA 24 CO 0.04 0.39 -0.39 0.82 0.00 0.00 0.00 179.25 180.11 2gcf h ILE 25 N 0.11 1.28 0.00 0.00 2.04 -0.84 -3.23 117.51 116.88 2gcf h ILE 25 Ca -0.04 -1.36 0.00 0.00 1.00 0.00 0.00 64.86 64.46 2gcf h ILE 25 Cb 1.18 1.72 0.00 0.00 -0.74 0.00 0.00 36.82 38.97 2gcf h ILE 25 CO 0.11 0.39 0.27 0.00 0.00 0.00 0.00 178.15 178.92 2gcf n ALA 26 N -2.47 0.61 1.06 1.87 0.00 -0.37 0.18 120.51 121.40 2gcf n ALA 26 Ca -0.02 0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.62 2gcf n ALA 26 Cb 0.43 -0.72 0.14 0.00 0.00 0.00 0.00 19.45 19.31 2gcf n ALA 26 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2gcf n LYS 27 N -1.79 0.43 -2.54 0.00 4.01 -1.22 -4.92 118.16 112.14 2gcf n LYS 27 Ca -0.01 -0.30 -0.42 0.00 -0.51 0.00 0.00 58.31 57.07 2gcf n LYS 27 Cb 0.28 -1.49 -0.03 0.00 -0.51 0.00 0.00 35.03 33.28 2gcf n LYS 27 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2gcf s VAL 28 N -2.78 4.42 0.38 -0.18 1.01 0.13 -4.95 120.40 118.43 2gcf s VAL 28 Ca 0.15 1.73 0.05 0.00 0.00 0.00 0.00 61.98 63.91 2gcf s VAL 28 Cb 0.18 -4.11 0.24 0.00 0.00 0.00 0.00 36.38 32.68 2gcf s VAL 28 CO 0.67 0.02 2.00 1.55 0.00 0.00 0.00 175.10 179.35 2gcf h PRO 29 N 7.25 0.60 -0.41 2.72 0.13 -1.91 -2.23 132.00 138.15 2gcf h PRO 29 Ca -0.34 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2gcf h PRO 29 Cb 1.17 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2gcf h PRO 29 CO 0.86 0.45 0.00 0.41 -0.23 0.00 0.00 178.00 179.49 2gcf n GLY 30 N -1.31 0.07 3.56 1.56 0.00 -1.26 -4.83 105.19 102.99 2gcf n GLY 30 Ca 0.03 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 2gcf n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gcf s VAL 31 N -1.60 3.01 0.18 1.61 0.11 -0.84 -2.39 120.40 120.49 2gcf s VAL 31 Ca 0.01 0.01 0.02 0.00 -2.93 0.00 0.00 61.98 59.09 2gcf s VAL 31 Cb 0.01 -3.02 -0.11 0.00 -1.53 0.00 0.00 36.38 31.72 2gcf s VAL 31 CO 0.01 -0.02 1.43 -0.61 -3.33 0.00 0.00 175.10 172.58 2gcf h GLN 32 N 18.26 0.25 0.00 1.54 -0.00 -1.05 -3.48 115.11 130.63 2gcf h GLN 32 Ca -0.29 -0.23 0.00 0.00 -0.00 0.00 0.00 58.65 58.13 2gcf h GLN 32 Cb 1.26 0.06 0.00 0.00 0.00 0.00 0.00 27.48 28.79 2gcf h GLN 32 CO 1.10 0.91 0.00 0.45 0.00 0.00 0.00 178.83 181.29 2gcf n SER 33 N -3.75 0.00 -4.46 -0.69 2.88 -1.24 -4.97 113.62 101.38 2gcf n SER 33 Ca -0.04 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.17 2gcf n SER 33 Cb 0.74 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 64.07 2gcf n SER 33 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2gcf s GLN 35 N 0.59 -0.07 0.02 0.00 1.11 -0.98 -4.98 119.66 115.35 2gcf s GLN 35 Ca -0.03 0.34 0.06 0.00 0.01 0.00 0.00 55.36 55.74 2gcf s GLN 35 Cb -0.14 -0.46 -0.02 0.00 -1.01 0.00 0.00 33.01 31.38 2gcf s GLN 35 CO 0.03 -0.30 -0.17 0.54 0.01 0.00 0.00 175.29 175.39 2gcf s VAL 36 N 1.94 1.39 -0.40 1.09 0.11 -1.26 0.00 120.40 123.27 2gcf s VAL 36 Ca 0.02 -0.94 -0.13 0.00 -2.93 0.00 0.00 61.98 58.00 2gcf s VAL 36 Cb -0.12 -1.20 0.03 0.00 -1.53 0.00 0.00 36.38 33.56 2gcf s VAL 36 CO -0.03 0.23 0.27 0.21 -3.33 0.00 0.00 175.10 172.45 2gcf s ASN 37 N -0.82 5.95 0.00 3.54 3.84 -0.03 -4.99 114.94 122.42 2gcf s ASN 37 Ca 0.06 -1.00 0.00 0.00 0.21 0.00 0.00 52.86 52.13 2gcf s ASN 37 Cb -0.08 -2.10 0.00 0.00 -0.55 0.00 0.00 41.25 38.52 2gcf s ASN 37 CO 0.01 -0.44 0.59 0.49 -2.79 0.00 0.00 177.10 174.95 2gcf n PHE 38 N 5.09 0.00 0.00 0.43 3.72 -1.26 -1.12 117.46 124.31 2gcf n PHE 38 Ca -0.11 -0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.02 2gcf n PHE 38 Cb 0.46 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.83 2gcf n PHE 38 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2gcf n ALA 39 N 0.58 1.21 0.24 4.37 0.00 -1.26 -4.88 120.51 120.77 2gcf n ALA 39 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 2gcf n ALA 39 Cb 0.30 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.82 2gcf n ALA 39 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2gcf n LEU 40 N -0.92 2.17 0.00 0.00 7.94 -1.20 -5.03 117.00 119.97 2gcf n LEU 40 Ca 0.00 -1.32 0.00 0.00 -1.11 0.00 0.00 56.01 53.58 2gcf n LEU 40 Cb 0.00 -0.07 0.00 0.00 0.53 0.00 0.00 43.42 43.88 2gcf n LEU 40 CO 0.00 0.47 0.00 -0.62 -1.11 0.00 0.00 177.39 176.13 2gcf n GLU 41 N 0.53 -0.71 -2.52 1.96 1.02 -0.28 -4.95 120.64 115.68 2gcf n GLU 41 Ca 0.07 0.18 -0.35 0.00 -0.02 0.00 0.00 57.16 57.05 2gcf n GLU 41 Cb 0.30 -3.82 -0.03 0.00 -0.02 0.00 0.00 31.44 27.87 2gcf n GLU 41 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 2gcf s GLN 42 N -0.83 3.84 0.18 3.49 -2.07 -1.25 -0.12 119.66 122.89 2gcf s GLN 42 Ca 0.00 1.41 0.07 0.00 -1.82 0.00 0.00 55.36 55.02 2gcf s GLN 42 Cb 0.00 -2.17 -0.04 0.00 -1.09 0.00 0.00 33.01 29.71 2gcf s GLN 42 CO 0.00 -0.41 0.00 0.00 -1.32 0.00 0.00 175.29 173.56 2gcf s ALA 43 N -1.91 3.20 -0.05 2.60 0.00 0.20 -0.85 121.76 124.96 2gcf s ALA 43 Ca 0.66 -1.38 -0.02 0.00 0.00 0.00 0.00 51.96 51.22 2gcf s ALA 43 Cb -0.18 -0.99 0.03 0.00 0.00 0.00 0.00 23.12 21.98 2gcf s ALA 43 CO 0.22 0.47 0.05 0.54 0.00 0.00 0.00 175.76 177.05 2gcf s VAL 44 N -1.75 -0.04 -0.11 0.00 0.11 0.10 -2.22 120.40 116.49 2gcf s VAL 44 Ca 0.28 0.34 -0.08 0.00 -2.93 0.00 0.00 61.98 59.59 2gcf s VAL 44 Cb -0.09 -0.24 0.04 0.00 -1.53 0.00 0.00 36.38 34.56 2gcf s VAL 44 CO 0.19 0.16 0.28 -0.69 -3.33 0.00 0.00 175.10 171.71 2gcf s VAL 45 N 2.14 -0.02 -0.12 2.04 1.01 -0.48 -2.31 120.40 122.66 2gcf s VAL 45 Ca 0.05 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.07 2gcf s VAL 45 Cb -0.12 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 35.80 2gcf s VAL 45 CO -0.04 0.03 0.02 -0.55 0.00 0.00 0.00 175.10 174.56 2gcf s SER 46 N 0.80 5.35 -0.40 3.32 0.15 -1.26 -1.07 113.70 120.59 2gcf s SER 46 Ca -0.05 0.12 0.07 0.00 0.70 0.00 0.00 55.95 56.79 2gcf s SER 46 Cb -0.06 -1.66 0.33 0.00 -1.71 0.00 0.00 66.02 62.92 2gcf s SER 46 CO -0.05 0.32 1.28 0.00 1.20 0.00 0.00 173.24 175.98 2gcf n TYR 47 N 2.56 -2.18 -4.06 3.44 4.11 -1.14 -0.40 117.16 119.50 2gcf n TYR 47 Ca -0.18 -1.74 -0.14 0.00 -0.00 0.00 0.00 57.90 55.84 2gcf n TYR 47 Cb 0.53 1.54 -0.14 0.00 -0.00 0.00 0.00 39.34 41.27 2gcf n TYR 47 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.86 175.85 2gcf s HIS 48 N 0.18 0.37 0.00 -3.48 3.76 -1.00 -4.71 115.29 110.41 2gcf s HIS 48 Ca 0.19 -0.16 0.00 0.00 -0.15 0.00 0.00 55.06 54.94 2gcf s HIS 48 Cb 0.33 -0.23 0.00 0.00 1.11 0.00 0.00 32.58 33.78 2gcf s HIS 48 CO -0.08 -0.03 0.00 0.41 -0.85 0.00 0.00 174.74 174.19 2gcf n GLY 49 N 2.67 4.63 0.41 -2.22 0.00 -1.26 -4.14 105.19 105.28 2gcf n GLY 49 Ca -0.15 -1.14 0.21 0.00 0.00 0.00 0.00 46.02 44.94 2gcf n GLY 49 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2gcf h GLU 50 N 0.00 0.25 -0.98 1.61 3.07 -2.03 -3.27 114.58 113.22 2gcf h GLU 50 Ca 0.00 -0.02 0.02 0.00 -0.50 0.00 0.00 59.36 58.87 2gcf h GLU 50 Cb 0.00 -0.06 -0.21 0.00 -0.84 0.00 0.00 28.75 27.65 2gcf h GLU 50 CO 0.00 0.17 -0.38 0.99 -1.40 0.00 0.00 179.01 178.38 2gcf s THR 51 N -5.26 -0.98 -0.49 1.13 2.01 -1.26 -5.13 115.64 105.66 2gcf s THR 51 Ca -0.07 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 61.89 2gcf s THR 51 Cb 0.22 -0.83 0.13 0.00 0.01 0.00 0.00 72.50 72.03 2gcf s THR 51 CO 0.77 0.00 0.31 0.42 -0.69 0.00 0.00 174.62 175.43 2gcf s THR 52 N 2.68 3.65 0.00 -0.82 -4.23 -1.24 -5.09 115.64 110.59 2gcf s THR 52 Ca 0.11 -2.23 0.00 0.00 -1.18 0.00 0.00 61.69 58.39 2gcf s THR 52 Cb -0.09 -3.44 0.00 0.00 1.34 0.00 0.00 72.50 70.31 2gcf s THR 52 CO -0.23 -0.77 0.00 -0.81 -0.54 0.00 0.00 174.62 172.27 2gcf n PRO 53 N 4.37 3.33 0.00 3.99 -0.04 -1.26 -4.87 135.00 140.52 2gcf n PRO 53 Ca -0.01 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.46 2gcf n PRO 53 Cb 0.40 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 33.91 2gcf n PRO 53 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2gcf n GLN 54 N 0.00 0.09 0.23 0.54 7.27 -1.26 -2.64 117.38 121.61 2gcf n GLN 54 Ca 0.00 0.00 0.15 0.00 0.07 0.00 0.00 57.00 57.22 2gcf n GLN 54 Cb 0.00 -1.27 0.83 0.00 2.41 0.00 0.00 30.24 32.21 2gcf n GLN 54 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 2gcf h ILE 55 N 0.00 0.57 -0.40 1.69 1.08 -1.98 0.84 117.51 119.31 2gcf h ILE 55 Ca 0.00 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.58 2gcf h ILE 55 Cb 0.00 0.91 -0.02 0.00 -3.07 0.00 0.00 36.82 34.64 2gcf h ILE 55 CO 0.00 0.00 0.31 0.17 -0.69 0.00 0.00 178.15 177.94 2gcf h LEU 56 N 0.00 0.00 0.06 1.44 8.10 -1.84 -2.72 115.31 120.35 2gcf h LEU 56 Ca 0.06 0.00 -0.37 0.00 0.11 0.00 0.00 57.88 57.68 2gcf h LEU 56 Cb 0.29 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.47 2gcf h LEU 56 CO -0.00 0.00 -2.11 0.41 -4.11 0.00 0.00 178.44 172.63 2gcf n THR 57 N -4.26 1.65 -0.31 0.15 -1.04 0.14 -4.58 114.28 106.02 2gcf n THR 57 Ca 0.07 -0.54 0.13 0.00 -2.04 0.00 0.00 64.05 61.67 2gcf n THR 57 Cb 0.49 -1.68 0.31 0.00 -1.82 0.00 0.00 70.33 67.63 2gcf n THR 57 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 2gcf h ASP 58 N -0.15 0.35 0.63 8.00 3.58 -0.83 0.18 116.42 128.18 2gcf h ASP 58 Ca -0.49 0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.12 2gcf h ASP 58 Cb 1.88 0.13 0.00 0.00 1.72 0.00 0.00 39.33 43.06 2gcf h ASP 58 CO -0.04 0.01 0.00 0.00 -2.88 0.00 0.00 179.24 176.33 2gcf n ALA 59 N -2.49 1.70 0.01 -0.78 0.00 -1.12 -1.32 120.51 116.52 2gcf n ALA 59 Ca 0.22 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.45 2gcf n ALA 59 Cb 0.65 -1.31 -0.14 0.00 0.00 0.00 0.00 19.45 18.66 2gcf n ALA 59 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2gcf h VAL 60 N 0.00 1.13 -0.81 0.00 2.07 -0.93 -3.39 116.25 114.32 2gcf h VAL 60 Ca 0.00 -2.43 0.02 0.00 0.82 0.00 0.00 66.70 65.11 2gcf h VAL 60 Cb 0.32 2.81 -0.04 0.00 -1.52 0.00 0.00 31.29 32.85 2gcf h VAL 60 CO 0.00 0.70 0.53 -0.33 0.02 0.00 0.00 177.57 178.49 2gcf h GLU 61 N -0.33 1.04 -0.24 1.57 4.39 -0.71 -2.00 114.58 118.29 2gcf h GLU 61 Ca -0.27 -0.06 0.07 0.00 0.34 0.00 0.00 59.36 59.44 2gcf h GLU 61 Cb 1.73 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 30.13 2gcf h GLU 61 CO 0.07 0.69 0.39 0.07 -1.16 0.00 0.00 179.01 179.07 2gcf h ARG 62 N 1.07 0.00 -0.01 2.33 -0.00 -1.40 0.24 114.38 116.62 2gcf h ARG 62 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.29 2gcf h ARG 62 Cb -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.90 2gcf h ARG 62 CO -0.08 0.00 -0.27 0.00 -0.00 0.00 0.00 179.97 179.62 2gcf n ALA 63 N -2.17 3.09 -0.41 0.08 0.00 -0.76 -4.93 120.51 115.41 2gcf n ALA 63 Ca 0.03 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2gcf n ALA 63 Cb 0.51 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.82 2gcf n ALA 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gcf n GLY 64 N 1.35 0.76 3.40 0.00 0.00 0.07 -4.88 105.19 105.89 2gcf n GLY 64 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 2gcf n GLY 64 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2gcf s TYR 65 N -2.32 2.14 0.43 1.61 2.02 -1.17 -4.91 117.35 115.15 2gcf s TYR 65 Ca 0.00 -0.39 0.06 0.00 -0.37 0.00 0.00 57.07 56.37 2gcf s TYR 65 Cb 0.00 -1.05 -0.06 0.00 -0.40 0.00 0.00 41.96 40.45 2gcf s TYR 65 CO 0.00 0.46 0.07 -1.01 -1.57 0.00 0.00 175.55 173.49 2gcf s HIS 66 N -1.84 2.39 -0.47 2.71 3.76 -0.23 -2.92 115.29 118.69 2gcf s HIS 66 Ca 0.20 -0.71 -0.18 0.00 -0.15 0.00 0.00 55.06 54.22 2gcf s HIS 66 Cb -0.07 -1.80 0.05 0.00 1.11 0.00 0.00 32.58 31.87 2gcf s HIS 66 CO 0.09 0.31 0.50 0.00 -0.85 0.00 0.00 174.74 174.78 2gcf s ALA 67 N -2.72 3.44 -0.92 -1.40 0.00 -1.26 -0.16 121.76 118.75 2gcf s ALA 67 Ca 0.31 -1.75 -0.24 0.00 0.00 0.00 0.00 51.96 50.29 2gcf s ALA 67 Cb 0.06 -3.17 0.05 0.00 0.00 0.00 0.00 23.12 20.07 2gcf s ALA 67 CO 0.17 -1.78 1.35 0.50 0.00 0.00 0.00 175.76 176.00 2gcf s ARG 68 N 2.20 3.46 -0.41 0.00 6.06 0.86 -4.87 118.95 126.25 2gcf s ARG 68 Ca 0.11 -0.92 -0.29 0.00 -2.50 0.00 0.00 55.73 52.14 2gcf s ARG 68 Cb -0.20 -4.94 0.02 0.00 0.06 0.00 0.00 34.95 29.89 2gcf s ARG 68 CO 0.11 -2.14 1.24 0.08 -2.50 0.00 0.00 175.30 172.10 2gcf s VAL 69 N 4.96 4.14 0.05 7.11 1.01 -1.26 -1.56 120.40 134.84 2gcf s VAL 69 Ca 0.41 1.20 0.07 0.00 0.00 0.00 0.00 61.98 63.66 2gcf s VAL 69 Cb -0.03 -4.38 -0.02 0.00 0.00 0.00 0.00 36.38 31.94 2gcf s VAL 69 CO -0.02 -0.77 -0.19 -1.48 0.00 0.00 0.00 175.10 172.63 2gcf s LEU 70 N 4.65 2.17 -0.14 3.92 0.05 -1.26 -5.03 118.68 123.03 2gcf s LEU 70 Ca 0.53 -0.51 -0.08 0.00 0.05 0.00 0.00 54.13 54.11 2gcf s LEU 70 Cb -0.11 -0.88 0.05 0.00 -2.05 0.00 0.00 46.19 43.20 2gcf s LEU 70 CO 0.28 0.13 0.35 -0.54 -0.55 0.00 0.00 176.35 176.02 2gcf s LYS 71 N -1.20 0.33 -0.34 1.48 3.01 -1.26 -4.94 119.74 116.81 2gcf s LYS 71 Ca 0.06 0.66 0.09 0.00 -1.01 0.00 0.00 55.97 55.77 2gcf s LYS 71 Cb -0.09 -0.02 0.33 0.00 -1.01 0.00 0.00 37.83 37.04 2gcf s LYS 71 CO 0.02 -0.14 1.32 0.94 0.51 0.00 0.00 175.35 178.00 2gcf n GLN 72 N 4.05 1.05 0.00 1.68 7.27 -1.26 -5.31 117.38 124.86 2gcf n GLN 72 Ca -0.22 -1.36 0.00 0.00 0.07 0.00 0.00 57.00 55.49 2gcf n GLN 72 Cb 0.55 0.12 0.00 0.00 2.41 0.00 0.00 30.24 33.32 2gcf n GLN 72 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07