#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 -3.46 -3.17 3.17 0.00 -1.26 -5.09 120.51 110.70 2gcf n ALA 2 Ca 0.00 0.75 0.04 0.00 0.00 0.00 0.00 53.44 54.23 2gcf n ALA 2 Cb 0.00 -1.41 -0.04 0.00 0.00 0.00 0.00 19.45 18.00 2gcf n ALA 2 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2gcf s GLN 3 N -4.13 0.03 -0.06 0.00 -2.07 -1.26 -5.13 119.66 107.04 2gcf s GLN 3 Ca 0.00 0.08 -0.06 0.00 -1.82 0.00 0.00 55.36 53.56 2gcf s GLN 3 Cb 0.00 0.05 -0.04 0.00 -1.09 0.00 0.00 33.01 31.93 2gcf s GLN 3 CO 0.00 -0.01 0.18 -0.08 -1.32 0.00 0.00 175.29 174.06 2gcf s THR 4 N 2.18 5.44 -0.27 3.63 -1.32 -1.26 -4.39 115.64 119.64 2gcf s THR 4 Ca -0.01 0.10 -0.15 0.00 -1.21 0.00 0.00 61.69 60.42 2gcf s THR 4 Cb -0.02 -3.48 -0.04 0.00 -1.51 0.00 0.00 72.50 67.46 2gcf s THR 4 CO -0.15 0.48 0.37 -0.63 -2.21 0.00 0.00 174.62 172.48 2gcf s ILE 5 N -1.17 5.18 -0.13 5.08 -1.09 0.14 -4.89 121.20 124.32 2gcf s ILE 5 Ca 0.21 0.53 -0.06 0.00 -2.23 0.00 0.00 60.65 59.10 2gcf s ILE 5 Cb -0.13 -3.70 -0.04 0.00 -1.58 0.00 0.00 42.46 37.02 2gcf s ILE 5 CO 0.11 0.14 0.08 0.54 -1.23 0.00 0.00 174.94 174.58 2gcf s ASN 6 N 1.65 5.87 0.25 3.58 4.22 -1.26 -0.80 114.94 128.45 2gcf s ASN 6 Ca 0.15 0.27 -0.20 0.00 -2.14 0.00 0.00 52.86 50.94 2gcf s ASN 6 Cb -0.16 -1.87 0.07 0.00 1.28 0.00 0.00 41.25 40.57 2gcf s ASN 6 CO 0.10 0.34 0.94 -1.48 -2.04 0.00 0.00 177.10 174.96 2gcf s LEU 7 N -0.60 -0.01 0.45 3.54 2.34 -0.65 -4.90 118.68 118.85 2gcf s LEU 7 Ca 0.11 -0.81 0.08 0.00 0.06 0.00 0.00 54.13 53.58 2gcf s LEU 7 Cb -0.12 2.36 0.03 0.00 -0.56 0.00 0.00 46.19 47.90 2gcf s LEU 7 CO 0.02 -1.22 0.62 -1.10 -1.06 0.00 0.00 176.35 173.61 2gcf s GLN 8 N -2.34 2.71 -0.30 1.48 -0.21 -0.31 -0.38 119.66 120.32 2gcf s GLN 8 Ca 0.19 -1.32 -0.03 0.00 0.02 0.00 0.00 55.36 54.22 2gcf s GLN 8 Cb -0.03 -2.73 0.11 0.00 1.00 0.00 0.00 33.01 31.35 2gcf s GLN 8 CO 0.07 -0.40 0.15 -1.17 -2.12 0.00 0.00 175.29 171.82 2gcf s LEU 9 N -4.42 0.59 0.27 2.90 0.20 0.30 -0.72 118.68 117.80 2gcf s LEU 9 Ca 0.56 -1.46 0.05 0.00 0.69 0.00 0.00 54.13 53.98 2gcf s LEU 9 Cb -0.09 -0.32 -0.02 0.00 -0.43 0.00 0.00 46.19 45.32 2gcf s LEU 9 CO 0.34 -0.41 0.39 -1.83 -0.29 0.00 0.00 176.35 174.55 2gcf s GLU 10 N 1.89 3.34 0.00 1.98 -1.05 -0.38 -4.08 118.70 120.41 2gcf s GLU 10 Ca 0.11 -0.84 0.00 0.00 -0.15 0.00 0.00 54.97 54.09 2gcf s GLU 10 Cb -0.17 -2.87 0.00 0.00 -0.44 0.00 0.00 34.13 30.65 2gcf s GLU 10 CO -0.29 0.33 0.00 0.41 0.95 0.00 0.00 175.26 176.66 2gcf n GLY 11 N -1.47 2.85 3.71 -3.83 0.00 -1.26 -0.14 105.19 105.04 2gcf n GLY 11 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.99 1.84 0.00 1.61 0.00 -1.26 -4.81 117.12 112.51 2gcf n MET 12 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 57.70 58.36 2gcf n MET 12 Cb 0.00 -2.43 0.00 0.00 0.00 0.00 0.00 33.22 30.79 2gcf n MET 12 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 2gcf n ARG 13 N -0.28 0.00 -2.58 3.17 0.63 -1.26 -5.15 116.66 111.18 2gcf n ARG 13 Ca 0.08 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 57.00 2gcf n ARG 13 Cb 0.41 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.33 2gcf n ARG 13 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2gcf n ALA 15 N -2.00 -2.23 0.44 0.00 0.00 -1.26 -4.46 120.51 111.00 2gcf n ALA 15 Ca -0.06 0.39 0.05 0.00 0.00 0.00 0.00 53.44 53.82 2gcf n ALA 15 Cb 0.27 -0.84 0.25 0.00 0.00 0.00 0.00 19.45 19.13 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 -2.77 1.57 -0.14 0.00 0.00 -1.26 -3.90 120.51 114.01 2gcf n ALA 16 Ca -0.02 -0.04 0.27 0.00 0.00 0.00 0.00 53.44 53.65 2gcf n ALA 16 Cb 0.40 -1.18 0.72 0.00 0.00 0.00 0.00 19.45 19.39 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 1.53 -0.94 0.00 0.00 0.00 -1.83 -2.67 119.26 115.36 2gcf h ALA 18 Ca 0.39 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2gcf h ALA 18 Cb 1.64 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.48 2gcf h ALA 18 CO -0.00 -0.93 0.00 0.43 0.00 0.00 0.00 179.25 178.75 2gcf n SER 19 N -2.41 0.04 0.30 0.00 7.64 -1.23 -1.32 113.62 116.63 2gcf n SER 19 Ca -0.02 0.51 0.19 0.00 1.01 0.00 0.00 58.87 60.57 2gcf n SER 19 Cb 0.06 -0.52 0.93 0.00 -1.01 0.00 0.00 64.21 63.66 2gcf n SER 19 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2gcf h SER 20 N 0.00 0.00 0.44 6.43 0.87 -1.30 -0.45 113.55 119.54 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 0.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2gcf h SER 20 CO 0.00 0.00 -0.21 0.40 -0.53 0.00 0.00 176.83 176.49 2gcf h ILE 21 N 0.00 0.00 -0.54 2.23 2.04 -0.86 -3.01 117.51 117.37 2gcf h ILE 21 Ca 0.00 -0.22 0.11 0.00 1.00 0.00 0.00 64.86 65.74 2gcf h ILE 21 Cb 0.25 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.23 2gcf h ILE 21 CO 0.00 0.00 -0.13 -0.33 0.00 0.00 0.00 178.15 177.69 2gcf h GLU 22 N -0.82 0.01 0.00 2.37 5.08 -1.61 0.52 114.58 120.13 2gcf h GLU 22 Ca -0.06 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2gcf h GLU 22 Cb 0.45 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 2gcf h GLU 22 CO 0.10 0.00 -0.09 -0.09 -1.00 0.00 0.00 179.01 177.93 2gcf h ARG 23 N 0.01 0.00 0.08 2.33 2.43 -1.23 -2.29 114.38 115.72 2gcf h ARG 23 Ca 0.26 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 59.09 2gcf h ARG 23 Cb 0.40 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 2gcf h ARG 23 CO -0.55 0.09 -1.86 0.00 -1.51 0.00 0.00 179.97 176.14 2gcf n ALA 24 N -2.28 0.90 0.05 2.80 0.00 -0.08 -4.20 120.51 117.69 2gcf n ALA 24 Ca -0.02 -0.61 0.08 0.00 0.00 0.00 0.00 53.44 52.89 2gcf n ALA 24 Cb 0.20 -0.60 0.51 0.00 0.00 0.00 0.00 19.45 19.57 2gcf n ALA 24 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2gcf h ILE 25 N -0.23 1.01 0.00 0.00 2.04 -0.90 -0.90 117.51 118.53 2gcf h ILE 25 Ca -0.42 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.32 2gcf h ILE 25 Cb 1.83 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 2gcf h ILE 25 CO -0.01 0.06 0.20 0.00 0.00 0.00 0.00 178.15 178.40 2gcf n ALA 26 N -2.51 0.56 0.11 1.87 0.00 -0.87 -0.02 120.51 119.65 2gcf n ALA 26 Ca 0.03 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.59 2gcf n ALA 26 Cb 0.17 -0.52 -0.12 0.00 0.00 0.00 0.00 19.45 18.98 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 -1.17 0.59 -2.28 0.00 4.01 -0.34 -4.97 118.16 113.99 2gcf n LYS 27 Ca 0.00 -0.11 -0.42 0.00 -0.51 0.00 0.00 58.31 57.27 2gcf n LYS 27 Cb 0.20 -1.59 -0.03 0.00 -0.51 0.00 0.00 35.03 33.10 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 -3.44 3.75 0.01 -0.18 1.01 0.96 -4.92 120.40 117.60 2gcf s VAL 28 Ca -0.05 1.20 0.30 0.00 0.00 0.00 0.00 61.98 63.43 2gcf s VAL 28 Cb 0.13 -3.77 0.31 0.00 0.00 0.00 0.00 36.38 33.06 2gcf s VAL 28 CO 0.88 0.04 1.91 1.55 0.00 0.00 0.00 175.10 179.48 2gcf h PRO 29 N 7.30 0.00 -0.12 2.72 0.13 -1.86 -1.75 132.00 138.42 2gcf h PRO 29 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2gcf h PRO 29 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2gcf h PRO 29 CO 0.87 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.05 2gcf n GLY 30 N -0.73 0.39 3.56 1.56 0.00 -1.24 -4.84 105.19 103.88 2gcf n GLY 30 Ca -0.01 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.85 3.34 -0.60 1.61 0.11 -0.66 -3.26 120.40 119.09 2gcf s VAL 31 Ca 0.35 -0.29 0.24 0.00 -2.93 0.00 0.00 61.98 59.35 2gcf s VAL 31 Cb 0.19 -3.77 0.04 0.00 -1.53 0.00 0.00 36.38 31.31 2gcf s VAL 31 CO 0.30 -0.72 1.29 0.06 -3.33 0.00 0.00 175.10 172.69 2gcf h GLN 32 N 11.60 0.00 -1.21 1.54 -0.00 -1.29 -3.48 115.11 122.28 2gcf h GLN 32 Ca 0.08 0.00 0.17 0.00 -0.00 0.00 0.00 58.65 58.90 2gcf h GLN 32 Cb 1.00 0.00 -0.29 0.00 -0.00 0.00 0.00 27.48 28.19 2gcf h GLN 32 CO 1.16 0.00 0.80 -1.12 -0.00 0.00 0.00 178.83 179.67 2gcf s SER 33 N -4.35 -0.15 0.39 0.06 0.01 -1.23 -4.99 113.70 103.44 2gcf s SER 33 Ca 0.05 0.23 0.08 0.00 1.31 0.00 0.00 55.95 57.62 2gcf s SER 33 Cb 0.13 0.22 -0.06 0.00 0.21 0.00 0.00 66.02 66.52 2gcf s SER 33 CO 0.73 -0.09 0.09 0.00 0.41 0.00 0.00 173.24 174.39 2gcf n GLN 35 N -1.10 0.00 -4.01 0.00 6.02 -0.33 -4.92 117.38 113.04 2gcf n GLN 35 Ca -0.03 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.81 2gcf n GLN 35 Cb 0.64 0.00 -0.15 0.00 1.02 0.00 0.00 30.24 31.75 2gcf n GLN 35 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2gcf s VAL 36 N -1.11 0.24 -0.65 5.09 0.11 -1.26 -0.14 120.40 122.69 2gcf s VAL 36 Ca 0.00 -0.06 -0.17 0.00 -2.93 0.00 0.00 61.98 58.82 2gcf s VAL 36 Cb 0.00 -0.25 0.13 0.00 -1.53 0.00 0.00 36.38 34.73 2gcf s VAL 36 CO 0.00 0.10 0.69 0.21 -3.33 0.00 0.00 175.10 172.77 2gcf s ASN 37 N 0.36 6.33 -1.35 3.54 3.84 0.15 -4.98 114.94 122.83 2gcf s ASN 37 Ca -0.03 -1.82 -0.08 0.00 0.21 0.00 0.00 52.86 51.13 2gcf s ASN 37 Cb -0.06 -2.26 -0.08 0.00 -0.55 0.00 0.00 41.25 38.29 2gcf s ASN 37 CO -0.01 -0.94 2.70 0.33 -2.79 0.00 0.00 177.10 176.40 2gcf n PHE 38 N 5.59 2.00 0.01 0.43 7.35 -1.26 -2.42 117.46 129.16 2gcf n PHE 38 Ca -0.04 -2.67 0.00 0.00 -0.76 0.00 0.00 57.45 53.98 2gcf n PHE 38 Cb 0.43 -2.20 0.00 0.00 0.35 0.00 0.00 39.48 38.06 2gcf n PHE 38 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2gcf n ALA 39 N 3.75 0.00 -1.29 3.13 0.00 -1.26 -4.94 120.51 119.90 2gcf n ALA 39 Ca 0.66 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.98 2gcf n ALA 39 Cb 0.22 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.87 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 -2.45 5.46 0.00 0.00 7.94 -1.18 -4.98 117.00 121.79 2gcf n LEU 40 Ca 0.00 -3.61 0.00 0.00 -1.11 0.00 0.00 56.01 51.29 2gcf n LEU 40 Cb 0.00 -0.73 0.00 0.00 0.53 0.00 0.00 43.42 43.22 2gcf n LEU 40 CO 0.00 1.09 0.00 -0.62 -1.11 0.00 0.00 177.39 176.75 2gcf n GLU 41 N -1.00 0.00 -1.36 1.96 1.02 -1.01 -4.95 120.64 115.30 2gcf n GLU 41 Ca 0.45 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 57.28 2gcf n GLU 41 Cb 1.35 -3.30 0.08 0.00 -0.02 0.00 0.00 31.44 29.55 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 0.00 2.46 0.13 3.49 -2.07 -1.24 -0.54 119.66 121.90 2gcf s GLN 42 Ca 0.00 1.09 0.03 0.00 -1.82 0.00 0.00 55.36 54.66 2gcf s GLN 42 Cb 0.00 -1.93 -0.04 0.00 -1.09 0.00 0.00 33.01 29.95 2gcf s GLN 42 CO 0.00 -1.48 -0.06 0.00 -1.32 0.00 0.00 175.29 172.43 2gcf s ALA 43 N -2.95 1.20 -0.05 2.60 0.00 0.49 -0.67 121.76 122.38 2gcf s ALA 43 Ca 0.60 -1.44 -0.02 0.00 0.00 0.00 0.00 51.96 51.10 2gcf s ALA 43 Cb -0.16 0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.19 2gcf s ALA 43 CO 0.56 -0.21 0.08 0.54 0.00 0.00 0.00 175.76 176.73 2gcf s VAL 44 N -3.54 -0.13 -0.11 0.00 0.11 0.80 -1.64 120.40 115.89 2gcf s VAL 44 Ca 0.16 0.40 -0.05 0.00 -2.93 0.00 0.00 61.98 59.56 2gcf s VAL 44 Cb 0.05 -0.17 0.05 0.00 -1.53 0.00 0.00 36.38 34.77 2gcf s VAL 44 CO -0.01 0.17 0.24 -0.69 -3.33 0.00 0.00 175.10 171.48 2gcf s VAL 45 N 2.12 -0.12 -0.55 2.04 1.01 0.02 -1.18 120.40 123.75 2gcf s VAL 45 Ca 0.04 0.18 -0.10 0.00 0.00 0.00 0.00 61.98 62.10 2gcf s VAL 45 Cb -0.12 -0.39 0.14 0.00 0.00 0.00 0.00 36.38 36.01 2gcf s VAL 45 CO -0.04 0.07 0.44 -0.55 0.00 0.00 0.00 175.10 175.03 2gcf s SER 46 N 1.50 5.87 0.00 3.32 0.15 -0.79 -0.68 113.70 123.07 2gcf s SER 46 Ca -0.07 -2.11 0.13 0.00 0.70 0.00 0.00 55.95 54.60 2gcf s SER 46 Cb -0.11 -2.05 0.18 0.00 -1.71 0.00 0.00 66.02 62.33 2gcf s SER 46 CO -0.08 -0.67 1.03 0.00 1.20 0.00 0.00 173.24 174.72 2gcf n TYR 47 N 4.67 0.16 -3.09 3.44 0.18 -1.24 -0.78 117.16 120.50 2gcf n TYR 47 Ca -0.04 -0.14 -0.41 0.00 1.88 0.00 0.00 57.90 59.18 2gcf n TYR 47 Cb 0.41 -0.01 -0.06 0.00 -0.38 0.00 0.00 39.34 39.30 2gcf n TYR 47 CO 0.00 0.00 0.00 -1.01 -2.08 0.00 0.00 176.86 173.77 2gcf s HIS 48 N -1.08 3.21 -0.35 -3.48 3.76 -1.20 -3.71 115.29 112.44 2gcf s HIS 48 Ca 0.19 0.60 0.23 0.00 -0.15 0.00 0.00 55.06 55.93 2gcf s HIS 48 Cb 0.12 -3.03 0.01 0.00 1.11 0.00 0.00 32.58 30.79 2gcf s HIS 48 CO 0.17 -0.50 1.00 0.41 -0.85 0.00 0.00 174.74 174.98 2gcf n GLY 49 N 4.41 -1.34 0.00 -2.22 0.00 -1.26 -4.66 105.19 100.12 2gcf n GLY 49 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2gcf n GLY 49 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2gcf n GLU 50 N -2.38 0.00 -0.71 1.61 2.13 -1.26 -4.87 120.64 115.15 2gcf n GLU 50 Ca 0.00 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.65 2gcf n GLU 50 Cb 0.51 0.00 0.14 0.00 0.27 0.00 0.00 31.44 32.36 2gcf n GLU 50 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2gcf n THR 51 N 0.00 0.00 -3.64 6.31 -2.24 -1.26 -5.09 114.28 108.36 2gcf n THR 51 Ca 0.00 -0.34 -0.05 0.00 -2.27 0.00 0.00 64.05 61.38 2gcf n THR 51 Cb 0.00 -1.27 -0.07 0.00 -2.10 0.00 0.00 70.33 66.89 2gcf n THR 51 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2gcf s THR 52 N -2.26 0.00 0.00 4.28 2.01 -1.26 -4.91 115.64 113.50 2gcf s THR 52 Ca 0.41 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.41 2gcf s THR 52 Cb -0.03 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.48 2gcf s THR 52 CO 0.31 0.00 0.00 -0.81 -0.69 0.00 0.00 174.62 173.43 2gcf n PRO 53 N 2.78 3.43 0.00 4.92 -0.04 -1.26 -4.89 135.00 139.94 2gcf n PRO 53 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 2gcf n PRO 53 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 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 0.00 -0.21 0.54 7.27 -1.26 -3.89 117.38 119.83 2gcf n GLN 54 Ca 0.00 0.25 0.29 0.00 0.07 0.00 0.00 57.00 57.61 2gcf n GLN 54 Cb 0.00 -1.51 0.72 0.00 2.41 0.00 0.00 30.24 31.86 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 0.53 -0.00 1.69 2.04 -1.97 -0.86 117.51 118.94 2gcf h ILE 55 Ca 0.00 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2gcf h ILE 55 Cb 0.02 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 2gcf h ILE 55 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 178.15 178.32 2gcf h LEU 56 N 0.02 0.00 0.00 1.44 8.10 -1.95 -2.12 115.31 120.80 2gcf h LEU 56 Ca 0.45 0.00 -0.32 0.00 0.11 0.00 0.00 57.88 58.12 2gcf h LEU 56 Cb 1.77 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 41.93 2gcf h LEU 56 CO -0.02 0.00 -2.21 1.07 -4.11 0.00 0.00 178.44 173.17 2gcf n THR 57 N -4.02 1.21 -0.29 0.15 5.66 -0.41 -4.65 114.28 111.93 2gcf n THR 57 Ca -0.03 -0.59 0.12 0.00 -3.05 0.00 0.00 64.05 60.50 2gcf n THR 57 Cb 0.08 -0.95 0.29 0.00 -1.55 0.00 0.00 70.33 68.20 2gcf n THR 57 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 2gcf h ASP 58 N 0.00 0.17 0.66 1.09 3.58 -1.08 0.53 116.42 121.36 2gcf h ASP 58 Ca -0.48 0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.14 2gcf h ASP 58 Cb 1.89 0.19 0.00 0.00 1.72 0.00 0.00 39.33 43.13 2gcf h ASP 58 CO -0.03 -0.07 0.00 0.00 -2.88 0.00 0.00 179.24 176.26 2gcf n ALA 59 N -2.59 1.81 -0.07 -0.78 0.00 -0.82 -0.51 120.51 117.56 2gcf n ALA 59 Ca 0.21 -0.04 -0.08 0.00 0.00 0.00 0.00 53.44 53.52 2gcf n ALA 59 Cb 0.64 -1.31 -0.15 0.00 0.00 0.00 0.00 19.45 18.64 2gcf n ALA 59 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2gcf n VAL 60 N -1.62 1.38 0.18 0.00 0.24 0.06 -4.41 118.33 114.16 2gcf n VAL 60 Ca 0.04 -0.82 0.03 0.00 -2.04 0.00 0.00 64.34 61.55 2gcf n VAL 60 Cb 0.22 -0.61 0.33 0.00 -1.47 0.00 0.00 33.84 32.31 2gcf n VAL 60 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2gcf h GLU 61 N 0.00 0.00 -1.00 7.34 5.08 -0.48 -1.01 114.58 124.51 2gcf h GLU 61 Ca -0.44 0.00 0.29 0.00 -1.00 0.00 0.00 59.36 58.21 2gcf h GLU 61 Cb 2.11 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 31.32 2gcf h GLU 61 CO 0.04 0.42 1.20 -2.13 -1.00 0.00 0.00 179.01 177.54 2gcf n ARG 62 N -3.81 0.01 0.00 2.33 0.00 0.34 -0.69 116.66 114.84 2gcf n ARG 62 Ca -0.01 1.00 0.07 0.00 -0.00 0.00 0.00 57.85 58.90 2gcf n ARG 62 Cb 0.48 -2.49 -0.03 0.00 0.00 0.00 0.00 32.46 30.42 2gcf n ARG 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2gcf n ALA 63 N -2.21 3.30 -0.07 5.13 0.00 -0.45 -4.97 120.51 121.24 2gcf n ALA 63 Ca 0.22 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2gcf n ALA 63 Cb 1.50 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 20.46 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 1.15 0.89 1.02 0.00 0.00 0.13 -4.99 105.19 103.39 2gcf n GLY 64 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.01 2gcf n GLY 64 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2gcf n TYR 65 N -2.00 -3.09 -3.73 1.61 4.01 -0.80 -4.85 117.16 108.31 2gcf n TYR 65 Ca 0.00 -0.50 -0.11 0.00 -0.16 0.00 0.00 57.90 57.13 2gcf n TYR 65 Cb 0.00 -0.17 -0.07 0.00 -0.31 0.00 0.00 39.34 38.79 2gcf n TYR 65 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 2gcf s HIS 66 N -0.36 -0.12 -0.85 -0.72 3.76 0.80 -3.08 115.29 114.72 2gcf s HIS 66 Ca 0.17 -0.04 -0.19 0.00 -0.15 0.00 0.00 55.06 54.85 2gcf s HIS 66 Cb -0.01 0.13 0.13 0.00 1.11 0.00 0.00 32.58 33.94 2gcf s HIS 66 CO 0.11 -0.55 1.01 0.00 -0.85 0.00 0.00 174.74 174.47 2gcf s ALA 67 N -2.82 3.44 -0.60 -1.40 0.00 -1.26 -1.25 121.76 117.88 2gcf s ALA 67 Ca -0.03 -2.68 -0.28 0.00 0.00 0.00 0.00 51.96 48.97 2gcf s ALA 67 Cb 0.00 -3.90 0.03 0.00 0.00 0.00 0.00 23.12 19.25 2gcf s ALA 67 CO -0.05 -2.79 1.23 0.50 0.00 0.00 0.00 175.76 174.65 2gcf s ARG 68 N 2.50 3.45 -0.25 0.00 6.06 0.10 -4.96 118.95 125.84 2gcf s ARG 68 Ca 0.27 0.21 -0.28 0.00 -2.50 0.00 0.00 55.73 53.43 2gcf s ARG 68 Cb -0.09 -4.05 -0.03 0.00 0.06 0.00 0.00 34.95 30.84 2gcf s ARG 68 CO -0.05 -1.78 1.89 0.14 -2.50 0.00 0.00 175.30 173.00 2gcf s VAL 69 N 5.20 3.36 -0.07 7.11 -7.23 -1.26 -1.16 120.40 126.33 2gcf s VAL 69 Ca 0.43 0.37 -0.12 0.00 -1.81 0.00 0.00 61.98 60.86 2gcf s VAL 69 Cb -0.08 -3.44 -0.05 0.00 0.56 0.00 0.00 36.38 33.37 2gcf s VAL 69 CO 0.24 -0.25 0.29 -1.48 -0.31 0.00 0.00 175.10 173.59 2gcf s LEU 70 N 6.83 4.41 0.06 1.32 0.05 -1.26 -4.97 118.68 125.11 2gcf s LEU 70 Ca 0.85 0.70 -0.27 0.00 0.05 0.00 0.00 54.13 55.46 2gcf s LEU 70 Cb -0.27 -2.35 0.09 0.00 -2.05 0.00 0.00 46.19 41.60 2gcf s LEU 70 CO 0.34 0.32 0.95 -0.75 -0.55 0.00 0.00 176.35 176.66 2gcf s LYS 71 N -0.82 0.95 0.00 1.48 2.20 -1.26 -5.04 119.74 117.25 2gcf s LYS 71 Ca 0.19 -0.45 0.00 0.00 -0.36 0.00 0.00 55.97 55.35 2gcf s LYS 71 Cb -0.14 0.37 0.00 0.00 -1.51 0.00 0.00 37.83 36.55 2gcf s LYS 71 CO 0.08 -0.43 0.00 0.94 -0.36 0.00 0.00 175.35 175.59 2gcf n GLN 72 N -0.35 0.00 0.00 4.03 7.27 -1.26 -5.27 117.38 121.80 2gcf n GLN 72 Ca -0.07 0.00 0.16 0.00 0.07 0.00 0.00 57.00 57.15 2gcf n GLN 72 Cb 0.61 0.00 0.89 0.00 2.41 0.00 0.00 30.24 34.15 2gcf n GLN 72 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13