#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 -0.48 -2.07 3.04 0.00 -1.26 -4.89 120.51 114.84 2gcf n ALA 2 Ca 0.00 0.24 -0.33 0.00 0.00 0.00 0.00 53.44 53.35 2gcf n ALA 2 Cb 0.00 -2.05 -0.04 0.00 0.00 0.00 0.00 19.45 17.35 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 -4.40 2.63 0.04 0.00 0.00 -1.26 -4.97 119.66 111.71 2gcf s GLN 3 Ca 0.00 0.08 -0.12 0.00 -0.00 0.00 0.00 55.36 55.32 2gcf s GLN 3 Cb 0.00 -4.75 -0.06 0.00 0.00 0.00 0.00 33.01 28.20 2gcf s GLN 3 CO 0.00 -3.03 0.41 -0.08 0.00 0.00 0.00 175.29 172.59 2gcf s THR 4 N 9.39 5.05 -0.22 3.63 -1.32 -1.26 -4.50 115.64 126.41 2gcf s THR 4 Ca 0.67 0.66 -0.10 0.00 -1.21 0.00 0.00 61.69 61.71 2gcf s THR 4 Cb -0.09 -3.68 -0.05 0.00 -1.51 0.00 0.00 72.50 67.17 2gcf s THR 4 CO 0.09 0.43 0.14 -0.63 -2.21 0.00 0.00 174.62 172.43 2gcf s ILE 5 N -1.25 5.37 -0.14 5.08 -1.09 -0.43 -4.92 121.20 123.82 2gcf s ILE 5 Ca 0.29 0.18 -0.02 0.00 -2.23 0.00 0.00 60.65 58.86 2gcf s ILE 5 Cb -0.15 -3.47 -0.02 0.00 -1.58 0.00 0.00 42.46 37.23 2gcf s ILE 5 CO 0.16 0.40 -0.07 0.54 -1.23 0.00 0.00 174.94 174.74 2gcf s ASN 6 N 0.65 4.51 0.35 3.58 2.20 -1.26 -0.50 114.94 124.48 2gcf s ASN 6 Ca 0.08 -0.19 -0.07 0.00 -0.94 0.00 0.00 52.86 51.74 2gcf s ASN 6 Cb -0.12 -1.69 0.02 0.00 -2.00 0.00 0.00 41.25 37.46 2gcf s ASN 6 CO 0.01 0.18 0.58 -1.48 -2.94 0.00 0.00 177.10 173.44 2gcf s LEU 7 N 0.29 0.68 0.45 3.54 2.34 -0.45 -4.78 118.68 120.74 2gcf s LEU 7 Ca -0.06 -1.36 0.08 0.00 0.06 0.00 0.00 54.13 52.85 2gcf s LEU 7 Cb -0.15 1.91 0.02 0.00 -0.56 0.00 0.00 46.19 47.42 2gcf s LEU 7 CO 0.04 -1.42 0.61 -1.10 -1.06 0.00 0.00 176.35 173.42 2gcf s GLN 8 N -2.84 2.74 -0.16 1.48 -0.21 0.48 -0.52 119.66 120.63 2gcf s GLN 8 Ca 0.25 -1.31 -0.03 0.00 0.02 0.00 0.00 55.36 54.30 2gcf s GLN 8 Cb -0.02 -2.74 0.05 0.00 1.00 0.00 0.00 33.01 31.30 2gcf s GLN 8 CO 0.17 -0.37 0.04 -1.17 -2.12 0.00 0.00 175.29 171.84 2gcf s LEU 9 N -4.40 0.89 -1.38 2.90 2.96 -0.02 -0.72 118.68 118.90 2gcf s LEU 9 Ca 0.56 -0.61 -0.09 0.00 -0.22 0.00 0.00 54.13 53.78 2gcf s LEU 9 Cb -0.09 -0.49 -0.10 0.00 0.50 0.00 0.00 46.19 46.00 2gcf s LEU 9 CO 0.34 -0.29 2.94 -0.62 -1.32 0.00 0.00 176.35 177.41 2gcf n GLU 10 N 5.11 3.35 0.00 1.98 1.02 0.46 -3.72 120.64 128.85 2gcf n GLU 10 Ca -0.08 -1.99 0.00 0.00 -0.02 0.00 0.00 57.16 55.07 2gcf n GLU 10 Cb 0.48 -2.68 0.00 0.00 -0.02 0.00 0.00 31.44 29.23 2gcf n GLU 10 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2gcf n GLY 11 N 3.48 0.09 3.80 0.62 0.00 -1.26 -1.81 105.19 110.12 2gcf n GLY 11 Ca 0.71 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.37 2gcf n GLY 11 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2gcf s MET 12 N 0.00 4.40 0.10 1.61 0.23 -1.24 -4.03 119.30 120.36 2gcf s MET 12 Ca 0.00 1.05 -0.26 0.00 -1.03 0.00 0.00 55.69 55.45 2gcf s MET 12 Cb 0.00 -2.92 0.09 0.00 -1.53 0.00 0.00 34.83 30.47 2gcf s MET 12 CO 0.00 0.39 1.13 0.50 -2.03 0.00 0.00 175.02 175.01 2gcf s ARG 13 N -1.87 0.90 0.00 3.16 6.06 -1.26 -5.06 118.95 120.88 2gcf s ARG 13 Ca 0.44 -0.56 -0.03 0.00 -2.50 0.00 0.00 55.73 53.08 2gcf s ARG 13 Cb -0.18 0.27 -0.12 0.00 0.06 0.00 0.00 34.95 34.97 2gcf s ARG 13 CO 0.23 -0.42 2.23 0.00 -2.50 0.00 0.00 175.30 174.84 2gcf s ALA 15 N 1.22 -1.53 -1.80 0.00 0.00 -1.26 -5.06 121.76 113.33 2gcf s ALA 15 Ca 0.30 -0.09 0.08 0.00 0.00 0.00 0.00 51.96 52.25 2gcf s ALA 15 Cb 0.14 0.69 0.48 0.00 0.00 0.00 0.00 23.12 24.43 2gcf s ALA 15 CO 0.00 -1.04 1.02 0.00 0.00 0.00 0.00 175.76 175.74 2gcf n ALA 16 N -0.53 1.73 -0.03 0.00 0.00 -1.26 -4.53 120.51 115.89 2gcf n ALA 16 Ca -0.05 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2gcf n ALA 16 Cb 0.60 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.91 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 -0.19 0.55 0.00 0.00 0.00 -1.80 0.95 119.26 118.78 2gcf h ALA 18 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2gcf h ALA 18 Cb 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2gcf h ALA 18 CO 0.00 -0.03 -0.20 1.03 0.00 0.00 0.00 179.25 180.05 2gcf h SER 19 N 0.55 0.00 1.16 0.00 0.87 -1.85 -1.14 113.55 113.15 2gcf h SER 19 Ca 0.17 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.64 2gcf h SER 19 Cb -0.03 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 2gcf h SER 19 CO -0.06 0.20 -0.40 -1.28 -0.53 0.00 0.00 176.83 174.75 2gcf h SER 20 N 0.00 0.00 0.11 6.23 0.87 -0.39 -2.35 113.55 118.03 2gcf h SER 20 Ca -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2gcf h SER 20 Cb 0.81 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 2gcf h SER 20 CO 0.03 0.40 -0.05 0.40 -0.53 0.00 0.00 176.83 177.08 2gcf h ILE 21 N 0.00 1.07 -0.67 2.23 2.04 -0.20 -0.50 117.51 121.47 2gcf h ILE 21 Ca -0.00 -1.21 0.14 0.00 1.00 0.00 0.00 64.86 64.78 2gcf h ILE 21 Cb 1.09 1.77 -0.10 0.00 -0.74 0.00 0.00 36.82 38.84 2gcf h ILE 21 CO 0.05 0.27 0.11 -0.33 0.00 0.00 0.00 178.15 178.25 2gcf h GLU 22 N -0.77 0.21 0.00 2.37 4.39 -1.30 0.17 114.58 119.65 2gcf h GLU 22 Ca -0.02 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2gcf h GLU 22 Cb 0.56 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2gcf h GLU 22 CO 0.03 0.14 0.00 -0.09 -1.16 0.00 0.00 179.01 177.92 2gcf h ARG 23 N 0.22 0.00 0.01 2.33 2.43 -1.47 -0.87 114.38 117.02 2gcf h ARG 23 Ca 0.36 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.38 2gcf h ARG 23 Cb 0.59 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.15 2gcf h ARG 23 CO -0.49 0.00 -0.61 0.00 -1.51 0.00 0.00 179.97 177.36 2gcf h ALA 24 N 2.04 0.06 -0.62 2.80 0.00 0.79 -3.35 119.26 120.98 2gcf h ALA 24 Ca 0.00 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 2gcf h ALA 24 Cb 0.60 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2gcf h ALA 24 CO 0.00 0.34 0.37 0.82 0.00 0.00 0.00 179.25 180.78 2gcf h ILE 25 N -0.14 1.18 0.00 0.00 2.04 -0.53 -3.26 117.51 116.80 2gcf h ILE 25 Ca -0.08 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.36 2gcf h ILE 25 Cb 1.33 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 2gcf h ILE 25 CO 0.12 0.19 0.34 0.00 0.00 0.00 0.00 178.15 178.80 2gcf h ALA 26 N 1.18 1.25 0.00 1.87 0.00 -1.30 0.15 119.26 122.42 2gcf h ALA 26 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2gcf h ALA 26 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2gcf h ALA 26 CO -0.04 -0.25 -0.56 1.63 0.00 0.00 0.00 179.25 180.03 2gcf n LYS 27 N -2.23 0.12 -2.19 0.00 4.01 -1.23 -4.94 118.16 111.71 2gcf n LYS 27 Ca -0.01 0.03 -0.42 0.00 -0.51 0.00 0.00 58.31 57.40 2gcf n LYS 27 Cb 0.36 -1.57 -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 0.54 -1.11 0.00 0.00 177.40 176.83 2gcf s VAL 28 N -3.07 3.45 -0.38 -0.18 0.11 0.54 -4.90 120.40 115.96 2gcf s VAL 28 Ca 0.09 0.99 0.22 0.00 -2.93 0.00 0.00 61.98 60.34 2gcf s VAL 28 Cb 0.16 -3.63 0.22 0.00 -1.53 0.00 0.00 36.38 31.60 2gcf s VAL 28 CO 0.71 0.05 1.67 -0.81 -3.33 0.00 0.00 175.10 173.38 2gcf n PRO 29 N 4.46 0.16 0.13 1.54 -0.04 -1.26 -1.90 135.00 138.10 2gcf n PRO 29 Ca 0.12 0.51 0.12 0.00 -0.04 0.00 0.00 63.50 64.22 2gcf n PRO 29 Cb 0.43 -1.89 0.17 0.00 -0.04 0.00 0.00 33.50 32.17 2gcf n PRO 29 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2gcf h GLY 30 N 1.23 0.00 -6.82 0.55 0.00 -1.91 -3.47 103.07 92.66 2gcf h GLY 30 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 2gcf h GLY 30 CO 0.00 0.00 1.31 0.54 0.00 0.00 0.00 176.54 178.39 2gcf s VAL 31 N -3.22 3.39 -1.40 4.60 0.11 -0.80 -4.12 120.40 118.97 2gcf s VAL 31 Ca 0.06 0.41 0.19 0.00 -2.93 0.00 0.00 61.98 59.70 2gcf s VAL 31 Cb 0.09 -3.51 -0.09 0.00 -1.53 0.00 0.00 36.38 31.34 2gcf s VAL 31 CO 0.70 -0.32 0.90 0.00 -3.33 0.00 0.00 175.10 173.05 2gcf n GLN 32 N 8.42 1.22 0.00 1.54 -0.00 -0.03 -4.96 117.38 123.57 2gcf n GLN 32 Ca 0.24 -0.54 0.00 0.00 -0.00 0.00 0.00 57.00 56.70 2gcf n GLN 32 Cb 0.46 -1.38 0.00 0.00 -0.00 0.00 0.00 30.24 29.32 2gcf n GLN 32 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2gcf n SER 33 N -0.63 0.00 -4.61 2.61 7.64 -1.12 -4.96 113.62 112.55 2gcf n SER 33 Ca 0.06 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.69 2gcf n SER 33 Cb 0.36 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.47 2gcf n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2gcf n GLN 35 N -0.92 0.00 -3.99 0.00 6.02 -0.51 -4.95 117.38 113.04 2gcf n GLN 35 Ca -0.04 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.59 2gcf n GLN 35 Cb 0.63 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.82 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 0.00 5.23 -0.38 5.09 0.11 -1.26 -0.25 120.40 128.94 2gcf s VAL 36 Ca 0.00 0.05 -0.02 0.00 -2.93 0.00 0.00 61.98 59.08 2gcf s VAL 36 Cb 0.00 -3.29 0.10 0.00 -1.53 0.00 0.00 36.38 31.66 2gcf s VAL 36 CO 0.00 0.57 0.14 0.21 -3.33 0.00 0.00 175.10 172.70 2gcf s ASN 37 N -1.13 5.13 0.00 3.54 3.84 0.48 -4.99 114.94 121.82 2gcf s ASN 37 Ca 0.16 -1.87 0.00 0.00 0.21 0.00 0.00 52.86 51.36 2gcf s ASN 37 Cb -0.12 -1.79 0.00 0.00 -0.55 0.00 0.00 41.25 38.80 2gcf s ASN 37 CO 0.06 -0.46 0.83 0.33 -2.79 0.00 0.00 177.10 175.06 2gcf n PHE 38 N 4.57 0.00 0.00 0.43 7.35 -1.26 -1.99 117.46 126.55 2gcf n PHE 38 Ca -0.04 -0.38 0.00 0.00 -0.76 0.00 0.00 57.45 56.27 2gcf n PHE 38 Cb 0.42 -0.21 0.00 0.00 0.35 0.00 0.00 39.48 40.04 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 0.48 0.78 -1.56 3.13 0.00 -1.26 -4.89 120.51 117.18 2gcf n ALA 39 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 2gcf n ALA 39 Cb 0.41 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.98 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 -0.44 1.86 0.00 0.00 7.94 -1.19 -5.03 117.00 120.14 2gcf n LEU 40 Ca 0.00 -2.81 0.00 0.00 -1.11 0.00 0.00 56.01 52.09 2gcf n LEU 40 Cb 0.00 -0.33 0.00 0.00 0.53 0.00 0.00 43.42 43.62 2gcf n LEU 40 CO 0.00 0.80 0.00 -0.62 -1.11 0.00 0.00 177.39 176.46 2gcf n GLU 41 N -0.85 0.00 -1.66 1.96 1.02 -0.84 -4.96 120.64 115.31 2gcf n GLU 41 Ca 0.13 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.93 2gcf n GLU 41 Cb 0.73 -3.30 0.06 0.00 -0.02 0.00 0.00 31.44 28.91 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 2.61 -0.05 3.49 0.00 -1.24 -0.84 119.66 123.63 2gcf s GLN 42 Ca 0.00 1.48 0.05 0.00 -0.00 0.00 0.00 55.36 56.89 2gcf s GLN 42 Cb 0.00 -1.92 -0.00 0.00 0.00 0.00 0.00 33.01 31.09 2gcf s GLN 42 CO 0.00 -1.42 -0.18 0.00 0.00 0.00 0.00 175.29 173.69 2gcf s ALA 43 N -2.26 1.61 -0.18 2.60 0.00 0.32 -0.38 121.76 123.47 2gcf s ALA 43 Ca 0.69 -0.74 -0.02 0.00 0.00 0.00 0.00 51.96 51.89 2gcf s ALA 43 Cb -0.23 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.35 2gcf s ALA 43 CO 0.43 0.29 -0.07 0.54 0.00 0.00 0.00 175.76 176.95 2gcf s VAL 44 N 0.01 3.34 -0.11 0.00 0.11 0.65 -1.34 120.40 123.07 2gcf s VAL 44 Ca -0.04 -0.53 -0.05 0.00 -2.93 0.00 0.00 61.98 58.43 2gcf s VAL 44 Cb -0.12 -2.47 0.05 0.00 -1.53 0.00 0.00 36.38 32.32 2gcf s VAL 44 CO 0.02 0.47 0.24 -0.69 -3.33 0.00 0.00 175.10 171.81 2gcf s VAL 45 N 0.87 -0.19 -0.37 2.04 1.01 0.35 -1.43 120.40 122.67 2gcf s VAL 45 Ca -0.02 0.22 -0.14 0.00 0.00 0.00 0.00 61.98 62.04 2gcf s VAL 45 Cb -0.15 -0.38 0.00 0.00 0.00 0.00 0.00 36.38 35.85 2gcf s VAL 45 CO 0.01 0.09 0.29 -0.55 0.00 0.00 0.00 175.10 174.94 2gcf s SER 46 N 1.76 6.10 -0.00 3.32 0.15 -0.47 -1.31 113.70 123.24 2gcf s SER 46 Ca -0.04 -0.61 0.00 0.00 0.70 0.00 0.00 55.95 56.00 2gcf s SER 46 Cb -0.11 -2.16 0.01 0.00 -1.71 0.00 0.00 66.02 62.05 2gcf s SER 46 CO -0.08 -0.36 0.77 0.00 1.20 0.00 0.00 173.24 174.77 2gcf n TYR 47 N 5.19 0.00 -2.59 3.44 4.11 -1.26 -0.85 117.16 125.21 2gcf n TYR 47 Ca -0.11 -0.03 -0.42 0.00 -0.00 0.00 0.00 57.90 57.34 2gcf n TYR 47 Cb 0.48 -0.03 0.01 0.00 -0.00 0.00 0.00 39.34 39.81 2gcf n TYR 47 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.86 177.58 2gcf n HIS 48 N -0.05 2.60 -0.13 -3.48 8.25 -1.26 -4.44 115.22 116.72 2gcf n HIS 48 Ca 0.00 -2.63 -0.24 0.00 -0.26 0.00 0.00 57.72 54.59 2gcf n HIS 48 Cb 0.60 -1.40 -0.11 0.00 1.12 0.00 0.00 29.99 30.19 2gcf n HIS 48 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2gcf n GLY 49 N 0.91 -0.40 0.00 -1.41 0.00 -1.26 -4.89 105.19 98.14 2gcf n GLY 49 Ca 0.44 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.76 0.00 -0.94 1.61 0.00 -1.26 -5.04 120.64 111.25 2gcf n GLU 50 Ca -0.50 0.00 -0.45 0.00 0.00 0.00 0.00 57.16 56.21 2gcf n GLU 50 Cb 0.93 0.00 -0.09 0.00 0.00 0.00 0.00 31.44 32.28 2gcf n GLU 50 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 2gcf n THR 51 N -0.10 0.00 -0.11 6.31 -2.24 -1.26 -4.18 114.28 112.71 2gcf n THR 51 Ca 0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 2gcf n THR 51 Cb 0.00 -0.37 -0.02 0.00 -2.10 0.00 0.00 70.33 67.84 2gcf n THR 51 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2gcf n THR 52 N 4.83 0.00 0.91 4.28 -1.04 -1.26 -4.74 114.28 117.26 2gcf n THR 52 Ca 0.41 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.38 2gcf n THR 52 Cb -0.03 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.50 2gcf n THR 52 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2gcf n PRO 53 N 0.40 1.17 0.06 -2.82 -0.04 -1.26 -3.13 135.00 129.39 2gcf n PRO 53 Ca 0.05 -0.14 0.04 0.00 -0.04 0.00 0.00 63.50 63.40 2gcf n PRO 53 Cb 0.01 -1.51 0.21 0.00 -0.04 0.00 0.00 33.50 32.17 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 0.05 0.05 -0.25 0.54 7.27 -1.26 -1.47 117.38 122.31 2gcf n GLN 54 Ca 0.01 0.52 0.31 0.00 0.07 0.00 0.00 57.00 57.92 2gcf n GLN 54 Cb 0.31 -1.71 0.54 0.00 2.41 0.00 0.00 30.24 31.79 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 0.06 0.00 1.69 2.04 -1.89 0.15 117.51 119.57 2gcf h ILE 55 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2gcf h ILE 55 Cb 0.09 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.27 2gcf h ILE 55 CO 0.00 0.00 0.15 0.17 0.00 0.00 0.00 178.15 178.47 2gcf h LEU 56 N 0.00 0.00 0.00 1.44 8.10 -1.60 0.21 115.31 123.46 2gcf h LEU 56 Ca 0.52 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.51 2gcf h LEU 56 Cb 2.79 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 43.01 2gcf h LEU 56 CO -0.01 0.00 -0.42 0.41 -4.11 0.00 0.00 178.44 174.31 2gcf n THR 57 N -2.55 0.95 -0.29 0.15 -1.04 0.04 -4.64 114.28 106.90 2gcf n THR 57 Ca -0.02 0.30 0.11 0.00 -2.04 0.00 0.00 64.05 62.40 2gcf n THR 57 Cb 0.19 -2.08 0.35 0.00 -1.82 0.00 0.00 70.33 66.97 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 -0.66 0.71 0.46 8.00 3.58 -1.43 0.11 116.42 127.19 2gcf h ASP 58 Ca 0.00 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.49 2gcf h ASP 58 Cb 0.42 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.37 2gcf h ASP 58 CO 0.00 0.36 0.00 0.00 -2.88 0.00 0.00 179.24 176.72 2gcf n ALA 59 N -2.42 1.95 -0.07 -0.78 0.00 0.02 -0.45 120.51 118.76 2gcf n ALA 59 Ca 0.18 -0.08 -0.16 0.00 0.00 0.00 0.00 53.44 53.38 2gcf n ALA 59 Cb 0.45 -1.30 -0.14 0.00 0.00 0.00 0.00 19.45 18.46 2gcf n ALA 59 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2gcf n VAL 60 N -1.37 1.57 0.25 0.00 0.31 0.29 -4.48 118.33 114.90 2gcf n VAL 60 Ca 0.07 -0.69 0.13 0.00 -0.01 0.00 0.00 64.34 63.85 2gcf n VAL 60 Cb 0.18 -1.25 0.58 0.00 -0.91 0.00 0.00 33.84 32.44 2gcf n VAL 60 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2gcf h GLU 61 N 0.02 0.00 -0.02 5.55 4.57 -0.27 -1.71 114.58 122.72 2gcf h GLU 61 Ca -0.49 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 57.70 2gcf h GLU 61 Cb 2.03 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.62 2gcf h GLU 61 CO 0.01 0.12 0.32 0.07 -1.18 0.00 0.00 179.01 178.35 2gcf h ARG 62 N 0.00 0.00 -0.02 1.92 -0.00 -0.98 0.14 114.38 115.43 2gcf h ARG 62 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2gcf h ARG 62 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.58 2gcf h ARG 62 CO 0.02 0.00 -0.24 0.00 -0.00 0.00 0.00 179.97 179.74 2gcf n ALA 63 N -1.92 3.01 -0.30 0.08 0.00 -0.68 -4.97 120.51 115.73 2gcf n ALA 63 Ca -0.02 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.81 2gcf n ALA 63 Cb 0.38 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.15 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 1.22 0.84 3.43 0.00 0.00 0.48 -5.07 105.19 106.09 2gcf n GLY 64 Ca 0.09 -0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.00 1.92 0.15 1.61 2.02 -0.98 -4.94 117.35 115.14 2gcf s TYR 65 Ca 0.00 -0.78 0.05 0.00 -0.37 0.00 0.00 57.07 55.97 2gcf s TYR 65 Cb 0.00 -1.15 -0.04 0.00 -0.40 0.00 0.00 41.96 40.37 2gcf s TYR 65 CO 0.00 0.18 -0.12 -1.01 -1.57 0.00 0.00 175.55 173.03 2gcf s HIS 66 N -3.12 1.37 0.10 2.71 3.76 -0.75 -1.78 115.29 117.58 2gcf s HIS 66 Ca 0.31 -0.66 -0.21 0.00 -0.15 0.00 0.00 55.06 54.35 2gcf s HIS 66 Cb 0.05 -0.69 -0.07 0.00 1.11 0.00 0.00 32.58 32.98 2gcf s HIS 66 CO 0.12 0.15 0.63 0.00 -0.85 0.00 0.00 174.74 174.79 2gcf s ALA 67 N -2.89 3.55 -0.10 -1.40 0.00 -1.26 -0.41 121.76 119.25 2gcf s ALA 67 Ca 0.15 0.14 -0.03 0.00 0.00 0.00 0.00 51.96 52.22 2gcf s ALA 67 Cb -0.00 -2.73 -0.03 0.00 0.00 0.00 0.00 23.12 20.35 2gcf s ALA 67 CO 0.02 0.37 0.02 0.50 0.00 0.00 0.00 175.76 176.67 2gcf s ARG 68 N -1.12 3.15 -0.31 0.00 6.06 0.10 -4.70 118.95 122.14 2gcf s ARG 68 Ca 0.31 -0.38 -0.19 0.00 -2.50 0.00 0.00 55.73 52.97 2gcf s ARG 68 Cb -0.21 -2.88 -0.01 0.00 0.06 0.00 0.00 34.95 31.91 2gcf s ARG 68 CO 0.21 0.65 0.59 0.14 -2.50 0.00 0.00 175.30 174.39 2gcf s VAL 69 N -0.73 4.97 -1.22 7.11 -7.23 -1.26 -0.38 120.40 121.66 2gcf s VAL 69 Ca 0.12 0.76 -0.19 0.00 -1.81 0.00 0.00 61.98 60.86 2gcf s VAL 69 Cb -0.12 -3.96 0.07 0.00 0.56 0.00 0.00 36.38 32.93 2gcf s VAL 69 CO 0.02 -0.11 1.65 -1.48 -0.31 0.00 0.00 175.10 174.86 2gcf s LEU 70 N 2.52 3.79 -0.18 1.32 0.05 -1.26 -4.85 118.68 120.07 2gcf s LEU 70 Ca 0.23 -2.19 -0.10 0.00 0.05 0.00 0.00 54.13 52.13 2gcf s LEU 70 Cb -0.15 -2.57 0.06 0.00 -2.05 0.00 0.00 46.19 41.48 2gcf s LEU 70 CO 0.12 -1.25 0.43 -0.54 -0.55 0.00 0.00 176.35 174.55 2gcf s LYS 71 N 4.35 0.41 0.49 1.48 1.02 -1.26 -4.98 119.74 121.25 2gcf s LYS 71 Ca 0.51 0.81 0.08 0.00 0.02 0.00 0.00 55.97 57.39 2gcf s LYS 71 Cb 0.03 -0.01 0.03 0.00 -0.52 0.00 0.00 37.83 37.36 2gcf s LYS 71 CO 0.03 -0.16 0.55 -1.14 -0.92 0.00 0.00 175.35 173.71 2gcf s GLN 72 N 1.38 2.48 0.00 1.68 0.74 -1.26 -5.26 119.66 119.42 2gcf s GLN 72 Ca -0.09 -1.59 0.00 0.00 0.05 0.00 0.00 55.36 53.73 2gcf s GLN 72 Cb -0.08 -2.50 0.00 0.00 1.10 0.00 0.00 33.01 31.53 2gcf s GLN 72 CO -0.13 -0.49 0.00 1.04 -0.55 0.00 0.00 175.29 175.16