#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 -1.05 -3.02 3.04 0.00 -1.26 -4.81 120.51 113.41 2gcf n ALA 2 Ca 0.00 0.10 -0.43 0.00 0.00 0.00 0.00 53.44 53.10 2gcf n ALA 2 Cb 0.00 -2.79 0.01 0.00 0.00 0.00 0.00 19.45 16.67 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 -3.71 4.34 -3.87 0.00 -0.06 -1.26 -4.99 117.38 107.84 2gcf n GLN 3 Ca -0.03 -4.51 -0.35 0.00 -2.00 0.00 0.00 57.00 50.11 2gcf n GLN 3 Cb 0.55 -2.53 -0.05 0.00 -4.06 0.00 0.00 30.24 24.14 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 -2.50 5.45 -0.11 1.69 -1.32 -1.26 -3.91 115.64 113.68 2gcf s THR 4 Ca 0.31 0.08 0.03 0.00 -1.21 0.00 0.00 61.69 60.90 2gcf s THR 4 Cb 0.03 -3.48 -0.01 0.00 -1.51 0.00 0.00 72.50 67.54 2gcf s THR 4 CO 0.08 0.48 -0.20 -0.63 -2.21 0.00 0.00 174.62 172.14 2gcf s ILE 5 N -1.17 2.42 -0.11 5.08 1.09 -0.36 -4.95 121.20 123.20 2gcf s ILE 5 Ca 0.21 -0.89 0.02 0.00 -1.10 0.00 0.00 60.65 58.89 2gcf s ILE 5 Cb -0.12 -1.96 0.01 0.00 -1.06 0.00 0.00 42.46 39.33 2gcf s ILE 5 CO 0.11 0.55 -0.17 0.54 -0.10 0.00 0.00 174.94 175.87 2gcf s ASN 6 N 0.30 2.59 0.38 3.58 2.20 -1.26 -1.37 114.94 121.37 2gcf s ASN 6 Ca -0.15 -0.47 -0.11 0.00 -0.94 0.00 0.00 52.86 51.19 2gcf s ASN 6 Cb -0.17 -1.17 0.04 0.00 -2.00 0.00 0.00 41.25 37.95 2gcf s ASN 6 CO 0.07 0.03 0.70 -1.48 -2.94 0.00 0.00 177.10 173.49 2gcf s LEU 7 N 0.93 0.36 0.28 3.54 2.34 -0.64 -4.80 118.68 120.69 2gcf s LEU 7 Ca -0.07 -1.31 0.08 0.00 0.06 0.00 0.00 54.13 52.89 2gcf s LEU 7 Cb -0.15 2.42 -0.04 0.00 -0.56 0.00 0.00 46.19 47.87 2gcf s LEU 7 CO -0.01 -1.60 0.17 -1.10 -1.06 0.00 0.00 176.35 172.75 2gcf s GLN 8 N -2.40 2.71 -0.06 1.48 -0.21 -0.27 -1.08 119.66 119.82 2gcf s GLN 8 Ca 0.21 -1.22 0.01 0.00 0.02 0.00 0.00 55.36 54.38 2gcf s GLN 8 Cb -0.04 -2.43 0.02 0.00 1.00 0.00 0.00 33.01 31.56 2gcf s GLN 8 CO 0.15 0.30 -0.07 -1.17 -2.12 0.00 0.00 175.29 172.38 2gcf s LEU 9 N -3.84 1.39 0.11 2.90 2.96 0.12 -0.83 118.68 121.49 2gcf s LEU 9 Ca 0.35 -0.21 0.07 0.00 -0.22 0.00 0.00 54.13 54.12 2gcf s LEU 9 Cb -0.07 -0.63 -0.04 0.00 0.50 0.00 0.00 46.19 45.96 2gcf s LEU 9 CO 0.24 -0.04 -0.09 -0.70 -1.32 0.00 0.00 176.35 174.45 2gcf s GLU 10 N 0.95 2.18 0.00 1.98 2.12 0.92 -4.46 118.70 122.39 2gcf s GLU 10 Ca -0.10 -1.02 0.00 0.00 0.36 0.00 0.00 54.97 54.21 2gcf s GLU 10 Cb -0.15 -2.33 0.00 0.00 0.26 0.00 0.00 34.13 31.92 2gcf s GLU 10 CO 0.00 0.51 0.00 0.41 -0.54 0.00 0.00 175.26 175.64 2gcf n GLY 11 N 0.62 2.85 3.42 -1.50 0.00 -1.26 -0.87 105.19 108.46 2gcf n GLY 11 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 2gcf n GLY 11 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2gcf n MET 12 N -2.00 0.45 0.00 1.61 2.81 -1.26 -4.83 117.12 113.89 2gcf n MET 12 Ca 0.00 0.17 0.00 0.00 -1.81 0.00 0.00 57.70 56.06 2gcf n MET 12 Cb 0.00 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.01 2gcf n MET 12 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2gcf n ARG 13 N 0.47 0.00 -3.05 0.03 1.74 -1.26 -5.16 116.66 109.44 2gcf n ARG 13 Ca 0.11 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.15 2gcf n ARG 13 Cb 0.44 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.90 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 -1.36 -0.68 1.35 0.00 0.00 -1.26 -4.77 120.51 113.79 2gcf n ALA 15 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2gcf n ALA 15 Cb 0.41 -0.48 0.01 0.00 0.00 0.00 0.00 19.45 19.40 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 -1.23 2.18 -0.09 0.00 0.00 -1.26 -4.30 120.51 115.81 2gcf n ALA 16 Ca 0.00 -0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 2gcf n ALA 16 Cb 0.00 -1.01 0.40 0.00 0.00 0.00 0.00 19.45 18.84 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 1.68 -0.85 0.00 0.00 0.00 -1.91 -0.35 119.26 117.83 2gcf h ALA 18 Ca 0.23 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2gcf h ALA 18 Cb 0.11 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2gcf h ALA 18 CO -0.06 -0.92 0.00 0.43 0.00 0.00 0.00 179.25 178.70 2gcf n SER 19 N -5.41 0.64 0.24 0.00 7.64 -1.23 -0.78 113.62 114.72 2gcf n SER 19 Ca -0.13 0.65 0.12 0.00 1.01 0.00 0.00 58.87 60.52 2gcf n SER 19 Cb 0.36 -0.79 0.54 0.00 -1.01 0.00 0.00 64.21 63.31 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 0.43 6.43 0.87 -1.04 0.06 113.55 120.31 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 0.40 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2gcf h SER 20 CO 0.00 0.14 -0.21 0.40 -0.53 0.00 0.00 176.83 176.64 2gcf h ILE 21 N 0.00 0.47 -0.55 2.23 2.04 0.75 -2.91 117.51 119.54 2gcf h ILE 21 Ca -0.00 -0.48 0.10 0.00 1.00 0.00 0.00 64.86 65.48 2gcf h ILE 21 Cb 0.65 0.66 -0.08 0.00 -0.74 0.00 0.00 36.82 37.32 2gcf h ILE 21 CO 0.02 0.07 0.09 -0.33 0.00 0.00 0.00 178.15 178.01 2gcf h GLU 22 N -0.90 0.22 0.00 2.37 5.08 -1.32 0.20 114.58 120.22 2gcf h GLU 22 Ca -0.06 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2gcf h GLU 22 Cb 0.57 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 2gcf h GLU 22 CO 0.10 0.14 -0.06 -0.09 -1.00 0.00 0.00 179.01 178.10 2gcf h ARG 23 N 0.22 0.00 0.11 2.33 9.65 -1.09 0.84 114.38 126.45 2gcf h ARG 23 Ca 0.28 0.00 -0.23 0.00 -1.10 0.00 0.00 59.98 58.93 2gcf h ARG 23 Cb 0.41 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.99 2gcf h ARG 23 CO -0.38 0.06 -1.13 0.00 2.80 0.00 0.00 179.97 181.31 2gcf h ALA 24 N 1.94 0.08 -0.42 2.80 0.00 -0.79 -3.36 119.26 119.51 2gcf h ALA 24 Ca -0.00 -0.93 0.08 0.00 0.00 0.00 0.00 54.91 54.06 2gcf h ALA 24 Cb 0.20 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2gcf h ALA 24 CO 0.01 0.63 0.29 0.82 0.00 0.00 0.00 179.25 180.99 2gcf h ILE 25 N -0.40 0.90 0.00 0.00 2.04 -0.19 -2.00 117.51 117.85 2gcf h ILE 25 Ca -0.24 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.55 2gcf h ILE 25 Cb 1.66 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 2gcf h ILE 25 CO 0.07 0.04 0.42 0.00 0.00 0.00 0.00 178.15 178.69 2gcf h ALA 26 N 1.78 1.36 -0.02 1.87 0.00 -1.00 0.23 119.26 123.48 2gcf h ALA 26 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2gcf h ALA 26 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2gcf h ALA 26 CO -0.03 -0.36 -0.10 1.63 0.00 0.00 0.00 179.25 180.39 2gcf n LYS 27 N -2.38 1.35 -2.46 0.00 4.01 -0.75 -4.99 118.16 112.93 2gcf n LYS 27 Ca -0.01 -1.21 -0.41 0.00 -0.51 0.00 0.00 58.31 56.17 2gcf n LYS 27 Cb 0.45 -1.28 -0.04 0.00 -0.51 0.00 0.00 35.03 33.66 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 -1.44 3.69 -0.10 -0.18 1.01 0.80 -4.92 120.40 119.25 2gcf s VAL 28 Ca 0.16 1.50 -0.30 0.00 0.00 0.00 0.00 61.98 63.34 2gcf s VAL 28 Cb 0.13 -3.96 -0.08 0.00 0.00 0.00 0.00 36.38 32.47 2gcf s VAL 28 CO 0.25 0.28 2.08 -0.81 0.00 0.00 0.00 175.10 176.89 2gcf n PRO 29 N 2.11 2.31 -0.72 2.72 -0.04 -1.26 -0.95 135.00 139.17 2gcf n PRO 29 Ca 0.02 0.77 0.00 0.00 -0.04 0.00 0.00 63.50 64.25 2gcf n PRO 29 Cb 0.45 -3.02 0.00 0.00 -0.04 0.00 0.00 33.50 30.89 2gcf n PRO 29 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2gcf n GLY 30 N 5.14 0.60 3.63 0.55 0.00 -1.26 -1.40 105.19 112.44 2gcf n GLY 30 Ca 0.26 -0.38 -0.49 0.00 0.00 0.00 0.00 46.02 45.41 2gcf n GLY 30 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2gcf n VAL 31 N -2.72 0.45 0.01 1.61 3.14 -0.12 -2.63 118.33 118.08 2gcf n VAL 31 Ca 0.00 -0.17 0.02 0.00 -2.96 0.00 0.00 64.34 61.23 2gcf n VAL 31 Cb 0.00 -1.85 -0.03 0.00 -1.06 0.00 0.00 33.84 30.90 2gcf n VAL 31 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2gcf n GLN 32 N 7.10 0.62 0.00 1.45 -0.00 0.10 -4.94 117.38 121.71 2gcf n GLN 32 Ca 0.28 -0.03 0.00 0.00 -0.00 0.00 0.00 57.00 57.24 2gcf n GLN 32 Cb 0.28 -1.06 0.00 0.00 -0.00 0.00 0.00 30.24 29.46 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 -1.59 0.00 -3.97 2.61 7.64 -1.21 -5.00 113.62 112.10 2gcf n SER 33 Ca -0.01 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.67 2gcf n SER 33 Cb 0.10 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.14 2gcf n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2gcf s GLN 35 N 0.41 0.10 0.07 0.00 1.11 -0.39 -5.02 119.66 115.95 2gcf s GLN 35 Ca -0.06 0.41 0.08 0.00 0.01 0.00 0.00 55.36 55.80 2gcf s GLN 35 Cb -0.10 -0.18 -0.04 0.00 -1.01 0.00 0.00 33.01 31.68 2gcf s GLN 35 CO 0.01 -0.18 -0.19 0.54 0.01 0.00 0.00 175.29 175.48 2gcf s VAL 36 N 1.29 2.76 -0.42 1.09 0.11 -1.26 -0.40 120.40 123.56 2gcf s VAL 36 Ca -0.08 -1.33 0.04 0.00 -2.93 0.00 0.00 61.98 57.67 2gcf s VAL 36 Cb -0.11 -2.20 0.12 0.00 -1.53 0.00 0.00 36.38 32.65 2gcf s VAL 36 CO -0.06 0.24 0.15 0.21 -3.33 0.00 0.00 175.10 172.32 2gcf s ASN 37 N -1.70 4.47 0.00 3.54 3.84 0.55 -5.00 114.94 120.64 2gcf s ASN 37 Ca 0.16 -2.53 0.00 0.00 0.21 0.00 0.00 52.86 50.69 2gcf s ASN 37 Cb -0.10 -1.56 0.00 0.00 -0.55 0.00 0.00 41.25 39.04 2gcf s ASN 37 CO 0.07 -0.31 1.20 0.33 -2.79 0.00 0.00 177.10 175.60 2gcf n PHE 38 N 3.74 0.00 0.00 0.43 -0.00 -1.26 -1.42 117.46 118.95 2gcf n PHE 38 Ca 0.04 -0.60 0.00 0.00 -0.00 0.00 0.00 57.45 56.89 2gcf n PHE 38 Cb 0.37 -0.35 0.00 0.00 -0.00 0.00 0.00 39.48 39.51 2gcf n PHE 38 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2gcf n ALA 39 N 1.21 0.29 -1.54 3.13 0.00 -1.26 -4.91 120.51 117.44 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 0.38 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.29 1.46 0.00 0.00 7.94 -1.13 -5.04 117.00 119.93 2gcf n LEU 40 Ca 0.00 -2.35 0.00 0.00 -1.11 0.00 0.00 56.01 52.55 2gcf n LEU 40 Cb 0.00 -0.26 0.00 0.00 0.53 0.00 0.00 43.42 43.69 2gcf n LEU 40 CO 0.00 0.60 0.00 -0.62 -1.11 0.00 0.00 177.39 176.26 2gcf n GLU 41 N -0.77 0.00 -2.32 1.96 1.02 -0.51 -4.97 120.64 115.05 2gcf n GLU 41 Ca 0.10 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.89 2gcf n GLU 41 Cb 0.70 -3.33 -0.01 0.00 -0.02 0.00 0.00 31.44 28.78 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 3.47 -0.03 3.49 0.00 -1.24 -0.70 119.66 124.66 2gcf s GLN 42 Ca 0.00 1.57 0.06 0.00 -0.00 0.00 0.00 55.36 56.99 2gcf s GLN 42 Cb 0.00 -2.05 -0.02 0.00 0.00 0.00 0.00 33.01 30.94 2gcf s GLN 42 CO 0.00 -0.74 -0.21 0.00 0.00 0.00 0.00 175.29 174.34 2gcf s ALA 43 N -1.80 2.38 -0.11 2.60 0.00 -0.24 -0.33 121.76 124.25 2gcf s ALA 43 Ca 0.71 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 51.63 2gcf s ALA 43 Cb -0.22 -0.73 0.01 0.00 0.00 0.00 0.00 23.12 22.18 2gcf s ALA 43 CO 0.26 0.54 -0.18 0.54 0.00 0.00 0.00 175.76 176.91 2gcf s VAL 44 N -0.67 1.73 -0.10 0.00 0.11 0.47 -1.63 120.40 120.32 2gcf s VAL 44 Ca 0.11 -0.79 -0.08 0.00 -2.93 0.00 0.00 61.98 58.28 2gcf s VAL 44 Cb -0.10 -1.55 0.03 0.00 -1.53 0.00 0.00 36.38 33.23 2gcf s VAL 44 CO -0.00 0.49 0.25 -0.69 -3.33 0.00 0.00 175.10 171.82 2gcf s VAL 45 N 0.81 -0.01 -0.17 2.04 1.01 -0.47 -1.26 120.40 122.35 2gcf s VAL 45 Ca -0.09 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.89 2gcf s VAL 45 Cb -0.16 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 35.84 2gcf s VAL 45 CO 0.00 0.01 -0.06 -0.55 0.00 0.00 0.00 175.10 174.51 2gcf s SER 46 N 0.42 4.47 -0.35 3.32 0.15 -0.98 -1.22 113.70 119.50 2gcf s SER 46 Ca -0.02 -0.26 0.13 0.00 0.70 0.00 0.00 55.95 56.50 2gcf s SER 46 Cb -0.04 -1.73 0.42 0.00 -1.71 0.00 0.00 66.02 62.96 2gcf s SER 46 CO -0.02 0.10 1.37 0.00 1.20 0.00 0.00 173.24 175.89 2gcf n TYR 47 N 3.98 -1.52 -3.56 3.44 4.11 -1.22 -0.72 117.16 121.68 2gcf n TYR 47 Ca -0.18 -1.95 -0.21 0.00 -0.00 0.00 0.00 57.90 55.56 2gcf n TYR 47 Cb 0.52 1.18 -0.15 0.00 -0.00 0.00 0.00 39.34 40.89 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 -0.63 -0.07 0.00 -3.48 3.76 -1.08 -4.48 115.29 109.31 2gcf s HIS 48 Ca 0.18 0.02 0.00 0.00 -0.15 0.00 0.00 55.06 55.11 2gcf s HIS 48 Cb 0.42 -0.50 0.00 0.00 1.11 0.00 0.00 32.58 33.61 2gcf s HIS 48 CO -0.09 -0.54 0.00 0.41 -0.85 0.00 0.00 174.74 173.68 2gcf n GLY 49 N 5.30 0.84 0.21 -2.22 0.00 -0.49 -4.59 105.19 104.24 2gcf n GLY 49 Ca -0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 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 0.72 0.00 1.61 3.07 -1.99 -3.44 114.58 114.55 2gcf h GLU 50 Ca 0.00 -0.62 -0.11 0.00 -0.50 0.00 0.00 59.36 58.13 2gcf h GLU 50 Cb 0.00 0.14 -0.10 0.00 -0.84 0.00 0.00 28.75 27.94 2gcf h GLU 50 CO 0.00 1.22 -0.21 -2.37 -1.40 0.00 0.00 179.01 176.25 2gcf n THR 51 N -4.00 0.00 -1.67 1.13 5.66 -1.26 -5.13 114.28 109.02 2gcf n THR 51 Ca -0.08 -0.34 -0.46 0.00 -3.05 0.00 0.00 64.05 60.12 2gcf n THR 51 Cb 0.74 0.60 -0.04 0.00 -1.55 0.00 0.00 70.33 70.07 2gcf n THR 51 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 2gcf n THR 52 N -0.52 0.64 -1.43 1.09 -1.04 -1.26 -5.00 114.28 106.76 2gcf n THR 52 Ca -0.18 -0.14 0.00 0.00 -2.04 0.00 0.00 64.05 61.70 2gcf n THR 52 Cb 0.68 -2.08 0.00 0.00 -1.82 0.00 0.00 70.33 67.11 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 7.13 0.49 0.00 -2.82 -0.04 -1.26 -4.92 135.00 133.58 2gcf n PRO 53 Ca 0.22 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.69 2gcf n PRO 53 Cb 0.34 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 33.85 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 -0.85 0.08 0.28 0.54 7.27 -1.26 -1.93 117.38 121.52 2gcf n GLN 54 Ca 0.00 0.00 0.18 0.00 0.07 0.00 0.00 57.00 57.25 2gcf n GLN 54 Cb 0.00 -1.29 0.93 0.00 2.41 0.00 0.00 30.24 32.29 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 0.18 -0.29 1.69 1.08 -1.98 0.11 117.51 118.30 2gcf h ILE 55 Ca 0.00 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.55 2gcf h ILE 55 Cb 0.00 0.82 -0.01 0.00 -3.07 0.00 0.00 36.82 34.55 2gcf h ILE 55 CO 0.00 0.00 0.20 0.17 -0.69 0.00 0.00 178.15 177.83 2gcf h LEU 56 N 0.00 0.04 0.02 1.44 8.10 -1.74 -3.11 115.31 120.06 2gcf h LEU 56 Ca 0.04 0.00 -0.38 0.00 0.11 0.00 0.00 57.88 57.65 2gcf h LEU 56 Cb 0.44 -0.01 -0.05 0.00 -0.44 0.00 0.00 40.66 40.60 2gcf h LEU 56 CO -0.00 0.02 -2.13 0.41 -4.11 0.00 0.00 178.44 172.63 2gcf n THR 57 N -4.46 1.56 -0.33 0.15 -1.04 0.23 -4.65 114.28 105.74 2gcf n THR 57 Ca 0.04 -0.38 0.21 0.00 -2.04 0.00 0.00 64.05 61.88 2gcf n THR 57 Cb 0.34 -1.80 0.41 0.00 -1.82 0.00 0.00 70.33 67.46 2gcf n THR 57 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2gcf n ASP 58 N -3.96 0.07 0.30 8.00 -0.08 -0.27 -0.09 116.55 120.53 2gcf n ASP 58 Ca -0.44 1.65 0.19 0.00 -1.51 0.00 0.00 54.79 54.68 2gcf n ASP 58 Cb 0.89 -0.68 0.88 0.00 2.34 0.00 0.00 41.12 44.54 2gcf n ASP 58 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2gcf h ALA 59 N 1.96 1.00 -0.03 -1.67 0.00 -1.82 -0.99 119.26 117.71 2gcf h ALA 59 Ca 0.69 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 55.39 2gcf h ALA 59 Cb 1.63 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.43 2gcf h ALA 59 CO -0.85 0.00 -0.82 -0.39 0.00 0.00 0.00 179.25 177.19 2gcf h VAL 60 N 0.00 1.33 -0.06 0.00 -1.51 -0.79 -3.19 116.25 112.03 2gcf h VAL 60 Ca 0.00 -2.12 0.01 0.00 -1.23 0.00 0.00 66.70 63.37 2gcf h VAL 60 Cb 0.32 2.37 -0.01 0.00 -2.13 0.00 0.00 31.29 31.84 2gcf h VAL 60 CO 0.00 0.64 -0.03 -0.33 -1.23 0.00 0.00 177.57 176.62 2gcf h GLU 61 N 0.24 -0.03 -1.11 5.19 4.39 -1.23 -1.15 114.58 120.87 2gcf h GLU 61 Ca -0.09 0.00 0.32 0.00 0.34 0.00 0.00 59.36 59.92 2gcf h GLU 61 Cb 1.49 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 30.09 2gcf h GLU 61 CO 0.16 -0.02 0.78 -0.09 -1.16 0.00 0.00 179.01 178.69 2gcf h ARG 62 N -0.03 0.07 -0.00 2.33 1.12 -1.33 -1.59 114.38 114.96 2gcf h ARG 62 Ca 0.03 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.90 2gcf h ARG 62 Cb 0.08 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.02 2gcf h ARG 62 CO -0.08 0.04 -0.01 0.00 -3.11 0.00 0.00 179.97 176.82 2gcf n ALA 63 N -2.71 2.45 -0.65 2.80 0.00 -0.50 -4.88 120.51 117.02 2gcf n ALA 63 Ca 0.24 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2gcf n ALA 63 Cb 1.13 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 1.36 0.67 3.86 0.00 0.00 -0.60 -4.85 105.19 105.64 2gcf n GLY 64 Ca 0.12 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 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 1.73 0.05 1.61 2.02 -0.83 -4.73 117.35 115.19 2gcf s TYR 65 Ca 0.00 -0.86 -0.01 0.00 -0.37 0.00 0.00 57.07 55.82 2gcf s TYR 65 Cb 0.00 -1.83 -0.04 0.00 -0.40 0.00 0.00 41.96 39.69 2gcf s TYR 65 CO 0.00 -0.25 -0.02 -1.01 -1.57 0.00 0.00 175.55 172.70 2gcf s HIS 66 N -2.79 0.47 0.02 2.71 3.76 -0.05 -3.71 115.29 115.70 2gcf s HIS 66 Ca 0.26 -0.98 -0.18 0.00 -0.15 0.00 0.00 55.06 54.01 2gcf s HIS 66 Cb -0.01 -0.35 -0.06 0.00 1.11 0.00 0.00 32.58 33.27 2gcf s HIS 66 CO 0.16 -0.36 0.51 0.00 -0.85 0.00 0.00 174.74 174.20 2gcf s ALA 67 N -3.60 3.61 0.02 -1.40 0.00 -1.26 -0.06 121.76 119.07 2gcf s ALA 67 Ca 0.04 -0.07 0.03 0.00 0.00 0.00 0.00 51.96 51.96 2gcf s ALA 67 Cb 0.06 -2.56 -0.01 0.00 0.00 0.00 0.00 23.12 20.60 2gcf s ALA 67 CO -0.09 0.37 -0.10 -0.98 0.00 0.00 0.00 175.76 174.96 2gcf s ARG 68 N -0.85 0.69 0.36 0.00 1.70 -0.01 -4.89 118.95 115.95 2gcf s ARG 68 Ca 0.27 -0.53 -0.26 0.00 -0.47 0.00 0.00 55.73 54.75 2gcf s ARG 68 Cb -0.18 -0.63 -0.09 0.00 -0.57 0.00 0.00 34.95 33.47 2gcf s ARG 68 CO 0.16 0.16 1.06 0.14 -1.08 0.00 0.00 175.30 175.74 2gcf s VAL 69 N -0.65 3.67 0.33 4.99 -7.23 -1.26 -1.12 120.40 119.14 2gcf s VAL 69 Ca -0.00 1.41 0.03 0.00 -1.81 0.00 0.00 61.98 61.61 2gcf s VAL 69 Cb -0.06 -3.80 -0.02 0.00 0.56 0.00 0.00 36.38 33.06 2gcf s VAL 69 CO 0.00 0.14 0.49 -1.48 -0.31 0.00 0.00 175.10 173.94 2gcf s LEU 70 N -2.21 4.04 -0.04 1.32 0.05 -1.26 -4.75 118.68 115.84 2gcf s LEU 70 Ca 0.53 0.18 -0.20 0.00 0.05 0.00 0.00 54.13 54.70 2gcf s LEU 70 Cb -0.25 -3.04 0.04 0.00 -2.05 0.00 0.00 46.19 40.89 2gcf s LEU 70 CO 0.32 -0.32 0.43 -0.54 -0.55 0.00 0.00 176.35 175.69 2gcf s LYS 71 N -4.22 0.78 0.21 1.48 -0.14 -1.26 -5.01 119.74 111.57 2gcf s LYS 71 Ca 0.40 -0.00 0.21 0.00 -1.36 0.00 0.00 55.97 55.22 2gcf s LYS 71 Cb -0.09 0.35 0.02 0.00 -1.68 0.00 0.00 37.83 36.43 2gcf s LYS 71 CO 0.33 -0.22 1.09 -0.56 -0.76 0.00 0.00 175.35 175.23 2gcf h GLN 72 N 3.72 0.00 0.00 1.68 -0.00 -2.08 -3.55 115.11 114.88 2gcf h GLN 72 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.36 2gcf h GLN 72 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.65 2gcf h GLN 72 CO 0.38 0.08 0.00 1.04 -0.00 0.00 0.00 178.83 180.33