#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 -2.25 -1.91 3.04 0.00 -1.26 -5.00 120.51 113.14 2gcf n ALA 2 Ca 0.00 -0.78 -0.27 0.00 0.00 0.00 0.00 53.44 52.38 2gcf n ALA 2 Cb 0.00 -1.93 0.03 0.00 0.00 0.00 0.00 19.45 17.55 2gcf n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gcf n GLN 3 N -3.21 3.36 -3.50 0.00 0.00 -1.26 -5.05 117.38 107.73 2gcf n GLN 3 Ca 0.07 -3.99 -0.37 0.00 0.00 0.00 0.00 57.00 52.71 2gcf n GLN 3 Cb 0.54 -2.28 -0.06 0.00 0.00 0.00 0.00 30.24 28.44 2gcf n GLN 3 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 2gcf s THR 4 N -4.76 5.02 -0.06 -0.39 -1.32 -1.26 -3.85 115.64 109.02 2gcf s THR 4 Ca 0.54 0.78 0.04 0.00 -1.21 0.00 0.00 61.69 61.83 2gcf s THR 4 Cb 0.43 -3.71 -0.02 0.00 -1.51 0.00 0.00 72.50 67.69 2gcf s THR 4 CO -0.01 0.50 -0.16 -0.63 -2.21 0.00 0.00 174.62 172.11 2gcf s ILE 5 N -1.17 2.88 -0.03 5.08 1.09 -0.55 -4.98 121.20 123.53 2gcf s ILE 5 Ca 0.27 -0.78 0.07 0.00 -1.10 0.00 0.00 60.65 59.10 2gcf s ILE 5 Cb -0.16 -2.12 -0.02 0.00 -1.06 0.00 0.00 42.46 39.10 2gcf s ILE 5 CO 0.15 0.58 -0.24 0.54 -0.10 0.00 0.00 174.94 175.87 2gcf s ASN 6 N -0.56 2.80 0.33 3.58 2.20 -1.26 -1.75 114.94 120.29 2gcf s ASN 6 Ca 0.08 -0.44 -0.18 0.00 -0.94 0.00 0.00 52.86 51.37 2gcf s ASN 6 Cb -0.11 -0.43 0.04 0.00 -2.00 0.00 0.00 41.25 38.75 2gcf s ASN 6 CO 0.01 0.28 0.76 -1.48 -2.94 0.00 0.00 177.10 173.72 2gcf s LEU 7 N -0.45 -0.12 0.53 3.54 2.34 -0.47 -4.85 118.68 119.21 2gcf s LEU 7 Ca 0.06 -0.89 0.04 0.00 0.06 0.00 0.00 54.13 53.40 2gcf s LEU 7 Cb -0.10 2.79 0.04 0.00 -0.56 0.00 0.00 46.19 48.36 2gcf s LEU 7 CO 0.00 -1.53 0.74 -1.10 -1.06 0.00 0.00 176.35 173.40 2gcf s GLN 8 N -3.08 2.51 -0.35 1.48 -0.21 0.16 -0.45 119.66 119.72 2gcf s GLN 8 Ca 0.13 -1.07 -0.00 0.00 0.02 0.00 0.00 55.36 54.44 2gcf s GLN 8 Cb -0.06 -2.58 0.11 0.00 1.00 0.00 0.00 33.01 31.49 2gcf s GLN 8 CO 0.09 -0.67 0.15 -1.17 -2.12 0.00 0.00 175.29 171.57 2gcf s LEU 9 N -4.66 2.03 -0.10 2.90 2.96 -0.03 -1.02 118.68 120.77 2gcf s LEU 9 Ca 0.58 -1.94 -0.29 0.00 -0.22 0.00 0.00 54.13 52.26 2gcf s LEU 9 Cb -0.09 -0.80 -0.06 0.00 0.50 0.00 0.00 46.19 45.74 2gcf s LEU 9 CO 0.37 -0.36 1.85 -1.61 -1.32 0.00 0.00 176.35 175.28 2gcf s GLU 10 N 1.26 3.88 0.00 1.98 2.02 0.58 -2.43 118.70 126.00 2gcf s GLU 10 Ca 0.13 2.17 0.00 0.00 0.02 0.00 0.00 54.97 57.29 2gcf s GLU 10 Cb -0.20 -4.13 0.00 0.00 0.10 0.00 0.00 34.13 29.91 2gcf s GLU 10 CO -0.16 -1.22 0.00 0.41 0.02 0.00 0.00 175.26 174.31 2gcf n GLY 11 N 4.69 0.75 3.45 -1.39 0.00 -1.26 -0.99 105.19 110.44 2gcf n GLY 11 Ca 0.21 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.76 2gcf n GLY 11 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2gcf n MET 12 N -2.45 0.56 0.00 1.61 1.56 -1.02 -4.74 117.12 112.64 2gcf n MET 12 Ca 0.00 0.10 0.00 0.00 -0.27 0.00 0.00 57.70 57.53 2gcf n MET 12 Cb 0.00 -2.19 0.00 0.00 2.15 0.00 0.00 33.22 33.18 2gcf n MET 12 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 2gcf n ARG 13 N 8.32 0.00 -4.14 2.12 1.74 -1.26 -5.05 116.66 118.39 2gcf n ARG 13 Ca 0.50 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 57.32 2gcf n ARG 13 Cb 0.18 -0.10 -0.17 0.00 -1.02 0.00 0.00 32.46 31.35 2gcf n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2gcf h ALA 15 N 7.76 1.50 0.42 0.00 0.00 -1.98 -0.70 119.26 126.26 2gcf h ALA 15 Ca -0.31 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 2gcf h ALA 15 Cb 1.15 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2gcf h ALA 15 CO 0.44 0.40 -0.20 0.00 0.00 0.00 0.00 179.25 179.89 2gcf h ALA 16 N 1.52 -0.56 -0.77 0.00 0.00 -1.99 -0.27 119.26 117.19 2gcf h ALA 16 Ca 0.35 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.19 2gcf h ALA 16 Cb 0.09 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 2gcf h ALA 16 CO -0.11 -0.77 0.43 0.00 0.00 0.00 0.00 179.25 178.80 2gcf h ALA 18 N 1.42 0.16 0.00 0.00 0.00 -1.01 -2.69 119.26 117.14 2gcf h ALA 18 Ca 0.36 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 2gcf h ALA 18 Cb 0.31 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2gcf h ALA 18 CO -0.23 -0.21 -0.30 1.03 0.00 0.00 0.00 179.25 179.54 2gcf h SER 19 N 0.01 0.00 0.45 0.00 0.87 -0.83 -1.33 113.55 112.72 2gcf h SER 19 Ca 0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2gcf h SER 19 Cb 0.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 2gcf h SER 19 CO -0.00 0.30 0.00 -0.24 -0.53 0.00 0.00 176.83 176.36 2gcf n SER 20 N -3.73 0.00 0.01 6.23 2.88 -0.08 -1.30 113.62 117.63 2gcf n SER 20 Ca -0.01 0.40 -0.01 0.00 -1.33 0.00 0.00 58.87 57.92 2gcf n SER 20 Cb 0.40 -0.45 -0.00 0.00 -0.75 0.00 0.00 64.21 63.41 2gcf n SER 20 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2gcf h ILE 21 N 0.00 0.00 -0.80 2.46 2.04 -0.90 -3.17 117.51 117.14 2gcf h ILE 21 Ca 0.00 -0.03 0.13 0.00 1.00 0.00 0.00 64.86 65.96 2gcf h ILE 21 Cb 0.22 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.16 2gcf h ILE 21 CO 0.00 0.00 -0.36 -0.33 0.00 0.00 0.00 178.15 177.46 2gcf h GLU 22 N -0.06 -0.08 0.00 2.37 4.39 -1.50 0.19 114.58 119.89 2gcf h GLU 22 Ca -0.00 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 2gcf h GLU 22 Cb 0.03 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 2gcf h GLU 22 CO 0.01 -0.05 -0.18 -0.09 -1.16 0.00 0.00 179.01 177.54 2gcf h ARG 23 N -0.08 0.00 0.10 2.33 9.65 -1.40 -0.85 114.38 124.14 2gcf h ARG 23 Ca 0.29 0.00 -0.18 0.00 -1.10 0.00 0.00 59.98 58.99 2gcf h ARG 23 Cb 0.58 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.16 2gcf h ARG 23 CO -0.84 0.18 -0.87 0.00 2.80 0.00 0.00 179.97 181.24 2gcf h ALA 24 N 1.82 0.02 -0.30 2.80 0.00 -0.95 -3.37 119.26 119.28 2gcf h ALA 24 Ca -0.00 -0.81 0.02 0.00 0.00 0.00 0.00 54.91 54.13 2gcf h ALA 24 Cb 0.63 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2gcf h ALA 24 CO 0.02 0.46 0.20 0.82 0.00 0.00 0.00 179.25 180.75 2gcf h ILE 25 N -0.50 1.02 0.00 0.00 2.04 -0.45 -2.32 117.51 117.30 2gcf h ILE 25 Ca -0.18 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.58 2gcf h ILE 25 Cb 1.55 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 2gcf h ILE 25 CO 0.08 0.06 0.51 0.00 0.00 0.00 0.00 178.15 178.79 2gcf h ALA 26 N 1.83 1.41 -0.01 1.87 0.00 -1.32 0.23 119.26 123.27 2gcf h ALA 26 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2gcf h ALA 26 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2gcf h ALA 26 CO -0.03 -0.41 -0.37 1.63 0.00 0.00 0.00 179.25 180.07 2gcf n LYS 27 N -2.25 1.51 -2.30 0.00 4.01 -0.87 -4.99 118.16 113.26 2gcf n LYS 27 Ca -0.01 -0.95 -0.41 0.00 -0.51 0.00 0.00 58.31 56.43 2gcf n LYS 27 Cb 0.53 -1.36 -0.03 0.00 -0.51 0.00 0.00 35.03 33.65 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 -2.11 3.40 0.08 -0.18 1.01 0.81 -4.91 120.40 118.50 2gcf s VAL 28 Ca 0.16 1.17 -0.31 0.00 0.00 0.00 0.00 61.98 63.01 2gcf s VAL 28 Cb 0.15 -3.75 -0.10 0.00 0.00 0.00 0.00 36.38 32.69 2gcf s VAL 28 CO 0.46 0.18 1.92 -0.81 0.00 0.00 0.00 175.10 176.85 2gcf n PRO 29 N 2.51 2.85 -1.00 2.72 -0.04 -1.26 -0.71 135.00 140.06 2gcf n PRO 29 Ca 0.05 1.04 0.00 0.00 -0.04 0.00 0.00 63.50 64.55 2gcf n PRO 29 Cb 0.44 -2.97 0.00 0.00 -0.04 0.00 0.00 33.50 30.92 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 4.42 0.53 3.66 0.55 0.00 -1.26 -2.79 105.19 110.30 2gcf n GLY 30 Ca 0.19 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.94 0.22 0.00 1.61 3.14 0.11 -2.90 118.33 117.58 2gcf n VAL 31 Ca 0.00 -0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 2gcf n VAL 31 Cb 0.00 -1.39 0.00 0.00 -1.06 0.00 0.00 33.84 31.39 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 4.47 2.90 -3.63 1.45 -0.00 -0.23 -4.93 117.38 117.42 2gcf n GLN 32 Ca 0.21 0.00 -0.06 0.00 -0.00 0.00 0.00 57.00 57.15 2gcf n GLN 32 Cb 0.23 -0.66 -0.06 0.00 -0.00 0.00 0.00 30.24 29.75 2gcf n GLN 32 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 2gcf s SER 33 N -1.03 -0.23 0.08 2.61 0.01 -1.23 -5.01 113.70 108.91 2gcf s SER 33 Ca 0.00 0.37 0.10 0.00 1.31 0.00 0.00 55.95 57.72 2gcf s SER 33 Cb 0.00 0.35 -0.03 0.00 0.21 0.00 0.00 66.02 66.54 2gcf s SER 33 CO 0.00 -0.13 -0.26 0.00 0.41 0.00 0.00 173.24 173.26 2gcf s GLN 35 N -1.60 0.55 -0.07 0.00 2.00 -0.47 -5.00 119.66 115.07 2gcf s GLN 35 Ca 0.12 1.24 0.03 0.00 -2.00 0.00 0.00 55.36 54.74 2gcf s GLN 35 Cb -0.10 0.68 -0.02 0.00 0.80 0.00 0.00 33.01 34.37 2gcf s GLN 35 CO 0.04 -0.37 -0.14 0.54 -0.50 0.00 0.00 175.29 174.86 2gcf s VAL 36 N 2.85 3.06 -0.51 1.34 0.11 -1.26 -0.34 120.40 125.65 2gcf s VAL 36 Ca 0.04 -0.71 -0.05 0.00 -2.93 0.00 0.00 61.98 58.33 2gcf s VAL 36 Cb -0.13 -2.22 0.13 0.00 -1.53 0.00 0.00 36.38 32.63 2gcf s VAL 36 CO -0.19 0.57 0.34 0.21 -3.33 0.00 0.00 175.10 172.71 2gcf s ASN 37 N -0.44 5.46 0.00 3.54 3.84 0.16 -4.99 114.94 122.51 2gcf s ASN 37 Ca 0.05 -2.27 -0.03 0.00 0.21 0.00 0.00 52.86 50.82 2gcf s ASN 37 Cb -0.12 -1.91 -0.12 0.00 -0.55 0.00 0.00 41.25 38.55 2gcf s ASN 37 CO 0.02 -0.54 2.32 0.33 -2.79 0.00 0.00 177.10 176.44 2gcf n PHE 38 N 4.33 0.00 0.00 0.43 7.35 -1.26 -2.29 117.46 126.02 2gcf n PHE 38 Ca -0.00 -1.00 0.00 0.00 -0.76 0.00 0.00 57.45 55.69 2gcf n PHE 38 Cb 0.40 -0.94 0.00 0.00 0.35 0.00 0.00 39.48 39.30 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 2.16 0.00 -1.62 3.13 0.00 -1.26 -4.96 120.51 117.97 2gcf n ALA 39 Ca 0.18 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.69 2gcf n ALA 39 Cb 0.57 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.15 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 -0.98 1.97 0.00 0.00 7.94 -1.19 -5.03 117.00 119.71 2gcf n LEU 40 Ca 0.00 -2.96 0.00 0.00 -1.11 0.00 0.00 56.01 51.94 2gcf n LEU 40 Cb 0.00 -0.35 0.00 0.00 0.53 0.00 0.00 43.42 43.60 2gcf n LEU 40 CO 0.00 0.88 0.00 -0.62 -1.11 0.00 0.00 177.39 176.54 2gcf n GLU 41 N -0.83 0.00 -1.34 1.96 1.02 -0.97 -4.96 120.64 115.53 2gcf n GLU 41 Ca 0.13 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.96 2gcf n GLU 41 Cb 0.75 -3.21 0.09 0.00 -0.02 0.00 0.00 31.44 29.04 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 2.23 0.10 3.49 0.00 -1.25 -0.85 119.66 123.38 2gcf s GLN 42 Ca 0.00 1.34 0.06 0.00 -0.00 0.00 0.00 55.36 56.76 2gcf s GLN 42 Cb 0.00 -1.88 -0.03 0.00 0.00 0.00 0.00 33.01 31.09 2gcf s GLN 42 CO 0.00 -1.68 -0.16 0.00 0.00 0.00 0.00 175.29 173.44 2gcf s ALA 43 N -2.63 1.51 -0.04 2.60 0.00 0.40 -0.67 121.76 122.94 2gcf s ALA 43 Ca 0.65 -1.18 0.01 0.00 0.00 0.00 0.00 51.96 51.43 2gcf s ALA 43 Cb -0.20 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 22.80 2gcf s ALA 43 CO 0.51 0.22 -0.03 0.54 0.00 0.00 0.00 175.76 177.00 2gcf s VAL 44 N -1.51 0.40 -0.02 0.00 0.11 0.54 -1.36 120.40 118.56 2gcf s VAL 44 Ca 0.05 -0.04 -0.08 0.00 -2.93 0.00 0.00 61.98 58.98 2gcf s VAL 44 Cb -0.08 -0.46 0.01 0.00 -1.53 0.00 0.00 36.38 34.32 2gcf s VAL 44 CO 0.03 0.20 0.18 -0.69 -3.33 0.00 0.00 175.10 171.49 2gcf s VAL 45 N 0.99 0.05 -0.14 2.04 1.01 -0.71 -1.36 120.40 122.28 2gcf s VAL 45 Ca -0.10 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.45 2gcf s VAL 45 Cb -0.14 -0.40 0.02 0.00 0.00 0.00 0.00 36.38 35.85 2gcf s VAL 45 CO -0.01 -0.24 -0.17 -0.55 0.00 0.00 0.00 175.10 174.13 2gcf s SER 46 N -0.89 2.73 -0.33 3.32 0.15 -1.10 -1.48 113.70 116.10 2gcf s SER 46 Ca -0.10 -0.51 0.09 0.00 0.70 0.00 0.00 55.95 56.13 2gcf s SER 46 Cb -0.05 -1.23 0.33 0.00 -1.71 0.00 0.00 66.02 63.35 2gcf s SER 46 CO 0.01 0.00 1.33 0.00 1.20 0.00 0.00 173.24 175.78 2gcf n TYR 47 N 4.42 -1.88 -3.71 3.44 4.11 -1.23 -1.06 117.16 121.24 2gcf n TYR 47 Ca -0.19 -1.55 -0.14 0.00 -0.00 0.00 0.00 57.90 56.03 2gcf n TYR 47 Cb 0.51 1.46 -0.08 0.00 -0.00 0.00 0.00 39.34 41.23 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 0.14 -0.27 0.00 -3.48 3.76 -1.12 -4.46 115.29 109.86 2gcf s HIS 48 Ca 0.13 0.38 0.00 0.00 -0.15 0.00 0.00 55.06 55.42 2gcf s HIS 48 Cb 0.35 0.17 0.00 0.00 1.11 0.00 0.00 32.58 34.20 2gcf s HIS 48 CO -0.09 -0.46 0.00 0.41 -0.85 0.00 0.00 174.74 173.75 2gcf n GLY 49 N 1.05 1.57 0.54 -2.22 0.00 -1.23 -4.52 105.19 100.37 2gcf n GLY 49 Ca -0.20 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.19 2gcf n GLY 49 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2gcf n GLU 50 N 0.00 0.74 -2.74 1.61 0.00 -1.26 -4.32 120.64 114.67 2gcf n GLU 50 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.07 2gcf n GLU 50 Cb 0.00 -1.35 0.07 0.00 0.00 0.00 0.00 31.44 30.16 2gcf n GLU 50 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 2gcf n THR 51 N 0.17 0.00 -1.48 3.84 5.66 -1.26 -5.13 114.28 116.08 2gcf n THR 51 Ca 0.00 -1.50 -0.52 0.00 -3.05 0.00 0.00 64.05 58.98 2gcf n THR 51 Cb 0.20 1.50 -0.07 0.00 -1.55 0.00 0.00 70.33 70.41 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 0.89 0.21 -3.40 1.09 -1.04 -1.26 -4.97 114.28 105.80 2gcf n THR 52 Ca 0.07 -0.21 -0.21 0.00 -2.04 0.00 0.00 64.05 61.66 2gcf n THR 52 Cb 0.67 -1.54 -0.00 0.00 -1.82 0.00 0.00 70.33 67.63 2gcf n THR 52 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2gcf s PRO 53 N 5.78 3.18 0.64 -2.82 0.04 -1.26 -5.00 135.00 135.56 2gcf s PRO 53 Ca 1.08 -0.78 0.37 0.00 0.04 0.00 0.00 61.00 61.71 2gcf s PRO 53 Cb -0.91 -2.75 2.09 0.00 0.04 0.00 0.00 34.50 32.97 2gcf s PRO 53 CO 0.52 0.03 2.26 -0.56 0.04 0.00 0.00 177.00 179.29 2gcf h GLN 54 N 0.79 0.00 -0.27 4.56 3.07 -2.02 -2.80 115.11 118.44 2gcf h GLN 54 Ca -0.47 0.00 0.08 0.00 0.09 0.00 0.00 58.65 58.35 2gcf h GLN 54 Cb 1.25 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.80 2gcf h GLN 54 CO 0.56 0.00 0.24 0.82 0.09 0.00 0.00 178.83 180.54 2gcf h ILE 55 N 0.00 0.60 -0.83 1.86 2.04 -1.97 0.52 117.51 119.73 2gcf h ILE 55 Ca 0.01 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.99 2gcf h ILE 55 Cb 0.14 0.82 -0.08 0.00 -0.74 0.00 0.00 36.82 36.95 2gcf h ILE 55 CO -0.00 0.00 0.45 0.17 0.00 0.00 0.00 178.15 178.77 2gcf h LEU 56 N 0.00 0.60 0.08 1.44 8.10 -1.85 -2.04 115.31 121.64 2gcf h LEU 56 Ca 0.13 0.07 -0.29 0.00 0.11 0.00 0.00 57.88 57.90 2gcf h LEU 56 Cb 0.61 -0.04 -0.02 0.00 -0.44 0.00 0.00 40.66 40.78 2gcf h LEU 56 CO -0.00 0.30 -1.55 0.74 -4.11 0.00 0.00 178.44 173.82 2gcf h THR 57 N 0.70 0.86 -1.02 0.15 2.02 -1.22 -3.38 112.91 111.03 2gcf h THR 57 Ca 0.43 -2.31 0.27 0.00 0.77 0.00 0.00 66.41 65.57 2gcf h THR 57 Cb 0.51 2.49 -0.13 0.00 -1.74 0.00 0.00 68.15 69.28 2gcf h THR 57 CO -0.30 0.64 0.60 -0.78 0.37 0.00 0.00 175.52 176.05 2gcf h ASP 58 N -0.41 0.61 0.30 4.18 1.82 -1.02 0.22 116.42 122.12 2gcf h ASP 58 Ca -0.36 0.14 0.00 0.00 -0.39 0.00 0.00 57.03 56.43 2gcf h ASP 58 Cb 1.70 0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.76 2gcf h ASP 58 CO -0.02 0.04 0.00 0.00 -1.61 0.00 0.00 179.24 177.65 2gcf n ALA 59 N -2.33 1.34 -0.07 -0.78 0.00 -0.77 -1.29 120.51 116.61 2gcf n ALA 59 Ca 0.28 0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.63 2gcf n ALA 59 Cb 0.83 -1.22 -0.14 0.00 0.00 0.00 0.00 19.45 18.91 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 -1.84 1.54 -0.09 0.00 0.31 0.76 -4.54 118.33 114.47 2gcf n VAL 60 Ca 0.01 -0.74 -0.11 0.00 -0.01 0.00 0.00 64.34 63.49 2gcf n VAL 60 Cb 0.11 -1.07 -0.04 0.00 -0.91 0.00 0.00 33.84 31.93 2gcf n VAL 60 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2gcf h GLU 61 N 0.01 0.51 0.00 5.55 4.39 -1.03 -2.70 114.58 121.31 2gcf h GLU 61 Ca -0.47 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.05 2gcf h GLU 61 Cb 2.07 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.68 2gcf h GLU 61 CO 0.02 0.70 0.40 0.07 -1.16 0.00 0.00 179.01 179.04 2gcf h ARG 62 N 0.28 0.00 0.00 2.33 -0.00 -1.43 -1.68 114.38 113.88 2gcf h ARG 62 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.05 2gcf h ARG 62 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.46 2gcf h ARG 62 CO 0.02 0.00 -1.09 0.00 -0.00 0.00 0.00 179.97 178.90 2gcf n ALA 63 N -1.57 4.53 -0.28 0.08 0.00 -1.03 -4.97 120.51 117.26 2gcf n ALA 63 Ca -0.01 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.85 2gcf n ALA 63 Cb 0.42 -0.76 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 1.47 0.73 2.50 0.00 0.00 -0.63 -4.86 105.19 104.40 2gcf n GLY 64 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.12 -2.36 -4.09 1.61 4.01 -1.14 -4.91 117.16 108.17 2gcf n TYR 65 Ca 0.00 -1.37 -0.14 0.00 -0.16 0.00 0.00 57.90 56.23 2gcf n TYR 65 Cb 0.00 -0.35 -0.12 0.00 -0.31 0.00 0.00 39.34 38.56 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 -1.36 0.67 -0.79 -0.72 3.76 -0.16 -4.23 115.29 112.47 2gcf s HIS 66 Ca 0.37 -0.44 -0.25 0.00 -0.15 0.00 0.00 55.06 54.59 2gcf s HIS 66 Cb -0.03 -0.40 -0.02 0.00 1.11 0.00 0.00 32.58 33.24 2gcf s HIS 66 CO 0.23 -0.07 1.78 0.00 -0.85 0.00 0.00 174.74 175.83 2gcf s ALA 67 N -1.19 2.11 -0.10 -1.40 0.00 -1.26 -0.30 121.76 119.62 2gcf s ALA 67 Ca -0.08 -1.26 -0.26 0.00 0.00 0.00 0.00 51.96 50.36 2gcf s ALA 67 Cb -0.09 -4.42 -0.02 0.00 0.00 0.00 0.00 23.12 18.59 2gcf s ALA 67 CO 0.00 -4.14 0.85 0.50 0.00 0.00 0.00 175.76 172.97 2gcf s ARG 68 N 6.63 4.41 0.07 0.00 6.06 -0.19 -4.91 118.95 131.01 2gcf s ARG 68 Ca 0.62 1.12 -0.31 0.00 -2.50 0.00 0.00 55.73 54.66 2gcf s ARG 68 Cb -0.08 -3.51 -0.06 0.00 0.06 0.00 0.00 34.95 31.36 2gcf s ARG 68 CO 0.08 -0.17 1.23 0.14 -2.50 0.00 0.00 175.30 174.08 2gcf s VAL 69 N 1.54 3.93 0.17 7.11 -7.23 -1.26 -0.67 120.40 123.99 2gcf s VAL 69 Ca 0.42 1.38 0.07 0.00 -1.81 0.00 0.00 61.98 62.04 2gcf s VAL 69 Cb -0.18 -3.89 -0.04 0.00 0.56 0.00 0.00 36.38 32.83 2gcf s VAL 69 CO 0.18 0.10 0.04 -1.48 -0.31 0.00 0.00 175.10 173.63 2gcf s LEU 70 N 1.11 3.45 -0.03 1.32 0.05 -1.26 -4.81 118.68 118.52 2gcf s LEU 70 Ca 0.60 -0.32 -0.31 0.00 0.05 0.00 0.00 54.13 54.14 2gcf s LEU 70 Cb -0.30 -2.09 0.12 0.00 -2.05 0.00 0.00 46.19 41.87 2gcf s LEU 70 CO 0.29 0.08 1.30 -0.75 -0.55 0.00 0.00 176.35 176.73 2gcf s LYS 71 N -3.00 0.36 0.36 1.48 2.20 -1.26 -5.01 119.74 114.87 2gcf s LYS 71 Ca 0.28 -0.20 0.06 0.00 -0.36 0.00 0.00 55.97 55.75 2gcf s LYS 71 Cb -0.09 0.12 -0.03 0.00 -1.51 0.00 0.00 37.83 36.32 2gcf s LYS 71 CO 0.20 -0.16 0.22 -0.65 -0.36 0.00 0.00 175.35 174.59 2gcf s GLN 72 N -2.39 1.81 0.00 4.03 -1.52 -1.26 -5.25 119.66 115.09 2gcf s GLN 72 Ca 0.14 -2.07 0.11 0.00 -1.95 0.00 0.00 55.36 51.59 2gcf s GLN 72 Cb 0.05 -0.02 0.67 0.00 -0.22 0.00 0.00 33.01 33.49 2gcf s GLN 72 CO -0.04 -0.58 1.10 0.00 -0.25 0.00 0.00 175.29 175.52