#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 0.08 -2.60 3.04 0.00 -1.26 -4.96 120.51 114.81 2gcf n ALA 2 Ca 0.00 0.39 -0.26 0.00 0.00 0.00 0.00 53.44 53.56 2gcf n ALA 2 Cb 0.00 -2.07 -0.01 0.00 0.00 0.00 0.00 19.45 17.37 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 0.70 3.29 -3.27 0.00 -0.06 -1.26 -5.06 117.38 111.72 2gcf n GLN 3 Ca 0.09 -4.54 -0.38 0.00 -2.00 0.00 0.00 57.00 50.16 2gcf n GLN 3 Cb 0.33 -2.21 -0.06 0.00 -4.06 0.00 0.00 30.24 24.24 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 -5.18 5.16 0.26 1.69 -1.32 -1.26 -4.39 115.64 110.60 2gcf s THR 4 Ca 0.47 1.03 -0.30 0.00 -1.21 0.00 0.00 61.69 61.69 2gcf s THR 4 Cb 0.37 -3.85 -0.10 0.00 -1.51 0.00 0.00 72.50 67.41 2gcf s THR 4 CO -0.17 0.30 1.46 -0.63 -2.21 0.00 0.00 174.62 173.37 2gcf s ILE 5 N 0.72 2.57 -0.09 5.08 -1.09 0.35 -4.86 121.20 123.89 2gcf s ILE 5 Ca 0.28 0.48 -0.04 0.00 -2.23 0.00 0.00 60.65 59.14 2gcf s ILE 5 Cb -0.16 -3.31 0.05 0.00 -1.58 0.00 0.00 42.46 37.46 2gcf s ILE 5 CO 0.11 0.08 0.18 0.54 -1.23 0.00 0.00 174.94 174.62 2gcf s ASN 6 N 0.37 0.41 0.37 3.58 2.20 -1.26 -0.76 114.94 119.85 2gcf s ASN 6 Ca 0.60 0.37 -0.15 0.00 -0.94 0.00 0.00 52.86 52.74 2gcf s ASN 6 Cb -0.43 0.32 0.05 0.00 -2.00 0.00 0.00 41.25 39.19 2gcf s ASN 6 CO 0.44 -0.21 0.76 -1.48 -2.94 0.00 0.00 177.10 173.67 2gcf s LEU 7 N 1.96 0.05 0.16 3.54 2.34 -0.65 -4.89 118.68 121.19 2gcf s LEU 7 Ca -0.01 -1.11 0.02 0.00 0.06 0.00 0.00 54.13 53.08 2gcf s LEU 7 Cb -0.12 2.74 -0.04 0.00 -0.56 0.00 0.00 46.19 48.22 2gcf s LEU 7 CO -0.06 -1.63 0.31 -1.10 -1.06 0.00 0.00 176.35 172.81 2gcf s GLN 8 N -2.54 3.46 -0.08 1.48 -0.21 -0.08 -0.59 119.66 121.09 2gcf s GLN 8 Ca 0.16 -0.54 0.02 0.00 0.02 0.00 0.00 55.36 55.02 2gcf s GLN 8 Cb -0.05 -2.94 0.01 0.00 1.00 0.00 0.00 33.01 31.04 2gcf s GLN 8 CO 0.12 0.49 -0.14 -1.17 -2.12 0.00 0.00 175.29 172.47 2gcf s LEU 9 N -3.26 1.70 0.03 2.90 0.20 -0.68 -0.79 118.68 118.78 2gcf s LEU 9 Ca 0.35 -0.36 0.02 0.00 0.69 0.00 0.00 54.13 54.83 2gcf s LEU 9 Cb -0.11 -0.97 -0.02 0.00 -0.43 0.00 0.00 46.19 44.66 2gcf s LEU 9 CO 0.29 0.04 -0.07 -1.61 -0.29 0.00 0.00 176.35 174.71 2gcf s GLU 10 N 0.76 0.48 0.00 1.98 2.02 -0.01 -4.94 118.70 118.99 2gcf s GLU 10 Ca -0.12 -0.66 0.00 0.00 0.02 0.00 0.00 54.97 54.21 2gcf s GLU 10 Cb -0.16 -0.24 0.00 0.00 0.10 0.00 0.00 34.13 33.83 2gcf s GLU 10 CO 0.03 0.04 0.00 0.41 0.02 0.00 0.00 175.26 175.76 2gcf n GLY 11 N 1.67 2.44 3.92 -1.39 0.00 -1.26 -0.18 105.19 110.38 2gcf n GLY 11 Ca -0.22 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.15 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 3.54 -0.44 1.61 0.23 -1.26 -5.05 119.30 117.92 2gcf s MET 12 Ca 0.00 -0.29 0.07 0.00 -1.03 0.00 0.00 55.69 54.44 2gcf s MET 12 Cb 0.00 -2.87 0.24 0.00 -1.53 0.00 0.00 34.83 30.66 2gcf s MET 12 CO 0.00 0.45 0.53 0.54 -2.03 0.00 0.00 175.02 174.51 2gcf n ARG 13 N -0.30 0.95 0.00 3.16 1.74 -1.26 -5.04 116.66 115.91 2gcf n ARG 13 Ca -0.04 -3.47 0.00 0.00 -0.77 0.00 0.00 57.85 53.56 2gcf n ARG 13 Cb 0.53 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 2gcf n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2gcf s ALA 15 N -1.46 -0.10 0.00 0.00 0.00 -1.26 -5.05 121.76 113.89 2gcf s ALA 15 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.52 2gcf s ALA 15 Cb 0.00 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.30 2gcf s ALA 15 CO 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 175.76 175.51 2gcf n ALA 16 N 1.14 0.00 0.28 0.00 0.00 -1.26 -4.88 120.51 115.78 2gcf n ALA 16 Ca -0.21 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.36 2gcf n ALA 16 Cb 0.57 0.00 0.81 0.00 0.00 0.00 0.00 19.45 20.83 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 1.94 -1.33 0.00 0.00 0.00 -1.97 0.18 119.26 118.07 2gcf h ALA 18 Ca -0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2gcf h ALA 18 Cb 0.15 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2gcf h ALA 18 CO 0.01 -1.24 -0.03 1.03 0.00 0.00 0.00 179.25 179.01 2gcf h SER 19 N -1.26 0.00 0.86 0.00 0.87 -1.85 -1.75 113.55 110.42 2gcf h SER 19 Ca -0.13 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.43 2gcf h SER 19 Cb 0.96 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.92 2gcf h SER 19 CO 0.21 0.03 -0.03 -1.28 -0.53 0.00 0.00 176.83 175.24 2gcf h SER 20 N 0.00 0.00 0.47 6.23 0.87 -0.98 0.16 113.55 120.30 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 0.64 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 2gcf h SER 20 CO 0.00 0.03 -0.23 0.40 -0.53 0.00 0.00 176.83 176.51 2gcf h ILE 21 N 0.00 0.01 -0.84 2.23 2.04 0.27 -3.18 117.51 118.04 2gcf h ILE 21 Ca -0.00 -0.54 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 2gcf h ILE 21 Cb 0.46 0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.52 2gcf h ILE 21 CO 0.00 0.00 0.51 1.05 0.00 0.00 0.00 178.15 179.72 2gcf h GLU 22 N -1.17 1.14 0.00 2.37 4.11 -1.33 0.12 114.58 119.83 2gcf h GLU 22 Ca -0.06 -0.10 -0.02 0.00 0.07 0.00 0.00 59.36 59.25 2gcf h GLU 22 Cb 0.49 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 2gcf h GLU 22 CO 0.11 0.80 -0.08 -0.09 0.07 0.00 0.00 179.01 179.82 2gcf h ARG 23 N 1.16 0.00 0.12 1.06 9.65 -1.12 0.14 114.38 125.39 2gcf h ARG 23 Ca 0.30 0.00 -0.31 0.00 -1.10 0.00 0.00 59.98 58.87 2gcf h ARG 23 Cb -0.05 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.52 2gcf h ARG 23 CO -0.06 0.08 -1.57 0.00 2.80 0.00 0.00 179.97 181.22 2gcf h ALA 24 N 1.92 0.29 -0.06 2.80 0.00 -1.22 -3.34 119.26 119.64 2gcf h ALA 24 Ca -0.00 -1.13 0.00 0.00 0.00 0.00 0.00 54.91 53.78 2gcf h ALA 24 Cb 0.59 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 2gcf h ALA 24 CO 0.01 1.15 0.04 0.82 0.00 0.00 0.00 179.25 181.27 2gcf h ILE 25 N 0.07 1.01 0.00 0.00 2.04 0.16 -2.26 117.51 118.53 2gcf h ILE 25 Ca -0.26 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.58 2gcf h ILE 25 Cb 2.02 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 39.04 2gcf h ILE 25 CO 0.16 0.01 0.01 0.00 0.00 0.00 0.00 178.15 178.33 2gcf n ALA 26 N -2.53 1.19 0.64 1.87 0.00 0.41 0.07 120.51 122.15 2gcf n ALA 26 Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.53 2gcf n ALA 26 Cb 0.10 -0.85 0.06 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.02 0.24 -2.07 0.00 4.01 -0.85 -4.92 118.16 113.55 2gcf n LYS 27 Ca 0.00 0.01 -0.42 0.00 -0.51 0.00 0.00 58.31 57.39 2gcf n LYS 27 Cb 0.01 -1.59 -0.03 0.00 -0.51 0.00 0.00 35.03 32.92 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 -3.16 3.69 0.25 -0.18 1.01 0.11 -4.91 120.40 117.21 2gcf s VAL 28 Ca 0.05 0.82 0.26 0.00 0.00 0.00 0.00 61.98 63.11 2gcf s VAL 28 Cb 0.15 -3.56 0.26 0.00 0.00 0.00 0.00 36.38 33.22 2gcf s VAL 28 CO 0.78 -0.11 1.93 1.55 0.00 0.00 0.00 175.10 179.25 2gcf h PRO 29 N 9.60 0.00 -0.00 2.72 0.13 -1.89 -2.54 132.00 140.02 2gcf h PRO 29 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2gcf h PRO 29 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2gcf h PRO 29 CO 0.96 0.18 -0.01 0.41 -0.23 0.00 0.00 178.00 179.32 2gcf n GLY 30 N -0.19 -0.96 3.57 1.56 0.00 -1.26 -4.90 105.19 103.00 2gcf n GLY 30 Ca -0.01 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.95 0.22 0.22 1.61 3.14 -0.96 -4.19 118.33 117.41 2gcf n VAL 31 Ca 0.21 -0.50 0.11 0.00 -2.96 0.00 0.00 64.34 61.20 2gcf n VAL 31 Cb 0.16 -2.46 -0.01 0.00 -1.06 0.00 0.00 33.84 30.47 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 8.75 0.53 -3.63 1.45 -0.00 0.16 -4.95 117.38 119.68 2gcf n GLN 32 Ca 0.34 0.04 -0.05 0.00 -0.00 0.00 0.00 57.00 57.33 2gcf n GLN 32 Cb 0.43 -1.72 -0.06 0.00 -0.00 0.00 0.00 30.24 28.90 2gcf n GLN 32 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2gcf s SER 33 N -4.84 -0.17 0.55 2.61 0.15 -1.21 -5.00 113.70 105.78 2gcf s SER 33 Ca -0.00 0.28 0.08 0.00 0.70 0.00 0.00 55.95 57.00 2gcf s SER 33 Cb 0.12 0.26 0.08 0.00 -1.71 0.00 0.00 66.02 64.77 2gcf s SER 33 CO 0.81 -0.10 0.64 0.00 1.20 0.00 0.00 173.24 175.79 2gcf n GLN 35 N -2.05 0.00 -3.70 0.00 6.02 -0.13 -4.89 117.38 112.64 2gcf n GLN 35 Ca 0.09 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.96 2gcf n GLN 35 Cb 0.58 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.72 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 -1.90 -0.22 -1.03 5.09 0.11 -1.26 0.04 120.40 121.24 2gcf s VAL 36 Ca 0.00 0.20 -0.05 0.00 -2.93 0.00 0.00 61.98 59.20 2gcf s VAL 36 Cb 0.00 -0.44 0.28 0.00 -1.53 0.00 0.00 36.38 34.70 2gcf s VAL 36 CO 0.00 0.08 1.19 -3.20 -3.33 0.00 0.00 175.10 169.84 2gcf n ASN 37 N 4.74 5.56 -1.10 3.54 2.85 0.23 -4.88 115.26 126.20 2gcf n ASN 37 Ca -0.17 -3.25 0.00 0.00 -0.11 0.00 0.00 54.58 51.06 2gcf n ASN 37 Cb 0.52 -1.22 0.00 0.00 1.24 0.00 0.00 39.78 40.31 2gcf n ASN 37 CO 0.00 0.00 0.00 0.33 -2.11 0.00 0.00 177.26 175.48 2gcf n PHE 38 N 1.90 0.00 0.00 1.20 7.35 -1.26 -0.76 117.46 125.88 2gcf n PHE 38 Ca 0.25 -0.40 0.00 0.00 -0.76 0.00 0.00 57.45 56.54 2gcf n PHE 38 Cb 0.36 -0.24 0.00 0.00 0.35 0.00 0.00 39.48 39.96 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 0.80 1.54 0.37 3.13 0.00 -1.26 -4.78 120.51 120.31 2gcf n ALA 39 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 2gcf n ALA 39 Cb 0.35 0.07 0.03 0.00 0.00 0.00 0.00 19.45 19.90 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 -1.27 1.70 0.00 0.00 7.94 -0.36 -5.04 117.00 119.97 2gcf n LEU 40 Ca 0.00 -0.99 0.00 0.00 -1.11 0.00 0.00 56.01 53.91 2gcf n LEU 40 Cb 0.14 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.09 2gcf n LEU 40 CO 0.00 0.34 0.00 -0.62 -1.11 0.00 0.00 177.39 176.00 2gcf n GLU 41 N 0.45 0.00 -2.57 1.96 1.02 0.06 -5.02 120.64 116.54 2gcf n GLU 41 Ca 0.05 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.82 2gcf n GLU 41 Cb 0.22 -1.86 -0.04 0.00 -0.02 0.00 0.00 31.44 29.73 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 -0.01 4.32 0.08 3.49 0.00 -1.25 -1.68 119.66 124.60 2gcf s GLN 42 Ca 0.00 1.53 0.09 0.00 -0.00 0.00 0.00 55.36 56.98 2gcf s GLN 42 Cb 0.00 -2.70 -0.04 0.00 0.00 0.00 0.00 33.01 30.27 2gcf s GLN 42 CO 0.00 -0.01 -0.20 0.00 0.00 0.00 0.00 175.29 175.08 2gcf s ALA 43 N -1.56 2.54 -0.03 2.60 0.00 0.24 -0.60 121.76 124.96 2gcf s ALA 43 Ca 0.54 -1.29 -0.02 0.00 0.00 0.00 0.00 51.96 51.19 2gcf s ALA 43 Cb -0.23 -0.62 0.01 0.00 0.00 0.00 0.00 23.12 22.28 2gcf s ALA 43 CO 0.29 0.57 0.07 0.54 0.00 0.00 0.00 175.76 177.23 2gcf s VAL 44 N -0.99 -0.02 -0.29 0.00 0.11 0.11 -1.64 120.40 117.68 2gcf s VAL 44 Ca 0.15 0.06 -0.15 0.00 -2.93 0.00 0.00 61.98 59.10 2gcf s VAL 44 Cb -0.10 -0.12 0.13 0.00 -1.53 0.00 0.00 36.38 34.76 2gcf s VAL 44 CO 0.06 0.02 0.88 0.54 -3.33 0.00 0.00 175.10 173.28 2gcf s VAL 45 N 0.34 -0.18 -0.22 2.04 0.11 0.06 -0.95 120.40 121.59 2gcf s VAL 45 Ca -0.03 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 58.96 2gcf s VAL 45 Cb -0.04 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.79 2gcf s VAL 45 CO -0.01 0.00 0.03 -0.55 -3.33 0.00 0.00 175.10 171.24 2gcf s SER 46 N 1.75 4.98 0.00 3.54 0.15 -0.93 -0.50 113.70 122.69 2gcf s SER 46 Ca -0.08 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.37 2gcf s SER 46 Cb -0.05 -1.87 0.00 0.00 -1.71 0.00 0.00 66.02 62.39 2gcf s SER 46 CO -0.17 0.02 0.73 0.00 1.20 0.00 0.00 173.24 175.02 2gcf n TYR 47 N 4.57 0.00 -3.68 3.44 0.18 -1.26 -0.66 117.16 119.75 2gcf n TYR 47 Ca -0.17 0.00 -0.38 0.00 1.88 0.00 0.00 57.90 59.23 2gcf n TYR 47 Cb 0.52 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 39.36 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 0.00 3.18 -0.01 -3.48 0.09 -1.26 -3.98 115.29 109.84 2gcf s HIS 48 Ca 0.00 -0.75 0.01 0.00 -0.00 0.00 0.00 55.06 54.32 2gcf s HIS 48 Cb 0.00 -2.34 0.01 0.00 -0.00 0.00 0.00 32.58 30.25 2gcf s HIS 48 CO 0.00 -0.52 0.72 0.41 -0.00 0.00 0.00 174.74 175.35 2gcf n GLY 49 N 4.95 -0.64 0.00 -2.22 0.00 -1.26 -4.87 105.19 101.15 2gcf n GLY 49 Ca -0.14 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.20 0.00 -1.38 1.61 0.00 -1.26 -5.14 120.64 114.26 2gcf n GLU 50 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 57.16 56.88 2gcf n GLU 50 Cb 0.45 0.00 0.18 0.00 0.00 0.00 0.00 31.44 32.07 2gcf n GLU 50 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.13 177.05 2gcf s THR 51 N 2.25 1.90 -0.24 6.31 -1.32 -1.26 -5.10 115.64 118.17 2gcf s THR 51 Ca 0.00 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.45 2gcf s THR 51 Cb 0.00 -2.65 0.13 0.00 -1.51 0.00 0.00 72.50 68.46 2gcf s THR 51 CO 0.00 0.00 0.35 0.28 -2.21 0.00 0.00 174.62 173.04 2gcf s THR 52 N -3.21 -0.56 0.69 5.08 -1.32 -1.26 -4.89 115.64 110.17 2gcf s THR 52 Ca 0.67 -0.07 -0.11 0.00 -1.21 0.00 0.00 61.69 60.97 2gcf s THR 52 Cb -0.13 -0.79 0.01 0.00 -1.51 0.00 0.00 72.50 70.08 2gcf s THR 52 CO 0.55 -0.13 1.07 -2.16 -2.21 0.00 0.00 174.62 171.74 2gcf s PRO 53 N 2.51 2.97 0.00 7.08 0.04 -1.26 -4.95 135.00 141.40 2gcf s PRO 53 Ca 0.12 0.63 0.02 0.00 0.04 0.00 0.00 61.00 61.80 2gcf s PRO 53 Cb -0.15 -2.02 0.08 0.00 0.04 0.00 0.00 34.50 32.45 2gcf s PRO 53 CO -0.15 -0.99 0.85 0.94 0.04 0.00 0.00 177.00 177.69 2gcf n GLN 54 N -3.01 0.02 0.19 4.56 7.27 -1.26 -3.01 117.38 122.14 2gcf n GLN 54 Ca 0.07 0.27 0.18 0.00 0.07 0.00 0.00 57.00 57.59 2gcf n GLN 54 Cb 0.56 -1.50 0.76 0.00 2.41 0.00 0.00 30.24 32.46 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 0.21 -0.89 1.69 2.04 -1.98 -1.24 117.51 117.33 2gcf h ILE 55 Ca 0.00 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.09 2gcf h ILE 55 Cb 0.01 0.63 -0.16 0.00 -0.74 0.00 0.00 36.82 36.57 2gcf h ILE 55 CO 0.00 0.00 0.07 0.17 0.00 0.00 0.00 178.15 178.39 2gcf h LEU 56 N 0.00 -0.32 0.03 1.44 8.10 -1.94 -2.70 115.31 119.91 2gcf h LEU 56 Ca 0.11 0.24 -0.34 0.00 0.11 0.00 0.00 57.88 58.00 2gcf h LEU 56 Cb 0.95 0.39 -0.05 0.00 -0.44 0.00 0.00 40.66 41.51 2gcf h LEU 56 CO -0.00 -0.26 -2.02 1.07 -4.11 0.00 0.00 178.44 173.13 2gcf n THR 57 N -5.38 1.58 -0.36 0.15 5.66 -0.48 -4.40 114.28 111.05 2gcf n THR 57 Ca 0.20 -0.76 0.32 0.00 -3.05 0.00 0.00 64.05 60.76 2gcf n THR 57 Cb 0.66 -1.10 0.65 0.00 -1.55 0.00 0.00 70.33 68.99 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 0.02 0.20 0.00 1.09 3.58 -1.37 -0.35 116.42 119.58 2gcf h ASP 58 Ca -0.41 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.09 2gcf h ASP 58 Cb 2.06 0.02 0.00 0.00 1.72 0.00 0.00 39.33 43.13 2gcf h ASP 58 CO 0.05 0.01 0.05 0.00 -2.88 0.00 0.00 179.24 176.47 2gcf n ALA 59 N -2.63 0.93 0.10 -0.78 0.00 -1.12 -0.86 120.51 116.14 2gcf n ALA 59 Ca 0.28 0.08 -0.23 0.00 0.00 0.00 0.00 53.44 53.58 2gcf n ALA 59 Cb 1.17 -1.05 -0.14 0.00 0.00 0.00 0.00 19.45 19.44 2gcf n ALA 59 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2gcf h VAL 60 N 0.00 1.29 -0.01 0.00 -1.51 -1.33 -3.34 116.25 111.35 2gcf h VAL 60 Ca 0.00 -2.49 -0.02 0.00 -1.23 0.00 0.00 66.70 62.96 2gcf h VAL 60 Cb 0.10 2.78 -0.00 0.00 -2.13 0.00 0.00 31.29 32.03 2gcf h VAL 60 CO 0.00 0.75 -0.08 -0.33 -1.23 0.00 0.00 177.57 176.68 2gcf h GLU 61 N 0.22 0.01 -0.66 5.19 4.39 -0.87 -1.23 114.58 121.64 2gcf h GLU 61 Ca -0.20 -0.00 0.19 0.00 0.34 0.00 0.00 59.36 59.69 2gcf h GLU 61 Cb 1.94 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.56 2gcf h GLU 61 CO 0.24 0.10 0.89 -0.09 -1.16 0.00 0.00 179.01 178.99 2gcf h ARG 62 N 0.01 0.00 -0.01 2.33 1.12 -1.59 -0.36 114.38 115.88 2gcf h ARG 62 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2gcf h ARG 62 Cb 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.12 2gcf h ARG 62 CO 0.01 0.00 -0.32 0.00 -3.11 0.00 0.00 179.97 176.55 2gcf n ALA 63 N -2.17 3.12 -0.86 2.80 0.00 -0.48 -4.97 120.51 117.95 2gcf n ALA 63 Ca 0.14 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2gcf n ALA 63 Cb 1.11 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 1.08 0.71 3.84 0.00 0.00 -0.15 -5.05 105.19 105.62 2gcf n GLY 64 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.65 1.73 0.01 1.61 2.02 -1.09 -4.97 117.35 114.00 2gcf s TYR 65 Ca 0.00 -0.89 -0.01 0.00 -0.37 0.00 0.00 57.07 55.80 2gcf s TYR 65 Cb 0.00 -1.79 -0.01 0.00 -0.40 0.00 0.00 41.96 39.76 2gcf s TYR 65 CO 0.00 -0.18 0.01 -1.01 -1.57 0.00 0.00 175.55 172.80 2gcf s HIS 66 N -2.82 0.15 0.15 2.71 3.76 0.74 -2.90 115.29 117.09 2gcf s HIS 66 Ca 0.22 -0.31 -0.28 0.00 -0.15 0.00 0.00 55.06 54.54 2gcf s HIS 66 Cb -0.01 -0.11 -0.07 0.00 1.11 0.00 0.00 32.58 33.50 2gcf s HIS 66 CO 0.13 -0.15 0.89 0.00 -0.85 0.00 0.00 174.74 174.77 2gcf s ALA 67 N -1.01 3.33 0.01 -1.40 0.00 -1.26 -0.83 121.76 120.60 2gcf s ALA 67 Ca -0.11 0.51 0.01 0.00 0.00 0.00 0.00 51.96 52.38 2gcf s ALA 67 Cb -0.07 -3.16 -0.01 0.00 0.00 0.00 0.00 23.12 19.88 2gcf s ALA 67 CO -0.00 0.12 -0.05 0.50 0.00 0.00 0.00 175.76 176.33 2gcf s ARG 68 N -0.60 0.36 -0.12 0.00 6.06 0.03 -4.91 118.95 119.78 2gcf s ARG 68 Ca 0.42 -0.31 -0.30 0.00 -2.50 0.00 0.00 55.73 53.05 2gcf s ARG 68 Cb -0.24 -0.28 -0.02 0.00 0.06 0.00 0.00 34.95 34.48 2gcf s ARG 68 CO 0.29 0.07 1.12 0.14 -2.50 0.00 0.00 175.30 174.42 2gcf s VAL 69 N -0.47 4.50 0.87 7.11 -7.23 -1.26 -0.91 120.40 123.02 2gcf s VAL 69 Ca -0.02 1.80 -0.10 0.00 -1.81 0.00 0.00 61.98 61.84 2gcf s VAL 69 Cb -0.04 -4.16 0.19 0.00 0.56 0.00 0.00 36.38 32.93 2gcf s VAL 69 CO -0.00 -0.05 1.18 0.00 -0.31 0.00 0.00 175.10 175.92 2gcf n LEU 70 N 5.56 0.00 -3.94 1.32 -0.00 -1.26 -4.80 117.00 113.88 2gcf n LEU 70 Ca 0.11 -1.65 -0.19 0.00 -0.00 0.00 0.00 56.01 54.28 2gcf n LEU 70 Cb 0.47 -0.86 -0.16 0.00 -0.00 0.00 0.00 43.42 42.87 2gcf n LEU 70 CO 0.54 -1.27 -0.41 -0.54 -0.00 0.00 0.00 177.39 175.71 2gcf s LYS 71 N -5.55 0.73 0.00 1.47 1.02 -1.26 -5.02 119.74 111.13 2gcf s LYS 71 Ca 0.70 -0.18 0.00 0.00 0.02 0.00 0.00 55.97 56.52 2gcf s LYS 71 Cb -0.03 -0.72 0.00 0.00 -0.52 0.00 0.00 37.83 36.56 2gcf s LYS 71 CO 0.48 0.03 0.00 1.04 -0.92 0.00 0.00 175.35 175.98 2gcf n GLN 72 N 3.53 3.72 0.00 1.68 6.02 -1.26 -5.22 117.38 125.86 2gcf n GLN 72 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.79 2gcf n GLN 72 Cb 0.54 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.80 2gcf n GLN 72 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05