#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gpf s THR 2 N 0.00 3.88 -0.93 1.12 2.01 -1.26 -5.04 115.64 115.42 2gpf s THR 2 Ca 0.00 -0.76 -0.20 0.00 0.31 0.00 0.00 61.69 61.03 2gpf s THR 2 Cb 0.00 -3.02 0.10 0.00 0.01 0.00 0.00 72.50 69.59 2gpf s THR 2 CO 0.00 0.06 1.21 -0.94 -0.69 0.00 0.00 174.62 174.26 2gpf s SER 3 N 1.48 6.54 0.03 3.53 1.04 -1.26 -4.80 113.70 120.26 2gpf s SER 3 Ca 0.02 -1.75 0.18 0.00 0.48 0.00 0.00 55.95 54.88 2gpf s SER 3 Cb -0.17 -2.45 -0.16 0.00 0.10 0.00 0.00 66.02 63.33 2gpf s SER 3 CO 0.02 -1.24 0.70 0.52 0.98 0.00 0.00 173.24 174.22 2gpf n VAL 4 N 5.96 0.99 -1.29 5.02 0.31 -1.26 -4.96 118.33 123.10 2gpf n VAL 4 Ca 0.24 -0.67 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 2gpf n VAL 4 Cb 0.49 -0.56 0.00 0.00 -0.91 0.00 0.00 33.84 32.86 2gpf n VAL 4 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 2gpf n PHE 5 N -2.76 -1.62 0.00 3.52 7.35 -1.26 -5.04 117.46 117.65 2gpf n PHE 5 Ca -0.11 0.97 0.00 0.00 -0.76 0.00 0.00 57.45 57.55 2gpf n PHE 5 Cb 0.81 -2.59 0.00 0.00 0.35 0.00 0.00 39.48 38.05 2gpf n PHE 5 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 2gpf n ASP 6 N 0.61 0.00 0.00 -2.13 8.00 -1.26 -4.99 116.55 116.79 2gpf n ASP 6 Ca 0.00 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.64 2gpf n ASP 6 Cb 0.00 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2gpf n ASP 6 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2gpf n ARG 7 N -0.51 0.07 -3.41 -1.24 1.85 -1.26 -5.13 116.66 107.04 2gpf n ARG 7 Ca 0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.47 2gpf n ARG 7 Cb 0.00 -0.03 -0.06 0.00 -1.05 0.00 0.00 32.46 31.32 2gpf n ARG 7 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2gpf s ASP 8 N -0.81 6.80 0.00 2.89 2.15 -1.26 -4.96 116.67 121.49 2gpf s ASP 8 Ca 0.00 0.96 -0.05 0.00 0.43 0.00 0.00 52.55 53.89 2gpf s ASP 8 Cb 0.00 -2.28 -0.23 0.00 -0.30 0.00 0.00 42.92 40.12 2gpf s ASP 8 CO 0.00 0.22 3.22 -0.67 -0.17 0.00 0.00 175.17 177.77 2gpf n ASP 9 N 2.38 4.76 -4.67 -0.34 2.03 -1.26 -4.88 116.55 114.57 2gpf n ASP 9 Ca -0.11 -2.38 -0.41 0.00 0.52 0.00 0.00 54.79 52.40 2gpf n ASP 9 Cb 0.52 -1.27 -0.04 0.00 -0.72 0.00 0.00 41.12 39.61 2gpf n ASP 9 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2gpf s ILE 10 N 1.11 4.90 -0.15 5.18 1.10 -1.26 -5.04 121.20 127.03 2gpf s ILE 10 Ca 0.56 1.61 -0.06 0.00 -0.51 0.00 0.00 60.65 62.25 2gpf s ILE 10 Cb 0.27 -4.12 -0.04 0.00 0.15 0.00 0.00 42.46 38.72 2gpf s ILE 10 CO 0.00 0.04 0.05 -1.10 -2.11 0.00 0.00 174.94 171.82 2gpf s GLN 11 N 2.05 3.68 0.29 3.50 -0.21 -1.26 -2.33 119.66 125.38 2gpf s GLN 11 Ca 0.38 -0.35 0.07 0.00 0.02 0.00 0.00 55.36 55.48 2gpf s GLN 11 Cb -0.17 -3.09 -0.06 0.00 1.00 0.00 0.00 33.01 30.69 2gpf s GLN 11 CO 0.13 0.42 -0.08 -0.06 -2.12 0.00 0.00 175.29 173.58 2gpf s PHE 12 N -0.05 2.04 0.02 0.91 0.08 0.16 -0.85 117.98 120.28 2gpf s PHE 12 Ca 0.06 -0.63 0.00 0.00 0.12 0.00 0.00 56.93 56.47 2gpf s PHE 12 Cb -0.12 -1.14 -0.02 0.00 -0.57 0.00 0.00 43.02 41.17 2gpf s PHE 12 CO 0.01 0.36 -0.03 1.14 -0.10 0.00 0.00 175.22 176.61 2gpf s GLN 13 N -3.69 0.28 -0.23 0.44 -2.07 0.14 -0.85 119.66 113.69 2gpf s GLN 13 Ca 0.30 -0.54 -0.20 0.00 -1.82 0.00 0.00 55.36 53.10 2gpf s GLN 13 Cb 0.03 0.07 -0.02 0.00 -1.09 0.00 0.00 33.01 31.99 2gpf s GLN 13 CO 0.13 -0.04 0.59 0.08 -1.32 0.00 0.00 175.29 174.73 2gpf s VAL 14 N -1.27 5.03 0.08 3.63 1.01 -1.24 -1.16 120.40 126.48 2gpf s VAL 14 Ca -0.14 1.08 0.08 0.00 0.00 0.00 0.00 61.98 63.00 2gpf s VAL 14 Cb -0.09 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 2gpf s VAL 14 CO -0.01 0.09 -0.16 0.68 0.00 0.00 0.00 175.10 175.70 2gpf s VAL 15 N 2.14 2.95 -0.02 2.92 -7.23 -0.28 0.03 120.40 120.91 2gpf s VAL 15 Ca 0.26 -1.31 0.03 0.00 -1.81 0.00 0.00 61.98 59.15 2gpf s VAL 15 Cb -0.16 -2.31 -0.00 0.00 0.56 0.00 0.00 36.38 34.47 2gpf s VAL 15 CO 0.09 0.20 -0.11 0.54 -0.31 0.00 0.00 175.10 175.51 2gpf s VAL 16 N -1.07 0.93 0.82 1.32 0.11 0.57 -0.76 120.40 122.33 2gpf s VAL 16 Ca 0.17 -0.46 -0.09 0.00 -2.93 0.00 0.00 61.98 58.67 2gpf s VAL 16 Cb -0.11 -0.80 0.14 0.00 -1.53 0.00 0.00 36.38 34.08 2gpf s VAL 16 CO 0.09 0.27 1.15 0.21 -3.33 0.00 0.00 175.10 173.49 2gpf s ASN 17 N -0.01 3.93 0.00 3.54 3.84 -0.61 -0.59 114.94 125.04 2gpf s ASN 17 Ca -0.00 0.14 0.17 0.00 0.21 0.00 0.00 52.86 53.38 2gpf s ASN 17 Cb -0.07 -0.44 0.88 0.00 -0.55 0.00 0.00 41.25 41.06 2gpf s ASN 17 CO 0.00 -2.18 1.47 1.41 -2.79 0.00 0.00 177.10 175.01 2gpf n HIS 18 N -3.28 0.00 0.32 0.43 8.25 -1.07 -0.43 115.22 119.45 2gpf n HIS 18 Ca 0.13 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.70 2gpf n HIS 18 Cb 0.60 -0.21 0.27 0.00 1.12 0.00 0.00 29.99 31.76 2gpf n HIS 18 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2gpf n GLU 19 N -1.21 2.33 -2.34 -0.41 1.02 -1.26 -4.93 120.64 113.83 2gpf n GLU 19 Ca 0.09 -2.05 -0.16 0.00 -0.02 0.00 0.00 57.16 55.02 2gpf n GLU 19 Cb 0.11 -1.47 -0.01 0.00 -0.02 0.00 0.00 31.44 30.05 2gpf n GLU 19 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2gpf n GLU 20 N 1.20 -1.92 -3.56 3.49 1.02 0.43 -4.97 120.64 116.32 2gpf n GLU 20 Ca 0.19 0.81 -0.38 0.00 -0.02 0.00 0.00 57.16 57.77 2gpf n GLU 20 Cb 0.51 -5.42 -0.06 0.00 -0.02 0.00 0.00 31.44 26.45 2gpf n GLU 20 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 2gpf s GLN 21 N -4.90 3.88 0.10 3.49 -2.07 -1.26 -4.85 119.66 114.05 2gpf s GLN 21 Ca 0.00 0.29 -0.01 0.00 -1.82 0.00 0.00 55.36 53.82 2gpf s GLN 21 Cb 0.00 -3.24 -0.04 0.00 -1.09 0.00 0.00 33.01 28.63 2gpf s GLN 21 CO 0.00 0.64 0.27 0.71 -1.32 0.00 0.00 175.29 175.59 2gpf s TYR 22 N -0.84 3.50 0.28 9.60 2.02 -1.26 -1.58 117.35 129.07 2gpf s TYR 22 Ca 0.22 0.30 -0.15 0.00 -0.37 0.00 0.00 57.07 57.06 2gpf s TYR 22 Cb -0.15 -1.80 0.01 0.00 -0.40 0.00 0.00 41.96 39.62 2gpf s TYR 22 CO 0.11 0.53 0.58 -1.12 -1.57 0.00 0.00 175.55 174.08 2gpf s SER 23 N -2.67 -0.04 -0.15 2.29 0.01 0.06 -4.99 113.70 108.22 2gpf s SER 23 Ca 0.36 -0.91 -0.01 0.00 1.31 0.00 0.00 55.95 56.70 2gpf s SER 23 Cb -0.12 0.67 -0.02 0.00 0.21 0.00 0.00 66.02 66.76 2gpf s SER 23 CO 0.28 -1.28 -0.10 0.27 0.41 0.00 0.00 173.24 172.81 2gpf s ILE 24 N -3.71 3.23 -0.03 1.44 -4.36 -1.26 -1.12 121.20 115.38 2gpf s ILE 24 Ca 0.19 -0.59 0.03 0.00 -0.26 0.00 0.00 60.65 60.03 2gpf s ILE 24 Cb -0.03 -2.38 -0.00 0.00 1.25 0.00 0.00 42.46 41.30 2gpf s ILE 24 CO 0.10 0.51 -0.13 0.86 0.24 0.00 0.00 174.94 176.51 2gpf s TRP 25 N 0.51 1.34 0.30 1.37 -0.11 -0.31 -4.96 118.94 117.09 2gpf s TRP 25 Ca -0.07 -0.36 -0.30 0.00 1.22 0.00 0.00 56.10 56.59 2gpf s TRP 25 Cb -0.15 -0.92 -0.12 0.00 -1.50 0.00 0.00 33.47 30.78 2gpf s TRP 25 CO 0.04 -0.13 1.49 -2.30 -4.62 0.00 0.00 176.95 171.43 2gpf n PRO 26 N 3.18 2.46 -0.12 5.86 -0.02 -1.26 0.27 135.00 145.37 2gpf n PRO 26 Ca -0.18 0.87 -0.09 0.00 -2.02 0.00 0.00 63.50 62.08 2gpf n PRO 26 Cb 0.54 -2.59 -0.02 0.00 -0.02 0.00 0.00 33.50 31.41 2gpf n PRO 26 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2gpf h GLU 27 N 4.04 0.55 0.00 -0.52 4.81 -1.24 -1.96 114.58 120.25 2gpf h GLU 27 Ca -0.47 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 58.65 2gpf h GLU 27 Cb 1.25 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2gpf h GLU 27 CO 0.74 0.55 0.00 0.10 -0.73 0.00 0.00 179.01 179.66 2gpf h TYR 28 N 0.43 0.00 -3.47 0.92 -0.00 -1.91 -3.43 116.97 109.51 2gpf h TYR 28 Ca 0.12 0.00 -0.54 0.00 -0.00 0.00 0.00 58.73 58.31 2gpf h TYR 28 Cb 0.21 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 36.91 2gpf h TYR 28 CO 0.00 0.00 0.08 0.21 -0.00 0.00 0.00 178.16 178.46 2gpf s LYS 29 N -3.56 4.31 0.01 0.10 2.20 -0.74 -5.03 119.74 117.03 2gpf s LYS 29 Ca 0.02 0.89 -0.30 0.00 -0.36 0.00 0.00 55.97 56.23 2gpf s LYS 29 Cb 0.09 -3.06 -0.03 0.00 -1.51 0.00 0.00 37.83 33.32 2gpf s LYS 29 CO 0.46 0.50 0.96 -2.00 -0.36 0.00 0.00 175.35 174.91 2gpf s GLU 30 N -1.57 4.57 0.27 4.03 2.12 -1.26 -4.80 118.70 122.06 2gpf s GLU 30 Ca 0.38 1.39 -0.22 0.00 0.36 0.00 0.00 54.97 56.88 2gpf s GLU 30 Cb -0.19 -3.45 -0.09 0.00 0.26 0.00 0.00 34.13 30.67 2gpf s GLU 30 CO 0.22 0.00 0.82 0.96 -0.54 0.00 0.00 175.26 176.72 2gpf s ILE 31 N 0.83 4.41 0.69 -3.70 -4.36 -1.26 -5.06 121.20 112.76 2gpf s ILE 31 Ca 0.50 1.52 -0.14 0.00 -0.26 0.00 0.00 60.65 62.26 2gpf s ILE 31 Cb -0.21 -3.91 0.02 0.00 1.25 0.00 0.00 42.46 39.60 2gpf s ILE 31 CO 0.28 0.16 1.13 -2.84 0.24 0.00 0.00 174.94 173.91 2gpf s PRO 32 N -2.06 2.53 -0.05 0.37 0.02 -1.26 -4.96 135.00 129.59 2gpf s PRO 32 Ca 0.47 1.47 -0.30 0.00 0.02 0.00 0.00 61.00 62.66 2gpf s PRO 32 Cb -0.17 -1.91 -0.04 0.00 0.02 0.00 0.00 34.50 32.40 2gpf s PRO 32 CO 0.22 -1.48 1.25 -1.14 -0.33 0.00 0.00 177.00 175.52 2gpf s GLN 33 N -4.13 4.33 0.00 5.54 0.74 -1.26 -2.54 119.66 122.35 2gpf s GLN 33 Ca 0.68 1.74 0.00 0.00 0.05 0.00 0.00 55.36 57.83 2gpf s GLN 33 Cb -0.22 -3.57 0.00 0.00 1.10 0.00 0.00 33.01 30.31 2gpf s GLN 33 CO 0.44 -0.49 0.00 0.41 -0.55 0.00 0.00 175.29 175.10 2gpf n GLY 34 N 3.44 1.19 3.85 2.59 0.00 -1.26 -5.11 105.19 109.89 2gpf n GLY 34 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 2gpf n GLY 34 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2gpf s TRP 35 N -0.58 3.37 0.09 1.61 0.52 -1.05 -2.59 118.94 120.30 2gpf s TRP 35 Ca 0.00 0.17 -0.03 0.00 0.02 0.00 0.00 56.10 56.26 2gpf s TRP 35 Cb 0.00 -1.69 -0.03 0.00 -1.15 0.00 0.00 33.47 30.60 2gpf s TRP 35 CO 0.00 0.56 0.06 -0.98 0.02 0.00 0.00 176.95 176.60 2gpf s ARG 36 N -2.48 0.78 -0.22 4.98 1.70 0.24 -4.88 118.95 119.07 2gpf s ARG 36 Ca 0.32 -1.23 -0.29 0.00 -0.47 0.00 0.00 55.73 54.07 2gpf s ARG 36 Cb -0.13 0.26 -0.03 0.00 -0.57 0.00 0.00 34.95 34.48 2gpf s ARG 36 CO 0.25 -0.20 1.70 0.00 -1.08 0.00 0.00 175.30 175.97 2gpf s ALA 37 N -3.95 3.20 -0.02 7.88 0.00 -1.26 -0.31 121.76 127.31 2gpf s ALA 37 Ca 0.12 0.52 -0.23 0.00 0.00 0.00 0.00 51.96 52.36 2gpf s ALA 37 Cb 0.07 -3.89 -0.16 0.00 0.00 0.00 0.00 23.12 19.14 2gpf s ALA 37 CO -0.06 -2.07 1.09 0.00 0.00 0.00 0.00 175.76 174.71 2gpf h ALA 38 N 11.30 -0.34 -3.00 0.00 0.00 -0.71 -3.46 119.26 123.06 2gpf h ALA 38 Ca -0.35 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2gpf h ALA 38 Cb 1.17 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2gpf h ALA 38 CO 1.00 -0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.20 2gpf n GLY 39 N 0.05 0.59 3.87 0.00 0.00 -1.25 -5.03 105.19 103.42 2gpf n GLY 39 Ca -0.09 0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 2gpf n GLY 39 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2gpf s LYS 40 N 0.96 3.31 0.10 1.61 2.20 -1.26 -4.96 119.74 121.70 2gpf s LYS 40 Ca 0.00 -0.41 0.05 0.00 -0.36 0.00 0.00 55.97 55.24 2gpf s LYS 40 Cb 0.00 -3.00 -0.03 0.00 -1.51 0.00 0.00 37.83 33.28 2gpf s LYS 40 CO 0.00 0.65 -0.12 -1.54 -0.36 0.00 0.00 175.35 173.98 2gpf s SER 41 N -2.05 1.63 0.00 1.43 1.04 -1.26 -3.70 113.70 110.80 2gpf s SER 41 Ca 0.28 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 55.94 2gpf s SER 41 Cb -0.13 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 65.97 2gpf s SER 41 CO 0.20 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.84 2gpf n GLY 42 N 0.71 -0.48 3.92 7.32 0.00 -0.03 -5.00 105.19 111.63 2gpf n GLY 42 Ca -0.17 0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 2gpf n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gpf s LEU 43 N 0.00 2.65 0.18 0.99 2.01 -1.26 0.35 118.68 123.60 2gpf s LEU 43 Ca 0.00 0.43 -0.13 0.00 0.01 0.00 0.00 54.13 54.44 2gpf s LEU 43 Cb 0.00 -2.61 0.15 0.00 0.01 0.00 0.00 46.19 43.74 2gpf s LEU 43 CO 0.00 -2.47 1.78 0.50 1.01 0.00 0.00 176.35 177.17 2gpf h LYS 44 N -1.46 0.49 -0.19 1.70 3.64 -1.78 -1.09 116.57 117.89 2gpf h LYS 44 Ca -0.45 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 58.92 2gpf h LYS 44 Cb 1.26 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 2gpf h LYS 44 CO 0.47 0.33 0.13 1.57 -2.27 0.00 0.00 179.45 179.67 2gpf h LYS 45 N 0.51 0.16 -0.06 1.90 5.09 -1.93 -2.27 116.57 119.97 2gpf h LYS 45 Ca 0.23 -0.01 -0.01 0.00 0.09 0.00 0.00 60.65 60.95 2gpf h LYS 45 Cb 0.15 -0.04 -0.00 0.00 0.10 0.00 0.00 32.23 32.44 2gpf h LYS 45 CO -0.17 0.11 -0.00 0.22 -2.09 0.00 0.00 179.45 177.52 2gpf h ASP 46 N 0.17 0.11 0.02 7.07 1.82 -1.55 -2.48 116.42 121.57 2gpf h ASP 46 Ca 0.08 -0.32 -0.15 0.00 -0.39 0.00 0.00 57.03 56.25 2gpf h ASP 46 Cb 0.11 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.08 2gpf h ASP 46 CO -0.01 0.40 -0.51 0.00 -1.61 0.00 0.00 179.24 177.51 2gpf h LEU 48 N 0.43 -0.08 -0.97 0.00 3.38 -1.40 -1.84 115.31 114.84 2gpf h LEU 48 Ca 0.02 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.09 2gpf h LEU 48 Cb 1.03 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.78 2gpf h LEU 48 CO 0.10 -0.02 0.62 0.00 0.09 0.00 0.00 178.44 179.23 2gpf h ALA 49 N 1.13 1.34 -0.95 1.53 0.00 -1.32 -2.37 119.26 118.63 2gpf h ALA 49 Ca 0.07 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2gpf h ALA 49 Cb 0.09 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 2gpf h ALA 49 CO -0.13 0.39 0.62 -0.92 0.00 0.00 0.00 179.25 179.22 2gpf h TYR 50 N 1.12 1.17 -0.26 0.00 3.20 -0.95 -1.00 116.97 120.25 2gpf h TYR 50 Ca 0.42 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 62.22 2gpf h TYR 50 Cb 0.18 -0.39 -0.01 0.00 1.54 0.00 0.00 36.73 38.04 2gpf h TYR 50 CO -0.01 0.69 -0.26 0.82 -1.64 0.00 0.00 178.16 177.75 2gpf h ILE 51 N 1.22 1.27 -0.19 1.81 5.03 -0.96 -2.60 117.51 123.09 2gpf h ILE 51 Ca 0.37 -1.30 -0.07 0.00 -0.12 0.00 0.00 64.86 63.74 2gpf h ILE 51 Cb -0.04 1.36 -0.01 0.00 -3.03 0.00 0.00 36.82 35.10 2gpf h ILE 51 CO -0.11 0.41 -0.20 -0.33 -0.68 0.00 0.00 178.15 177.24 2gpf h GLU 52 N 0.44 0.33 -0.27 2.37 5.08 -0.90 -3.33 114.58 118.31 2gpf h GLU 52 Ca 0.06 -0.10 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2gpf h GLU 52 Cb 0.69 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.85 2gpf h GLU 52 CO 0.05 0.53 -0.47 0.93 -1.00 0.00 0.00 179.01 179.05 2gpf h GLU 53 N 0.30 -0.38 0.08 2.33 4.39 -0.80 -3.47 114.58 117.03 2gpf h GLU 53 Ca 0.05 0.03 -0.37 0.00 0.34 0.00 0.00 59.36 59.41 2gpf h GLU 53 Cb 0.53 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.23 2gpf h GLU 53 CO 0.04 -0.25 -2.10 1.55 -1.16 0.00 0.00 179.01 177.08 2gpf n VAL 54 N -4.97 1.68 -1.24 3.13 3.14 -1.25 -3.44 118.33 115.38 2gpf n VAL 54 Ca -0.04 -0.59 0.01 0.00 -2.96 0.00 0.00 64.34 60.77 2gpf n VAL 54 Cb 0.30 -1.67 0.02 0.00 -1.06 0.00 0.00 33.84 31.43 2gpf n VAL 54 CO 0.00 0.00 0.00 1.87 -6.46 0.00 0.00 176.83 172.24 2gpf n TRP 55 N -3.50 0.00 -2.29 1.45 -0.00 -1.26 -4.63 117.44 107.21 2gpf n TRP 55 Ca -0.37 -0.20 -0.07 0.00 -0.00 0.00 0.00 57.50 56.86 2gpf n TRP 55 Cb 1.00 -0.04 0.06 0.00 -0.00 0.00 0.00 31.31 32.33 2gpf n TRP 55 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 177.69 175.32 2gpf n THR 56 N -0.26 1.70 -1.55 5.87 5.66 -1.25 -5.09 114.28 119.37 2gpf n THR 56 Ca 0.02 -3.17 -0.44 0.00 -3.05 0.00 0.00 64.05 57.41 2gpf n THR 56 Cb 0.56 0.11 -0.01 0.00 -1.55 0.00 0.00 70.33 69.44 2gpf n THR 56 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2gpf n ASP 57 N -0.57 0.61 -3.58 1.09 5.75 -1.22 -5.00 116.55 113.63 2gpf n ASP 57 Ca 0.22 1.10 -0.02 0.00 -0.01 0.00 0.00 54.79 56.09 2gpf n ASP 57 Cb 0.90 -1.23 -0.06 0.00 -1.03 0.00 0.00 41.12 39.70 2gpf n ASP 57 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 2gpf s MET 58 N -1.58 0.39 0.16 0.11 1.75 -1.26 -5.05 119.30 113.81 2gpf s MET 58 Ca 0.61 0.75 -0.16 0.00 -1.25 0.00 0.00 55.69 55.64 2gpf s MET 58 Cb -0.68 0.21 0.06 0.00 2.84 0.00 0.00 34.83 37.25 2gpf s MET 58 CO 0.59 -0.10 1.78 -0.09 -0.65 0.00 0.00 175.02 176.55 2gpf h ARG 59 N 6.58 0.38 -5.63 4.11 9.65 -1.99 -3.32 114.38 124.16 2gpf h ARG 59 Ca -0.25 -0.02 -0.29 0.00 -1.10 0.00 0.00 59.98 58.32 2gpf h ARG 59 Cb 1.17 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 29.65 2gpf h ARG 59 CO 0.16 0.25 0.86 -2.14 2.80 0.00 0.00 179.97 181.90 2gpf s PRO 60 N -6.15 2.16 0.10 0.20 0.02 -1.26 -4.78 135.00 125.28 2gpf s PRO 60 Ca -0.13 0.55 0.10 0.00 0.02 0.00 0.00 61.00 61.53 2gpf s PRO 60 Cb 0.12 -4.73 -0.18 0.00 0.02 0.00 0.00 34.50 29.74 2gpf s PRO 60 CO 0.72 -3.56 1.14 -0.07 -0.33 0.00 0.00 177.00 174.89 2gpf h LEU 61 N 19.48 0.00 -0.77 -5.54 3.38 -1.99 -2.60 115.31 127.27 2gpf h LEU 61 Ca -0.09 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 2gpf h LEU 61 Cb 1.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 2gpf h LEU 61 CO 1.14 0.91 -0.60 0.28 0.09 0.00 0.00 178.44 180.26 2gpf h SER 62 N 0.00 0.04 -0.04 -0.43 0.02 -1.93 0.70 113.55 111.90 2gpf h SER 62 Ca -0.08 -0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 60.72 2gpf h SER 62 Cb 1.77 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 64.28 2gpf h SER 62 CO 0.11 0.63 -0.39 0.25 -1.14 0.00 0.00 176.83 176.29 2gpf h LEU 63 N 0.03 0.59 0.03 5.07 5.85 -1.94 -3.11 115.31 121.82 2gpf h LEU 63 Ca -0.01 -0.25 -0.24 0.00 0.84 0.00 0.00 57.88 58.22 2gpf h LEU 63 Cb 1.07 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 2gpf h LEU 63 CO 0.08 0.91 -1.12 -0.09 -0.34 0.00 0.00 178.44 177.89 2gpf h ARG 64 N 0.46 0.18 -2.59 1.25 9.65 -1.10 -3.50 114.38 118.73 2gpf h ARG 64 Ca 0.04 -0.29 0.00 0.00 -1.10 0.00 0.00 59.98 58.64 2gpf h ARG 64 Cb 0.88 0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.56 2gpf h ARG 64 CO 0.08 1.12 -0.49 1.04 2.80 0.00 0.00 179.97 184.51 2gpf n GLN 65 N -3.49 -2.86 0.00 0.20 6.02 0.24 -4.92 117.38 112.57 2gpf n GLN 65 Ca -0.05 2.22 0.12 0.00 -0.01 0.00 0.00 57.00 59.28 2gpf n GLN 65 Cb 0.97 -2.19 0.14 0.00 1.02 0.00 0.00 30.24 30.18 2gpf n GLN 65 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 2gpf n HIS 66 N 0.77 0.00 0.19 1.08 1.44 -1.26 -4.30 115.22 113.15 2gpf n HIS 66 Ca 0.00 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.79 2gpf n HIS 66 Cb 0.00 -0.00 0.22 0.00 0.12 0.00 0.00 29.99 30.32 2gpf n HIS 66 CO 0.00 0.00 0.00 1.98 -2.81 0.00 0.00 176.34 175.51 2gpf h MET 67 N 4.36 0.00 0.01 -1.40 -1.53 -1.91 -3.38 114.93 111.08 2gpf h MET 67 Ca 0.00 0.00 -0.00 0.00 -3.44 0.00 0.00 59.70 56.26 2gpf h MET 67 Cb 0.93 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.98 2gpf h MET 67 CO 0.00 0.28 -0.00 -0.44 0.14 0.00 0.00 176.91 176.89 2gpf h ASP 68 N 0.00 -0.01 0.00 1.39 3.32 -1.92 -3.47 116.42 115.72 2gpf h ASP 68 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2gpf h ASP 68 Cb 1.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.62 2gpf h ASP 68 CO 0.04 -0.00 -0.23 0.29 -1.72 0.00 0.00 179.24 177.62 2gpf n LYS 69 N -2.05 0.00 -2.45 3.56 5.02 -1.26 -5.05 118.16 115.93 2gpf n LYS 69 Ca -0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 2gpf n LYS 69 Cb 0.00 -0.12 -0.02 0.00 -0.02 0.00 0.00 35.03 34.87 2gpf n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2gpf s ALA 70 N -2.00 3.47 0.37 7.82 0.00 -1.26 -4.98 121.76 125.18 2gpf s ALA 70 Ca 0.00 0.20 -0.28 0.00 0.00 0.00 0.00 51.96 51.87 2gpf s ALA 70 Cb 0.00 -3.71 -0.11 0.00 0.00 0.00 0.00 23.12 19.30 2gpf s ALA 70 CO 0.00 -1.55 1.48 0.00 0.00 0.00 0.00 175.76 175.69 2gpf s ALA 71 N 4.03 3.58 0.00 0.00 0.00 -1.26 -4.43 121.76 123.68 2gpf s ALA 71 Ca 0.55 1.55 0.00 0.00 0.00 0.00 0.00 51.96 54.05 2gpf s ALA 71 Cb -0.18 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.34 2gpf s ALA 71 CO 0.19 -1.02 0.00 0.41 0.00 0.00 0.00 175.76 175.35