#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 5.28 -0.64 2.03 -1.32 -1.26 -5.02 115.64 114.71 2gpf s THR 2 Ca 0.00 -0.47 0.15 0.00 -1.21 0.00 0.00 61.69 60.17 2gpf s THR 2 Cb 0.00 -3.72 0.54 0.00 -1.51 0.00 0.00 72.50 67.82 2gpf s THR 2 CO 0.00 -0.08 1.46 -1.20 -2.21 0.00 0.00 174.62 172.59 2gpf n SER 3 N -0.44 4.01 -0.07 8.08 7.64 -1.26 -4.53 113.62 127.05 2gpf n SER 3 Ca -0.05 -2.59 -0.10 0.00 1.01 0.00 0.00 58.87 57.13 2gpf n SER 3 Cb 0.53 -0.48 -0.04 0.00 -1.01 0.00 0.00 64.21 63.21 2gpf n SER 3 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2gpf h VAL 4 N 2.64 1.19 -3.70 0.44 2.07 -2.10 -3.49 116.25 113.29 2gpf h VAL 4 Ca 0.00 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.93 2gpf h VAL 4 Cb 1.30 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 2gpf h VAL 4 CO 0.19 0.19 -0.70 0.33 0.02 0.00 0.00 177.57 177.59 2gpf n PHE 5 N -4.77 -3.57 -2.67 1.57 7.35 -1.26 -4.90 117.46 109.22 2gpf n PHE 5 Ca -0.03 2.14 -0.43 0.00 -0.76 0.00 0.00 57.45 58.37 2gpf n PHE 5 Cb 0.15 -3.29 -0.02 0.00 0.35 0.00 0.00 39.48 36.66 2gpf n PHE 5 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2gpf s ASP 6 N -0.41 6.84 -0.34 -2.13 1.11 -1.26 -4.89 116.67 115.59 2gpf s ASP 6 Ca 0.00 0.88 0.15 0.00 0.18 0.00 0.00 52.55 53.76 2gpf s ASP 6 Cb 0.00 -2.53 0.42 0.00 1.07 0.00 0.00 42.92 41.88 2gpf s ASP 6 CO 0.00 -0.93 0.88 -2.11 1.18 0.00 0.00 175.17 174.20 2gpf n ARG 7 N 6.99 1.08 -1.37 8.23 0.00 -1.26 -5.02 116.66 125.30 2gpf n ARG 7 Ca 0.11 -3.24 -0.39 0.00 -0.00 0.00 0.00 57.85 54.34 2gpf n ARG 7 Cb 0.48 -1.37 -0.02 0.00 -0.00 0.00 0.00 32.46 31.54 2gpf n ARG 7 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2gpf n ASP 8 N 0.06 5.26 -4.35 2.89 9.92 -1.26 -4.83 116.55 124.25 2gpf n ASP 8 Ca 0.14 -2.66 -0.40 0.00 -0.53 0.00 0.00 54.79 51.35 2gpf n ASP 8 Cb 0.76 -1.46 -0.12 0.00 -0.64 0.00 0.00 41.12 39.66 2gpf n ASP 8 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 2gpf s ASP 9 N 3.22 5.61 -0.36 -2.24 1.01 -1.26 -5.06 116.67 117.58 2gpf s ASP 9 Ca 0.55 -1.04 -0.15 0.00 0.71 0.00 0.00 52.55 52.62 2gpf s ASP 9 Cb 0.15 -1.98 -0.00 0.00 1.01 0.00 0.00 42.92 42.09 2gpf s ASP 9 CO -0.04 -0.37 0.36 -0.51 0.21 0.00 0.00 175.17 174.83 2gpf s ILE 10 N 1.51 5.17 0.11 0.77 2.07 -1.26 -5.06 121.20 124.51 2gpf s ILE 10 Ca 0.01 -0.08 -0.05 0.00 -1.41 0.00 0.00 60.65 59.12 2gpf s ILE 10 Cb -0.19 -3.86 -0.05 0.00 0.13 0.00 0.00 42.46 38.49 2gpf s ILE 10 CO 0.06 -0.16 0.35 -1.10 -1.91 0.00 0.00 174.94 172.18 2gpf s GLN 11 N 2.00 3.60 0.41 3.50 -0.21 -1.26 -4.49 119.66 123.21 2gpf s GLN 11 Ca 0.11 -0.11 0.04 0.00 0.02 0.00 0.00 55.36 55.42 2gpf s GLN 11 Cb -0.17 -2.91 -0.02 0.00 1.00 0.00 0.00 33.01 30.91 2gpf s GLN 11 CO 0.12 0.51 0.14 -0.06 -2.12 0.00 0.00 175.29 173.88 2gpf s PHE 12 N -1.58 1.78 0.07 0.91 0.08 0.30 -0.70 117.98 118.84 2gpf s PHE 12 Ca 0.38 -1.31 -0.07 0.00 0.12 0.00 0.00 56.93 56.05 2gpf s PHE 12 Cb -0.12 -1.14 -0.01 0.00 -0.57 0.00 0.00 43.02 41.18 2gpf s PHE 12 CO 0.24 -0.33 0.14 1.14 -0.10 0.00 0.00 175.22 176.31 2gpf s GLN 13 N -3.69 0.77 -0.19 0.44 -2.07 0.19 -0.38 119.66 114.74 2gpf s GLN 13 Ca 0.24 -0.97 -0.14 0.00 -1.82 0.00 0.00 55.36 52.67 2gpf s GLN 13 Cb 0.02 0.31 -0.04 0.00 -1.09 0.00 0.00 33.01 32.20 2gpf s GLN 13 CO 0.15 -0.23 0.30 0.08 -1.32 0.00 0.00 175.29 174.27 2gpf s VAL 14 N -3.69 5.29 0.05 3.63 1.01 -1.24 -0.58 120.40 124.86 2gpf s VAL 14 Ca 0.04 0.53 0.07 0.00 0.00 0.00 0.00 61.98 62.62 2gpf s VAL 14 Cb 0.05 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 2gpf s VAL 14 CO -0.10 0.34 -0.18 0.68 0.00 0.00 0.00 175.10 175.84 2gpf s VAL 15 N 0.82 2.79 -0.07 2.92 -7.23 0.47 0.36 120.40 120.46 2gpf s VAL 15 Ca 0.16 -1.21 0.05 0.00 -1.81 0.00 0.00 61.98 59.17 2gpf s VAL 15 Cb -0.13 -2.18 -0.01 0.00 0.56 0.00 0.00 36.38 34.62 2gpf s VAL 15 CO 0.05 0.32 -0.24 0.54 -0.31 0.00 0.00 175.10 175.46 2gpf s VAL 16 N -0.94 2.01 0.62 1.32 0.11 0.27 -0.86 120.40 122.94 2gpf s VAL 16 Ca 0.15 -1.03 -0.02 0.00 -2.93 0.00 0.00 61.98 58.14 2gpf s VAL 16 Cb -0.10 -1.71 0.05 0.00 -1.53 0.00 0.00 36.38 33.08 2gpf s VAL 16 CO 0.05 0.56 0.89 0.21 -3.33 0.00 0.00 175.10 173.48 2gpf s ASN 17 N -0.02 5.04 0.00 3.54 2.47 -0.98 -1.97 114.94 123.02 2gpf s ASN 17 Ca -0.07 0.19 0.14 0.00 0.42 0.00 0.00 52.86 53.53 2gpf s ASN 17 Cb -0.15 -0.96 0.75 0.00 -1.45 0.00 0.00 41.25 39.44 2gpf s ASN 17 CO 0.05 -1.37 1.34 0.00 -3.72 0.00 0.00 177.10 173.41 2gpf n HIS 18 N -2.62 0.00 -0.04 0.43 1.44 -1.23 -0.08 115.22 113.13 2gpf n HIS 18 Ca 0.08 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.90 2gpf n HIS 18 Cb 0.60 -0.20 0.28 0.00 0.12 0.00 0.00 29.99 30.79 2gpf n HIS 18 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 2gpf n GLU 19 N -1.20 2.49 -3.78 -1.40 4.71 -1.26 -4.95 120.64 115.26 2gpf n GLU 19 Ca 0.08 -2.32 -0.29 0.00 -0.01 0.00 0.00 57.16 54.62 2gpf n GLU 19 Cb 0.09 -1.50 0.03 0.00 -1.01 0.00 0.00 31.44 29.05 2gpf n GLU 19 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 2gpf n GLU 20 N 1.39 -5.36 -3.75 3.49 0.28 0.89 -4.98 120.64 112.61 2gpf n GLU 20 Ca 0.22 0.62 -0.33 0.00 -0.16 0.00 0.00 57.16 57.51 2gpf n GLU 20 Cb 0.55 -5.50 -0.05 0.00 1.43 0.00 0.00 31.44 27.87 2gpf n GLU 20 CO 0.00 0.00 0.00 1.14 -0.16 0.00 0.00 177.13 178.11 2gpf s GLN 21 N -6.48 3.58 -0.21 3.44 -2.07 -1.26 -4.86 119.66 111.79 2gpf s GLN 21 Ca 0.61 -0.14 -0.05 0.00 -1.82 0.00 0.00 55.36 53.96 2gpf s GLN 21 Cb -0.30 -2.97 -0.02 0.00 -1.09 0.00 0.00 33.01 28.63 2gpf s GLN 21 CO 0.75 0.56 0.01 0.71 -1.32 0.00 0.00 175.29 176.00 2gpf s TYR 22 N -1.50 3.03 0.34 9.60 2.02 -1.26 -2.31 117.35 127.26 2gpf s TYR 22 Ca 0.35 -0.55 0.03 0.00 -0.37 0.00 0.00 57.07 56.53 2gpf s TYR 22 Cb -0.13 -2.12 -0.04 0.00 -0.40 0.00 0.00 41.96 39.27 2gpf s TYR 22 CO 0.22 -0.33 0.12 -1.12 -1.57 0.00 0.00 175.55 172.87 2gpf s SER 23 N 1.22 2.09 0.13 2.29 0.01 -0.04 -4.98 113.70 114.41 2gpf s SER 23 Ca 0.03 -1.52 0.08 0.00 1.31 0.00 0.00 55.95 55.85 2gpf s SER 23 Cb -0.15 0.27 -0.04 0.00 0.21 0.00 0.00 66.02 66.32 2gpf s SER 23 CO 0.01 -0.81 -0.09 0.27 0.41 0.00 0.00 173.24 173.03 2gpf s ILE 24 N -3.43 3.34 -0.11 1.44 -4.36 -1.26 -0.39 121.20 116.42 2gpf s ILE 24 Ca 0.32 -1.38 -0.09 0.00 -0.26 0.00 0.00 60.65 59.25 2gpf s ILE 24 Cb 0.06 -2.59 0.04 0.00 1.25 0.00 0.00 42.46 41.21 2gpf s ILE 24 CO 0.15 0.04 0.28 0.86 0.24 0.00 0.00 174.94 176.52 2gpf s TRP 25 N -1.36 -0.34 0.36 1.37 -0.11 0.25 -4.85 118.94 114.25 2gpf s TRP 25 Ca 0.23 0.81 -0.28 0.00 1.22 0.00 0.00 56.10 58.08 2gpf s TRP 25 Cb -0.10 0.11 -0.10 0.00 -1.50 0.00 0.00 33.47 31.87 2gpf s TRP 25 CO 0.14 -0.19 1.40 -2.14 -4.62 0.00 0.00 176.95 171.54 2gpf s PRO 26 N 0.55 4.19 0.56 5.86 0.02 -1.26 0.57 135.00 145.49 2gpf s PRO 26 Ca -0.03 2.39 0.27 0.00 0.02 0.00 0.00 61.00 63.65 2gpf s PRO 26 Cb -0.05 -2.99 1.63 0.00 0.02 0.00 0.00 34.50 33.12 2gpf s PRO 26 CO -0.03 -0.39 2.18 1.49 -0.33 0.00 0.00 177.00 179.92 2gpf h GLU 27 N 3.12 0.00 -0.01 5.54 4.57 -1.17 -2.29 114.58 124.34 2gpf h GLU 27 Ca -0.50 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 2gpf h GLU 27 Cb 1.23 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 2gpf h GLU 27 CO 0.64 0.05 -0.17 0.66 -1.18 0.00 0.00 179.01 179.02 2gpf n TYR 28 N -3.86 0.00 -4.38 0.92 4.01 -1.26 -4.85 117.16 107.74 2gpf n TYR 28 Ca -0.03 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.40 2gpf n TYR 28 Cb 0.14 -0.13 -0.10 0.00 -0.31 0.00 0.00 39.34 38.94 2gpf n TYR 28 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2gpf s LYS 29 N -2.42 2.44 0.25 -0.72 1.02 -0.86 -5.10 119.74 114.35 2gpf s LYS 29 Ca 0.28 -0.81 -0.30 0.00 0.02 0.00 0.00 55.97 55.16 2gpf s LYS 29 Cb 0.20 -2.45 -0.09 0.00 -0.52 0.00 0.00 37.83 34.97 2gpf s LYS 29 CO 0.48 0.57 1.15 -2.00 -0.92 0.00 0.00 175.35 174.63 2gpf s GLU 30 N -1.69 4.56 0.18 1.68 2.12 -1.26 -4.86 118.70 119.43 2gpf s GLU 30 Ca 0.19 1.86 -0.30 0.00 0.36 0.00 0.00 54.97 57.08 2gpf s GLU 30 Cb -0.11 -3.20 -0.08 0.00 0.26 0.00 0.00 34.13 31.00 2gpf s GLU 30 CO 0.10 0.07 1.07 0.42 -0.54 0.00 0.00 175.26 176.38 2gpf s ILE 31 N -0.75 3.94 0.39 -3.70 1.01 -1.26 -5.00 121.20 115.82 2gpf s ILE 31 Ca 0.48 1.70 -0.27 0.00 0.00 0.00 0.00 60.65 62.55 2gpf s ILE 31 Cb -0.33 -4.08 -0.11 0.00 0.01 0.00 0.00 42.46 37.95 2gpf s ILE 31 CO 0.40 0.30 1.43 -2.65 0.00 0.00 0.00 174.94 174.43 2gpf n PRO 32 N 2.28 2.46 -1.85 2.79 -0.02 -1.26 -4.90 135.00 134.49 2gpf n PRO 32 Ca 0.02 0.86 -0.42 0.00 -2.02 0.00 0.00 63.50 61.94 2gpf n PRO 32 Cb 0.46 -2.59 -0.03 0.00 -0.02 0.00 0.00 33.50 31.32 2gpf n PRO 32 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 2gpf s GLN 33 N -2.15 4.17 0.00 -0.52 -2.07 -1.26 -2.36 119.66 115.47 2gpf s GLN 33 Ca 0.56 2.40 0.00 0.00 -1.82 0.00 0.00 55.36 56.50 2gpf s GLN 33 Cb -0.49 -3.86 0.00 0.00 -1.09 0.00 0.00 33.01 27.57 2gpf s GLN 33 CO 0.62 -0.84 0.00 0.41 -1.32 0.00 0.00 175.29 174.16 2gpf n GLY 34 N 4.21 1.45 3.57 2.60 0.00 -1.26 -5.11 105.19 110.64 2gpf n GLY 34 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.45 2.47 0.09 1.61 0.52 -0.99 -3.53 118.94 117.65 2gpf s TRP 35 Ca 0.00 -0.38 -0.03 0.00 0.02 0.00 0.00 56.10 55.70 2gpf s TRP 35 Cb 0.00 -1.27 -0.03 0.00 -1.15 0.00 0.00 33.47 31.02 2gpf s TRP 35 CO 0.00 0.59 0.06 -0.98 0.02 0.00 0.00 176.95 176.65 2gpf s ARG 36 N -3.63 0.79 0.25 4.98 1.70 -0.83 -4.89 118.95 117.31 2gpf s ARG 36 Ca 0.32 -1.22 -0.28 0.00 -0.47 0.00 0.00 55.73 54.09 2gpf s ARG 36 Cb -0.02 0.26 -0.09 0.00 -0.57 0.00 0.00 34.95 34.53 2gpf s ARG 36 CO 0.18 -0.21 0.91 0.00 -1.08 0.00 0.00 175.30 175.09 2gpf s ALA 37 N -3.94 3.32 0.16 7.88 0.00 -1.26 -0.57 121.76 127.35 2gpf s ALA 37 Ca 0.12 0.53 -0.11 0.00 0.00 0.00 0.00 51.96 52.49 2gpf s ALA 37 Cb 0.07 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 20.05 2gpf s ALA 37 CO -0.06 0.22 0.34 0.00 0.00 0.00 0.00 175.76 176.26 2gpf s ALA 38 N -1.32 -0.31 0.00 0.00 0.00 0.16 -4.87 121.76 115.42 2gpf s ALA 38 Ca 0.43 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.74 2gpf s ALA 38 Cb -0.23 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.71 2gpf s ALA 38 CO 0.28 -0.68 0.00 0.41 0.00 0.00 0.00 175.76 175.78 2gpf n GLY 39 N -0.23 2.18 3.20 0.00 0.00 -1.26 -3.73 105.19 105.34 2gpf n GLY 39 Ca -0.09 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 1.14 0.03 1.61 2.20 -1.26 -5.01 119.74 118.44 2gpf s LYS 40 Ca 0.00 -0.87 0.00 0.00 -0.36 0.00 0.00 55.97 54.74 2gpf s LYS 40 Cb 0.00 -1.22 -0.04 0.00 -1.51 0.00 0.00 37.83 35.07 2gpf s LYS 40 CO 0.00 0.30 0.12 -1.12 -0.36 0.00 0.00 175.35 174.29 2gpf s SER 41 N -1.22 5.86 0.00 1.43 0.01 -1.26 -3.68 113.70 114.84 2gpf s SER 41 Ca 0.04 0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.46 2gpf s SER 41 Cb -0.08 -1.71 0.00 0.00 0.21 0.00 0.00 66.02 64.44 2gpf s SER 41 CO 0.02 0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.51 2gpf n GLY 42 N 0.83 -0.58 3.77 3.44 0.00 0.49 -4.97 105.19 108.18 2gpf n GLY 42 Ca -0.10 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 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 2.09 0.20 0.99 2.01 -1.26 0.11 118.68 122.81 2gpf s LEU 43 Ca 0.00 1.09 -0.10 0.00 0.01 0.00 0.00 54.13 55.13 2gpf s LEU 43 Cb 0.00 -3.46 0.13 0.00 0.01 0.00 0.00 46.19 42.87 2gpf s LEU 43 CO 0.00 -2.51 1.79 0.50 1.01 0.00 0.00 176.35 177.14 2gpf h LYS 44 N -1.47 1.04 -0.20 1.70 3.64 -1.94 -1.87 116.57 117.47 2gpf h LYS 44 Ca -0.50 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 58.73 2gpf h LYS 44 Cb 1.32 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 2gpf h LYS 44 CO 0.60 0.81 0.12 1.57 -2.27 0.00 0.00 179.45 180.28 2gpf h LYS 45 N 1.01 0.26 -0.41 1.90 5.09 -1.93 0.24 116.57 122.73 2gpf h LYS 45 Ca 0.25 -0.02 -0.11 0.00 0.09 0.00 0.00 60.65 60.86 2gpf h LYS 45 Cb 0.12 -0.06 -0.01 0.00 0.10 0.00 0.00 32.23 32.37 2gpf h LYS 45 CO -0.03 0.19 -0.20 -0.44 -2.09 0.00 0.00 179.45 176.88 2gpf h ASP 46 N 0.27 0.82 -0.17 7.07 3.32 -1.71 -1.30 116.42 124.72 2gpf h ASP 46 Ca 0.07 -0.29 -0.18 0.00 0.02 0.00 0.00 57.03 56.66 2gpf h ASP 46 Cb -0.01 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 39.32 2gpf h ASP 46 CO -0.01 1.00 -0.59 0.00 -1.72 0.00 0.00 179.24 177.91 2gpf h LEU 48 N 0.39 -0.16 -0.51 0.00 3.38 -0.51 -1.84 115.31 116.07 2gpf h LEU 48 Ca -0.03 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.00 2gpf h LEU 48 Cb 1.22 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.97 2gpf h LEU 48 CO 0.13 -0.10 0.26 0.00 0.09 0.00 0.00 178.44 178.81 2gpf h ALA 49 N 0.73 0.65 0.04 1.53 0.00 -1.26 -2.51 119.26 118.43 2gpf h ALA 49 Ca -0.01 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2gpf h ALA 49 Cb 0.14 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2gpf h ALA 49 CO 0.01 -0.09 -0.10 -0.92 0.00 0.00 0.00 179.25 178.15 2gpf h TYR 50 N 0.50 -0.25 -0.35 0.00 3.20 -1.08 -2.61 116.97 116.37 2gpf h TYR 50 Ca 0.22 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.08 2gpf h TYR 50 Cb 0.14 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 2gpf h TYR 50 CO -0.10 -0.15 0.15 0.82 -1.64 0.00 0.00 178.16 177.24 2gpf h ILE 51 N -0.19 1.13 -0.65 1.81 5.03 -1.18 -1.98 117.51 121.49 2gpf h ILE 51 Ca 0.03 -0.41 0.01 0.00 -0.12 0.00 0.00 64.86 64.37 2gpf h ILE 51 Cb 0.21 0.70 -0.03 0.00 -3.03 0.00 0.00 36.82 34.67 2gpf h ILE 51 CO -0.07 0.16 0.43 -0.08 -0.68 0.00 0.00 178.15 177.90 2gpf h GLU 52 N 0.50 0.84 -0.07 2.37 4.57 -1.09 -3.30 114.58 118.40 2gpf h GLU 52 Ca 0.12 -0.05 0.02 0.00 -1.18 0.00 0.00 59.36 58.28 2gpf h GLU 52 Cb 0.09 -0.19 -0.05 0.00 -0.16 0.00 0.00 28.75 28.43 2gpf h GLU 52 CO -0.01 0.56 -0.49 0.93 -1.18 0.00 0.00 179.01 178.82 2gpf h GLU 53 N 0.87 -0.54 0.00 1.92 4.39 -1.08 -3.43 114.58 116.70 2gpf h GLU 53 Ca 0.24 0.04 -0.22 0.00 0.34 0.00 0.00 59.36 59.76 2gpf h GLU 53 Cb -0.08 0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.66 2gpf h GLU 53 CO -0.06 -0.36 -1.33 -0.24 -1.16 0.00 0.00 179.01 175.86 2gpf h VAL 54 N -0.56 0.95 -3.31 3.13 3.04 -1.69 -3.43 116.25 114.37 2gpf h VAL 54 Ca 0.02 -2.62 -0.65 0.00 -1.01 0.00 0.00 66.70 62.45 2gpf h VAL 54 Cb 0.63 2.41 -0.15 0.00 -2.01 0.00 0.00 31.29 32.17 2gpf h VAL 54 CO -0.36 0.54 -0.72 0.86 -1.01 0.00 0.00 177.57 176.88 2gpf s TRP 55 N -2.75 2.73 -0.03 3.17 -0.11 -1.26 -4.55 118.94 116.13 2gpf s TRP 55 Ca -0.02 -0.17 -0.02 0.00 1.22 0.00 0.00 56.10 57.11 2gpf s TRP 55 Cb 0.09 -1.39 0.01 0.00 -1.50 0.00 0.00 33.47 30.68 2gpf s TRP 55 CO 0.81 0.46 0.07 -0.08 -4.62 0.00 0.00 176.95 173.60 2gpf s THR 56 N -1.42 -0.01 0.00 5.86 -1.32 -1.26 -4.99 115.64 112.49 2gpf s THR 56 Ca 0.23 0.05 0.00 0.00 -1.21 0.00 0.00 61.69 60.77 2gpf s THR 56 Cb -0.10 -0.12 0.00 0.00 -1.51 0.00 0.00 72.50 70.77 2gpf s THR 56 CO 0.15 0.02 0.00 -0.67 -2.21 0.00 0.00 174.62 171.91 2gpf n ASP 57 N 3.36 0.00 -0.10 8.08 2.03 -1.26 -4.93 116.55 123.73 2gpf n ASP 57 Ca -0.16 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 54.96 2gpf n ASP 57 Cb 0.57 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.86 2gpf n ASP 57 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 2gpf h MET 58 N 0.00 0.00 -2.43 -0.67 2.86 -2.02 -3.48 114.93 109.19 2gpf h MET 58 Ca 0.00 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 2gpf h MET 58 Cb 0.00 0.00 -0.24 0.00 0.06 0.00 0.00 31.60 31.42 2gpf h MET 58 CO 0.00 0.90 -0.18 0.50 1.06 0.00 0.00 176.91 179.19 2gpf s ARG 59 N -2.32 0.52 -0.83 1.72 3.52 -1.26 -5.10 118.95 115.20 2gpf s ARG 59 Ca -0.26 0.92 -0.26 0.00 -0.13 0.00 0.00 55.73 56.00 2gpf s ARG 59 Cb 0.04 0.06 0.03 0.00 -1.56 0.00 0.00 34.95 33.53 2gpf s ARG 59 CO 0.56 -0.15 1.42 -1.25 -0.81 0.00 0.00 175.30 175.07 2gpf s PRO 60 N 1.34 3.25 0.00 5.12 0.04 -1.26 -4.84 135.00 138.64 2gpf s PRO 60 Ca -0.09 -0.47 0.18 0.00 0.04 0.00 0.00 61.00 60.67 2gpf s PRO 60 Cb -0.07 -4.63 1.09 0.00 0.04 0.00 0.00 34.50 30.93 2gpf s PRO 60 CO -0.13 -2.28 1.50 1.47 0.04 0.00 0.00 177.00 177.60 2gpf n LEU 61 N 9.72 0.00 0.00 -3.56 -0.00 -1.26 -1.73 117.00 120.16 2gpf n LEU 61 Ca 0.16 0.00 0.02 0.00 -0.00 0.00 0.00 56.01 56.19 2gpf n LEU 61 Cb 0.50 0.00 0.08 0.00 -0.00 0.00 0.00 43.42 44.00 2gpf n LEU 61 CO 0.69 0.00 0.54 -1.54 -0.00 0.00 0.00 177.39 177.08 2gpf n SER 62 N -0.96 0.00 0.29 1.45 3.41 -1.26 -1.82 113.62 114.73 2gpf n SER 62 Ca 0.14 0.46 0.14 0.00 -0.26 0.00 0.00 58.87 59.34 2gpf n SER 62 Cb 0.06 -0.46 0.86 0.00 -0.26 0.00 0.00 64.21 64.41 2gpf n SER 62 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 2gpf h LEU 63 N 0.00 0.00 -0.96 1.04 8.10 -1.75 -0.27 115.31 121.47 2gpf h LEU 63 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 2gpf h LEU 63 Cb 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.28 2gpf h LEU 63 CO 0.00 0.03 0.00 0.08 -4.11 0.00 0.00 178.44 174.44 2gpf h ARG 64 N 0.00 0.00 -0.01 0.17 0.11 -1.64 -0.70 114.38 112.31 2gpf h ARG 64 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2gpf h ARG 64 Cb 0.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.15 2gpf h ARG 64 CO 0.00 0.00 -0.02 1.04 0.10 0.00 0.00 179.97 181.10 2gpf n GLN 65 N -2.72 1.43 0.17 0.08 1.13 -0.11 -2.70 117.38 114.66 2gpf n GLN 65 Ca 0.02 -0.69 0.12 0.00 -1.94 0.00 0.00 57.00 54.51 2gpf n GLN 65 Cb 0.31 -1.49 0.21 0.00 0.11 0.00 0.00 30.24 29.38 2gpf n GLN 65 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2gpf h HIS 66 N 1.67 0.00 -0.09 1.08 3.86 -1.15 -1.12 115.15 119.40 2gpf h HIS 66 Ca 0.00 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.02 2gpf h HIS 66 Cb 0.38 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.85 2gpf h HIS 66 CO 0.00 0.00 -0.75 0.52 0.86 0.00 0.00 177.93 178.56 2gpf h MET 67 N 0.00 0.49 0.00 2.45 2.86 -1.60 -3.35 114.93 115.78 2gpf h MET 67 Ca 0.00 -0.40 0.00 0.00 -2.06 0.00 0.00 59.70 57.24 2gpf h MET 67 Cb 0.93 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.67 2gpf h MET 67 CO 0.00 1.04 0.00 -3.47 1.06 0.00 0.00 176.91 175.54 2gpf n ASP 68 N -3.85 0.00 0.00 1.22 2.03 -1.16 -5.00 116.55 109.78 2gpf n ASP 68 Ca -0.05 0.69 0.00 0.00 0.52 0.00 0.00 54.79 55.94 2gpf n ASP 68 Cb 0.72 -0.37 0.00 0.00 -0.72 0.00 0.00 41.12 40.75 2gpf n ASP 68 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2gpf n LYS 69 N -1.61 0.00 -1.02 -0.67 4.76 -0.81 -5.04 118.16 113.77 2gpf n LYS 69 Ca 0.00 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.43 2gpf n LYS 69 Cb 0.00 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.18 2gpf n LYS 69 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2gpf n ALA 70 N -1.44 2.68 -1.65 7.82 0.00 -1.15 -4.68 120.51 122.10 2gpf n ALA 70 Ca 0.00 -1.24 -0.15 0.00 0.00 0.00 0.00 53.44 52.05 2gpf n ALA 70 Cb 0.00 -0.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.94 2gpf n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gpf n ALA 71 N 0.18 -0.28 -1.73 0.00 0.00 -0.49 -4.88 120.51 113.32 2gpf n ALA 71 Ca -0.07 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2gpf n ALA 71 Cb 0.83 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.67 2gpf n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91