#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 2.15 -0.11 2.03 -1.32 -1.26 -4.95 115.64 112.17 2gpf s THR 2 Ca 0.00 0.13 -0.05 0.00 -1.21 0.00 0.00 61.69 60.55 2gpf s THR 2 Cb 0.00 -3.07 -0.04 0.00 -1.51 0.00 0.00 72.50 67.88 2gpf s THR 2 CO 0.00 0.01 0.09 -0.55 -2.21 0.00 0.00 174.62 171.96 2gpf s SER 3 N -0.64 5.93 0.50 8.08 0.15 -1.26 -4.98 113.70 121.48 2gpf s SER 3 Ca 0.63 0.33 0.29 0.00 0.70 0.00 0.00 55.95 57.89 2gpf s SER 3 Cb -0.42 -1.85 1.25 0.00 -1.71 0.00 0.00 66.02 63.29 2gpf s SER 3 CO 0.53 0.39 1.96 1.62 1.20 0.00 0.00 173.24 178.93 2gpf h VAL 4 N 4.09 0.38 -3.30 4.45 3.04 -2.07 -3.36 116.25 119.47 2gpf h VAL 4 Ca -0.52 -0.76 -0.73 0.00 -1.01 0.00 0.00 66.70 63.67 2gpf h VAL 4 Cb 1.21 1.56 -0.26 0.00 -2.01 0.00 0.00 31.29 31.79 2gpf h VAL 4 CO 0.57 0.13 -0.37 -0.36 -1.01 0.00 0.00 177.57 176.53 2gpf s PHE 5 N -3.81 3.33 -1.10 3.17 0.08 -1.26 -5.01 117.98 113.37 2gpf s PHE 5 Ca -0.00 -1.46 -0.19 0.00 0.12 0.00 0.00 56.93 55.40 2gpf s PHE 5 Cb 0.11 -3.34 0.10 0.00 -0.57 0.00 0.00 43.02 39.32 2gpf s PHE 5 CO 0.59 -0.92 1.44 0.34 -0.10 0.00 0.00 175.22 176.56 2gpf s ASP 6 N 2.69 6.73 -0.58 1.36 -1.08 -1.26 -4.82 116.67 119.71 2gpf s ASP 6 Ca 0.04 -2.16 0.06 0.00 -0.52 0.00 0.00 52.55 49.97 2gpf s ASP 6 Cb -0.26 -2.49 0.25 0.00 -1.46 0.00 0.00 42.92 38.96 2gpf s ASP 6 CO 0.02 -1.16 0.70 -1.14 0.52 0.00 0.00 175.17 174.12 2gpf n ARG 7 N 7.51 2.14 0.00 4.34 0.00 -1.26 -4.63 116.66 124.75 2gpf n ARG 7 Ca 0.35 -4.35 0.00 0.00 -0.00 0.00 0.00 57.85 53.85 2gpf n ARG 7 Cb 0.48 -2.02 0.00 0.00 0.00 0.00 0.00 32.46 30.91 2gpf n ARG 7 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 2gpf n ASP 8 N 0.94 0.00 -0.94 6.15 5.75 -1.26 -5.15 116.55 122.04 2gpf n ASP 8 Ca 0.28 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.06 2gpf n ASP 8 Cb 0.44 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 2gpf n ASP 8 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2gpf n ASP 9 N -0.59 -3.92 -2.26 -1.12 2.03 -1.26 -4.99 116.55 104.44 2gpf n ASP 9 Ca 0.00 0.38 -0.02 0.00 0.52 0.00 0.00 54.79 55.67 2gpf n ASP 9 Cb 0.00 -2.12 0.00 0.00 -0.72 0.00 0.00 41.12 38.28 2gpf n ASP 9 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2gpf n ILE 10 N 0.53 -7.73 -3.40 5.18 0.13 -1.26 -4.95 119.36 107.86 2gpf n ILE 10 Ca 0.00 0.84 -0.29 0.00 -1.10 0.00 0.00 62.75 62.20 2gpf n ILE 10 Cb 0.00 -5.85 -0.04 0.00 -0.84 0.00 0.00 39.64 32.91 2gpf n ILE 10 CO 0.00 0.00 0.00 -1.10 2.80 0.00 0.00 176.55 178.25 2gpf s GLN 11 N -1.42 3.66 0.45 9.51 1.11 -1.26 -4.44 119.66 127.26 2gpf s GLN 11 Ca 0.07 0.03 0.03 0.00 0.01 0.00 0.00 55.36 55.51 2gpf s GLN 11 Cb -0.02 -2.67 -0.01 0.00 -1.01 0.00 0.00 33.01 29.30 2gpf s GLN 11 CO 0.46 0.26 0.12 -0.06 0.01 0.00 0.00 175.29 176.09 2gpf s PHE 12 N -1.99 1.77 0.05 0.91 0.08 0.21 -1.07 117.98 117.94 2gpf s PHE 12 Ca 0.44 -1.29 -0.12 0.00 0.12 0.00 0.00 56.93 56.07 2gpf s PHE 12 Cb -0.11 -1.22 0.02 0.00 -0.57 0.00 0.00 43.02 41.13 2gpf s PHE 12 CO 0.28 -0.26 0.27 1.14 -0.10 0.00 0.00 175.22 176.55 2gpf s GLN 13 N -3.69 0.79 -0.25 0.44 -2.07 0.18 -0.74 119.66 114.32 2gpf s GLN 13 Ca 0.17 -0.56 -0.11 0.00 -1.82 0.00 0.00 55.36 53.04 2gpf s GLN 13 Cb 0.01 0.34 -0.05 0.00 -1.09 0.00 0.00 33.01 32.22 2gpf s GLN 13 CO 0.12 -0.25 0.18 0.08 -1.32 0.00 0.00 175.29 174.11 2gpf s VAL 14 N -2.64 5.34 0.32 3.63 1.01 -0.89 -0.54 120.40 126.63 2gpf s VAL 14 Ca -0.04 0.21 0.10 0.00 0.00 0.00 0.00 61.98 62.24 2gpf s VAL 14 Cb -0.01 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 2gpf s VAL 14 CO -0.04 0.31 -0.05 0.68 0.00 0.00 0.00 175.10 176.00 2gpf s VAL 15 N 1.28 2.62 0.03 2.92 -7.23 0.61 -0.65 120.40 119.98 2gpf s VAL 15 Ca 0.08 -2.10 0.05 0.00 -1.81 0.00 0.00 61.98 58.20 2gpf s VAL 15 Cb -0.14 -2.68 -0.02 0.00 0.56 0.00 0.00 36.38 34.10 2gpf s VAL 15 CO 0.07 -0.26 -0.15 0.54 -0.31 0.00 0.00 175.10 174.98 2gpf s VAL 16 N -2.51 1.19 0.63 1.32 0.11 0.19 -0.92 120.40 120.41 2gpf s VAL 16 Ca 0.33 -0.94 -0.01 0.00 -2.93 0.00 0.00 61.98 58.43 2gpf s VAL 16 Cb -0.01 -1.05 0.13 0.00 -1.53 0.00 0.00 36.38 33.91 2gpf s VAL 16 CO 0.18 0.10 0.86 -3.20 -3.33 0.00 0.00 175.10 169.71 2gpf n ASN 17 N 2.08 1.09 0.00 3.54 2.85 0.16 -1.40 115.26 123.57 2gpf n ASN 17 Ca -0.17 -1.94 0.14 0.00 -0.11 0.00 0.00 54.58 52.50 2gpf n ASN 17 Cb 0.55 -0.57 0.73 0.00 1.24 0.00 0.00 39.78 41.73 2gpf n ASN 17 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 2gpf n HIS 18 N -2.68 0.00 -0.13 1.20 8.25 -1.26 -2.16 115.22 118.43 2gpf n HIS 18 Ca 0.14 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.69 2gpf n HIS 18 Cb 0.50 -0.21 0.22 0.00 1.12 0.00 0.00 29.99 31.62 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 2.61 -1.52 -0.41 4.71 -1.26 -4.91 120.64 118.64 2gpf n GLU 19 Ca 0.15 -2.28 -0.10 0.00 -0.01 0.00 0.00 57.16 54.92 2gpf n GLU 19 Cb 0.18 -1.43 -0.04 0.00 -1.01 0.00 0.00 31.44 29.15 2gpf n GLU 19 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 2gpf n GLU 20 N 1.14 -0.76 -2.60 3.49 2.13 -0.92 -4.99 120.64 118.13 2gpf n GLU 20 Ca 0.18 0.78 -0.42 0.00 0.66 0.00 0.00 57.16 58.36 2gpf n GLU 20 Cb 0.53 -4.76 -0.03 0.00 0.27 0.00 0.00 31.44 27.45 2gpf n GLU 20 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 2gpf s GLN 21 N -3.28 4.45 -0.03 5.31 -0.21 -1.26 -4.81 119.66 119.84 2gpf s GLN 21 Ca 0.00 1.52 -0.02 0.00 0.02 0.00 0.00 55.36 56.88 2gpf s GLN 21 Cb 0.00 -3.49 -0.04 0.00 1.00 0.00 0.00 33.01 30.48 2gpf s GLN 21 CO 0.00 -0.26 0.10 0.71 -2.12 0.00 0.00 175.29 173.72 2gpf s TYR 22 N 1.64 3.36 0.32 0.91 2.02 -1.26 0.35 117.35 124.69 2gpf s TYR 22 Ca 0.53 0.27 -0.08 0.00 -0.37 0.00 0.00 57.07 57.42 2gpf s TYR 22 Cb -0.22 -1.78 0.01 0.00 -0.40 0.00 0.00 41.96 39.57 2gpf s TYR 22 CO 0.23 0.58 0.54 0.45 -1.57 0.00 0.00 175.55 175.78 2gpf s SER 23 N -1.61 0.45 0.02 2.29 0.15 -0.10 -4.99 113.70 109.91 2gpf s SER 23 Ca 0.22 -1.26 0.04 0.00 0.70 0.00 0.00 55.95 55.64 2gpf s SER 23 Cb -0.12 0.68 -0.03 0.00 -1.71 0.00 0.00 66.02 64.83 2gpf s SER 23 CO 0.13 -1.33 -0.07 0.27 1.20 0.00 0.00 173.24 173.44 2gpf s ILE 24 N -3.18 3.65 -0.00 6.45 -4.36 -1.26 -0.28 121.20 122.21 2gpf s ILE 24 Ca 0.25 -0.84 -0.01 0.00 -0.26 0.00 0.00 60.65 59.80 2gpf s ILE 24 Cb -0.01 -2.61 -0.00 0.00 1.25 0.00 0.00 42.46 41.08 2gpf s ILE 24 CO 0.15 0.35 0.01 0.86 0.24 0.00 0.00 174.94 176.55 2gpf s TRP 25 N -1.04 0.03 0.10 1.37 -0.11 0.30 -4.93 118.94 114.66 2gpf s TRP 25 Ca 0.18 -0.06 -0.35 0.00 1.22 0.00 0.00 56.10 57.09 2gpf s TRP 25 Cb -0.11 -0.03 -0.15 0.00 -1.50 0.00 0.00 33.47 31.68 2gpf s TRP 25 CO 0.09 -0.05 1.53 -2.30 -4.62 0.00 0.00 176.95 171.60 2gpf n PRO 26 N 2.76 1.78 0.14 5.86 -0.02 -1.26 0.49 135.00 144.76 2gpf n PRO 26 Ca -0.14 0.64 0.03 0.00 -2.02 0.00 0.00 63.50 62.01 2gpf n PRO 26 Cb 0.59 -2.37 0.39 0.00 -0.02 0.00 0.00 33.50 32.09 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 5.78 0.17 0.00 -0.52 4.22 -1.29 -2.33 114.58 120.60 2gpf h GLU 27 Ca -0.46 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 58.94 2gpf h GLU 27 Cb 1.28 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2gpf h GLU 27 CO 0.86 0.36 -0.28 2.48 -2.18 0.00 0.00 179.01 180.24 2gpf n TYR 28 N -4.24 0.38 -3.49 0.92 4.11 -1.26 -4.87 117.16 108.71 2gpf n TYR 28 Ca -0.01 0.11 -0.25 0.00 -0.00 0.00 0.00 57.90 57.75 2gpf n TYR 28 Cb 0.29 -0.60 -0.02 0.00 -0.00 0.00 0.00 39.34 39.02 2gpf n TYR 28 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 2gpf s LYS 29 N -3.07 3.51 0.03 -3.48 1.02 -0.88 -5.06 119.74 111.81 2gpf s LYS 29 Ca 0.10 -0.33 -0.28 0.00 0.02 0.00 0.00 55.97 55.49 2gpf s LYS 29 Cb 0.15 -2.72 -0.04 0.00 -0.52 0.00 0.00 37.83 34.70 2gpf s LYS 29 CO 0.64 0.23 0.89 -2.00 -0.92 0.00 0.00 175.35 174.19 2gpf s GLU 30 N -3.98 4.56 0.22 1.68 2.12 -1.26 -4.89 118.70 117.16 2gpf s GLU 30 Ca 0.40 1.27 -0.30 0.00 0.36 0.00 0.00 54.97 56.70 2gpf s GLU 30 Cb -0.10 -3.42 -0.09 0.00 0.26 0.00 0.00 34.13 30.79 2gpf s GLU 30 CO 0.33 0.10 1.12 0.42 -0.54 0.00 0.00 175.26 176.70 2gpf s ILE 31 N 0.50 3.64 0.56 -3.70 1.01 -1.26 -5.02 121.20 116.92 2gpf s ILE 31 Ca 0.46 1.50 -0.21 0.00 0.00 0.00 0.00 60.65 62.39 2gpf s ILE 31 Cb -0.21 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 2gpf s ILE 31 CO 0.26 0.30 1.34 -2.84 0.00 0.00 0.00 174.94 173.99 2gpf s PRO 32 N -0.79 3.10 -0.83 2.79 0.02 -1.26 -4.89 135.00 133.12 2gpf s PRO 32 Ca 0.48 2.18 -0.26 0.00 0.02 0.00 0.00 61.00 63.42 2gpf s PRO 32 Cb -0.31 -2.20 0.03 0.00 0.02 0.00 0.00 34.50 32.04 2gpf s PRO 32 CO 0.38 -1.21 1.37 -1.14 -0.33 0.00 0.00 177.00 176.07 2gpf s GLN 33 N -2.97 3.29 0.00 5.54 -0.44 -1.26 -2.08 119.66 121.74 2gpf s GLN 33 Ca 0.73 -0.50 0.00 0.00 -2.50 0.00 0.00 55.36 53.08 2gpf s GLN 33 Cb -0.39 -4.60 0.00 0.00 -1.64 0.00 0.00 33.01 26.38 2gpf s GLN 33 CO 0.46 -2.22 0.00 0.41 0.50 0.00 0.00 175.29 174.44 2gpf n GLY 34 N 5.92 0.28 3.70 2.59 0.00 -1.26 -5.12 105.19 111.30 2gpf n GLY 34 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 3.07 -0.01 1.61 0.52 -0.88 -4.43 118.94 118.81 2gpf s TRP 35 Ca 0.00 0.06 0.05 0.00 0.02 0.00 0.00 56.10 56.23 2gpf s TRP 35 Cb 0.00 -1.64 -0.01 0.00 -1.15 0.00 0.00 33.47 30.67 2gpf s TRP 35 CO 0.00 0.47 -0.18 0.50 0.02 0.00 0.00 176.95 177.77 2gpf s ARG 36 N -1.81 1.44 0.01 4.98 6.06 -0.49 -4.78 118.95 124.35 2gpf s ARG 36 Ca 0.22 -0.63 -0.30 0.00 -2.50 0.00 0.00 55.73 52.52 2gpf s ARG 36 Cb -0.12 -1.39 -0.05 0.00 0.06 0.00 0.00 34.95 33.45 2gpf s ARG 36 CO 0.13 0.37 1.34 0.00 -2.50 0.00 0.00 175.30 174.65 2gpf s ALA 37 N -0.40 3.55 0.00 6.12 0.00 -1.26 0.56 121.76 130.33 2gpf s ALA 37 Ca 0.06 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.87 2gpf s ALA 37 Cb -0.07 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.49 2gpf s ALA 37 CO -0.01 -0.81 0.00 0.00 0.00 0.00 0.00 175.76 174.94 2gpf n ALA 38 N 5.07 0.52 -3.74 0.00 0.00 -0.47 -4.88 120.51 117.01 2gpf n ALA 38 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.36 2gpf n ALA 38 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 2gpf n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gpf n GLY 39 N 0.47 2.81 3.90 0.00 0.00 0.18 -5.02 105.19 107.54 2gpf n GLY 39 Ca 0.00 -2.26 -0.29 0.00 0.00 0.00 0.00 46.02 43.47 2gpf n GLY 39 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gpf s LYS 40 N -3.58 1.88 0.11 1.61 -2.85 -1.26 -4.29 119.74 111.36 2gpf s LYS 40 Ca 0.22 0.06 0.09 0.00 -1.00 0.00 0.00 55.97 55.35 2gpf s LYS 40 Cb -0.02 -1.95 -0.04 0.00 -2.06 0.00 0.00 37.83 33.77 2gpf s LYS 40 CO 0.14 -1.64 -0.24 -1.12 0.10 0.00 0.00 175.35 172.59 2gpf s SER 41 N -4.60 2.91 0.00 0.03 0.01 -1.26 -2.09 113.70 108.70 2gpf s SER 41 Ca 0.63 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 57.19 2gpf s SER 41 Cb -0.10 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 65.94 2gpf s SER 41 CO 0.49 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.88 2gpf n GLY 42 N 1.12 -0.44 3.70 3.44 0.00 0.08 -4.81 105.19 108.29 2gpf n GLY 42 Ca -0.19 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.72 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 2.71 0.09 0.99 2.01 -1.26 0.66 118.68 123.88 2gpf s LEU 43 Ca 0.00 1.92 -0.20 0.00 0.01 0.00 0.00 54.13 55.87 2gpf s LEU 43 Cb 0.00 -4.39 -0.09 0.00 0.01 0.00 0.00 46.19 41.72 2gpf s LEU 43 CO 0.00 -2.73 1.62 0.50 1.01 0.00 0.00 176.35 176.75 2gpf h LYS 44 N -1.61 0.31 -0.41 1.70 3.64 -1.93 -0.68 116.57 117.59 2gpf h LYS 44 Ca -0.45 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 58.85 2gpf h LYS 44 Cb 1.26 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 2gpf h LYS 44 CO 0.47 0.39 0.18 1.57 -2.27 0.00 0.00 179.45 179.80 2gpf h LYS 45 N 0.17 0.56 -0.36 1.90 5.09 -1.97 0.19 116.57 122.15 2gpf h LYS 45 Ca 0.07 -0.06 -0.12 0.00 0.09 0.00 0.00 60.65 60.62 2gpf h LYS 45 Cb 0.20 -0.11 -0.01 0.00 0.10 0.00 0.00 32.23 32.41 2gpf h LYS 45 CO -0.00 0.45 -0.28 0.22 -2.09 0.00 0.00 179.45 177.75 2gpf h ASP 46 N 0.57 0.77 -0.33 7.07 3.58 -1.80 0.98 116.42 127.26 2gpf h ASP 46 Ca 0.14 -0.30 -0.16 0.00 0.42 0.00 0.00 57.03 57.13 2gpf h ASP 46 Cb 0.08 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 40.92 2gpf h ASP 46 CO -0.02 1.01 -0.43 0.00 -2.88 0.00 0.00 179.24 176.92 2gpf h LEU 48 N 0.67 0.89 -0.99 0.00 3.38 -0.39 -1.65 115.31 117.22 2gpf h LEU 48 Ca 0.04 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.05 2gpf h LEU 48 Cb 1.03 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.49 2gpf h LEU 48 CO 0.10 0.65 0.64 0.00 0.09 0.00 0.00 178.44 179.92 2gpf h ALA 49 N 1.28 1.37 -0.78 1.53 0.00 -0.71 -1.42 119.26 120.54 2gpf h ALA 49 Ca 0.28 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.23 2gpf h ALA 49 Cb -0.12 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 17.31 2gpf h ALA 49 CO -0.06 0.44 0.47 -0.92 0.00 0.00 0.00 179.25 179.18 2gpf h TYR 50 N 1.17 0.87 -0.47 0.00 3.20 -0.73 -2.34 116.97 118.68 2gpf h TYR 50 Ca 0.43 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.32 2gpf h TYR 50 Cb 0.15 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.12 2gpf h TYR 50 CO -0.00 0.44 0.28 0.82 -1.64 0.00 0.00 178.16 178.06 2gpf h ILE 51 N 0.86 1.13 -0.59 1.81 5.03 -0.78 -1.70 117.51 123.28 2gpf h ILE 51 Ca 0.34 -0.29 -0.02 0.00 -0.12 0.00 0.00 64.86 64.77 2gpf h ILE 51 Cb 0.16 0.48 -0.03 0.00 -3.03 0.00 0.00 36.82 34.40 2gpf h ILE 51 CO -0.17 0.14 0.28 -0.08 -0.68 0.00 0.00 178.15 177.64 2gpf h GLU 52 N 0.64 0.85 -0.30 2.37 4.57 -1.17 -3.33 114.58 118.21 2gpf h GLU 52 Ca 0.17 -0.13 0.04 0.00 -1.18 0.00 0.00 59.36 58.26 2gpf h GLU 52 Cb -0.03 -0.15 -0.06 0.00 -0.16 0.00 0.00 28.75 28.35 2gpf h GLU 52 CO -0.03 0.69 -0.40 0.93 -1.18 0.00 0.00 179.01 179.03 2gpf h GLU 53 N 0.81 -0.26 0.05 1.92 4.39 -1.09 -3.47 114.58 116.92 2gpf h GLU 53 Ca 0.20 0.02 -0.33 0.00 0.34 0.00 0.00 59.36 59.59 2gpf h GLU 53 Cb 0.12 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.80 2gpf h GLU 53 CO -0.03 -0.18 -1.83 1.55 -1.16 0.00 0.00 179.01 177.37 2gpf n VAL 54 N -4.59 1.62 0.02 3.13 3.14 -1.25 -3.52 118.33 116.89 2gpf n VAL 54 Ca -0.02 -0.36 -0.15 0.00 -2.96 0.00 0.00 64.34 60.84 2gpf n VAL 54 Cb 0.24 -1.84 -0.14 0.00 -1.06 0.00 0.00 33.84 31.04 2gpf n VAL 54 CO 0.00 0.00 0.00 -0.25 -6.46 0.00 0.00 176.83 170.12 2gpf h TRP 55 N -0.50 0.31 -2.02 1.45 7.01 -1.89 -3.41 115.95 116.89 2gpf h TRP 55 Ca -0.45 -0.23 -0.04 0.00 2.11 0.00 0.00 58.89 60.28 2gpf h TRP 55 Cb 1.68 -0.01 -0.21 0.00 -2.10 0.00 0.00 29.16 28.51 2gpf h TRP 55 CO 0.06 1.37 0.12 -0.08 -2.79 0.00 0.00 178.44 177.12 2gpf s THR 56 N -2.60 0.00 0.13 2.65 -1.32 -1.26 -5.16 115.64 108.08 2gpf s THR 56 Ca -0.11 -0.00 -0.24 0.00 -1.21 0.00 0.00 61.69 60.13 2gpf s THR 56 Cb 0.07 -0.99 -0.07 0.00 -1.51 0.00 0.00 72.50 70.00 2gpf s THR 56 CO 0.82 -0.00 0.72 1.51 -2.21 0.00 0.00 174.62 175.45 2gpf s ASP 57 N 0.27 7.28 -1.09 8.08 -4.77 -1.23 -4.85 116.67 120.36 2gpf s ASP 57 Ca -0.01 1.52 -0.21 0.00 -3.30 0.00 0.00 52.55 50.55 2gpf s ASP 57 Cb -0.05 -2.46 0.07 0.00 -1.09 0.00 0.00 42.92 39.39 2gpf s ASP 57 CO 0.02 0.21 1.49 0.00 0.70 0.00 0.00 175.17 177.59 2gpf s MET 58 N -1.04 3.70 0.35 2.11 0.23 -1.26 -4.67 119.30 118.73 2gpf s MET 58 Ca 0.34 -1.44 0.00 0.00 -1.03 0.00 0.00 55.69 53.56 2gpf s MET 58 Cb -0.22 -5.35 0.00 0.00 -1.53 0.00 0.00 34.83 27.73 2gpf s MET 58 CO 0.24 -2.17 0.00 0.54 -2.03 0.00 0.00 175.02 171.60 2gpf n ARG 59 N 8.44 -3.41 -1.51 3.16 5.12 -1.26 -4.68 116.66 122.53 2gpf n ARG 59 Ca 0.36 2.52 -0.26 0.00 -1.93 0.00 0.00 57.85 58.53 2gpf n ARG 59 Cb 0.49 -2.81 -0.18 0.00 -1.16 0.00 0.00 32.46 28.80 2gpf n ARG 59 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2gpf n PRO 60 N -0.58 0.13 -0.03 5.56 -0.04 -1.26 -4.73 135.00 134.05 2gpf n PRO 60 Ca 0.00 -0.11 0.13 0.00 -0.04 0.00 0.00 63.50 63.48 2gpf n PRO 60 Cb 0.00 -1.61 0.44 0.00 -0.04 0.00 0.00 33.50 32.29 2gpf n PRO 60 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2gpf n LEU 61 N 9.07 1.73 0.23 1.53 -0.00 -1.26 -4.32 117.00 123.98 2gpf n LEU 61 Ca 0.63 -0.63 0.16 0.00 -0.00 0.00 0.00 56.01 56.17 2gpf n LEU 61 Cb 0.17 -0.04 0.71 0.00 -0.00 0.00 0.00 43.42 44.27 2gpf n LEU 61 CO 0.97 0.31 0.96 0.28 -0.00 0.00 0.00 177.39 179.91 2gpf h SER 62 N 2.58 0.00 0.00 1.45 0.02 -1.97 0.16 113.55 115.79 2gpf h SER 62 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2gpf h SER 62 Cb 0.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.09 2gpf h SER 62 CO 0.00 0.00 -1.32 0.00 -1.14 0.00 0.00 176.83 174.37 2gpf n LEU 63 N -2.71 0.20 -0.12 5.07 -0.00 -1.26 -4.65 117.00 113.53 2gpf n LEU 63 Ca 0.00 -0.16 -0.17 0.00 -0.00 0.00 0.00 56.01 55.68 2gpf n LEU 63 Cb 0.20 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.51 2gpf n LEU 63 CO 0.21 0.05 -1.30 -2.11 -0.00 0.00 0.00 177.39 174.24 2gpf n ARG 64 N -1.77 0.61 -1.36 1.47 1.85 -0.96 -5.10 116.66 111.40 2gpf n ARG 64 Ca -0.01 0.14 0.19 0.00 -1.00 0.00 0.00 57.85 57.17 2gpf n ARG 64 Cb 0.32 -1.49 -0.05 0.00 -1.05 0.00 0.00 32.46 30.19 2gpf n ARG 64 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2gpf n GLN 65 N -3.25 -2.74 0.00 2.89 3.00 0.54 -3.76 117.38 114.06 2gpf n GLN 65 Ca -0.44 1.80 0.13 0.00 -0.01 0.00 0.00 57.00 58.49 2gpf n GLN 65 Cb 0.96 -3.34 0.39 0.00 0.00 0.00 0.00 30.24 28.24 2gpf n GLN 65 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 2gpf n HIS 66 N -4.11 0.00 -1.31 1.08 8.25 -1.26 -4.02 115.22 113.85 2gpf n HIS 66 Ca 0.01 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.16 2gpf n HIS 66 Cb 0.62 -0.02 0.11 0.00 1.12 0.00 0.00 29.99 31.82 2gpf n HIS 66 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2gpf n MET 67 N 0.21 2.56 -0.29 -0.41 2.81 -1.26 -4.74 117.12 115.99 2gpf n MET 67 Ca 0.16 -3.21 0.12 0.00 -1.81 0.00 0.00 57.70 52.96 2gpf n MET 67 Cb 0.40 -2.25 0.28 0.00 -0.71 0.00 0.00 33.22 30.94 2gpf n MET 67 CO 0.00 0.00 0.00 0.22 1.51 0.00 0.00 175.97 177.70 2gpf h ASP 68 N 1.68 0.04 -4.94 7.83 3.58 -1.70 -3.44 116.42 119.49 2gpf h ASP 68 Ca 0.61 0.19 0.02 0.00 0.42 0.00 0.00 57.03 58.26 2gpf h ASP 68 Cb 1.47 0.24 -0.12 0.00 1.72 0.00 0.00 39.33 42.64 2gpf h ASP 68 CO 1.43 -0.12 0.27 -1.59 -2.88 0.00 0.00 179.24 176.35 2gpf s LYS 69 N -5.94 1.23 -0.05 0.28 -2.85 -1.26 -5.10 119.74 106.05 2gpf s LYS 69 Ca -0.12 -0.48 0.02 0.00 -1.00 0.00 0.00 55.97 54.39 2gpf s LYS 69 Cb 0.25 0.55 0.01 0.00 -2.06 0.00 0.00 37.83 36.58 2gpf s LYS 69 CO 0.77 -0.54 -0.11 0.00 0.10 0.00 0.00 175.35 175.57 2gpf s ALA 70 N -3.63 1.09 -1.56 0.59 0.00 -1.26 -4.69 121.76 112.29 2gpf s ALA 70 Ca 0.03 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.61 2gpf s ALA 70 Cb -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.65 2gpf s ALA 70 CO -0.10 0.13 0.00 0.00 0.00 0.00 0.00 175.76 175.78 2gpf n ALA 71 N 3.58 -0.22 0.84 0.00 0.00 -1.26 -5.30 120.51 118.15 2gpf n ALA 71 Ca -0.21 0.24 0.10 0.00 0.00 0.00 0.00 53.44 53.57 2gpf n ALA 71 Cb 0.53 -1.61 0.08 0.00 0.00 0.00 0.00 19.45 18.45 2gpf n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91