#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 0.67 -0.24 3.17 2.01 -1.26 -5.10 115.64 114.89 2gpf s THR 2 Ca 0.00 -0.67 -0.03 0.00 0.31 0.00 0.00 61.69 61.29 2gpf s THR 2 Cb 0.00 -1.15 0.08 0.00 0.01 0.00 0.00 72.50 71.44 2gpf s THR 2 CO 0.00 -0.21 0.09 -0.44 -0.69 0.00 0.00 174.62 173.37 2gpf s SER 3 N 1.79 3.14 -0.11 3.53 0.01 -1.26 -4.94 113.70 115.86 2gpf s SER 3 Ca -0.01 -1.05 -0.13 0.00 1.31 0.00 0.00 55.95 56.07 2gpf s SER 3 Cb -0.17 -0.46 -0.27 0.00 0.21 0.00 0.00 66.02 65.33 2gpf s SER 3 CO -0.08 -0.38 0.47 0.58 0.41 0.00 0.00 173.24 174.24 2gpf h VAL 4 N 6.45 0.86 -2.97 3.43 2.07 -2.08 -3.44 116.25 120.57 2gpf h VAL 4 Ca -0.17 -2.37 -0.50 0.00 0.82 0.00 0.00 66.70 64.47 2gpf h VAL 4 Cb 1.08 2.60 -0.40 0.00 -1.52 0.00 0.00 31.29 33.04 2gpf h VAL 4 CO 0.38 0.76 -0.76 0.72 0.02 0.00 0.00 177.57 178.68 2gpf s PHE 5 N -2.51 0.44 0.93 1.57 -0.71 -1.26 -5.15 117.98 111.28 2gpf s PHE 5 Ca -0.21 -0.70 -0.14 0.00 -1.04 0.00 0.00 56.93 54.83 2gpf s PHE 5 Cb 0.05 -0.89 0.21 0.00 -1.21 0.00 0.00 43.02 41.19 2gpf s PHE 5 CO 0.76 -0.68 1.26 -3.47 -1.34 0.00 0.00 175.22 171.76 2gpf n ASP 6 N 5.21 0.24 -0.06 1.98 -0.08 -1.26 -4.93 116.55 117.65 2gpf n ASP 6 Ca -0.06 -1.55 0.08 0.00 -1.51 0.00 0.00 54.79 51.75 2gpf n ASP 6 Cb 0.45 -0.95 0.44 0.00 2.34 0.00 0.00 41.12 43.41 2gpf n ASP 6 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2gpf n ARG 7 N -3.64 1.08 0.18 -0.67 3.00 -1.26 -1.86 116.66 113.49 2gpf n ARG 7 Ca 0.16 -0.12 0.13 0.00 -0.01 0.00 0.00 57.85 58.02 2gpf n ARG 7 Cb 0.57 -1.25 0.40 0.00 0.00 0.00 0.00 32.46 32.17 2gpf n ARG 7 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.63 178.01 2gpf h ASP 8 N 0.22 0.00 -3.60 0.55 3.04 -2.05 -3.42 116.42 111.17 2gpf h ASP 8 Ca 0.00 0.00 -0.62 0.00 -3.24 0.00 0.00 57.03 53.17 2gpf h ASP 8 Cb 0.05 0.00 -0.13 0.00 -1.04 0.00 0.00 39.33 38.21 2gpf h ASP 8 CO 0.00 0.00 -0.13 -0.62 -2.04 0.00 0.00 179.24 176.45 2gpf s ASP 9 N -5.29 6.39 -0.26 4.15 2.15 -0.78 -5.04 116.67 117.99 2gpf s ASP 9 Ca 0.06 0.46 -0.03 0.00 0.43 0.00 0.00 52.55 53.47 2gpf s ASP 9 Cb 0.09 -2.25 0.10 0.00 -0.30 0.00 0.00 42.92 40.56 2gpf s ASP 9 CO 0.58 -0.20 0.18 -0.51 -0.17 0.00 0.00 175.17 175.05 2gpf s ILE 10 N 1.97 -0.19 -0.12 4.11 1.10 -1.26 -4.93 121.20 121.87 2gpf s ILE 10 Ca 0.19 -0.52 -0.05 0.00 -0.51 0.00 0.00 60.65 59.76 2gpf s ILE 10 Cb -0.15 -0.88 -0.04 0.00 0.15 0.00 0.00 42.46 41.53 2gpf s ILE 10 CO 0.09 -0.53 0.06 -1.10 -2.11 0.00 0.00 174.94 171.36 2gpf s GLN 11 N 2.20 3.40 0.43 3.50 1.11 -1.26 -3.52 119.66 125.52 2gpf s GLN 11 Ca 0.08 -0.30 0.05 0.00 0.01 0.00 0.00 55.36 55.20 2gpf s GLN 11 Cb -0.15 -3.04 -0.06 0.00 -1.01 0.00 0.00 33.01 28.75 2gpf s GLN 11 CO -0.29 0.61 0.02 -0.06 0.01 0.00 0.00 175.29 175.59 2gpf s PHE 12 N -0.60 2.22 0.02 0.91 0.40 0.17 -1.94 117.98 119.17 2gpf s PHE 12 Ca 0.11 -0.82 -0.08 0.00 -0.60 0.00 0.00 56.93 55.54 2gpf s PHE 12 Cb -0.12 -1.64 -0.00 0.00 0.51 0.00 0.00 43.02 41.78 2gpf s PHE 12 CO 0.02 0.29 0.15 1.14 0.70 0.00 0.00 175.22 177.52 2gpf s GLN 13 N -3.78 0.58 -0.15 0.44 -2.07 0.74 -1.61 119.66 113.81 2gpf s GLN 13 Ca 0.26 -0.56 -0.15 0.00 -1.82 0.00 0.00 55.36 53.09 2gpf s GLN 13 Cb 0.07 0.24 -0.04 0.00 -1.09 0.00 0.00 33.01 32.18 2gpf s GLN 13 CO 0.13 -0.15 0.36 0.08 -1.32 0.00 0.00 175.29 174.39 2gpf s VAL 14 N -2.08 5.26 -0.02 3.63 1.01 -0.82 -0.61 120.40 126.77 2gpf s VAL 14 Ca -0.09 0.68 0.05 0.00 0.00 0.00 0.00 61.98 62.61 2gpf s VAL 14 Cb -0.04 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 2gpf s VAL 14 CO -0.02 0.36 -0.15 0.68 0.00 0.00 0.00 175.10 175.97 2gpf s VAL 15 N 0.58 3.02 -0.03 2.92 -7.23 0.49 -0.10 120.40 120.06 2gpf s VAL 15 Ca 0.19 -0.85 0.07 0.00 -1.81 0.00 0.00 61.98 59.59 2gpf s VAL 15 Cb -0.14 -2.21 -0.01 0.00 0.56 0.00 0.00 36.38 34.58 2gpf s VAL 15 CO 0.06 0.51 -0.23 0.54 -0.31 0.00 0.00 175.10 175.67 2gpf s VAL 16 N -0.80 1.88 0.49 1.32 0.11 0.18 -1.24 120.40 122.34 2gpf s VAL 16 Ca 0.13 -1.00 -0.02 0.00 -2.93 0.00 0.00 61.98 58.16 2gpf s VAL 16 Cb -0.11 -1.57 -0.00 0.00 -1.53 0.00 0.00 36.38 33.17 2gpf s VAL 16 CO 0.02 0.53 0.75 0.21 -3.33 0.00 0.00 175.10 173.28 2gpf s ASN 17 N -0.39 5.78 0.00 3.54 2.47 -0.38 -0.30 114.94 125.66 2gpf s ASN 17 Ca 0.04 0.44 0.00 0.00 0.42 0.00 0.00 52.86 53.77 2gpf s ASN 17 Cb -0.11 -1.62 0.00 0.00 -1.45 0.00 0.00 41.25 38.08 2gpf s ASN 17 CO 0.01 -0.80 0.49 1.41 -3.72 0.00 0.00 177.10 174.48 2gpf n HIS 18 N -2.24 0.00 0.26 0.43 8.25 -1.26 -0.27 115.22 120.39 2gpf n HIS 18 Ca 0.02 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.59 2gpf n HIS 18 Cb 0.57 -0.04 0.19 0.00 1.12 0.00 0.00 29.99 31.83 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 -0.11 2.34 -3.35 -0.41 1.02 -1.26 -4.92 120.64 113.96 2gpf n GLU 19 Ca 0.00 -2.15 -0.18 0.00 -0.02 0.00 0.00 57.16 54.80 2gpf n GLU 19 Cb 0.11 -1.45 0.07 0.00 -0.02 0.00 0.00 31.44 30.14 2gpf n GLU 19 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2gpf n GLU 20 N 1.30 -6.28 -3.32 3.49 4.07 0.63 -4.98 120.64 115.54 2gpf n GLU 20 Ca 0.17 0.68 -0.39 0.00 -0.06 0.00 0.00 57.16 57.55 2gpf n GLU 20 Cb 0.55 -5.25 -0.08 0.00 -0.06 0.00 0.00 31.44 26.60 2gpf n GLU 20 CO 0.00 0.00 0.00 -1.14 -0.06 0.00 0.00 177.13 175.93 2gpf s GLN 21 N -5.89 4.05 -0.17 5.31 2.00 -1.12 -4.87 119.66 118.96 2gpf s GLN 21 Ca 0.39 0.18 -0.14 0.00 -2.00 0.00 0.00 55.36 53.78 2gpf s GLN 21 Cb -0.17 -3.65 -0.04 0.00 0.80 0.00 0.00 33.01 29.94 2gpf s GLN 21 CO 0.59 -0.31 0.33 0.71 -0.50 0.00 0.00 175.29 176.11 2gpf s TYR 22 N 2.16 3.43 0.24 1.67 2.02 -1.26 -1.25 117.35 124.36 2gpf s TYR 22 Ca 0.18 0.60 -0.09 0.00 -0.37 0.00 0.00 57.07 57.39 2gpf s TYR 22 Cb -0.16 -2.40 -0.01 0.00 -0.40 0.00 0.00 41.96 38.99 2gpf s TYR 22 CO 0.09 0.16 0.37 0.45 -1.57 0.00 0.00 175.55 175.06 2gpf s SER 23 N 0.67 0.01 0.12 2.29 0.15 -0.38 -5.02 113.70 111.54 2gpf s SER 23 Ca 0.17 -1.08 0.10 0.00 0.70 0.00 0.00 55.95 55.84 2gpf s SER 23 Cb -0.14 0.53 -0.04 0.00 -1.71 0.00 0.00 66.02 64.66 2gpf s SER 23 CO 0.05 -1.06 -0.25 0.27 1.20 0.00 0.00 173.24 173.46 2gpf s ILE 24 N -4.03 2.40 -0.10 6.45 -4.36 -1.26 -0.38 121.20 119.92 2gpf s ILE 24 Ca 0.28 -1.66 -0.09 0.00 -0.26 0.00 0.00 60.65 58.92 2gpf s ILE 24 Cb 0.02 -2.06 0.03 0.00 1.25 0.00 0.00 42.46 41.69 2gpf s ILE 24 CO 0.10 0.12 0.26 0.86 0.24 0.00 0.00 174.94 176.52 2gpf s TRP 25 N -1.06 -0.30 0.21 1.37 -0.11 0.22 -4.87 118.94 114.40 2gpf s TRP 25 Ca 0.15 0.72 -0.32 0.00 1.22 0.00 0.00 56.10 57.87 2gpf s TRP 25 Cb -0.10 0.10 -0.14 0.00 -1.50 0.00 0.00 33.47 31.83 2gpf s TRP 25 CO 0.07 -0.15 1.48 -2.30 -4.62 0.00 0.00 176.95 171.42 2gpf n PRO 26 N 3.10 2.08 0.20 5.86 -0.02 -1.26 -0.19 135.00 144.77 2gpf n PRO 26 Ca -0.14 0.74 0.07 0.00 -2.02 0.00 0.00 63.50 62.15 2gpf n PRO 26 Cb 0.58 -2.45 0.39 0.00 -0.02 0.00 0.00 33.50 31.99 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 4.93 0.00 0.00 -0.52 4.81 -1.64 -2.55 114.58 119.61 2gpf h GLU 27 Ca -0.45 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.74 2gpf h GLU 27 Cb 1.27 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 2gpf h GLU 27 CO 0.81 0.33 -0.19 1.88 -0.73 0.00 0.00 179.01 181.11 2gpf h TYR 28 N 0.00 0.00 -3.07 0.92 -1.99 -1.91 -3.43 116.97 107.49 2gpf h TYR 28 Ca -0.00 0.00 -0.60 0.00 2.00 0.00 0.00 58.73 60.13 2gpf h TYR 28 Cb 0.82 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.51 2gpf h TYR 28 CO 0.00 0.19 -0.34 0.15 -0.00 0.00 0.00 178.16 178.16 2gpf s LYS 29 N -4.35 3.62 0.40 4.88 3.01 -0.96 -5.06 119.74 121.27 2gpf s LYS 29 Ca -0.03 -0.07 -0.26 0.00 -1.01 0.00 0.00 55.97 54.60 2gpf s LYS 29 Cb 0.14 -2.95 -0.08 0.00 -1.01 0.00 0.00 37.83 33.93 2gpf s LYS 29 CO 0.65 0.54 1.22 -2.00 0.51 0.00 0.00 175.35 176.28 2gpf s GLU 30 N -2.30 4.02 0.11 1.68 2.12 -1.26 -4.87 118.70 118.20 2gpf s GLU 30 Ca 0.36 1.97 -0.31 0.00 0.36 0.00 0.00 54.97 57.35 2gpf s GLU 30 Cb -0.13 -2.72 -0.08 0.00 0.26 0.00 0.00 34.13 31.47 2gpf s GLU 30 CO 0.22 -0.39 1.38 0.42 -0.54 0.00 0.00 175.26 176.35 2gpf s ILE 31 N -1.34 3.35 0.57 -3.70 1.01 -1.26 -4.98 121.20 114.86 2gpf s ILE 31 Ca 0.57 0.97 -0.20 0.00 0.00 0.00 0.00 60.65 61.99 2gpf s ILE 31 Cb -0.34 -3.62 -0.05 0.00 0.01 0.00 0.00 42.46 38.46 2gpf s ILE 31 CO 0.43 0.07 1.10 -2.65 0.00 0.00 0.00 174.94 173.89 2gpf n PRO 32 N 3.98 1.17 -1.91 2.79 -0.02 -1.26 -4.89 135.00 134.86 2gpf n PRO 32 Ca 0.11 0.44 -0.42 0.00 -2.02 0.00 0.00 63.50 61.61 2gpf n PRO 32 Cb 0.43 -2.29 -0.03 0.00 -0.02 0.00 0.00 33.50 31.59 2gpf n PRO 32 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2gpf s GLN 33 N -2.77 4.18 0.00 -0.52 -0.21 -1.26 -2.39 119.66 116.69 2gpf s GLN 33 Ca 0.74 2.32 0.00 0.00 0.02 0.00 0.00 55.36 58.44 2gpf s GLN 33 Cb -0.43 -3.94 0.00 0.00 1.00 0.00 0.00 33.01 29.64 2gpf s GLN 33 CO 0.48 -0.85 0.00 0.41 -2.12 0.00 0.00 175.29 173.21 2gpf n GLY 34 N 4.19 1.90 3.80 3.09 0.00 -1.26 -5.10 105.19 111.81 2gpf n GLY 34 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.59 3.16 0.03 1.61 0.52 -1.01 -4.49 118.94 117.18 2gpf s TRP 35 Ca 0.00 -0.02 0.07 0.00 0.02 0.00 0.00 56.10 56.17 2gpf s TRP 35 Cb 0.00 -1.51 -0.02 0.00 -1.15 0.00 0.00 33.47 30.78 2gpf s TRP 35 CO 0.00 0.52 -0.20 0.50 0.02 0.00 0.00 176.95 177.79 2gpf s ARG 36 N -3.13 1.39 0.15 4.98 6.06 0.59 -4.87 118.95 124.12 2gpf s ARG 36 Ca 0.31 -0.89 -0.31 0.00 -2.50 0.00 0.00 55.73 52.34 2gpf s ARG 36 Cb -0.10 -1.47 -0.09 0.00 0.06 0.00 0.00 34.95 33.35 2gpf s ARG 36 CO 0.24 0.38 1.41 0.00 -2.50 0.00 0.00 175.30 174.83 2gpf s ALA 37 N -0.75 3.62 -0.29 6.12 0.00 -1.26 0.49 121.76 129.69 2gpf s ALA 37 Ca 0.07 1.18 -0.03 0.00 0.00 0.00 0.00 51.96 53.18 2gpf s ALA 37 Cb -0.09 -3.55 0.04 0.00 0.00 0.00 0.00 23.12 19.52 2gpf s ALA 37 CO 0.01 -0.64 0.01 0.00 0.00 0.00 0.00 175.76 175.14 2gpf s ALA 38 N 0.88 2.86 -0.79 0.00 0.00 0.86 -4.82 121.76 120.74 2gpf s ALA 38 Ca 0.64 -1.63 -0.08 0.00 0.00 0.00 0.00 51.96 50.89 2gpf s ALA 38 Cb -0.38 -1.96 -0.27 0.00 0.00 0.00 0.00 23.12 20.51 2gpf s ALA 38 CO 0.33 -1.10 1.92 0.41 0.00 0.00 0.00 175.76 177.31 2gpf n GLY 39 N 4.70 -0.39 3.10 0.00 0.00 -1.26 -4.06 105.19 107.28 2gpf n GLY 39 Ca -0.14 -0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.92 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 6.65 0.28 0.07 1.61 2.47 -1.26 -5.03 119.74 124.53 2gpf s LYS 40 Ca 1.04 0.18 0.05 0.00 -1.56 0.00 0.00 55.97 55.68 2gpf s LYS 40 Cb -0.66 0.10 -0.03 0.00 -1.46 0.00 0.00 37.83 35.78 2gpf s LYS 40 CO 0.44 -0.49 -0.14 -1.54 0.16 0.00 0.00 175.35 173.78 2gpf s SER 41 N 2.73 1.65 0.00 1.43 1.04 -1.26 -1.95 113.70 117.34 2gpf s SER 41 Ca 0.21 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 56.04 2gpf s SER 41 Cb -0.03 -0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.04 2gpf s SER 41 CO -0.22 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.54 2gpf n GLY 42 N 1.31 -0.23 3.76 7.32 0.00 -0.63 -4.99 105.19 111.74 2gpf n GLY 42 Ca -0.21 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 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 3.50 0.29 0.99 2.01 -1.26 0.46 118.68 124.67 2gpf s LEU 43 Ca 0.00 2.14 0.03 0.00 0.01 0.00 0.00 54.13 56.31 2gpf s LEU 43 Cb 0.00 -4.57 0.66 0.00 0.01 0.00 0.00 46.19 42.29 2gpf s LEU 43 CO 0.00 -1.61 1.77 0.50 1.01 0.00 0.00 176.35 178.02 2gpf h LYS 44 N 0.37 0.71 -0.23 1.70 3.64 -1.90 0.62 116.57 121.48 2gpf h LYS 44 Ca -0.48 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 58.85 2gpf h LYS 44 Cb 1.26 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 2gpf h LYS 44 CO 0.54 0.47 0.12 1.57 -2.27 0.00 0.00 179.45 179.88 2gpf h LYS 45 N 0.73 0.31 -0.31 1.90 5.09 -1.92 -2.03 116.57 120.35 2gpf h LYS 45 Ca 0.54 -0.03 -0.14 0.00 0.09 0.00 0.00 60.65 61.11 2gpf h LYS 45 Cb 0.79 -0.07 -0.01 0.00 0.10 0.00 0.00 32.23 33.05 2gpf h LYS 45 CO -0.37 0.24 -0.39 0.22 -2.09 0.00 0.00 179.45 177.06 2gpf h ASP 46 N 0.32 0.77 -0.05 7.07 3.58 -1.22 -0.74 116.42 126.15 2gpf h ASP 46 Ca 0.08 -0.35 -0.18 0.00 0.42 0.00 0.00 57.03 57.01 2gpf h ASP 46 Cb 0.02 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 40.85 2gpf h ASP 46 CO -0.01 1.07 -0.59 0.00 -2.88 0.00 0.00 179.24 176.83 2gpf h LEU 48 N 0.49 0.79 -0.95 0.00 3.38 -1.18 -2.43 115.31 115.42 2gpf h LEU 48 Ca 0.00 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 57.93 2gpf h LEU 48 Cb 1.16 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.64 2gpf h LEU 48 CO 0.12 0.68 0.60 0.00 0.09 0.00 0.00 178.44 179.93 2gpf h ALA 49 N 1.15 1.32 -0.35 1.53 0.00 -0.93 -2.11 119.26 119.85 2gpf h ALA 49 Ca 0.22 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.18 2gpf h ALA 49 Cb 0.08 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.54 2gpf h ALA 49 CO -0.03 0.36 -0.04 -0.92 0.00 0.00 0.00 179.25 178.62 2gpf h TYR 50 N 1.08 -0.10 -0.48 0.00 3.20 -0.88 -1.73 116.97 118.07 2gpf h TYR 50 Ca 0.41 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.30 2gpf h TYR 50 Cb 0.19 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 2gpf h TYR 50 CO -0.01 -0.11 0.26 0.82 -1.64 0.00 0.00 178.16 177.47 2gpf h ILE 51 N 0.05 1.15 -0.57 1.81 5.03 -1.20 -1.96 117.51 121.82 2gpf h ILE 51 Ca 0.17 -0.39 0.02 0.00 -0.12 0.00 0.00 64.86 64.54 2gpf h ILE 51 Cb 0.25 0.51 -0.03 0.00 -3.03 0.00 0.00 36.82 34.52 2gpf h ILE 51 CO -0.32 0.17 0.36 -0.33 -0.68 0.00 0.00 178.15 177.35 2gpf h GLU 52 N 0.66 0.71 -0.32 2.37 5.08 -0.87 -3.32 114.58 118.89 2gpf h GLU 52 Ca 0.17 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.53 2gpf h GLU 52 Cb 0.03 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.06 2gpf h GLU 52 CO -0.03 0.47 -0.41 0.93 -1.00 0.00 0.00 179.01 178.97 2gpf h GLU 53 N 0.73 -0.26 0.07 2.33 4.39 -0.75 -3.47 114.58 117.61 2gpf h GLU 53 Ca 0.22 0.02 -0.36 0.00 0.34 0.00 0.00 59.36 59.57 2gpf h GLU 53 Cb -0.03 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.64 2gpf h GLU 53 CO -0.07 -0.18 -2.12 1.55 -1.16 0.00 0.00 179.01 177.03 2gpf n VAL 54 N -4.64 1.67 -1.72 3.13 3.14 -1.25 -2.83 118.33 115.82 2gpf n VAL 54 Ca -0.02 -0.66 -0.32 0.00 -2.96 0.00 0.00 64.34 60.37 2gpf n VAL 54 Cb 0.24 -1.51 0.05 0.00 -1.06 0.00 0.00 33.84 31.57 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 -3.34 3.09 -2.89 1.45 -0.00 -1.26 -4.55 117.44 109.94 2gpf n TRP 55 Ca -0.34 -2.71 -0.06 0.00 -0.00 0.00 0.00 57.50 54.38 2gpf n TRP 55 Cb 1.04 -1.00 0.01 0.00 -0.00 0.00 0.00 31.31 31.36 2gpf n TRP 55 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 177.69 177.94 2gpf n THR 56 N -0.76-10.95 -4.04 5.87 -2.24 -1.26 -5.03 114.28 95.87 2gpf n THR 56 Ca 0.54 0.68 -0.32 0.00 -2.27 0.00 0.00 64.05 62.68 2gpf n THR 56 Cb 0.66 -7.25 -0.06 0.00 -2.10 0.00 0.00 70.33 61.58 2gpf n THR 56 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2gpf s ASP 57 N -2.69 5.83 0.00 3.42 2.15 -1.13 -5.02 116.67 119.23 2gpf s ASP 57 Ca 0.20 0.17 0.18 0.00 0.43 0.00 0.00 52.55 53.53 2gpf s ASP 57 Cb -0.06 -1.70 -0.07 0.00 -0.30 0.00 0.00 42.92 40.80 2gpf s ASP 57 CO 0.77 0.25 0.87 0.80 -0.17 0.00 0.00 175.17 177.69 2gpf n MET 58 N 0.97 1.43 -2.09 4.34 0.00 -1.26 -4.92 117.12 115.58 2gpf n MET 58 Ca -0.11 -0.58 -0.38 0.00 -0.00 0.00 0.00 57.70 56.63 2gpf n MET 58 Cb 0.52 -1.34 0.01 0.00 0.00 0.00 0.00 33.22 32.41 2gpf n MET 58 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 175.97 174.99 2gpf s ARG 59 N -2.29 3.58 -1.00 2.12 1.70 -1.26 -4.81 118.95 116.99 2gpf s ARG 59 Ca 0.12 1.95 -0.26 0.00 -0.47 0.00 0.00 55.73 57.07 2gpf s ARG 59 Cb 0.14 -2.39 -0.19 0.00 -0.57 0.00 0.00 34.95 31.94 2gpf s ARG 59 CO 0.55 -0.75 2.19 -2.14 -1.08 0.00 0.00 175.30 174.08 2gpf s PRO 60 N -2.72 1.37 0.17 3.89 0.02 -1.26 -4.61 135.00 131.86 2gpf s PRO 60 Ca 0.65 -0.18 0.23 0.00 0.02 0.00 0.00 61.00 61.72 2gpf s PRO 60 Cb -0.33 -4.93 0.01 0.00 0.02 0.00 0.00 34.50 29.26 2gpf s PRO 60 CO 0.40 -5.10 1.02 1.47 -0.33 0.00 0.00 177.00 174.46 2gpf n LEU 61 N 19.11 0.75 0.10 -5.54 -0.00 -1.26 -4.22 117.00 125.94 2gpf n LEU 61 Ca 0.43 0.27 -0.04 0.00 -0.00 0.00 0.00 56.01 56.67 2gpf n LEU 61 Cb 0.46 -0.07 0.05 0.00 -0.00 0.00 0.00 43.42 43.86 2gpf n LEU 61 CO 0.58 -0.15 0.35 -1.28 -0.00 0.00 0.00 177.39 176.90 2gpf h SER 62 N 0.00 0.06 0.28 1.45 0.87 -1.97 0.67 113.55 114.91 2gpf h SER 62 Ca 0.00 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 2gpf h SER 62 Cb 0.96 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 2gpf h SER 62 CO 0.00 0.81 -0.10 0.00 -0.53 0.00 0.00 176.83 177.00 2gpf n LEU 63 N -3.66 0.60 -0.12 2.23 -0.00 -1.26 -3.93 117.00 110.86 2gpf n LEU 63 Ca -0.01 -0.08 -0.24 0.00 -0.00 0.00 0.00 56.01 55.68 2gpf n LEU 63 Cb 0.74 -0.14 -0.10 0.00 -0.00 0.00 0.00 43.42 43.92 2gpf n LEU 63 CO 0.45 0.11 -1.00 0.54 -0.00 0.00 0.00 177.39 177.48 2gpf n ARG 64 N -0.80 0.57 0.00 1.47 1.74 -0.85 -4.71 116.66 114.07 2gpf n ARG 64 Ca 0.16 0.39 0.00 0.00 -0.77 0.00 0.00 57.85 57.63 2gpf n ARG 64 Cb 0.28 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 2gpf n ARG 64 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2gpf n GLN 65 N -4.35 0.00 -0.11 5.56 6.02 0.17 -3.38 117.38 121.29 2gpf n GLN 65 Ca -0.42 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.38 2gpf n GLN 65 Cb 0.76 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.94 2gpf n GLN 65 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2gpf n HIS 66 N -1.40 0.33 0.05 1.08 8.25 -1.26 -4.54 115.22 117.73 2gpf n HIS 66 Ca 0.00 0.14 -0.09 0.00 -0.26 0.00 0.00 57.72 57.51 2gpf n HIS 66 Cb 0.00 -0.87 0.04 0.00 1.12 0.00 0.00 29.99 30.29 2gpf n HIS 66 CO 0.00 0.00 0.00 1.98 0.64 0.00 0.00 176.34 178.96 2gpf h MET 67 N -1.00 0.42 -1.52 -0.41 1.85 -2.03 -3.50 114.93 108.74 2gpf h MET 67 Ca -0.37 -0.32 0.16 0.00 -0.61 0.00 0.00 59.70 58.57 2gpf h MET 67 Cb 1.26 0.06 -0.07 0.00 0.43 0.00 0.00 31.60 33.28 2gpf h MET 67 CO -0.22 0.95 -0.44 -3.47 -0.40 0.00 0.00 176.91 173.32 2gpf n ASP 68 N -3.87 -3.80 0.03 1.39 -0.08 -1.22 -4.47 116.55 104.54 2gpf n ASP 68 Ca -0.04 0.50 0.14 0.00 -1.51 0.00 0.00 54.79 53.88 2gpf n ASP 68 Cb 0.68 -2.11 0.55 0.00 2.34 0.00 0.00 41.12 42.57 2gpf n ASP 68 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2gpf n LYS 69 N -3.26 0.08 -2.20 -0.67 4.76 -1.26 -4.90 118.16 110.71 2gpf n LYS 69 Ca -0.02 0.07 -0.15 0.00 -2.87 0.00 0.00 58.31 55.34 2gpf n LYS 69 Cb 0.30 -1.59 -0.01 0.00 -1.84 0.00 0.00 35.03 31.89 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 -1.59 -0.41 -2.15 7.82 0.00 -1.26 -4.93 120.51 118.00 2gpf n ALA 70 Ca 0.07 0.13 -0.42 0.00 0.00 0.00 0.00 53.44 53.22 2gpf n ALA 70 Cb 0.36 -1.68 -0.03 0.00 0.00 0.00 0.00 19.45 18.11 2gpf n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gpf s ALA 71 N -2.71 2.74 0.00 0.00 0.00 -1.26 -5.31 121.76 115.22 2gpf s ALA 71 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.78 2gpf s ALA 71 Cb 0.00 -4.08 0.00 0.00 0.00 0.00 0.00 23.12 19.04 2gpf s ALA 71 CO 0.00 -2.91 0.24 0.41 0.00 0.00 0.00 175.76 173.50