#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gaq s LEU 2 N 0.00 -0.56 -0.16 -1.84 2.34 -1.26 -4.53 118.68 112.66 2gaq s LEU 2 Ca 0.00 0.85 -0.14 0.00 0.06 0.00 0.00 54.13 54.90 2gaq s LEU 2 Cb 0.00 1.75 -0.07 0.00 -0.56 0.00 0.00 46.19 47.31 2gaq s LEU 2 CO 0.00 -0.13 -0.29 -0.38 -1.06 0.00 0.00 176.35 174.49 2gaq n ILE 3 N 4.20 1.39 -0.12 1.48 -0.00 -1.26 -4.79 119.36 120.26 2gaq n ILE 3 Ca -0.15 0.02 -0.24 0.00 -0.00 0.00 0.00 62.75 62.38 2gaq n ILE 3 Cb 0.56 -2.09 -0.09 0.00 -0.00 0.00 0.00 39.64 38.02 2gaq n ILE 3 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 2gaq n ARG 4 N -4.21 0.52 -0.80 0.38 5.12 -1.26 -4.89 116.66 111.52 2gaq n ARG 4 Ca -0.22 0.21 -0.04 0.00 -1.93 0.00 0.00 57.85 55.86 2gaq n ARG 4 Cb 0.56 -1.37 -0.04 0.00 -1.16 0.00 0.00 32.46 30.44 2gaq n ARG 4 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 2gaq n VAL 5 N -3.93 0.00 -1.79 1.55 3.14 -1.26 -4.97 118.33 111.07 2gaq n VAL 5 Ca -0.46 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 60.77 2gaq n VAL 5 Cb 0.85 0.32 -0.04 0.00 -1.06 0.00 0.00 33.84 33.91 2gaq n VAL 5 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2gaq n ALA 6 N 0.00 -0.41 -0.07 1.55 0.00 -1.26 -4.88 120.51 115.44 2gaq n ALA 6 Ca -0.18 0.19 -0.06 0.00 0.00 0.00 0.00 53.44 53.39 2gaq n ALA 6 Cb 0.58 -1.56 -0.04 0.00 0.00 0.00 0.00 19.45 18.43 2gaq n ALA 6 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 2gaq h ILE 7 N 0.00 0.00 -0.32 0.00 6.09 -1.93 -3.45 117.51 117.89 2gaq h ILE 7 Ca -0.31 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.18 2gaq h ILE 7 Cb 1.05 0.00 0.00 0.00 0.47 0.00 0.00 36.82 38.34 2gaq h ILE 7 CO 0.42 0.00 0.00 0.18 -3.07 0.00 0.00 178.15 175.68 2gaq n LEU 8 N -3.87 0.00 0.00 2.19 7.99 -1.26 -4.21 117.00 117.83 2gaq n LEU 8 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.99 2gaq n LEU 8 Cb 0.15 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.46 2gaq n LEU 8 CO -0.00 -0.16 -0.45 0.79 -1.51 0.00 0.00 177.39 176.06 2gaq n TRP 9 N 0.00 0.00 -0.20 -1.77 8.01 -1.26 -4.64 117.44 117.58 2gaq n TRP 9 Ca 0.00 0.00 0.11 0.00 -1.31 0.00 0.00 57.50 56.30 2gaq n TRP 9 Cb 0.00 0.00 0.42 0.00 -2.01 0.00 0.00 31.31 29.72 2gaq n TRP 9 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.69 177.93 2gaq h HIS 10 N 0.00 0.68 0.07 -5.99 -0.00 -1.91 -0.90 115.15 107.10 2gaq h HIS 10 Ca 0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.38 2gaq h HIS 10 Cb 0.89 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 28.09 2gaq h HIS 10 CO 0.00 0.29 -0.04 0.93 -0.00 0.00 0.00 177.93 179.12 2gaq h GLU 11 N 0.61 -0.10 0.00 5.26 4.39 -1.84 -2.13 114.58 120.77 2gaq h GLU 11 Ca 0.37 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 60.04 2gaq h GLU 11 Cb 0.59 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2gaq h GLU 11 CO -0.14 0.12 -0.16 0.00 -1.16 0.00 0.00 179.01 177.67 2gaq h MET 12 N -0.30 0.00 -0.44 2.33 -0.00 -1.58 -2.18 114.93 112.77 2gaq h MET 12 Ca -0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.66 2gaq h MET 12 Cb 0.26 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.84 2gaq h MET 12 CO 0.02 0.16 0.15 -1.49 -0.00 0.00 0.00 176.91 175.75 2gaq h TRP 13 N 0.00 0.63 0.00 -0.10 4.06 -0.52 0.78 115.95 120.80 2gaq h TRP 13 Ca -0.00 -0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.92 2gaq h TRP 13 Cb 0.40 -0.20 -0.00 0.00 -1.00 0.00 0.00 29.16 28.36 2gaq h TRP 13 CO 0.00 0.51 -0.01 0.45 -3.56 0.00 0.00 178.44 175.84 2gaq h HIS 14 N 0.62 -0.01 -0.09 0.49 3.86 -1.07 0.21 115.15 119.16 2gaq h HIS 14 Ca 0.15 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.16 2gaq h HIS 14 Cb 0.17 0.01 -0.00 0.00 1.06 0.00 0.00 27.41 28.64 2gaq h HIS 14 CO 0.01 -0.01 -0.76 1.05 0.86 0.00 0.00 177.93 179.08 2gaq h GLU 15 N -0.01 0.51 -0.25 2.45 4.11 -1.69 -1.71 114.58 117.99 2gaq h GLU 15 Ca -0.00 -0.43 0.05 0.00 0.07 0.00 0.00 59.36 59.06 2gaq h GLU 15 Cb 0.01 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2gaq h GLU 15 CO -0.00 1.06 0.17 0.78 0.07 0.00 0.00 179.01 181.09 2gaq h GLY 16 N 1.09 0.12 1.37 1.06 0.00 0.65 0.99 103.07 108.35 2gaq h GLY 16 Ca -0.04 -0.04 -0.28 0.00 0.00 0.00 0.00 47.33 46.97 2gaq h GLY 16 CO 0.14 0.03 -1.44 1.41 0.00 0.00 0.00 176.54 176.68 2gaq h LEU 17 N 0.10 0.21 0.34 3.11 3.38 -0.55 -3.23 115.31 118.67 2gaq h LEU 17 Ca 0.11 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 2gaq h LEU 17 Cb 0.33 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2gaq h LEU 17 CO -0.01 1.25 -0.16 -0.08 0.09 0.00 0.00 178.44 179.52 2gaq h GLU 18 N 0.04 -0.43 -0.36 1.13 4.81 -0.11 0.75 114.58 120.40 2gaq h GLU 18 Ca -0.19 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.17 2gaq h GLU 18 Cb 1.95 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 31.42 2gaq h GLU 18 CO 0.14 -0.14 0.31 1.49 -0.73 0.00 0.00 179.01 180.07 2gaq h GLU 19 N -1.00 0.00 0.00 1.92 4.57 0.72 0.55 114.58 121.34 2gaq h GLU 19 Ca -0.05 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.09 2gaq h GLU 19 Cb 0.49 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 2gaq h GLU 19 CO 0.08 0.00 -0.36 0.00 -1.18 0.00 0.00 179.01 177.55 2gaq h ALA 20 N 1.72 0.06 -0.42 2.92 0.00 -1.55 -3.15 119.26 118.83 2gaq h ALA 20 Ca 0.17 -0.50 0.11 0.00 0.00 0.00 0.00 54.91 54.69 2gaq h ALA 20 Cb 0.79 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2gaq h ALA 20 CO -0.00 0.24 0.30 0.66 0.00 0.00 0.00 179.25 180.45 2gaq h SER 21 N -1.00 0.06 -0.29 0.00 4.64 0.11 -0.77 113.55 116.30 2gaq h SER 21 Ca -0.07 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.10 2gaq h SER 21 Cb 0.68 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.76 2gaq h SER 21 CO -0.04 0.03 -0.41 -0.09 -0.87 0.00 0.00 176.83 175.45 2gaq h ARG 22 N 0.06 0.79 0.00 4.77 2.43 -0.06 1.10 114.38 123.48 2gaq h ARG 22 Ca 0.20 -0.46 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 2gaq h ARG 22 Cb 0.71 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 2gaq h ARG 22 CO -0.01 1.09 0.02 1.28 -1.51 0.00 0.00 179.97 180.83 2gaq n LEU 23 N -4.14 0.38 -0.04 3.80 7.99 -0.31 -2.02 117.00 122.66 2gaq n LEU 23 Ca -0.04 0.67 -0.05 0.00 -0.01 0.00 0.00 56.01 56.58 2gaq n LEU 23 Cb 0.55 -0.71 -0.04 0.00 -0.11 0.00 0.00 43.42 43.10 2gaq n LEU 23 CO 0.47 -0.80 -0.76 0.00 -1.51 0.00 0.00 177.39 174.80 2gaq n TYR 24 N -2.01 0.00 -0.17 -1.77 9.36 -0.84 -0.54 117.16 121.19 2gaq n TYR 24 Ca -0.01 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.16 2gaq n TYR 24 Cb 0.04 -0.32 0.01 0.00 -0.63 0.00 0.00 39.34 38.44 2gaq n TYR 24 CO 0.00 0.00 0.00 0.35 0.22 0.00 0.00 176.86 177.43 2gaq h PHE 25 N 0.00 -0.79 0.00 2.98 3.04 0.19 -3.31 116.94 119.05 2gaq h PHE 25 Ca -0.19 0.06 -0.11 0.00 3.98 0.00 0.00 57.97 61.72 2gaq h PHE 25 Cb 1.32 0.42 -0.18 0.00 2.56 0.00 0.00 35.95 40.07 2gaq h PHE 25 CO 0.01 -0.36 -0.54 0.41 -2.02 0.00 0.00 178.31 175.81 2gaq n GLY 26 N -1.43 0.75 0.01 2.40 0.00 -1.12 -4.90 105.19 100.91 2gaq n GLY 26 Ca 0.04 -0.30 0.05 0.00 0.00 0.00 0.00 46.02 45.81 2gaq n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2gaq n GLU 27 N 0.18 0.47 -2.48 1.61 4.71 -1.12 -5.01 120.64 119.00 2gaq n GLU 27 Ca -0.07 -0.09 -0.09 0.00 -0.01 0.00 0.00 57.16 56.89 2gaq n GLU 27 Cb 0.83 -1.26 -0.00 0.00 -1.01 0.00 0.00 31.44 29.99 2gaq n GLU 27 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2gaq n ARG 28 N -1.92 -2.49 -3.41 3.49 1.74 -1.08 -4.84 116.66 108.14 2gaq n ARG 28 Ca -0.03 0.41 -0.26 0.00 -0.77 0.00 0.00 57.85 57.19 2gaq n ARG 28 Cb 0.33 -4.98 -0.08 0.00 -1.02 0.00 0.00 32.46 26.71 2gaq n ARG 28 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2gaq n ASN 29 N -1.72 2.43 0.26 0.55 2.85 0.30 -4.88 115.26 115.06 2gaq n ASN 29 Ca -0.10 -3.15 0.18 0.00 -0.11 0.00 0.00 54.58 51.41 2gaq n ASN 29 Cb 0.57 -0.67 0.88 0.00 1.24 0.00 0.00 39.78 41.81 2gaq n ASN 29 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 2gaq h VAL 30 N 3.08 0.21 -0.71 3.44 2.07 -1.89 0.27 116.25 122.72 2gaq h VAL 30 Ca 0.16 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.65 2gaq h VAL 30 Cb 0.75 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 2gaq h VAL 30 CO 0.69 0.00 0.30 0.50 0.02 0.00 0.00 177.57 179.08 2gaq h LYS 31 N 0.00 1.05 0.27 1.57 1.63 -1.89 -1.87 116.57 117.32 2gaq h LYS 31 Ca 0.06 -0.18 -0.01 0.00 -0.85 0.00 0.00 60.65 59.66 2gaq h LYS 31 Cb 0.56 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 2gaq h LYS 31 CO -0.00 0.85 -0.13 0.78 -3.45 0.00 0.00 179.45 177.50 2gaq h GLY 32 N 1.00 -0.38 1.46 5.01 0.00 -1.27 -2.55 103.07 106.34 2gaq h GLY 32 Ca 0.24 0.14 0.08 0.00 0.00 0.00 0.00 47.33 47.79 2gaq h GLY 32 CO -0.02 -0.14 0.19 0.00 0.00 0.00 0.00 176.54 176.57 2gaq h MET 33 N -0.54 0.00 0.00 4.80 -0.00 -1.53 0.15 114.93 117.82 2gaq h MET 33 Ca -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.65 2gaq h MET 33 Cb 0.40 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.00 2gaq h MET 33 CO 0.06 0.00 -0.04 0.35 -0.00 0.00 0.00 176.91 177.28 2gaq h PHE 34 N 0.00 0.00 0.00 -0.10 3.04 -0.90 0.51 116.94 119.49 2gaq h PHE 34 Ca 0.13 0.00 -0.24 0.00 3.98 0.00 0.00 57.97 61.84 2gaq h PHE 34 Cb 0.51 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 38.98 2gaq h PHE 34 CO 0.00 0.04 -1.45 1.49 -2.02 0.00 0.00 178.31 176.37 2gaq h GLU 35 N 0.00 0.00 0.02 1.11 4.57 -0.62 0.22 114.58 119.89 2gaq h GLU 35 Ca -0.00 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.86 2gaq h GLU 35 Cb 0.15 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.69 2gaq h GLU 35 CO 0.01 0.51 -1.91 1.55 -1.18 0.00 0.00 179.01 177.99 2gaq n VAL 36 N -3.06 1.61 0.14 0.32 3.14 -0.68 -4.03 118.33 115.77 2gaq n VAL 36 Ca -0.11 -0.77 0.05 0.00 -2.96 0.00 0.00 64.34 60.55 2gaq n VAL 36 Cb 0.96 -1.10 0.05 0.00 -1.06 0.00 0.00 33.84 32.68 2gaq n VAL 36 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2gaq h LEU 37 N 0.01 0.00 -0.41 6.55 -0.00 -0.15 -3.29 115.31 118.02 2gaq h LEU 37 Ca -0.37 0.00 0.09 0.00 -0.00 0.00 0.00 57.88 57.60 2gaq h LEU 37 Cb 2.05 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 42.62 2gaq h LEU 37 CO 0.07 0.34 -0.24 -0.33 -0.00 0.00 0.00 178.44 178.27 2gaq h GLU 38 N 0.00 -0.16 -0.01 1.13 4.39 -1.08 0.12 114.58 118.96 2gaq h GLU 38 Ca -0.02 0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.57 2gaq h GLU 38 Cb 1.28 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.95 2gaq h GLU 38 CO 0.04 -0.11 -0.56 -1.00 -1.16 0.00 0.00 179.01 176.23 2gaq h PRO 39 N -0.17 0.03 0.00 2.33 0.13 -1.74 -2.64 132.00 129.94 2gaq h PRO 39 Ca 0.19 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2gaq h PRO 39 Cb 0.48 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.61 2gaq h PRO 39 CO -0.51 0.58 0.00 1.28 -0.23 0.00 0.00 178.00 179.12 2gaq n LEU 40 N -3.88 0.08 0.04 1.56 4.77 0.05 0.71 117.00 120.33 2gaq n LEU 40 Ca -0.01 0.52 -0.13 0.00 -0.03 0.00 0.00 56.01 56.36 2gaq n LEU 40 Cb 0.57 -0.51 -0.14 0.00 -2.33 0.00 0.00 43.42 41.01 2gaq n LEU 40 CO 0.42 -0.27 -0.28 0.45 -1.33 0.00 0.00 177.39 176.38 2gaq h HIS 41 N 0.00 0.23 0.09 -1.77 3.86 -0.50 -3.22 115.15 113.85 2gaq h HIS 41 Ca 0.00 -0.17 -0.37 0.00 -1.16 0.00 0.00 60.37 58.67 2gaq h HIS 41 Cb 0.29 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.72 2gaq h HIS 41 CO 0.00 1.21 -2.07 0.00 0.86 0.00 0.00 177.93 177.93 2gaq n ALA 42 N -2.57 1.00 0.21 2.45 0.00 -0.51 -2.75 120.51 118.33 2gaq n ALA 42 Ca -0.13 -0.70 0.07 0.00 0.00 0.00 0.00 53.44 52.69 2gaq n ALA 42 Cb 1.02 -0.54 0.36 0.00 0.00 0.00 0.00 19.45 20.29 2gaq n ALA 42 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2gaq n MET 43 N -3.51 0.09 -0.03 0.00 2.00 0.22 -0.30 117.12 115.60 2gaq n MET 43 Ca -0.35 0.50 0.03 0.00 0.00 0.00 0.00 57.70 57.88 2gaq n MET 43 Cb 1.01 -1.75 0.04 0.00 0.00 0.00 0.00 33.22 32.53 2gaq n MET 43 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 2gaq n MET 44 N -1.93 0.74 -0.02 0.03 2.81 -1.21 -4.76 117.12 112.77 2gaq n MET 44 Ca 0.00 -1.15 -0.02 0.00 -1.81 0.00 0.00 57.70 54.72 2gaq n MET 44 Cb 0.08 -1.13 -0.02 0.00 -0.71 0.00 0.00 33.22 31.44 2gaq n MET 44 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2gaq n GLU 45 N 0.28 1.71 -0.27 0.03 2.13 -0.34 -4.60 120.64 119.58 2gaq n GLU 45 Ca 0.05 0.01 0.23 0.00 0.66 0.00 0.00 57.16 58.10 2gaq n GLU 45 Cb 0.21 -1.09 0.55 0.00 0.27 0.00 0.00 31.44 31.38 2gaq n GLU 45 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 2gaq h ARG 46 N 0.00 0.32 0.00 5.31 1.12 -0.93 -3.47 114.38 116.73 2gaq h ARG 46 Ca -0.10 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.75 2gaq h ARG 46 Cb 1.19 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 31.07 2gaq h ARG 46 CO -0.01 0.21 0.00 0.41 -3.11 0.00 0.00 179.97 177.48 2gaq n GLY 47 N -1.54 2.98 3.75 2.80 0.00 -1.26 -5.06 105.19 106.86 2gaq n GLY 47 Ca 0.22 -1.83 -0.34 0.00 0.00 0.00 0.00 46.02 44.06 2gaq n GLY 47 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gaq s PRO 48 N -3.60 2.70 0.00 1.61 0.04 -1.26 -5.01 135.00 129.48 2gaq s PRO 48 Ca 0.00 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.68 2gaq s PRO 48 Cb 0.00 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2gaq s PRO 48 CO 0.00 -1.37 0.00 0.94 0.04 0.00 0.00 177.00 176.61 2gaq n GLN 49 N -2.17 0.00 0.00 4.56 -0.06 -1.26 -5.00 117.38 113.44 2gaq n GLN 49 Ca 0.12 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.12 2gaq n GLN 49 Cb 0.51 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.69 2gaq n GLN 49 CO 0.00 0.00 0.00 -2.37 -0.20 0.00 0.00 177.06 174.49 2gaq n THR 50 N -0.51 0.00 -2.28 1.69 5.66 -1.26 -4.98 114.28 112.60 2gaq n THR 50 Ca 0.00 0.12 -0.00 0.00 -3.05 0.00 0.00 64.05 61.12 2gaq n THR 50 Cb 0.00 -0.93 0.01 0.00 -1.55 0.00 0.00 70.33 67.85 2gaq n THR 50 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 2gaq n LEU 51 N 0.00 -0.10 -0.00 1.09 0.00 -1.26 -5.02 117.00 111.71 2gaq n LEU 51 Ca 0.00 -0.92 -0.00 0.00 0.00 0.00 0.00 56.01 55.09 2gaq n LEU 51 Cb 0.00 0.71 -0.00 0.00 0.00 0.00 0.00 43.42 44.13 2gaq n LEU 51 CO 0.00 0.94 -0.50 0.29 0.00 0.00 0.00 177.39 178.11 2gaq n LYS 52 N -0.09 0.00 -1.15 1.96 5.02 -1.26 -4.83 118.16 117.81 2gaq n LYS 52 Ca -0.01 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.95 2gaq n LYS 52 Cb 0.47 -0.72 -0.04 0.00 -0.02 0.00 0.00 35.03 34.72 2gaq n LYS 52 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2gaq n GLU 53 N -2.79 3.20 -2.71 1.97 0.00 -1.26 -4.14 120.64 114.92 2gaq n GLU 53 Ca -0.00 -1.93 -0.07 0.00 0.00 0.00 0.00 57.16 55.15 2gaq n GLU 53 Cb 0.50 -2.65 0.10 0.00 0.00 0.00 0.00 31.44 29.38 2gaq n GLU 53 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 2gaq n THR 54 N 3.62 0.00 -0.06 3.84 -1.04 -1.26 -4.67 114.28 114.71 2gaq n THR 54 Ca 0.68 -1.35 -0.03 0.00 -2.04 0.00 0.00 64.05 61.31 2gaq n THR 54 Cb 0.26 1.20 -0.14 0.00 -1.82 0.00 0.00 70.33 69.83 2gaq n THR 54 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2gaq n SER 55 N -0.05 0.65 -0.09 8.00 2.88 -1.26 -4.31 113.62 119.44 2gaq n SER 55 Ca -0.01 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.31 2gaq n SER 55 Cb 0.76 1.24 -0.12 0.00 -0.75 0.00 0.00 64.21 65.33 2gaq n SER 55 CO 0.00 0.00 0.00 2.19 -1.23 0.00 0.00 175.04 176.00 2gaq h PHE 56 N 0.00 0.04 0.00 0.66 -5.15 -1.92 -3.34 116.94 107.23 2gaq h PHE 56 Ca -0.32 -0.03 0.00 0.00 -0.20 0.00 0.00 57.97 57.41 2gaq h PHE 56 Cb 1.70 -0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.86 2gaq h PHE 56 CO 0.00 1.49 0.00 -2.95 -2.00 0.00 0.00 178.31 174.85 2gaq h ASN 57 N -0.91 0.00 -0.19 -0.68 -1.07 -1.84 0.40 115.58 111.28 2gaq h ASN 57 Ca -0.34 0.00 -0.08 0.00 0.07 0.00 0.00 56.30 55.95 2gaq h ASN 57 Cb 1.35 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.60 2gaq h ASN 57 CO -0.18 0.00 -0.20 -0.61 0.07 0.00 0.00 177.43 176.52 2gaq h GLN 58 N 0.00 0.47 0.00 4.14 -0.00 -1.75 -3.38 115.11 114.59 2gaq h GLN 58 Ca 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 58.65 58.40 2gaq h GLN 58 Cb 0.38 0.01 0.00 0.00 0.00 0.00 0.00 27.48 27.87 2gaq h GLN 58 CO 0.00 0.83 -0.08 0.00 0.00 0.00 0.00 178.83 179.57 2gaq n ALA 59 N -2.45 3.00 -0.28 3.38 0.00 -0.71 -4.72 120.51 118.74 2gaq n ALA 59 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2gaq n ALA 59 Cb 0.40 0.27 0.00 0.00 0.00 0.00 0.00 19.45 20.12 2gaq n ALA 59 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2gaq n TYR 60 N -3.46 0.00 0.23 0.00 4.02 0.13 -4.43 117.16 113.65 2gaq n TYR 60 Ca 0.00 -0.60 0.14 0.00 -0.01 0.00 0.00 57.90 57.43 2gaq n TYR 60 Cb 0.04 -0.40 0.71 0.00 -0.02 0.00 0.00 39.34 39.68 2gaq n TYR 60 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 2gaq h GLY 61 N 3.39 0.00 -0.10 2.72 0.00 -1.53 -0.45 103.07 107.10 2gaq h GLY 61 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2gaq h GLY 61 CO 0.00 0.00 -0.79 0.54 0.00 0.00 0.00 176.54 176.29 2gaq n ARG 62 N -2.46 1.15 0.00 4.80 5.12 -1.26 -4.18 116.66 119.82 2gaq n ARG 62 Ca -0.01 -0.11 0.00 0.00 -1.93 0.00 0.00 57.85 55.80 2gaq n ARG 62 Cb 0.08 -1.35 0.00 0.00 -1.16 0.00 0.00 32.46 30.03 2gaq n ARG 62 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2gaq n ASP 63 N -1.26 0.00 -0.29 0.55 -0.08 -0.18 -4.08 116.55 111.21 2gaq n ASP 63 Ca 0.04 0.00 0.26 0.00 -1.51 0.00 0.00 54.79 53.58 2gaq n ASP 63 Cb 0.29 0.00 0.61 0.00 2.34 0.00 0.00 41.12 44.36 2gaq n ASP 63 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2gaq h LEU 64 N 0.00 0.25 -0.63 -2.67 6.46 -1.83 0.28 115.31 117.17 2gaq h LEU 64 Ca 0.00 0.04 0.12 0.00 -0.12 0.00 0.00 57.88 57.92 2gaq h LEU 64 Cb 0.00 0.00 -0.12 0.00 -0.73 0.00 0.00 40.66 39.81 2gaq h LEU 64 CO 0.00 0.06 -0.27 -0.03 -0.62 0.00 0.00 178.44 177.58 2gaq h MET 65 N 0.23 -0.10 0.12 1.25 4.05 -1.82 0.65 114.93 119.32 2gaq h MET 65 Ca 0.54 0.01 -0.28 0.00 -0.28 0.00 0.00 59.70 59.69 2gaq h MET 65 Cb 1.68 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 32.50 2gaq h MET 65 CO -0.16 -0.06 -1.26 1.49 0.23 0.00 0.00 176.91 177.14 2gaq h GLU 66 N -0.10 0.26 0.00 0.39 4.81 -0.67 -0.84 114.58 118.42 2gaq h GLU 66 Ca 0.27 -0.44 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 2gaq h GLU 66 Cb 0.53 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.08 2gaq h GLU 66 CO -0.69 1.20 0.00 0.00 -0.73 0.00 0.00 179.01 178.79 2gaq n ALA 67 N -2.54 1.35 -0.09 2.92 0.00 -0.23 -1.72 120.51 120.20 2gaq n ALA 67 Ca -0.09 0.14 -0.10 0.00 0.00 0.00 0.00 53.44 53.39 2gaq n ALA 67 Cb 1.02 -1.34 -0.12 0.00 0.00 0.00 0.00 19.45 19.01 2gaq n ALA 67 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2gaq n GLN 68 N -2.23 1.07 0.23 0.00 0.00 0.22 -4.58 117.38 112.09 2gaq n GLN 68 Ca 0.00 0.03 0.16 0.00 -0.00 0.00 0.00 57.00 57.19 2gaq n GLN 68 Cb 0.13 -1.43 0.68 0.00 0.00 0.00 0.00 30.24 29.62 2gaq n GLN 68 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 2gaq h GLU 69 N 0.00 0.00 -0.80 3.69 4.22 -0.26 -1.80 114.58 119.62 2gaq h GLU 69 Ca -0.46 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.98 2gaq h GLU 69 Cb 1.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.19 2gaq h GLU 69 CO -0.00 0.00 0.00 -2.67 -2.18 0.00 0.00 179.01 174.16 2gaq n TRP 70 N -2.76 0.00 0.10 0.92 -0.00 -0.82 -4.08 117.44 110.80 2gaq n TRP 70 Ca 0.01 -0.06 -0.13 0.00 -0.00 0.00 0.00 57.50 57.31 2gaq n TRP 70 Cb 0.24 -0.09 -0.08 0.00 -0.00 0.00 0.00 31.31 31.38 2gaq n TRP 70 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2gaq n ARG 72 N -5.13 0.15 -0.03 0.00 5.12 -1.26 -0.53 116.66 114.97 2gaq n ARG 72 Ca -0.08 0.14 -0.06 0.00 -1.93 0.00 0.00 57.85 55.91 2gaq n ARG 72 Cb 0.13 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 29.91 2gaq n ARG 72 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2gaq n LYS 73 N -1.18 0.30 0.31 5.56 4.76 -0.60 -3.76 118.16 123.56 2gaq n LYS 73 Ca 0.04 0.12 0.20 0.00 -2.87 0.00 0.00 58.31 55.81 2gaq n LYS 73 Cb 0.04 -1.03 0.97 0.00 -1.84 0.00 0.00 35.03 33.17 2gaq n LYS 73 CO 0.00 0.00 0.00 0.10 -1.37 0.00 0.00 177.40 176.13 2gaq h TYR 74 N -0.57 0.00 0.12 2.13 -0.00 0.81 0.40 116.97 119.86 2gaq h TYR 74 Ca -0.04 0.00 -0.35 0.00 -0.00 0.00 0.00 58.73 58.34 2gaq h TYR 74 Cb 0.64 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.35 2gaq h TYR 74 CO -0.23 0.00 -1.91 1.98 -0.00 0.00 0.00 178.16 178.01 2gaq h MET 75 N 0.00 0.25 0.00 0.10 4.05 -0.99 -3.20 114.93 115.14 2gaq h MET 75 Ca -0.00 -0.42 -0.34 0.00 -0.28 0.00 0.00 59.70 58.66 2gaq h MET 75 Cb 0.24 0.16 -0.05 0.00 -0.80 0.00 0.00 31.60 31.15 2gaq h MET 75 CO 0.00 1.20 -1.95 1.17 0.23 0.00 0.00 176.91 177.56 2gaq n LYS 76 N -3.59 0.57 0.04 0.39 3.00 -1.12 -4.47 118.16 112.98 2gaq n LYS 76 Ca -0.32 0.36 -0.18 0.00 -0.00 0.00 0.00 58.31 58.18 2gaq n LYS 76 Cb 1.01 -1.57 -0.08 0.00 0.00 0.00 0.00 35.03 34.39 2gaq n LYS 76 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2gaq h SER 77 N -1.00 0.83 -4.52 3.14 0.87 -0.52 -3.47 113.55 108.88 2gaq h SER 77 Ca -0.51 -0.64 -0.22 0.00 -1.23 0.00 0.00 61.79 59.19 2gaq h SER 77 Cb 1.42 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 63.10 2gaq h SER 77 CO -0.31 1.44 -0.29 0.61 -0.53 0.00 0.00 176.83 177.75 2gaq n GLY 78 N 0.98 -0.49 3.57 5.77 0.00 0.21 -4.86 105.19 110.37 2gaq n GLY 78 Ca -0.09 0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 2gaq n GLY 78 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2gaq s ASN 79 N -2.18 6.29 0.65 1.61 2.47 -1.26 -4.91 114.94 117.61 2gaq s ASN 79 Ca 0.09 0.06 0.23 0.00 0.42 0.00 0.00 52.86 53.67 2gaq s ASN 79 Cb -0.05 -2.24 1.22 0.00 -1.45 0.00 0.00 41.25 38.72 2gaq s ASN 79 CO 0.12 -0.37 1.68 0.58 -3.72 0.00 0.00 177.10 175.39 2gaq h VAL 80 N 5.53 0.07 0.00 -5.21 2.07 -1.98 0.22 116.25 116.96 2gaq h VAL 80 Ca -0.29 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2gaq h VAL 80 Cb 1.14 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 2gaq h VAL 80 CO 0.72 0.00 0.01 0.11 0.02 0.00 0.00 177.57 178.44 2gaq h LYS 81 N 0.00 0.00 0.00 1.57 1.79 -1.99 0.33 116.57 118.27 2gaq h LYS 81 Ca 0.08 0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 58.19 2gaq h LYS 81 Cb 1.20 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.79 2gaq h LYS 81 CO -0.00 0.00 -2.30 -0.25 -1.08 0.00 0.00 179.45 175.82 2gaq n ASP 82 N -2.41 2.09 -0.21 0.86 8.00 0.77 -4.57 116.55 121.08 2gaq n ASP 82 Ca -0.02 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.56 2gaq n ASP 82 Cb 0.05 -0.46 0.34 0.00 -0.02 0.00 0.00 41.12 41.03 2gaq n ASP 82 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2gaq h LEU 83 N -0.26 0.69 -0.94 0.64 -0.00 -1.13 -1.31 115.31 113.00 2gaq h LEU 83 Ca -0.53 0.01 0.26 0.00 -0.00 0.00 0.00 57.88 57.61 2gaq h LEU 83 Cb 1.71 -0.14 -0.14 0.00 -0.00 0.00 0.00 40.66 42.09 2gaq h LEU 83 CO -0.17 0.43 0.43 0.00 -0.00 0.00 0.00 178.44 179.14 2gaq h THR 84 N 0.78 0.38 0.18 0.22 1.03 -0.64 0.45 112.91 115.30 2gaq h THR 84 Ca 0.34 -0.12 -0.33 0.00 -0.01 0.00 0.00 66.41 66.29 2gaq h THR 84 Cb 0.31 0.01 0.01 0.00 -1.07 0.00 0.00 68.15 67.41 2gaq h THR 84 CO -0.12 0.06 -1.63 1.56 -0.01 0.00 0.00 175.52 175.38 2gaq h GLN 85 N 0.34 0.37 -0.01 0.00 4.20 -1.54 -2.88 115.11 115.60 2gaq h GLN 85 Ca 0.63 -0.63 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2gaq h GLN 85 Cb 1.30 0.24 -0.00 0.00 0.30 0.00 0.00 27.48 29.31 2gaq h GLN 85 CO -0.58 1.27 0.01 0.00 -0.67 0.00 0.00 178.83 178.86 2gaq h ALA 86 N 0.25 1.88 -0.06 3.87 0.00 -0.09 0.70 119.26 125.82 2gaq h ALA 86 Ca -0.29 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.43 2gaq h ALA 86 Cb 2.08 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.87 2gaq h ALA 86 CO 0.19 -0.01 -0.76 -1.49 0.00 0.00 0.00 179.25 177.18 2gaq h TRP 87 N 0.00 0.48 -0.50 0.00 -0.00 -0.19 0.59 115.95 116.33 2gaq h TRP 87 Ca 0.00 -0.22 -0.07 0.00 -0.00 0.00 0.00 58.89 58.61 2gaq h TRP 87 Cb 0.02 -0.07 -0.02 0.00 -0.00 0.00 0.00 29.16 29.09 2gaq h TRP 87 CO 0.00 0.98 0.05 0.22 -0.00 0.00 0.00 178.44 179.69 2gaq h ASP 88 N 0.23 0.82 -0.16 -3.49 3.58 -0.70 0.26 116.42 116.95 2gaq h ASP 88 Ca -0.03 -0.28 -0.11 0.00 0.42 0.00 0.00 57.03 57.03 2gaq h ASP 88 Cb 1.34 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 42.17 2gaq h ASP 88 CO 0.13 0.89 -0.32 -0.07 -2.88 0.00 0.00 179.24 176.98 2gaq h LEU 89 N 0.71 0.57 -1.22 2.28 3.38 -0.92 0.58 115.31 120.69 2gaq h LEU 89 Ca 0.15 -0.55 0.02 0.00 0.09 0.00 0.00 57.88 57.59 2gaq h LEU 89 Cb 0.44 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 2gaq h LEU 89 CO 0.02 1.01 0.53 1.88 0.09 0.00 0.00 178.44 181.97 2gaq h TYR 90 N 0.15 0.98 0.17 1.13 0.05 -0.68 0.40 116.97 119.17 2gaq h TYR 90 Ca 0.01 0.02 -0.32 0.00 0.05 0.00 0.00 58.73 58.49 2gaq h TYR 90 Cb 0.92 -0.33 0.01 0.00 1.01 0.00 0.00 36.73 38.33 2gaq h TYR 90 CO 0.10 0.59 -1.58 -0.92 -1.05 0.00 0.00 178.16 175.29 2gaq h TYR 91 N 1.04 0.65 -0.19 4.88 3.20 -0.33 0.23 116.97 126.46 2gaq h TYR 91 Ca 0.31 -0.48 -0.00 0.00 3.14 0.00 0.00 58.73 61.70 2gaq h TYR 91 Cb -0.04 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 2gaq h TYR 91 CO -0.00 1.62 0.11 1.25 -1.64 0.00 0.00 178.16 179.50 2gaq h HIS 92 N -0.04 0.24 0.00 -3.82 2.76 0.40 -1.25 115.15 113.44 2gaq h HIS 92 Ca -0.32 0.00 -0.20 0.00 -2.20 0.00 0.00 60.37 57.66 2gaq h HIS 92 Cb 1.98 -0.08 -0.04 0.00 1.55 0.00 0.00 27.41 30.83 2gaq h HIS 92 CO 0.12 0.16 -1.72 1.55 -1.30 0.00 0.00 177.93 176.74 2gaq n VAL 93 N -4.50 1.12 -0.34 5.26 3.14 0.11 -4.07 118.33 119.06 2gaq n VAL 93 Ca -0.00 -0.71 0.29 0.00 -2.96 0.00 0.00 64.34 60.95 2gaq n VAL 93 Cb 0.09 -0.62 0.61 0.00 -1.06 0.00 0.00 33.84 32.86 2gaq n VAL 93 CO 0.00 0.00 0.00 0.15 -6.46 0.00 0.00 176.83 170.52 2gaq h PHE 94 N 0.00 0.41 0.06 1.45 3.04 0.73 0.59 116.94 123.21 2gaq h PHE 94 Ca -0.24 0.01 -0.30 0.00 3.98 0.00 0.00 57.97 61.43 2gaq h PHE 94 Cb 1.69 -0.12 -0.03 0.00 2.56 0.00 0.00 35.95 40.06 2gaq h PHE 94 CO 0.00 0.01 -1.59 0.00 -2.02 0.00 0.00 178.31 174.71 2gaq h ARG 95 N 0.22 0.12 0.19 1.11 -0.00 -1.75 -3.15 114.38 111.13 2gaq h ARG 95 Ca 0.61 -0.21 -0.01 0.00 -0.50 0.00 0.00 59.98 59.87 2gaq h ARG 95 Cb 1.90 0.08 0.00 0.00 0.00 0.00 0.00 29.97 31.95 2gaq h ARG 95 CO -0.21 0.87 -0.09 -0.09 0.00 0.00 0.00 179.97 180.45 2gaq h ARG 96 N 0.03 -0.25 0.00 0.04 9.65 -0.48 -3.26 114.38 120.11 2gaq h ARG 96 Ca -0.25 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.64 2gaq h ARG 96 Cb 1.98 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 30.62 2gaq h ARG 96 CO 0.12 -0.17 0.00 0.44 2.80 0.00 0.00 179.97 183.16 2gaq n ILE 97 N -3.11 1.14 0.12 1.20 -5.35 0.16 -1.21 119.36 112.31 2gaq n ILE 97 Ca -0.03 0.28 -0.13 0.00 -0.27 0.00 0.00 62.75 62.60 2gaq n ILE 97 Cb 0.10 -1.13 -0.06 0.00 -1.74 0.00 0.00 39.64 36.81 2gaq n ILE 97 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 2gaq h SER 98 N 0.00 -0.39 -0.61 7.28 4.64 -1.58 -3.36 113.55 119.53 2gaq h SER 98 Ca 0.00 0.04 -0.29 0.00 -0.47 0.00 0.00 61.79 61.07 2gaq h SER 98 Cb 0.12 0.13 -0.35 0.00 -0.31 0.00 0.00 62.40 62.00 2gaq h SER 98 CO 0.00 -0.22 -1.00 0.29 -0.87 0.00 0.00 176.83 175.03 2gaq n LYS 99 N -5.27 1.37 0.00 4.77 5.02 -1.13 -5.03 118.16 117.90 2gaq n LYS 99 Ca -0.08 -3.01 0.00 0.00 -2.02 0.00 0.00 58.31 53.20 2gaq n LYS 99 Cb 0.19 -1.10 0.00 0.00 -0.02 0.00 0.00 35.03 34.10 2gaq n LYS 99 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82