#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gaq n LEU 2 N 0.00 -0.52 -0.04 -4.62 -0.00 -1.26 -4.78 117.00 105.77 2gaq n LEU 2 Ca 0.00 -0.19 -0.14 0.00 -0.00 0.00 0.00 56.01 55.68 2gaq n LEU 2 Cb 0.00 -0.22 -0.08 0.00 -0.00 0.00 0.00 43.42 43.12 2gaq n LEU 2 CO 0.00 -0.54 0.55 -0.29 -0.00 0.00 0.00 177.39 177.11 2gaq h ILE 3 N 2.78 1.38 0.00 1.47 6.09 -1.97 -3.45 117.51 123.81 2gaq h ILE 3 Ca 0.01 -1.44 0.00 0.00 -1.37 0.00 0.00 64.86 62.06 2gaq h ILE 3 Cb 0.45 2.06 0.00 0.00 0.47 0.00 0.00 36.82 39.79 2gaq h ILE 3 CO 0.63 0.42 -0.11 0.54 -3.07 0.00 0.00 178.15 176.56 2gaq n ARG 4 N -4.54 0.00 -0.57 2.19 5.12 -1.26 -4.95 116.66 112.65 2gaq n ARG 4 Ca -0.07 0.00 0.01 0.00 -1.93 0.00 0.00 57.85 55.86 2gaq n ARG 4 Cb 0.40 -0.10 0.01 0.00 -1.16 0.00 0.00 32.46 31.61 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 -3.00 0.13 -3.12 1.55 3.14 -1.26 -5.01 118.33 110.75 2gaq n VAL 5 Ca 0.00 -0.26 -0.09 0.00 -2.96 0.00 0.00 64.34 61.03 2gaq n VAL 5 Cb 0.06 0.50 0.04 0.00 -1.06 0.00 0.00 33.84 33.38 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 -0.04 -2.44 -1.18 1.55 0.00 -1.26 -4.87 120.51 112.27 2gaq n ALA 6 Ca 0.02 0.08 -0.35 0.00 0.00 0.00 0.00 53.44 53.19 2gaq n ALA 6 Cb 0.74 -4.02 -0.02 0.00 0.00 0.00 0.00 19.45 16.15 2gaq n ALA 6 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 2gaq n ILE 7 N -2.62 3.66 -0.45 0.00 0.00 -1.26 -4.91 119.36 113.78 2gaq n ILE 7 Ca -0.04 -2.27 -0.06 0.00 0.00 0.00 0.00 62.75 60.37 2gaq n ILE 7 Cb 0.57 -2.47 0.05 0.00 0.00 0.00 0.00 39.64 37.79 2gaq n ILE 7 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2gaq n LEU 8 N 4.08 0.00 -0.12 9.51 4.77 -1.26 -4.98 117.00 129.00 2gaq n LEU 8 Ca 0.66 -0.22 -0.16 0.00 -0.03 0.00 0.00 56.01 56.26 2gaq n LEU 8 Cb 0.22 -0.21 -0.13 0.00 -2.33 0.00 0.00 43.42 40.98 2gaq n LEU 8 CO 0.83 -1.40 -1.29 0.79 -1.33 0.00 0.00 177.39 174.98 2gaq n TRP 9 N -3.17 0.00 -0.19 -1.77 8.01 -1.26 -3.79 117.44 115.28 2gaq n TRP 9 Ca 0.03 0.00 0.23 0.00 -1.31 0.00 0.00 57.50 56.45 2gaq n TRP 9 Cb 0.12 -0.99 0.61 0.00 -2.01 0.00 0.00 31.31 29.05 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 0.27 0.11 -5.99 -0.00 -1.88 0.21 115.15 107.87 2gaq h HIS 10 Ca -0.57 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 59.81 2gaq h HIS 10 Cb 1.98 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 29.31 2gaq h HIS 10 CO 0.02 0.07 -0.05 0.93 -0.00 0.00 0.00 177.93 178.90 2gaq h GLU 11 N 0.20 -0.15 0.00 5.26 4.39 -1.85 -2.79 114.58 119.65 2gaq h GLU 11 Ca 0.43 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.13 2gaq h GLU 11 Cb 1.36 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 30.04 2gaq h GLU 11 CO -0.09 0.33 -0.02 0.00 -1.16 0.00 0.00 179.01 178.07 2gaq h MET 12 N -0.74 0.00 -0.42 2.33 -0.00 -1.43 -2.70 114.93 111.96 2gaq h MET 12 Ca -0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 59.62 2gaq h MET 12 Cb 0.55 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.13 2gaq h MET 12 CO 0.03 0.02 0.02 -1.49 -0.00 0.00 0.00 176.91 175.48 2gaq h TRP 13 N 0.00 0.80 -0.10 -0.10 -0.00 -0.37 0.62 115.95 116.80 2gaq h TRP 13 Ca -0.00 -0.13 0.04 0.00 -0.00 0.00 0.00 58.89 58.80 2gaq h TRP 13 Cb 0.36 -0.21 -0.06 0.00 -0.00 0.00 0.00 29.16 29.24 2gaq h TRP 13 CO 0.00 0.79 -0.33 0.45 -0.00 0.00 0.00 178.44 179.35 2gaq h HIS 14 N 0.58 -0.93 0.17 0.49 3.86 -1.24 0.51 115.15 118.58 2gaq h HIS 14 Ca 0.12 0.04 -0.30 0.00 -1.16 0.00 0.00 60.37 59.07 2gaq h HIS 14 Cb 0.46 0.42 0.03 0.00 1.06 0.00 0.00 27.41 29.39 2gaq h HIS 14 CO 0.04 -0.41 -1.26 1.05 0.86 0.00 0.00 177.93 178.20 2gaq h GLU 15 N -0.43 0.56 -0.04 2.45 4.11 -1.68 -2.13 114.58 117.43 2gaq h GLU 15 Ca 0.09 -0.83 0.01 0.00 0.07 0.00 0.00 59.36 58.70 2gaq h GLU 15 Cb 0.56 0.29 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 2gaq h GLU 15 CO -0.34 1.38 0.03 0.78 0.07 0.00 0.00 179.01 180.93 2gaq h GLY 16 N 0.15 0.00 1.53 1.06 0.00 0.67 0.93 103.07 107.41 2gaq h GLY 16 Ca -0.20 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.94 2gaq h GLY 16 CO 0.24 0.00 -1.11 1.41 0.00 0.00 0.00 176.54 177.08 2gaq h LEU 17 N 0.00 0.00 0.00 3.11 3.38 0.00 -3.14 115.31 118.66 2gaq h LEU 17 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2gaq h LEU 17 Cb 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 2gaq h LEU 17 CO -0.00 0.75 -0.06 -0.08 0.09 0.00 0.00 178.44 179.13 2gaq h GLU 18 N 0.00 0.00 0.00 1.13 4.81 -0.24 0.38 114.58 120.66 2gaq h GLU 18 Ca -0.10 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 2gaq h GLU 18 Cb 1.66 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.04 2gaq h GLU 18 CO 0.08 0.97 -0.05 1.49 -0.73 0.00 0.00 179.01 180.77 2gaq h GLU 19 N -1.00 0.00 0.07 1.92 4.57 0.59 0.27 114.58 121.00 2gaq h GLU 19 Ca -0.02 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2gaq h GLU 19 Cb 0.98 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.57 2gaq h GLU 19 CO -0.01 0.05 -0.04 0.00 -1.18 0.00 0.00 179.01 177.83 2gaq h ALA 20 N 1.95 -0.14 -0.78 2.92 0.00 -1.53 -2.73 119.26 118.95 2gaq h ALA 20 Ca -0.00 -0.02 0.23 0.00 0.00 0.00 0.00 54.91 55.11 2gaq h ALA 20 Cb 0.09 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2gaq h ALA 20 CO 0.01 -0.13 0.64 0.66 0.00 0.00 0.00 179.25 180.42 2gaq h SER 21 N -0.65 0.00 0.23 0.00 4.64 0.06 0.36 113.55 118.18 2gaq h SER 21 Ca -0.01 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.03 2gaq h SER 21 Cb 0.08 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.19 2gaq h SER 21 CO 0.02 0.00 -1.18 -0.09 -0.87 0.00 0.00 176.83 174.71 2gaq h ARG 22 N 0.00 0.54 0.00 4.77 2.43 -0.61 0.63 114.38 122.14 2gaq h ARG 22 Ca 0.37 -0.71 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 2gaq h ARG 22 Cb 1.64 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 31.42 2gaq h ARG 22 CO -0.00 1.31 0.00 1.28 -1.51 0.00 0.00 179.97 181.04 2gaq n LEU 23 N -3.75 0.60 0.00 3.80 7.99 0.12 -0.34 117.00 125.42 2gaq n LEU 23 Ca -0.12 0.72 0.00 0.00 -0.01 0.00 0.00 56.01 56.60 2gaq n LEU 23 Cb 0.96 -0.71 0.00 0.00 -0.11 0.00 0.00 43.42 43.55 2gaq n LEU 23 CO 0.56 -0.77 0.00 0.00 -1.51 0.00 0.00 177.39 175.67 2gaq n TYR 24 N -2.24 0.00 0.65 -1.77 9.36 -0.85 -2.60 117.16 119.71 2gaq n TYR 24 Ca 0.00 0.00 0.06 0.00 3.32 0.00 0.00 57.90 61.28 2gaq n TYR 24 Cb 0.12 0.00 0.32 0.00 -0.63 0.00 0.00 39.34 39.15 2gaq n TYR 24 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2gaq n PHE 25 N -1.96 0.00 0.01 2.98 7.35 0.22 0.29 117.46 126.35 2gaq n PHE 25 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2gaq n PHE 25 Cb 0.00 -0.09 -0.01 0.00 0.35 0.00 0.00 39.48 39.73 2gaq n PHE 25 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2gaq n GLY 26 N -0.31 0.13 0.00 7.13 0.00 0.54 -4.78 105.19 107.89 2gaq n GLY 26 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.44 1.20 -2.83 1.61 -0.58 -0.95 -4.96 120.64 112.70 2gaq n GLU 27 Ca -0.00 -0.89 -0.10 0.00 -0.42 0.00 0.00 57.16 55.74 2gaq n GLU 27 Cb 0.02 -0.72 -0.02 0.00 -0.57 0.00 0.00 31.44 30.15 2gaq n GLU 27 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2gaq n ARG 28 N -0.21 -2.25 -3.90 3.49 0.63 0.15 -4.87 116.66 109.69 2gaq n ARG 28 Ca 0.00 0.03 -0.29 0.00 -0.92 0.00 0.00 57.85 56.68 2gaq n ARG 28 Cb 0.37 -4.11 -0.12 0.00 0.45 0.00 0.00 32.46 29.04 2gaq n ARG 28 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 2gaq s ASN 29 N -2.13 4.79 0.54 6.15 2.47 -1.07 -4.88 114.94 120.80 2gaq s ASN 29 Ca 0.20 -3.71 0.24 0.00 0.42 0.00 0.00 52.86 50.01 2gaq s ASN 29 Cb -0.12 -1.65 1.40 0.00 -1.45 0.00 0.00 41.25 39.43 2gaq s ASN 29 CO 0.25 -0.11 2.04 0.58 -3.72 0.00 0.00 177.10 176.14 2gaq h VAL 30 N 4.57 0.75 -0.83 -5.21 2.07 -1.84 0.13 116.25 115.89 2gaq h VAL 30 Ca 0.11 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 2gaq h VAL 30 Cb 0.78 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 2gaq h VAL 30 CO 0.72 0.00 0.47 0.50 0.02 0.00 0.00 177.57 179.28 2gaq h LYS 31 N 0.00 1.15 0.10 1.57 3.11 -1.90 -2.56 116.57 118.05 2gaq h LYS 31 Ca 0.18 -0.12 -0.00 0.00 -2.81 0.00 0.00 60.65 57.89 2gaq h LYS 31 Cb 0.74 -0.23 0.00 0.00 -1.00 0.00 0.00 32.23 31.74 2gaq h LYS 31 CO -0.00 0.83 -0.05 0.78 -2.81 0.00 0.00 179.45 178.20 2gaq h GLY 32 N 1.15 -0.14 1.15 5.01 0.00 -0.98 -2.73 103.07 106.53 2gaq h GLY 32 Ca 0.30 0.05 0.11 0.00 0.00 0.00 0.00 47.33 47.79 2gaq h GLY 32 CO -0.05 -0.05 0.33 0.00 0.00 0.00 0.00 176.54 176.76 2gaq h MET 33 N -0.30 0.14 0.00 4.80 -0.00 -1.41 0.55 114.93 118.71 2gaq h MET 33 Ca -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 59.70 59.67 2gaq h MET 33 Cb 0.25 -0.03 -0.00 0.00 -0.00 0.00 0.00 31.60 31.82 2gaq h MET 33 CO 0.02 0.09 -0.02 0.74 -0.00 0.00 0.00 176.91 177.74 2gaq h PHE 34 N 0.14 0.00 0.07 -0.10 0.04 -1.13 0.32 116.94 116.28 2gaq h PHE 34 Ca 0.22 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.87 2gaq h PHE 34 Cb 0.68 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.85 2gaq h PHE 34 CO -0.00 0.02 -0.51 1.49 -0.60 0.00 0.00 178.31 178.71 2gaq h GLU 35 N 0.00 0.23 0.00 1.51 4.57 -0.84 0.16 114.58 120.21 2gaq h GLU 35 Ca -0.00 -0.33 -0.12 0.00 -1.18 0.00 0.00 59.36 57.72 2gaq h GLU 35 Cb 0.27 0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.96 2gaq h GLU 35 CO 0.00 1.12 -0.58 -0.24 -1.18 0.00 0.00 179.01 178.13 2gaq h VAL 36 N -0.49 1.06 0.00 0.32 3.04 -1.54 -3.11 116.25 115.52 2gaq h VAL 36 Ca -0.08 -2.30 -0.09 0.00 -1.01 0.00 0.00 66.70 63.21 2gaq h VAL 36 Cb 1.35 2.39 -0.01 0.00 -2.01 0.00 0.00 31.29 33.00 2gaq h VAL 36 CO 0.10 0.57 -0.46 -0.07 -1.01 0.00 0.00 177.57 176.69 2gaq h LEU 37 N 0.00 0.00 -0.38 3.16 -0.00 -1.03 -3.23 115.31 113.83 2gaq h LEU 37 Ca -0.01 0.00 0.08 0.00 -0.00 0.00 0.00 57.88 57.95 2gaq h LEU 37 Cb 1.34 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 41.91 2gaq h LEU 37 CO 0.08 0.42 -0.27 -0.33 -0.00 0.00 0.00 178.44 178.34 2gaq h GLU 38 N 0.00 -0.20 -0.20 1.13 4.39 -0.88 0.45 114.58 119.27 2gaq h GLU 38 Ca -0.01 0.01 -0.18 0.00 0.34 0.00 0.00 59.36 59.53 2gaq h GLU 38 Cb 1.33 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 30.02 2gaq h GLU 38 CO 0.05 -0.14 -0.59 -1.00 -1.16 0.00 0.00 179.01 176.18 2gaq h PRO 39 N -0.21 0.65 0.00 2.33 0.13 -1.71 -2.96 132.00 130.23 2gaq h PRO 39 Ca 0.18 -0.43 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2gaq h PRO 39 Cb 0.50 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.69 2gaq h PRO 39 CO -0.50 1.05 0.00 -0.07 -0.23 0.00 0.00 178.00 178.25 2gaq h LEU 40 N 0.49 0.00 0.08 1.56 3.38 -1.34 0.81 115.31 120.29 2gaq h LEU 40 Ca 0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.71 2gaq h LEU 40 Cb 1.16 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.94 2gaq h LEU 40 CO 0.12 0.00 -1.09 -0.74 0.09 0.00 0.00 178.44 176.82 2gaq h HIS 41 N 0.00 0.94 0.13 1.13 2.76 0.02 -3.22 115.15 116.91 2gaq h HIS 41 Ca 0.00 -0.57 -0.33 0.00 -2.20 0.00 0.00 60.37 57.27 2gaq h HIS 41 Cb 0.22 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.09 2gaq h HIS 41 CO 0.00 1.41 -1.73 0.00 -1.30 0.00 0.00 177.93 176.31 2gaq h ALA 42 N 0.30 0.33 0.00 5.26 0.00 -0.96 -3.26 119.26 120.93 2gaq h ALA 42 Ca -0.16 -1.23 0.00 0.00 0.00 0.00 0.00 54.91 53.53 2gaq h ALA 42 Cb 1.77 0.46 0.00 0.00 0.00 0.00 0.00 17.79 20.02 2gaq h ALA 42 CO 0.21 1.19 0.00 -1.33 0.00 0.00 0.00 179.25 179.32 2gaq n MET 43 N -3.46 0.02 -0.00 0.00 2.00 0.26 -0.51 117.12 115.44 2gaq n MET 43 Ca -0.23 0.47 0.09 0.00 0.00 0.00 0.00 57.70 58.03 2gaq n MET 43 Cb 1.06 -1.57 -0.11 0.00 0.00 0.00 0.00 33.22 32.59 2gaq n MET 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2gaq n MET 44 N -1.62 0.94 -0.11 0.03 0.00 -1.21 -4.64 117.12 110.50 2gaq n MET 44 Ca 0.00 -0.06 -0.13 0.00 0.00 0.00 0.00 57.70 57.52 2gaq n MET 44 Cb 0.04 -1.37 -0.14 0.00 0.00 0.00 0.00 33.22 31.75 2gaq n MET 44 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 2gaq n GLU 45 N -1.66 0.74 -0.48 3.17 2.13 -0.12 -4.44 120.64 119.96 2gaq n GLU 45 Ca 0.01 0.05 0.40 0.00 0.66 0.00 0.00 57.16 58.29 2gaq n GLU 45 Cb 0.35 -1.50 0.68 0.00 0.27 0.00 0.00 31.44 31.24 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 0.02 0.00 5.31 9.65 -1.06 -3.47 114.38 124.83 2gaq h ARG 46 Ca -0.54 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.34 2gaq h ARG 46 Cb 2.07 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 30.64 2gaq h ARG 46 CO -0.02 0.02 0.00 0.41 2.80 0.00 0.00 179.97 183.18 2gaq n GLY 47 N -1.55 2.63 1.49 2.80 0.00 -1.26 -5.08 105.19 104.21 2gaq n GLY 47 Ca 0.40 -1.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.31 2gaq n GLY 47 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2gaq n PRO 48 N 0.33 -2.32 0.00 1.61 -0.04 -1.26 -5.02 135.00 128.29 2gaq n PRO 48 Ca 0.00 -0.73 0.00 0.00 -0.04 0.00 0.00 63.50 62.73 2gaq n PRO 48 Cb 0.00 -0.75 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 2gaq n PRO 48 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2gaq n GLN 49 N -3.17 0.00 0.03 0.54 10.64 -1.26 -5.03 117.38 119.13 2gaq n GLN 49 Ca 0.06 0.00 -0.00 0.00 -1.83 0.00 0.00 57.00 55.23 2gaq n GLN 49 Cb 0.26 -0.26 -0.00 0.00 -0.86 0.00 0.00 30.24 29.38 2gaq n GLN 49 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86 2gaq n THR 50 N -2.73 0.72 0.00 -0.39 5.66 -1.26 -4.82 114.28 111.46 2gaq n THR 50 Ca 0.00 0.24 0.00 0.00 -3.05 0.00 0.00 64.05 61.24 2gaq n THR 50 Cb 0.25 -1.35 0.00 0.00 -1.55 0.00 0.00 70.33 67.68 2gaq n THR 50 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2gaq n LEU 51 N -3.09 0.00 0.00 1.09 4.77 -1.26 -5.05 117.00 113.47 2gaq n LEU 51 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2gaq n LEU 51 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2gaq n LEU 51 CO 0.00 0.00 -0.39 0.29 -1.33 0.00 0.00 177.39 175.96 2gaq n LYS 52 N 0.00 0.00 -1.38 3.23 4.76 -1.26 -4.81 118.16 118.70 2gaq n LYS 52 Ca 0.00 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.18 2gaq n LYS 52 Cb 0.00 -0.48 -0.08 0.00 -1.84 0.00 0.00 35.03 32.63 2gaq n LYS 52 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2gaq n GLU 53 N -2.78 2.85 -2.70 1.97 4.71 -1.26 -4.06 120.64 119.36 2gaq n GLU 53 Ca 0.00 -2.06 -0.07 0.00 -0.01 0.00 0.00 57.16 55.02 2gaq n GLU 53 Cb 0.39 -2.28 0.09 0.00 -1.01 0.00 0.00 31.44 28.63 2gaq n GLU 53 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 2gaq n THR 54 N 1.99 0.00 -0.04 2.62 -1.04 -1.26 -4.48 114.28 112.06 2gaq n THR 54 Ca 0.54 -1.26 -0.05 0.00 -2.04 0.00 0.00 64.05 61.24 2gaq n THR 54 Cb 0.57 1.22 -0.05 0.00 -1.82 0.00 0.00 70.33 70.25 2gaq n THR 54 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2gaq n SER 55 N 0.09 3.20 -0.06 8.00 3.41 -1.26 -4.38 113.62 122.63 2gaq n SER 55 Ca -0.01 -0.03 -0.04 0.00 -0.26 0.00 0.00 58.87 58.53 2gaq n SER 55 Cb 0.74 0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 64.85 2gaq n SER 55 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 2gaq h PHE 56 N 0.00 0.00 0.00 7.33 -0.00 -1.93 -3.14 116.94 119.21 2gaq h PHE 56 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.76 2gaq h PHE 56 Cb 1.39 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.34 2gaq h PHE 56 CO 0.01 0.25 0.06 -2.95 -0.00 0.00 0.00 178.31 175.68 2gaq h ASN 57 N -1.00 0.00 -0.07 -0.68 -1.07 -1.87 0.70 115.58 111.59 2gaq h ASN 57 Ca -0.01 0.00 -0.07 0.00 0.07 0.00 0.00 56.30 56.29 2gaq h ASN 57 Cb 0.29 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.54 2gaq h ASN 57 CO -0.01 0.00 -0.24 -0.61 0.07 0.00 0.00 177.43 176.65 2gaq h GLN 58 N 0.00 0.28 0.00 4.14 -0.00 -1.76 -3.39 115.11 114.38 2gaq h GLN 58 Ca 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 58.65 58.44 2gaq h GLN 58 Cb 0.12 0.04 0.00 0.00 0.00 0.00 0.00 27.48 27.64 2gaq h GLN 58 CO 0.00 0.84 -0.44 0.00 0.00 0.00 0.00 178.83 179.24 2gaq n ALA 59 N -2.48 3.00 -0.39 3.38 0.00 -0.13 -4.77 120.51 119.13 2gaq n ALA 59 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2gaq n ALA 59 Cb 0.45 0.34 0.00 0.00 0.00 0.00 0.00 19.45 20.24 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 -3.25 0.00 0.46 0.00 4.02 0.23 -4.35 117.16 114.27 2gaq n TYR 60 Ca 0.00 -0.84 0.11 0.00 -0.01 0.00 0.00 57.90 57.16 2gaq n TYR 60 Cb 0.22 -0.46 0.45 0.00 -0.02 0.00 0.00 39.34 39.53 2gaq n TYR 60 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2gaq n GLY 61 N 1.55 -1.26 0.86 2.72 0.00 -0.56 -2.21 105.19 106.29 2gaq n GLY 61 Ca 0.00 0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.16 2gaq n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gaq n ARG 62 N -2.05 1.97 0.00 1.61 1.74 -1.26 -3.51 116.66 115.15 2gaq n ARG 62 Ca 0.03 -1.86 0.00 0.00 -0.77 0.00 0.00 57.85 55.25 2gaq n ARG 62 Cb 0.24 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 2gaq n ARG 62 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2gaq n ASP 63 N 1.14 0.00 -0.34 0.55 9.92 -0.94 -4.38 116.55 122.50 2gaq n ASP 63 Ca 0.14 0.00 0.32 0.00 -0.53 0.00 0.00 54.79 54.72 2gaq n ASP 63 Cb 0.50 0.00 0.57 0.00 -0.64 0.00 0.00 41.12 41.56 2gaq n ASP 63 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2gaq n LEU 64 N 0.00 0.28 -0.03 0.64 -0.00 -1.23 -0.21 117.00 116.45 2gaq n LEU 64 Ca 0.00 1.45 -0.15 0.00 -0.00 0.00 0.00 56.01 57.32 2gaq n LEU 64 Cb 0.00 -0.71 -0.09 0.00 -0.00 0.00 0.00 43.42 42.62 2gaq n LEU 64 CO 0.00 -1.61 0.52 -0.03 -0.00 0.00 0.00 177.39 176.26 2gaq h MET 65 N 0.00 -0.53 0.00 1.47 4.05 -1.80 0.31 114.93 118.43 2gaq h MET 65 Ca 0.79 0.04 -0.07 0.00 -0.28 0.00 0.00 59.70 60.18 2gaq h MET 65 Cb 2.25 0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 33.16 2gaq h MET 65 CO -0.62 -0.35 -0.41 0.93 0.23 0.00 0.00 176.91 176.68 2gaq h GLU 66 N -0.55 0.00 0.00 0.39 5.08 -1.24 -1.18 114.58 117.08 2gaq h GLU 66 Ca 0.05 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2gaq h GLU 66 Cb 0.67 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 2gaq h GLU 66 CO -0.46 0.28 -0.15 0.00 -1.00 0.00 0.00 179.01 177.68 2gaq h ALA 67 N 1.70 1.37 0.00 3.43 0.00 0.44 -2.28 119.26 123.92 2gaq h ALA 67 Ca -0.01 -0.13 -0.31 0.00 0.00 0.00 0.00 54.91 54.45 2gaq h ALA 67 Cb 1.24 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 2gaq h ALA 67 CO 0.04 0.18 -2.19 0.94 0.00 0.00 0.00 179.25 178.22 2gaq n GLN 68 N -3.80 0.54 0.28 0.00 -0.06 0.99 -4.55 117.38 110.78 2gaq n GLN 68 Ca -0.02 0.12 0.18 0.00 -2.00 0.00 0.00 57.00 55.28 2gaq n GLN 68 Cb 0.25 -1.42 0.91 0.00 -4.06 0.00 0.00 30.24 25.92 2gaq n GLN 68 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 2gaq h GLU 69 N 0.00 0.00 -3.19 3.69 4.81 -0.99 -3.13 114.58 115.77 2gaq h GLU 69 Ca -0.47 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.62 2gaq h GLU 69 Cb 1.73 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.10 2gaq h GLU 69 CO -0.07 0.00 1.09 0.91 -0.73 0.00 0.00 179.01 180.21 2gaq n TRP 70 N -3.24 0.40 0.04 0.92 8.01 -0.88 -4.32 117.44 118.37 2gaq n TRP 70 Ca -0.00 -0.92 -0.19 0.00 -1.31 0.00 0.00 57.50 55.08 2gaq n TRP 70 Cb 0.32 -1.00 -0.14 0.00 -2.01 0.00 0.00 31.31 28.48 2gaq n TRP 70 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2gaq h ARG 72 N -0.32 0.00 0.01 0.00 3.08 -1.92 0.53 114.38 115.76 2gaq h ARG 72 Ca -0.12 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.56 2gaq h ARG 72 Cb 1.54 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.54 2gaq h ARG 72 CO 0.14 0.00 -2.06 1.63 -1.07 0.00 0.00 179.97 178.61 2gaq n LYS 73 N -2.91 0.60 0.28 0.04 4.76 -1.16 -3.35 118.16 116.42 2gaq n LYS 73 Ca -0.03 0.36 0.14 0.00 -2.87 0.00 0.00 58.31 55.92 2gaq n LYS 73 Cb 0.09 -1.60 0.79 0.00 -1.84 0.00 0.00 35.03 32.48 2gaq n LYS 73 CO 0.00 0.00 0.00 -0.92 -1.37 0.00 0.00 177.40 175.11 2gaq h TYR 74 N -0.83 0.00 0.00 2.13 3.20 0.31 0.40 116.97 122.19 2gaq h TYR 74 Ca -0.55 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.32 2gaq h TYR 74 Cb 1.57 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.84 2gaq h TYR 74 CO -0.00 0.09 -0.00 0.52 -1.64 0.00 0.00 178.16 177.12 2gaq h MET 75 N 0.00 -0.00 0.09 1.82 2.86 -0.14 -2.32 114.93 117.24 2gaq h MET 75 Ca -0.00 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.50 2gaq h MET 75 Cb 0.29 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.97 2gaq h MET 75 CO 0.01 0.55 -0.63 0.87 1.06 0.00 0.00 176.91 178.76 2gaq h LYS 76 N -1.00 0.20 -0.34 1.72 1.57 -1.52 -3.34 116.57 113.85 2gaq h LYS 76 Ca -0.00 -0.34 -0.15 0.00 -1.87 0.00 0.00 60.65 58.28 2gaq h LYS 76 Cb 0.55 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 2gaq h LYS 76 CO 0.00 1.16 -0.39 1.03 -0.57 0.00 0.00 179.45 180.68 2gaq h SER 77 N -0.57 0.89 -4.95 0.86 0.87 -0.42 -3.47 113.55 106.76 2gaq h SER 77 Ca -0.12 -0.40 -0.11 0.00 -1.23 0.00 0.00 61.79 59.93 2gaq h SER 77 Cb 1.46 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 63.13 2gaq h SER 77 CO 0.09 1.17 -0.15 0.61 -0.53 0.00 0.00 176.83 178.03 2gaq n GLY 78 N 0.09 -0.49 3.45 5.77 0.00 -0.87 -4.89 105.19 108.25 2gaq n GLY 78 Ca -0.02 0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.12 3.66 0.00 1.61 3.84 -1.26 -4.99 114.94 115.67 2gaq s ASN 79 Ca 0.08 -0.66 0.00 0.00 0.21 0.00 0.00 52.86 52.49 2gaq s ASN 79 Cb -0.04 -0.41 0.00 0.00 -0.55 0.00 0.00 41.25 40.25 2gaq s ASN 79 CO 0.09 0.17 0.94 0.52 -2.79 0.00 0.00 177.10 176.03 2gaq n VAL 80 N 0.75 1.75 0.07 -5.21 0.31 -1.26 -1.63 118.33 113.12 2gaq n VAL 80 Ca -0.16 0.46 0.20 0.00 -0.01 0.00 0.00 64.34 64.83 2gaq n VAL 80 Cb 0.53 -1.46 0.74 0.00 -0.91 0.00 0.00 33.84 32.74 2gaq n VAL 80 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2gaq h LYS 81 N 0.00 0.00 0.13 5.55 1.79 -1.95 0.85 116.57 122.93 2gaq h LYS 81 Ca 0.00 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.17 2gaq h LYS 81 Cb 0.04 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.69 2gaq h LYS 81 CO 0.00 0.00 -1.48 -0.44 -1.08 0.00 0.00 179.45 176.45 2gaq h ASP 82 N 0.00 0.42 0.12 0.86 3.32 -1.71 -3.34 116.42 116.09 2gaq h ASP 82 Ca 0.20 -0.55 -0.25 0.00 0.02 0.00 0.00 57.03 56.46 2gaq h ASP 82 Cb 0.95 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 40.37 2gaq h ASP 82 CO -0.00 1.45 -0.98 -0.07 -1.72 0.00 0.00 179.24 177.91 2gaq h LEU 83 N 0.07 0.77 -0.88 1.55 -0.00 -0.71 0.20 115.31 116.31 2gaq h LEU 83 Ca -0.22 -0.61 0.07 0.00 -0.00 0.00 0.00 57.88 57.13 2gaq h LEU 83 Cb 2.02 -0.23 -0.07 0.00 -0.00 0.00 0.00 40.66 42.37 2gaq h LEU 83 CO 0.18 1.40 0.54 0.00 -0.00 0.00 0.00 178.44 180.56 2gaq h THR 84 N 0.34 1.01 0.16 0.22 1.03 0.35 0.71 112.91 116.72 2gaq h THR 84 Ca -0.10 -0.33 -0.22 0.00 -0.01 0.00 0.00 66.41 65.75 2gaq h THR 84 Cb 1.63 -0.04 0.03 0.00 -1.07 0.00 0.00 68.15 68.70 2gaq h THR 84 CO 0.19 0.17 -0.95 1.56 -0.01 0.00 0.00 175.52 176.48 2gaq h GLN 85 N 0.96 0.36 -0.10 0.00 7.50 -1.67 -3.08 115.11 119.09 2gaq h GLN 85 Ca 0.40 -0.61 0.03 0.00 0.50 0.00 0.00 58.65 58.97 2gaq h GLN 85 Cb 0.24 0.22 -0.00 0.00 0.05 0.00 0.00 27.48 27.99 2gaq h GLN 85 CO -0.20 1.28 0.17 0.00 -1.50 0.00 0.00 178.83 178.58 2gaq h ALA 86 N 0.11 1.53 -0.37 3.87 0.00 -0.09 -0.99 119.26 123.32 2gaq h ALA 86 Ca -0.16 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 2gaq h ALA 86 Cb 1.75 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 2gaq h ALA 86 CO 0.18 -0.22 -0.27 2.35 0.00 0.00 0.00 179.25 181.29 2gaq h TRP 87 N 0.00 0.98 -0.13 0.00 -0.00 0.51 0.80 115.95 118.12 2gaq h TRP 87 Ca 0.05 -0.27 -0.10 0.00 -0.00 0.00 0.00 58.89 58.56 2gaq h TRP 87 Cb 0.38 -0.22 0.00 0.00 -0.00 0.00 0.00 29.16 29.32 2gaq h TRP 87 CO 0.00 1.05 -0.33 0.22 -0.00 0.00 0.00 178.44 179.38 2gaq h ASP 88 N 0.63 0.51 -0.42 2.65 1.82 -1.27 0.33 116.42 120.67 2gaq h ASP 88 Ca 0.07 -0.59 -0.08 0.00 -0.39 0.00 0.00 57.03 56.04 2gaq h ASP 88 Cb 0.85 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.70 2gaq h ASP 88 CO 0.07 1.00 -0.07 -0.07 -1.61 0.00 0.00 179.24 178.57 2gaq h LEU 89 N 0.04 0.78 0.57 2.28 3.38 -1.14 0.43 115.31 121.65 2gaq h LEU 89 Ca -0.01 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 2gaq h LEU 89 Cb 0.94 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.48 2gaq h LEU 89 CO 0.07 0.94 -0.27 0.22 0.09 0.00 0.00 178.44 179.49 2gaq h TYR 90 N 0.61 -0.70 -0.78 1.13 3.20 0.63 -1.07 116.97 119.99 2gaq h TYR 90 Ca 0.11 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 2gaq h TYR 90 Cb 0.58 0.23 -0.04 0.00 1.54 0.00 0.00 36.73 39.05 2gaq h TYR 90 CO 0.05 -0.41 0.42 -0.92 -1.64 0.00 0.00 178.16 175.65 2gaq h TYR 91 N -0.82 1.06 -0.67 -3.82 3.20 -0.13 0.96 116.97 116.75 2gaq h TYR 91 Ca -0.08 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.73 2gaq h TYR 91 Cb 0.61 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 2gaq h TYR 91 CO -0.02 0.74 0.25 1.25 -1.64 0.00 0.00 178.16 178.74 2gaq h HIS 92 N 1.08 1.01 0.00 -3.82 2.76 -0.13 -2.40 115.15 113.65 2gaq h HIS 92 Ca 0.27 -0.07 -0.23 0.00 -2.20 0.00 0.00 60.37 58.15 2gaq h HIS 92 Cb 0.03 -0.30 -0.04 0.00 1.55 0.00 0.00 27.41 28.65 2gaq h HIS 92 CO 0.01 0.78 -1.25 -0.24 -1.30 0.00 0.00 177.93 175.93 2gaq h VAL 93 N 0.97 1.20 -1.05 5.26 3.04 -0.54 -3.31 116.25 121.83 2gaq h VAL 93 Ca 0.22 -2.91 0.30 0.00 -1.01 0.00 0.00 66.70 63.31 2gaq h VAL 93 Cb 0.21 2.57 -0.04 0.00 -2.01 0.00 0.00 31.29 32.02 2gaq h VAL 93 CO -0.02 0.68 0.83 0.15 -1.01 0.00 0.00 177.57 178.21 2gaq h PHE 94 N 0.00 0.00 0.04 3.17 3.57 0.15 0.39 116.94 124.26 2gaq h PHE 94 Ca -0.12 0.00 -0.32 0.00 3.53 0.00 0.00 57.97 61.06 2gaq h PHE 94 Cb 1.81 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 40.50 2gaq h PHE 94 CO 0.00 0.00 -1.81 0.54 -2.23 0.00 0.00 178.31 174.81 2gaq n ARG 95 N -3.99 0.67 0.00 1.11 1.74 -1.21 -3.60 116.66 111.38 2gaq n ARG 95 Ca 0.22 0.28 0.00 0.00 -0.77 0.00 0.00 57.85 57.59 2gaq n ARG 95 Cb 1.18 -1.76 0.00 0.00 -1.02 0.00 0.00 32.46 30.86 2gaq n ARG 95 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2gaq n ARG 96 N -3.17 0.00 0.23 5.56 3.00 0.70 -3.31 116.66 119.67 2gaq n ARG 96 Ca -0.22 0.45 0.15 0.00 -0.00 0.00 0.00 57.85 58.23 2gaq n ARG 96 Cb 1.05 -1.25 0.81 0.00 0.00 0.00 0.00 32.46 33.06 2gaq n ARG 96 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.63 176.79 2gaq h ILE 97 N 0.00 0.00 0.00 5.15 -0.00 -0.67 -2.64 117.51 119.35 2gaq h ILE 97 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.86 2gaq h ILE 97 Cb 0.00 0.66 0.00 0.00 -0.00 0.00 0.00 36.82 37.48 2gaq h ILE 97 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 178.15 177.91 2gaq n SER 98 N -2.55 0.00 -2.30 2.16 2.88 -1.21 -4.51 113.62 108.09 2gaq n SER 98 Ca -0.02 0.64 -0.03 0.00 -1.33 0.00 0.00 58.87 58.13 2gaq n SER 98 Cb 0.07 -0.14 0.04 0.00 -0.75 0.00 0.00 64.21 63.43 2gaq n SER 98 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2gaq n LYS 99 N -1.07 0.49 0.00 -1.46 2.85 -1.19 -4.85 118.16 112.93 2gaq n LYS 99 Ca 0.00 -0.73 0.00 0.00 -1.05 0.00 0.00 58.31 56.53 2gaq n LYS 99 Cb 0.00 0.08 0.00 0.00 -0.65 0.00 0.00 35.03 34.46 2gaq n LYS 99 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29