#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 -1.26 0.02 -4.62 -0.00 -1.26 -4.87 117.00 105.02 2gaq n LEU 2 Ca 0.00 -1.08 -0.07 0.00 -0.00 0.00 0.00 56.01 54.86 2gaq n LEU 2 Cb 0.00 -1.57 0.11 0.00 -0.00 0.00 0.00 43.42 41.96 2gaq n LEU 2 CO 0.00 0.54 0.55 0.16 -0.00 0.00 0.00 177.39 178.64 2gaq h ILE 3 N -0.99 1.32 0.00 1.47 3.07 -2.03 -3.43 117.51 116.91 2gaq h ILE 3 Ca -0.66 -1.68 0.00 0.00 1.55 0.00 0.00 64.86 64.07 2gaq h ILE 3 Cb 1.39 1.69 0.00 0.00 -0.27 0.00 0.00 36.82 39.63 2gaq h ILE 3 CO 0.41 0.52 0.00 -2.11 -1.05 0.00 0.00 178.15 175.92 2gaq n ARG 4 N -3.99 0.00 -0.02 0.16 1.85 -1.26 -4.95 116.66 108.44 2gaq n ARG 4 Ca -0.02 0.00 0.11 0.00 -1.00 0.00 0.00 57.85 56.94 2gaq n ARG 4 Cb 0.55 0.00 0.53 0.00 -1.05 0.00 0.00 32.46 32.49 2gaq n ARG 4 CO 0.00 0.00 0.00 -0.24 -0.01 0.00 0.00 177.63 177.38 2gaq h VAL 5 N 0.00 0.92 -4.14 8.89 3.04 -2.00 -3.47 116.25 119.50 2gaq h VAL 5 Ca 0.00 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.58 2gaq h VAL 5 Cb 0.00 0.56 0.00 0.00 -2.01 0.00 0.00 31.29 29.84 2gaq h VAL 5 CO 0.00 0.06 -0.04 0.00 -1.01 0.00 0.00 177.57 176.58 2gaq n ALA 6 N -2.53 -2.15 -0.32 3.17 0.00 -1.26 -4.93 120.51 112.48 2gaq n ALA 6 Ca 0.07 0.09 0.17 0.00 0.00 0.00 0.00 53.44 53.77 2gaq n ALA 6 Cb 0.33 -0.91 0.33 0.00 0.00 0.00 0.00 19.45 19.20 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 0.34 0.11 -2.97 0.00 -0.00 -1.91 -3.47 117.51 109.62 2gaq h ILE 7 Ca 0.00 -0.02 0.30 0.00 -0.00 0.00 0.00 64.86 65.13 2gaq h ILE 7 Cb 0.91 0.04 -0.13 0.00 -0.00 0.00 0.00 36.82 37.64 2gaq h ILE 7 CO 0.14 0.01 -0.80 0.18 -0.00 0.00 0.00 178.15 177.68 2gaq n LEU 8 N -5.37 -0.74 -0.09 2.19 7.99 -1.26 -4.34 117.00 115.37 2gaq n LEU 8 Ca 0.25 1.70 -0.09 0.00 -0.01 0.00 0.00 56.01 57.86 2gaq n LEU 8 Cb 0.81 -3.85 -0.15 0.00 -0.11 0.00 0.00 43.42 40.12 2gaq n LEU 8 CO -0.02 -2.31 -1.11 0.79 -1.51 0.00 0.00 177.39 173.23 2gaq n TRP 9 N -3.92 0.00 -0.25 -1.77 8.01 -1.26 -4.33 117.44 113.92 2gaq n TRP 9 Ca -0.04 0.00 0.10 0.00 -1.31 0.00 0.00 57.50 56.25 2gaq n TRP 9 Cb 0.63 -0.93 0.37 0.00 -2.01 0.00 0.00 31.31 29.37 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 0.80 -0.04 -5.99 -0.00 -1.93 -1.59 115.15 106.41 2gaq h HIS 10 Ca -0.50 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 59.89 2gaq h HIS 10 Cb 2.13 -0.26 -0.00 0.00 -0.00 0.00 0.00 27.41 29.29 2gaq h HIS 10 CO 0.00 0.34 0.00 0.93 -0.00 0.00 0.00 177.93 179.20 2gaq h GLU 11 N 0.72 0.06 0.00 5.26 4.39 -1.76 -1.63 114.58 121.62 2gaq h GLU 11 Ca 0.41 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 60.07 2gaq h GLU 11 Cb 0.58 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.22 2gaq h GLU 11 CO -0.17 0.32 -0.12 0.00 -1.16 0.00 0.00 179.01 177.88 2gaq h MET 12 N -0.21 0.00 -0.35 2.33 -0.00 -1.68 -2.02 114.93 113.00 2gaq h MET 12 Ca 0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 59.70 59.63 2gaq h MET 12 Cb 0.29 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.88 2gaq h MET 12 CO 0.00 0.12 -0.13 -1.49 -0.00 0.00 0.00 176.91 175.41 2gaq h TRP 13 N 0.00 0.67 -0.26 -0.10 -0.00 -0.35 0.71 115.95 116.61 2gaq h TRP 13 Ca -0.00 -0.11 0.06 0.00 -0.00 0.00 0.00 58.89 58.84 2gaq h TRP 13 Cb 0.36 -0.17 -0.08 0.00 -0.00 0.00 0.00 29.16 29.27 2gaq h TRP 13 CO 0.00 0.71 -0.32 0.45 -0.00 0.00 0.00 178.44 179.29 2gaq h HIS 14 N 0.56 -0.87 0.08 0.49 3.86 -0.81 0.24 115.15 118.70 2gaq h HIS 14 Ca 0.10 0.05 -0.33 0.00 -1.16 0.00 0.00 60.37 59.02 2gaq h HIS 14 Cb 0.55 0.42 -0.03 0.00 1.06 0.00 0.00 27.41 29.41 2gaq h HIS 14 CO 0.02 -0.38 -1.86 0.93 0.86 0.00 0.00 177.93 177.50 2gaq h GLU 15 N -0.32 0.16 -0.10 2.45 4.39 -1.69 -3.15 114.58 116.33 2gaq h GLU 15 Ca 0.13 -0.28 0.03 0.00 0.34 0.00 0.00 59.36 59.59 2gaq h GLU 15 Cb 0.53 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.28 2gaq h GLU 15 CO -0.44 0.93 0.09 0.78 -1.16 0.00 0.00 179.01 179.21 2gaq h GLY 16 N 2.07 0.00 1.50 -3.84 0.00 0.64 0.61 103.07 104.06 2gaq h GLY 16 Ca -0.36 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 46.68 2gaq h GLY 16 CO 0.09 0.00 -1.34 1.41 0.00 0.00 0.00 176.54 176.70 2gaq h LEU 17 N 0.00 0.43 -0.79 3.11 3.38 -0.64 -3.23 115.31 117.58 2gaq h LEU 17 Ca 0.05 -0.50 -0.13 0.00 0.09 0.00 0.00 57.88 57.39 2gaq h LEU 17 Cb 0.22 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2gaq h LEU 17 CO -0.00 1.40 -0.56 -0.08 0.09 0.00 0.00 178.44 179.28 2gaq h GLU 18 N 0.08 0.13 0.00 1.13 4.81 -0.75 1.02 114.58 121.00 2gaq h GLU 18 Ca -0.17 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 2gaq h GLU 18 Cb 2.00 0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.38 2gaq h GLU 18 CO 0.20 0.65 0.00 -1.91 -0.73 0.00 0.00 179.01 177.22 2gaq n GLU 19 N -3.89 0.17 -0.04 1.92 4.07 0.19 -1.73 120.64 121.33 2gaq n GLU 19 Ca -0.02 0.07 -0.09 0.00 -0.06 0.00 0.00 57.16 57.07 2gaq n GLU 19 Cb 0.58 -1.50 -0.03 0.00 -0.06 0.00 0.00 31.44 30.43 2gaq n GLU 19 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2gaq n ALA 20 N -1.40 2.40 0.01 4.31 0.00 -0.49 -4.35 120.51 120.99 2gaq n ALA 20 Ca 0.09 -0.35 0.08 0.00 0.00 0.00 0.00 53.44 53.26 2gaq n ALA 20 Cb 0.24 0.35 0.50 0.00 0.00 0.00 0.00 19.45 20.54 2gaq n ALA 20 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2gaq h SER 21 N -0.33 0.33 0.74 0.00 0.02 0.93 0.65 113.55 115.89 2gaq h SER 21 Ca -0.20 -0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.58 2gaq h SER 21 Cb 1.07 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.51 2gaq h SER 21 CO -0.12 0.22 -0.81 -0.09 -1.14 0.00 0.00 176.83 174.90 2gaq h ARG 22 N 0.38 0.05 0.00 3.45 2.43 -1.50 0.28 114.38 119.48 2gaq h ARG 22 Ca 0.18 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2gaq h ARG 22 Cb 0.22 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2gaq h ARG 22 CO -0.04 0.83 0.00 -0.07 -1.51 0.00 0.00 179.97 179.18 2gaq h LEU 23 N 0.03 0.00 0.00 3.80 -0.00 -1.07 -2.46 115.31 115.61 2gaq h LEU 23 Ca -0.02 0.00 -0.29 0.00 -0.00 0.00 0.00 57.88 57.57 2gaq h LEU 23 Cb 1.42 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 42.03 2gaq h LEU 23 CO 0.11 0.00 -2.10 0.00 -0.00 0.00 0.00 178.44 176.45 2gaq n TYR 24 N -2.98 0.00 -0.29 1.13 0.18 -1.07 -0.95 117.16 113.17 2gaq n TYR 24 Ca -0.01 0.00 0.10 0.00 1.88 0.00 0.00 57.90 59.87 2gaq n TYR 24 Cb 0.17 -0.76 0.24 0.00 -0.38 0.00 0.00 39.34 38.61 2gaq n TYR 24 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 2gaq h PHE 25 N 0.00 0.08 -0.00 -3.48 3.04 0.05 -3.28 116.94 113.36 2gaq h PHE 25 Ca -0.43 0.06 -0.13 0.00 3.98 0.00 0.00 57.97 61.44 2gaq h PHE 25 Cb 1.75 0.10 -0.14 0.00 2.56 0.00 0.00 35.95 40.22 2gaq h PHE 25 CO 0.02 -0.28 -0.31 0.41 -2.02 0.00 0.00 178.31 176.12 2gaq n GLY 26 N -1.43 0.63 0.00 2.40 0.00 -1.18 -4.94 105.19 100.67 2gaq n GLY 26 Ca 0.19 -0.04 0.04 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.10 2.42 -2.68 1.61 4.71 -1.21 -5.00 120.64 120.39 2gaq n GLU 27 Ca -0.26 -0.03 -0.08 0.00 -0.01 0.00 0.00 57.16 56.78 2gaq n GLU 27 Cb 0.73 -1.01 -0.01 0.00 -1.01 0.00 0.00 31.44 30.14 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 -1.46 -2.68 -3.27 3.49 5.12 -1.14 -4.83 116.66 111.87 2gaq n ARG 28 Ca -0.00 0.20 -0.26 0.00 -1.93 0.00 0.00 57.85 55.86 2gaq n ARG 28 Cb 0.15 -4.74 -0.07 0.00 -1.16 0.00 0.00 32.46 26.64 2gaq n ARG 28 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2gaq n ASN 29 N -1.70 2.80 0.30 0.55 2.85 -0.13 -4.86 115.26 115.07 2gaq n ASN 29 Ca -0.03 -3.27 0.19 0.00 -0.11 0.00 0.00 54.58 51.36 2gaq n ASN 29 Cb 0.53 -0.64 0.99 0.00 1.24 0.00 0.00 39.78 41.89 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 2.69 0.16 -0.41 3.44 2.07 -1.88 0.74 116.25 123.07 2gaq h VAL 30 Ca 0.15 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.60 2gaq h VAL 30 Cb 0.71 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 2gaq h VAL 30 CO 0.72 0.00 -0.05 0.07 0.02 0.00 0.00 177.57 178.33 2gaq h LYS 31 N 0.00 0.68 0.17 1.57 5.09 -1.90 -1.94 116.57 120.24 2gaq h LYS 31 Ca 0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 60.65 60.57 2gaq h LYS 31 Cb 0.32 -0.08 0.00 0.00 0.10 0.00 0.00 32.23 32.58 2gaq h LYS 31 CO -0.00 0.73 -0.08 0.78 -2.09 0.00 0.00 179.45 178.79 2gaq h GLY 32 N 0.95 -0.24 0.54 0.07 0.00 -1.19 -3.07 103.07 100.13 2gaq h GLY 32 Ca 0.12 0.09 0.19 0.00 0.00 0.00 0.00 47.33 47.73 2gaq h GLY 32 CO 0.02 -0.09 0.53 0.00 0.00 0.00 0.00 176.54 177.01 2gaq h MET 33 N -0.75 0.18 0.00 4.80 -0.00 -1.48 0.10 114.93 117.77 2gaq h MET 33 Ca -0.02 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.70 59.66 2gaq h MET 33 Cb 0.52 -0.04 -0.00 0.00 -0.00 0.00 0.00 31.60 32.07 2gaq h MET 33 CO 0.04 0.12 -0.04 0.35 -0.00 0.00 0.00 176.91 177.38 2gaq h PHE 34 N 0.18 0.00 0.12 -0.10 3.57 -1.26 0.21 116.94 119.65 2gaq h PHE 34 Ca 0.38 0.00 -0.29 0.00 3.53 0.00 0.00 57.97 61.58 2gaq h PHE 34 Cb 1.21 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.94 2gaq h PHE 34 CO -0.00 0.04 -1.41 1.49 -2.23 0.00 0.00 178.31 176.19 2gaq h GLU 35 N 0.00 0.25 0.00 1.11 4.57 -0.72 -0.74 114.58 119.05 2gaq h GLU 35 Ca -0.00 -0.42 -0.21 0.00 -1.18 0.00 0.00 59.36 57.55 2gaq h GLU 35 Cb 0.49 0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 29.20 2gaq h GLU 35 CO 0.00 1.14 -1.36 -0.24 -1.18 0.00 0.00 179.01 177.37 2gaq h VAL 36 N 0.07 0.85 0.00 0.32 3.04 -1.39 -3.34 116.25 115.79 2gaq h VAL 36 Ca -0.20 -2.49 -0.15 0.00 -1.01 0.00 0.00 66.70 62.86 2gaq h VAL 36 Cb 1.99 2.34 -0.02 0.00 -2.01 0.00 0.00 31.29 33.59 2gaq h VAL 36 CO 0.18 0.48 -0.69 0.25 -1.01 0.00 0.00 177.57 176.78 2gaq h LEU 37 N 0.00 0.00 -0.12 3.16 7.12 -0.71 -2.85 115.31 121.91 2gaq h LEU 37 Ca -0.17 0.00 0.05 0.00 0.13 0.00 0.00 57.88 57.89 2gaq h LEU 37 Cb 1.75 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 41.82 2gaq h LEU 37 CO 0.07 0.69 -0.26 -0.33 -0.13 0.00 0.00 178.44 178.48 2gaq h GLU 38 N 0.00 -0.32 -0.10 1.25 5.08 -1.25 0.24 114.58 119.48 2gaq h GLU 38 Ca -0.01 0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 58.20 2gaq h GLU 38 Cb 1.44 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.76 2gaq h GLU 38 CO 0.09 -0.22 -0.67 -1.00 -1.00 0.00 0.00 179.01 176.21 2gaq h PRO 39 N -0.34 0.41 0.00 2.33 0.13 -1.73 -2.76 132.00 130.04 2gaq h PRO 39 Ca 0.10 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 2gaq h PRO 39 Cb 0.48 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.67 2gaq h PRO 39 CO -0.31 0.93 0.00 -0.07 -0.23 0.00 0.00 178.00 178.32 2gaq h LEU 40 N 0.29 0.00 0.05 1.56 3.38 -1.19 0.61 115.31 120.00 2gaq h LEU 40 Ca -0.02 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.67 2gaq h LEU 40 Cb 1.23 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 2gaq h LEU 40 CO 0.12 0.00 -1.51 -0.74 0.09 0.00 0.00 178.44 176.40 2gaq h HIS 41 N 0.00 0.18 0.13 1.13 2.76 -0.30 -3.27 115.15 115.78 2gaq h HIS 41 Ca 0.00 -0.13 -0.31 0.00 -2.20 0.00 0.00 60.37 57.72 2gaq h HIS 41 Cb 0.15 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.10 2gaq h HIS 41 CO 0.00 1.18 -1.61 0.00 -1.30 0.00 0.00 177.93 176.20 2gaq h ALA 42 N 0.77 0.22 0.00 5.26 0.00 -0.89 -2.75 119.26 121.87 2gaq h ALA 42 Ca -0.22 -1.17 0.00 0.00 0.00 0.00 0.00 54.91 53.53 2gaq h ALA 42 Cb 1.96 0.53 0.00 0.00 0.00 0.00 0.00 17.79 20.28 2gaq h ALA 42 CO 0.12 0.97 0.00 -1.33 0.00 0.00 0.00 179.25 179.00 2gaq n MET 43 N -3.78 0.50 -0.00 0.00 2.00 0.20 -1.49 117.12 114.55 2gaq n MET 43 Ca -0.27 0.00 0.02 0.00 0.00 0.00 0.00 57.70 57.45 2gaq n MET 43 Cb 0.97 -1.46 -0.02 0.00 0.00 0.00 0.00 33.22 32.70 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 -0.96 1.28 0.01 0.03 3.85 -1.23 -4.80 117.12 115.29 2gaq n MET 44 Ca 0.11 -0.02 -0.15 0.00 -1.00 0.00 0.00 57.70 56.63 2gaq n MET 44 Cb 0.05 -0.99 -0.14 0.00 -1.05 0.00 0.00 33.22 31.09 2gaq n MET 44 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 2gaq h GLU 45 N 0.00 0.17 -0.90 3.17 4.22 -1.02 -3.37 114.58 116.86 2gaq h GLU 45 Ca 0.00 -0.29 0.23 0.00 0.08 0.00 0.00 59.36 59.38 2gaq h GLU 45 Cb 0.13 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 2gaq h GLU 45 CO 0.00 0.94 0.61 -0.09 -2.18 0.00 0.00 179.01 178.29 2gaq h ARG 46 N 0.05 0.21 0.00 1.92 2.43 -1.55 -3.47 114.38 113.97 2gaq h ARG 46 Ca -0.32 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 2gaq h ARG 46 Cb 2.02 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.52 2gaq h ARG 46 CO 0.11 0.14 0.00 0.41 -1.51 0.00 0.00 179.97 179.12 2gaq n GLY 47 N -1.60 2.76 0.02 2.80 0.00 -1.26 -5.08 105.19 102.82 2gaq n GLY 47 Ca 0.19 -1.79 -0.00 0.00 0.00 0.00 0.00 46.02 44.42 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 0.55 -1.17 0.00 1.61 -0.04 -1.26 -4.99 135.00 129.70 2gaq n PRO 48 Ca 0.00 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2gaq n PRO 48 Cb 0.00 -0.01 0.00 0.00 -0.04 0.00 0.00 33.50 33.45 2gaq n PRO 48 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2gaq n GLN 49 N -1.59 0.00 0.00 0.54 -0.06 -1.26 -5.06 117.38 109.95 2gaq n GLN 49 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2gaq n GLN 49 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 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 -0.67 0.00 0.00 1.69 5.66 -1.26 -4.96 114.28 114.75 2gaq n THR 50 Ca 0.00 0.31 0.00 0.00 -3.05 0.00 0.00 64.05 61.31 2gaq n THR 50 Cb 0.00 -1.25 0.00 0.00 -1.55 0.00 0.00 70.33 67.53 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 0.00 -0.04 1.09 7.94 -1.26 -5.01 117.00 119.73 2gaq n LEU 51 Ca 0.00 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.85 2gaq n LEU 51 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 2gaq n LEU 51 CO 0.00 0.00 -0.73 0.29 -1.11 0.00 0.00 177.39 175.84 2gaq n LYS 52 N 0.00 0.18 -1.99 1.96 5.02 -1.26 -4.81 118.16 117.26 2gaq n LYS 52 Ca 0.00 0.04 -0.42 0.00 -2.02 0.00 0.00 58.31 55.91 2gaq n LYS 52 Cb 0.00 -1.14 -0.01 0.00 -0.02 0.00 0.00 35.03 33.87 2gaq n LYS 52 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2gaq n GLU 53 N -2.72 2.83 -2.66 1.97 4.07 -1.26 -4.32 120.64 118.55 2gaq n GLU 53 Ca -0.13 -2.77 -0.05 0.00 -0.06 0.00 0.00 57.16 54.15 2gaq n GLU 53 Cb 0.63 -3.35 0.11 0.00 -0.06 0.00 0.00 31.44 28.77 2gaq n GLU 53 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 2gaq n THR 54 N 5.69 0.00 -1.41 6.31 -1.04 -1.26 -4.48 114.28 118.10 2gaq n THR 54 Ca 0.51 -1.27 -0.07 0.00 -2.04 0.00 0.00 64.05 61.17 2gaq n THR 54 Cb 0.42 0.96 0.20 0.00 -1.82 0.00 0.00 70.33 70.09 2gaq n THR 54 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2gaq n SER 55 N -0.86 2.73 0.05 8.00 7.64 -1.26 -4.03 113.62 125.89 2gaq n SER 55 Ca -0.09 -3.73 0.00 0.00 1.01 0.00 0.00 58.87 56.06 2gaq n SER 55 Cb 0.84 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 2gaq n SER 55 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2gaq n PHE 56 N -1.10 -0.86 0.23 1.43 3.01 -1.26 -4.56 117.46 114.36 2gaq n PHE 56 Ca 0.37 0.15 0.13 0.00 1.01 0.00 0.00 57.45 59.11 2gaq n PHE 56 Cb 1.14 0.52 0.34 0.00 -0.01 0.00 0.00 39.48 41.47 2gaq n PHE 56 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 2gaq h ASN 57 N 0.00 0.00 -0.01 4.37 2.35 -1.81 0.33 115.58 120.81 2gaq h ASN 57 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2gaq h ASN 57 Cb 0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.39 2gaq h ASN 57 CO 0.00 0.05 -0.03 0.00 -1.65 0.00 0.00 177.43 175.80 2gaq n GLN 58 N -3.13 0.52 -0.02 0.81 1.13 -1.26 -4.23 117.38 111.21 2gaq n GLN 58 Ca 0.03 -0.96 -0.03 0.00 -1.94 0.00 0.00 57.00 54.10 2gaq n GLN 58 Cb 0.47 -1.15 -0.02 0.00 0.11 0.00 0.00 30.24 29.65 2gaq n GLN 58 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2gaq n ALA 59 N 0.38 1.93 -3.02 -1.58 0.00 -1.19 -4.96 120.51 112.07 2gaq n ALA 59 Ca 0.05 -0.18 -0.11 0.00 0.00 0.00 0.00 53.44 53.20 2gaq n ALA 59 Cb 0.21 0.40 -0.03 0.00 0.00 0.00 0.00 19.45 20.04 2gaq n ALA 59 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2gaq s TYR 60 N -2.08 -0.81 -1.33 0.00 2.02 0.11 -4.98 117.35 110.28 2gaq s TYR 60 Ca -0.06 -0.98 0.09 0.00 -0.37 0.00 0.00 57.07 55.75 2gaq s TYR 60 Cb 0.01 -0.07 0.42 0.00 -0.40 0.00 0.00 41.96 41.93 2gaq s TYR 60 CO 0.10 -1.13 1.18 0.41 -1.57 0.00 0.00 175.55 174.54 2gaq n GLY 61 N 3.15 -0.62 0.02 0.71 0.00 -1.13 -1.28 105.19 106.04 2gaq n GLY 61 Ca 0.20 -0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.33 0.65 0.00 1.61 5.12 -1.26 -4.21 116.66 117.24 2gaq n ARG 62 Ca 0.04 -0.14 0.00 0.00 -1.93 0.00 0.00 57.85 55.82 2gaq n ARG 62 Cb 0.08 -1.42 0.00 0.00 -1.16 0.00 0.00 32.46 29.96 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 -2.19 0.00 -0.08 0.55 2.03 -0.40 -3.73 116.55 112.72 2gaq n ASP 63 Ca -0.07 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.28 2gaq n ASP 63 Cb 0.55 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 41.01 2gaq n ASP 63 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2gaq n LEU 64 N 0.00 -0.03 -0.21 -2.67 4.77 -1.26 -0.20 117.00 117.39 2gaq n LEU 64 Ca 0.00 0.40 -0.03 0.00 -0.03 0.00 0.00 56.01 56.35 2gaq n LEU 64 Cb 0.00 -0.14 0.03 0.00 -2.33 0.00 0.00 43.42 40.98 2gaq n LEU 64 CO 0.00 -0.41 0.67 -0.03 -1.33 0.00 0.00 177.39 176.29 2gaq h MET 65 N 0.00 -0.10 0.05 3.23 4.05 -1.82 0.41 114.93 120.76 2gaq h MET 65 Ca 0.14 0.01 -0.29 0.00 -0.28 0.00 0.00 59.70 59.28 2gaq h MET 65 Cb 0.28 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.08 2gaq h MET 65 CO -0.23 -0.07 -1.53 0.93 0.23 0.00 0.00 176.91 176.25 2gaq h GLU 66 N -0.10 0.11 -0.05 0.39 5.08 -0.67 -0.65 114.58 118.69 2gaq h GLU 66 Ca 0.27 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2gaq h GLU 66 Cb 0.53 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 2gaq h GLU 66 CO -0.68 0.88 0.23 0.00 -1.00 0.00 0.00 179.01 178.44 2gaq h ALA 67 N 0.74 1.35 0.00 3.43 0.00 0.15 -1.67 119.26 123.25 2gaq h ALA 67 Ca -0.23 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 2gaq h ALA 67 Cb 1.97 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.74 2gaq h ALA 67 CO 0.12 -0.26 -1.46 0.00 0.00 0.00 0.00 179.25 177.65 2gaq n GLN 68 N -3.10 2.59 0.08 0.00 10.64 0.12 -4.69 117.38 123.03 2gaq n GLN 68 Ca -0.01 -0.01 0.20 0.00 -1.83 0.00 0.00 57.00 55.35 2gaq n GLN 68 Cb 0.30 -1.18 0.75 0.00 -0.86 0.00 0.00 30.24 29.25 2gaq n GLN 68 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 2gaq h GLU 69 N 0.00 0.00 -1.32 2.61 4.81 -0.13 0.25 114.58 120.80 2gaq h GLU 69 Ca -0.17 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.96 2gaq h GLU 69 Cb 1.32 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.64 2gaq h GLU 69 CO 0.01 0.00 0.14 0.91 -0.73 0.00 0.00 179.01 179.33 2gaq n TRP 70 N -3.80 0.57 -0.04 0.92 5.03 -1.15 -4.30 117.44 114.68 2gaq n TRP 70 Ca 0.08 -0.99 -0.15 0.00 3.03 0.00 0.00 57.50 59.47 2gaq n TRP 70 Cb 0.61 -0.49 -0.12 0.00 -1.03 0.00 0.00 31.31 30.28 2gaq n TRP 70 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 2gaq h ARG 72 N -0.68 0.00 0.00 0.00 0.11 -1.83 0.49 114.38 112.47 2gaq h ARG 72 Ca -0.02 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 59.81 2gaq h ARG 72 Cb 0.97 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.01 2gaq h ARG 72 CO 0.03 0.00 -1.39 1.63 0.10 0.00 0.00 179.97 180.34 2gaq n LYS 73 N -3.50 0.56 0.21 0.08 4.76 -1.19 -3.03 118.16 116.05 2gaq n LYS 73 Ca -0.00 0.53 0.15 0.00 -2.87 0.00 0.00 58.31 56.12 2gaq n LYS 73 Cb 0.26 -1.71 0.73 0.00 -1.84 0.00 0.00 35.03 32.46 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 -1.00 0.00 0.00 2.13 3.20 0.11 0.36 116.97 121.77 2gaq h TYR 74 Ca -0.38 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.49 2gaq h TYR 74 Cb 1.31 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.58 2gaq h TYR 74 CO 0.06 0.00 -0.20 0.52 -1.64 0.00 0.00 178.16 176.90 2gaq h MET 75 N 0.00 0.00 0.08 1.82 2.86 -0.19 -3.20 114.93 116.30 2gaq h MET 75 Ca 0.00 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.46 2gaq h MET 75 Cb 0.13 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 2gaq h MET 75 CO 0.00 0.00 -0.89 0.87 1.06 0.00 0.00 176.91 177.95 2gaq h LYS 76 N -0.72 0.16 -0.09 1.72 1.57 -1.44 -3.35 116.57 114.43 2gaq h LYS 76 Ca 0.00 -0.28 -0.21 0.00 -1.87 0.00 0.00 60.65 58.29 2gaq h LYS 76 Cb 0.20 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2gaq h LYS 76 CO 0.00 1.13 -0.79 1.03 -0.57 0.00 0.00 179.45 180.26 2gaq h SER 77 N -0.59 0.66 -3.20 0.86 0.87 -0.63 -3.47 113.55 108.05 2gaq h SER 77 Ca -0.19 -0.45 -0.20 0.00 -1.23 0.00 0.00 61.79 59.71 2gaq h SER 77 Cb 1.48 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 63.21 2gaq h SER 77 CO 0.03 1.22 -0.24 0.61 -0.53 0.00 0.00 176.83 177.92 2gaq n GLY 78 N 0.68 -0.01 3.63 5.77 0.00 0.53 -4.85 105.19 110.95 2gaq n GLY 78 Ca -0.06 0.00 -0.42 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 -1.97 6.85 0.57 1.61 2.47 -1.26 -4.88 114.94 118.33 2gaq s ASN 79 Ca 0.00 0.95 0.20 0.00 0.42 0.00 0.00 52.86 54.44 2gaq s ASN 79 Cb 0.00 -2.48 1.10 0.00 -1.45 0.00 0.00 41.25 38.41 2gaq s ASN 79 CO 0.00 -0.72 1.58 0.58 -3.72 0.00 0.00 177.10 174.82 2gaq h VAL 80 N 5.62 0.00 -0.42 -5.21 2.07 -1.97 0.16 116.25 116.49 2gaq h VAL 80 Ca -0.22 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.42 2gaq h VAL 80 Cb 1.08 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 2gaq h VAL 80 CO 0.96 0.00 0.51 0.11 0.02 0.00 0.00 177.57 179.17 2gaq h LYS 81 N 0.00 0.00 0.02 1.57 1.79 -1.99 0.81 116.57 118.77 2gaq h LYS 81 Ca 0.00 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.18 2gaq h LYS 81 Cb 0.89 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.50 2gaq h LYS 81 CO 0.00 0.00 -1.67 -0.44 -1.08 0.00 0.00 179.45 176.26 2gaq h ASP 82 N 0.00 0.07 0.28 0.86 3.32 -1.07 -3.37 116.42 116.51 2gaq h ASP 82 Ca 0.20 -0.15 -0.34 0.00 0.02 0.00 0.00 57.03 56.77 2gaq h ASP 82 Cb 1.23 -0.02 0.03 0.00 0.22 0.00 0.00 39.33 40.78 2gaq h ASP 82 CO -0.00 1.13 -1.55 0.25 -1.72 0.00 0.00 179.24 177.35 2gaq h LEU 83 N 0.01 0.74 -1.94 1.55 7.12 -0.69 0.13 115.31 122.24 2gaq h LEU 83 Ca -0.28 -0.88 0.09 0.00 0.13 0.00 0.00 57.88 56.95 2gaq h LEU 83 Cb 2.00 -0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 41.87 2gaq h LEU 83 CO 0.09 1.70 0.43 0.00 -0.13 0.00 0.00 178.44 180.53 2gaq h THR 84 N 0.13 0.26 0.00 1.05 1.03 0.26 0.62 112.91 116.26 2gaq h THR 84 Ca -0.27 0.00 -0.32 0.00 -0.01 0.00 0.00 66.41 65.80 2gaq h THR 84 Cb 2.14 0.63 -0.06 0.00 -1.07 0.00 0.00 68.15 69.79 2gaq h THR 84 CO 0.24 0.00 -2.23 0.00 -0.01 0.00 0.00 175.52 173.52 2gaq n GLN 85 N -3.46 0.68 0.08 0.00 6.02 -1.19 -4.05 117.38 115.46 2gaq n GLN 85 Ca 0.05 0.10 0.04 0.00 -0.01 0.00 0.00 57.00 57.18 2gaq n GLN 85 Cb 0.57 -1.44 0.44 0.00 1.02 0.00 0.00 30.24 30.83 2gaq n GLN 85 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2gaq h ALA 86 N 0.16 1.66 -0.68 -1.58 0.00 0.21 0.24 119.26 119.29 2gaq h ALA 86 Ca -0.48 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.31 2gaq h ALA 86 Cb 1.81 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.46 2gaq h ALA 86 CO -0.06 0.26 0.33 2.35 0.00 0.00 0.00 179.25 182.14 2gaq h TRP 87 N 0.36 0.98 -0.33 0.00 2.91 0.00 0.68 115.95 120.55 2gaq h TRP 87 Ca 0.09 -0.05 -0.07 0.00 1.13 0.00 0.00 58.89 59.99 2gaq h TRP 87 Cb 0.11 -0.30 -0.01 0.00 -0.51 0.00 0.00 29.16 28.45 2gaq h TRP 87 CO 0.00 0.73 -0.09 0.22 -1.03 0.00 0.00 178.44 178.27 2gaq h ASP 88 N 0.94 0.64 -0.31 2.65 1.82 -1.18 0.27 116.42 121.26 2gaq h ASP 88 Ca 0.23 -0.37 -0.13 0.00 -0.39 0.00 0.00 57.03 56.38 2gaq h ASP 88 Cb 0.11 -0.18 -0.00 0.00 0.68 0.00 0.00 39.33 39.94 2gaq h ASP 88 CO -0.03 0.86 -0.31 -0.07 -1.61 0.00 0.00 179.24 178.08 2gaq h LEU 89 N 0.41 0.81 -0.44 2.28 3.38 -0.53 0.73 115.31 121.95 2gaq h LEU 89 Ca 0.08 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.58 2gaq h LEU 89 Cb 0.59 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2gaq h LEU 89 CO 0.03 1.11 0.26 1.88 0.09 0.00 0.00 178.44 181.82 2gaq h TYR 90 N 0.52 0.58 0.01 1.13 0.05 0.49 0.80 116.97 120.54 2gaq h TYR 90 Ca 0.05 -0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.67 2gaq h TYR 90 Cb 0.89 -0.19 0.01 0.00 1.01 0.00 0.00 36.73 38.45 2gaq h TYR 90 CO 0.07 0.41 -0.61 -0.92 -1.05 0.00 0.00 178.16 176.07 2gaq h TYR 91 N 0.58 0.60 -0.80 4.88 3.20 -0.31 0.21 116.97 125.34 2gaq h TYR 91 Ca 0.16 -0.33 0.09 0.00 3.14 0.00 0.00 58.73 61.79 2gaq h TYR 91 Cb 0.00 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.15 2gaq h TYR 91 CO -0.03 1.15 0.52 1.25 -1.64 0.00 0.00 178.16 179.41 2gaq h HIS 92 N -0.13 0.79 0.00 -3.82 2.76 0.58 -1.57 115.15 113.76 2gaq h HIS 92 Ca -0.08 0.02 -0.17 0.00 -2.20 0.00 0.00 60.37 57.94 2gaq h HIS 92 Cb 1.33 -0.26 -0.03 0.00 1.55 0.00 0.00 27.41 30.00 2gaq h HIS 92 CO 0.15 0.37 -1.27 -0.24 -1.30 0.00 0.00 177.93 175.64 2gaq h VAL 93 N 0.74 0.64 -0.67 5.26 3.04 -0.86 -3.24 116.25 121.15 2gaq h VAL 93 Ca 0.36 -2.16 0.20 0.00 -1.01 0.00 0.00 66.70 64.09 2gaq h VAL 93 Cb 0.43 2.17 -0.03 0.00 -2.01 0.00 0.00 31.29 31.85 2gaq h VAL 93 CO -0.14 0.37 0.58 0.15 -1.01 0.00 0.00 177.57 177.52 2gaq h PHE 94 N 0.00 0.00 0.00 3.17 3.57 0.49 0.27 116.94 124.44 2gaq h PHE 94 Ca -0.14 0.00 -0.26 0.00 3.53 0.00 0.00 57.97 61.10 2gaq h PHE 94 Cb 1.60 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.29 2gaq h PHE 94 CO 0.00 0.00 -2.12 0.54 -2.23 0.00 0.00 178.31 174.50 2gaq n ARG 95 N -3.96 0.67 0.07 1.11 1.74 -1.19 -3.83 116.66 111.27 2gaq n ARG 95 Ca 0.13 0.01 -0.03 0.00 -0.77 0.00 0.00 57.85 57.19 2gaq n ARG 95 Cb 0.83 -1.58 -0.01 0.00 -1.02 0.00 0.00 32.46 30.67 2gaq n ARG 95 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2gaq h ARG 96 N 0.00 -0.19 0.00 5.56 2.47 -0.73 -3.12 114.38 118.37 2gaq h ARG 96 Ca -0.37 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.37 2gaq h ARG 96 Cb 1.89 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 30.25 2gaq h ARG 96 CO 0.03 -0.12 0.00 0.44 0.56 0.00 0.00 179.97 180.88 2gaq n ILE 97 N -3.02 0.91 -0.19 2.04 -6.64 0.65 -2.00 119.36 111.11 2gaq n ILE 97 Ca -0.02 0.26 -0.07 0.00 -1.77 0.00 0.00 62.75 61.15 2gaq n ILE 97 Cb 0.08 -1.14 0.02 0.00 -1.44 0.00 0.00 39.64 37.16 2gaq n ILE 97 CO 0.00 0.00 0.00 -1.28 -1.77 0.00 0.00 176.55 173.50 2gaq h SER 98 N 0.00 0.65 -5.92 7.28 0.87 -1.58 -3.46 113.55 111.38 2gaq h SER 98 Ca 0.00 -0.05 -0.42 0.00 -1.23 0.00 0.00 61.79 60.09 2gaq h SER 98 Cb 0.31 -0.16 0.10 0.00 -0.44 0.00 0.00 62.40 62.20 2gaq h SER 98 CO 0.00 0.51 -0.70 0.29 -0.53 0.00 0.00 176.83 176.40 2gaq n LYS 99 N -4.67 -7.35 0.00 2.24 5.02 -0.85 -5.06 118.16 107.49 2gaq n LYS 99 Ca 0.03 0.78 0.00 0.00 -2.02 0.00 0.00 58.31 57.10 2gaq n LYS 99 Cb 0.05 -5.79 0.00 0.00 -0.02 0.00 0.00 35.03 29.27 2gaq n LYS 99 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82