#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 -1.90 -2.69 4.31 -0.00 -1.26 -4.62 117.00 110.84 2gaq n LEU 2 Ca 0.00 -1.33 -0.07 0.00 -0.00 0.00 0.00 56.01 54.61 2gaq n LEU 2 Cb 0.00 -0.57 0.07 0.00 -0.00 0.00 0.00 43.42 42.93 2gaq n LEU 2 CO 0.00 -1.52 0.19 -0.38 -0.00 0.00 0.00 177.39 175.68 2gaq n ILE 3 N 4.27 0.56 0.00 1.47 2.08 -1.26 -4.76 119.36 121.72 2gaq n ILE 3 Ca 0.00 -2.28 0.00 0.00 0.56 0.00 0.00 62.75 61.03 2gaq n ILE 3 Cb 0.47 0.88 0.00 0.00 -0.75 0.00 0.00 39.64 40.25 2gaq n ILE 3 CO 0.00 0.00 0.00 -2.11 0.56 0.00 0.00 176.55 175.00 2gaq n ARG 4 N -0.44 0.00 0.00 0.38 1.85 -1.26 -4.96 116.66 112.22 2gaq n ARG 4 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.87 2gaq n ARG 4 Cb 0.83 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.24 2gaq n ARG 4 CO 0.00 0.00 0.00 1.55 -0.01 0.00 0.00 177.63 179.17 2gaq n VAL 5 N 0.00 0.00 -2.33 8.89 3.14 -1.26 -5.03 118.33 121.74 2gaq n VAL 5 Ca 0.00 0.00 -0.19 0.00 -2.96 0.00 0.00 64.34 61.19 2gaq n VAL 5 Cb 0.00 -0.50 -0.02 0.00 -1.06 0.00 0.00 33.84 32.26 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 -2.18 -0.63 -0.19 1.55 0.00 -1.26 -4.86 120.51 112.94 2gaq n ALA 6 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2gaq n ALA 6 Cb 0.41 -2.00 0.10 0.00 0.00 0.00 0.00 19.45 17.97 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 0.69 -0.47 0.00 -0.00 -1.98 -3.47 117.51 112.29 2gaq h ILE 7 Ca -0.44 -0.11 0.03 0.00 -0.00 0.00 0.00 64.86 64.35 2gaq h ILE 7 Cb 1.32 0.36 -0.01 0.00 -0.00 0.00 0.00 36.82 38.49 2gaq h ILE 7 CO 0.52 0.06 -0.04 0.18 -0.00 0.00 0.00 178.15 178.87 2gaq n LEU 8 N -5.08 0.00 -0.07 2.19 7.99 -1.26 -4.37 117.00 116.40 2gaq n LEU 8 Ca 0.08 0.11 -0.11 0.00 -0.01 0.00 0.00 56.01 56.08 2gaq n LEU 8 Cb 0.30 -0.46 -0.06 0.00 -0.11 0.00 0.00 43.42 43.09 2gaq n LEU 8 CO 0.19 -0.38 -0.96 0.79 -1.51 0.00 0.00 177.39 175.52 2gaq n TRP 9 N -0.69 0.00 -0.36 -1.77 8.01 -1.26 -4.51 117.44 116.86 2gaq n TRP 9 Ca 0.00 0.00 0.30 0.00 -1.31 0.00 0.00 57.50 56.49 2gaq n TRP 9 Cb 0.05 -0.52 0.61 0.00 -2.01 0.00 0.00 31.31 29.44 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 -0.17 0.43 0.58 -5.99 -0.00 -1.91 0.86 115.15 108.96 2gaq h HIS 10 Ca -0.32 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.04 2gaq h HIS 10 Cb 1.42 -0.12 0.01 0.00 -0.00 0.00 0.00 27.41 28.71 2gaq h HIS 10 CO -0.00 -0.02 -0.28 0.93 -0.00 0.00 0.00 177.93 178.56 2gaq h GLU 11 N 0.21 -0.75 0.00 5.26 4.39 -1.80 -2.24 114.58 119.64 2gaq h GLU 11 Ca 0.65 0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.40 2gaq h GLU 11 Cb 2.02 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 30.84 2gaq h GLU 11 CO -0.24 -0.45 0.00 0.00 -1.16 0.00 0.00 179.01 177.16 2gaq h MET 12 N -0.93 0.00 -0.28 2.33 -0.00 -1.43 -2.73 114.93 111.90 2gaq h MET 12 Ca -0.08 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.58 2gaq h MET 12 Cb 0.65 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.24 2gaq h MET 12 CO 0.13 0.00 0.00 -1.49 -0.00 0.00 0.00 176.91 175.55 2gaq h TRP 13 N 0.00 0.54 0.47 -0.10 -0.00 -0.33 0.57 115.95 117.10 2gaq h TRP 13 Ca 0.00 -0.09 -0.01 0.00 -0.00 0.00 0.00 58.89 58.79 2gaq h TRP 13 Cb 0.35 -0.14 -0.02 0.00 -0.00 0.00 0.00 29.16 29.34 2gaq h TRP 13 CO 0.00 0.64 -0.44 0.45 -0.00 0.00 0.00 178.44 179.09 2gaq h HIS 14 N 0.28 -1.21 -0.16 0.49 3.86 -1.09 0.46 115.15 117.78 2gaq h HIS 14 Ca 0.08 0.01 -0.15 0.00 -1.16 0.00 0.00 60.37 59.15 2gaq h HIS 14 Cb 0.42 0.47 0.00 0.00 1.06 0.00 0.00 27.41 29.36 2gaq h HIS 14 CO 0.04 -0.61 -0.48 0.93 0.86 0.00 0.00 177.93 178.67 2gaq h GLU 15 N -0.92 0.61 0.00 2.45 5.08 -1.68 0.11 114.58 120.22 2gaq h GLU 15 Ca -0.05 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2gaq h GLU 15 Cb 0.80 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2gaq h GLU 15 CO -0.05 1.06 0.00 0.78 -1.00 0.00 0.00 179.01 179.80 2gaq h GLY 16 N 0.27 0.00 0.60 -3.84 0.00 0.39 0.95 103.07 101.45 2gaq h GLY 16 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.02 2gaq h GLY 16 CO 0.10 0.00 -1.93 1.04 0.00 0.00 0.00 176.54 175.76 2gaq n LEU 17 N -3.07 0.54 -0.04 3.11 4.77 0.16 -3.81 117.00 118.66 2gaq n LEU 17 Ca -0.02 0.25 -0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2gaq n LEU 17 Cb 0.15 0.27 -0.00 0.00 -2.33 0.00 0.00 43.42 41.51 2gaq n LEU 17 CO 0.22 0.39 0.00 -0.08 -1.33 0.00 0.00 177.39 176.60 2gaq h GLU 18 N 0.00 -0.01 -0.57 3.23 4.81 0.71 0.30 114.58 123.04 2gaq h GLU 18 Ca -0.36 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.04 2gaq h GLU 18 Cb 2.02 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.38 2gaq h GLU 18 CO 0.06 -0.01 0.41 1.49 -0.73 0.00 0.00 179.01 180.23 2gaq h GLU 19 N -0.88 0.02 0.05 1.92 4.57 0.61 0.74 114.58 121.62 2gaq h GLU 19 Ca -0.00 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2gaq h GLU 19 Cb 0.01 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2gaq h GLU 19 CO 0.00 0.01 -0.03 0.00 -1.18 0.00 0.00 179.01 177.82 2gaq h ALA 20 N 1.71 -0.14 -0.64 2.92 0.00 -1.66 -3.23 119.26 118.23 2gaq h ALA 20 Ca 0.27 -0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.35 2gaq h ALA 20 Cb 1.06 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 2gaq h ALA 20 CO -0.01 -0.13 0.53 0.66 0.00 0.00 0.00 179.25 180.30 2gaq h SER 21 N -0.48 0.00 -0.43 0.00 4.64 0.32 0.18 113.55 117.78 2gaq h SER 21 Ca -0.01 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.22 2gaq h SER 21 Cb 0.06 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 2gaq h SER 21 CO 0.01 0.00 -0.07 -0.09 -0.87 0.00 0.00 176.83 175.82 2gaq h ARG 22 N 0.00 0.87 0.00 4.77 2.43 0.33 1.09 114.38 123.87 2gaq h ARG 22 Ca 0.30 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2gaq h ARG 22 Cb 1.36 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 2gaq h ARG 22 CO -0.00 0.91 0.00 1.28 -1.51 0.00 0.00 179.97 180.65 2gaq n LEU 23 N -4.17 0.00 -0.02 3.80 7.99 0.63 -2.54 117.00 122.69 2gaq n LEU 23 Ca 0.02 0.44 -0.02 0.00 -0.01 0.00 0.00 56.01 56.44 2gaq n LEU 23 Cb 0.35 -0.44 -0.01 0.00 -0.11 0.00 0.00 43.42 43.21 2gaq n LEU 23 CO 0.43 -0.36 -0.60 0.00 -1.51 0.00 0.00 177.39 175.35 2gaq n TYR 24 N -1.44 0.00 -0.26 -1.77 9.36 -0.58 0.17 117.16 122.64 2gaq n TYR 24 Ca 0.02 0.00 0.06 0.00 3.32 0.00 0.00 57.90 61.30 2gaq n TYR 24 Cb 0.06 -0.12 0.17 0.00 -0.63 0.00 0.00 39.34 38.82 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 0.02 0.00 2.98 3.57 0.15 -3.31 116.94 120.36 2gaq h PHE 25 Ca -0.07 0.05 -0.13 0.00 3.53 0.00 0.00 57.97 61.36 2gaq h PHE 25 Cb 1.11 0.11 -0.17 0.00 2.79 0.00 0.00 35.95 39.80 2gaq h PHE 25 CO 0.00 -0.22 -0.41 0.41 -2.23 0.00 0.00 178.31 175.86 2gaq n GLY 26 N -1.41 0.63 0.00 2.40 0.00 -1.13 -4.91 105.19 100.77 2gaq n GLY 26 Ca 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2gaq n GLY 26 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2gaq n GLU 27 N 0.09 5.97 -3.35 1.61 4.07 -1.17 -5.02 120.64 122.84 2gaq n GLU 27 Ca -0.19 0.00 -0.19 0.00 -0.06 0.00 0.00 57.16 56.72 2gaq n GLU 27 Cb 0.77 -0.56 -0.03 0.00 -0.06 0.00 0.00 31.44 31.56 2gaq n GLU 27 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2gaq n ARG 28 N -1.05 -2.28 -3.28 5.31 1.74 -1.11 -4.85 116.66 111.13 2gaq n ARG 28 Ca 0.00 0.17 -0.25 0.00 -0.77 0.00 0.00 57.85 56.99 2gaq n ARG 28 Cb 0.00 -4.74 -0.07 0.00 -1.02 0.00 0.00 32.46 26.63 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 -1.99 1.45 0.15 0.55 2.85 0.13 -4.90 115.26 113.50 2gaq n ASN 29 Ca 0.03 -2.96 0.09 0.00 -0.11 0.00 0.00 54.58 51.63 2gaq n ASN 29 Cb 0.50 -0.65 0.58 0.00 1.24 0.00 0.00 39.78 41.45 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 2.48 0.99 -0.86 3.44 2.07 -1.89 -0.20 116.25 122.28 2gaq h VAL 30 Ca 0.12 -0.06 0.08 0.00 0.82 0.00 0.00 66.70 67.67 2gaq h VAL 30 Cb 0.80 0.82 -0.07 0.00 -1.52 0.00 0.00 31.29 31.32 2gaq h VAL 30 CO 0.59 0.03 0.51 0.50 0.02 0.00 0.00 177.57 179.23 2gaq h LYS 31 N 0.16 0.87 0.26 1.57 3.11 -1.90 -1.68 116.57 118.96 2gaq h LYS 31 Ca 0.08 -0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 57.86 2gaq h LYS 31 Cb 0.12 -0.20 0.00 0.00 -1.00 0.00 0.00 32.23 31.16 2gaq h LYS 31 CO -0.01 0.57 -0.13 0.78 -2.81 0.00 0.00 179.45 177.85 2gaq h GLY 32 N 0.89 -0.37 1.81 5.01 0.00 -1.37 -2.78 103.07 106.26 2gaq h GLY 32 Ca 0.40 0.14 0.03 0.00 0.00 0.00 0.00 47.33 47.89 2gaq h GLY 32 CO -0.21 -0.13 0.07 0.00 0.00 0.00 0.00 176.54 176.26 2gaq h MET 33 N -0.52 0.00 0.00 4.80 -0.00 -1.33 0.72 114.93 118.60 2gaq h MET 33 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.66 2gaq h MET 33 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.99 2gaq h MET 33 CO 0.06 0.00 0.00 0.35 -0.00 0.00 0.00 176.91 177.32 2gaq h PHE 34 N 0.00 0.00 0.03 -0.10 3.04 -1.01 0.40 116.94 119.30 2gaq h PHE 34 Ca 0.04 0.00 -0.22 0.00 3.98 0.00 0.00 57.97 61.77 2gaq h PHE 34 Cb 0.19 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.69 2gaq h PHE 34 CO 0.00 0.00 -0.99 1.49 -2.02 0.00 0.00 178.31 176.79 2gaq h GLU 35 N 0.00 0.24 0.04 1.11 4.57 -0.83 0.15 114.58 119.86 2gaq h GLU 35 Ca 0.00 -0.31 -0.35 0.00 -1.18 0.00 0.00 59.36 57.53 2gaq h GLU 35 Cb 0.16 0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.80 2gaq h GLU 35 CO 0.00 1.06 -2.05 1.55 -1.18 0.00 0.00 179.01 178.38 2gaq n VAL 36 N -3.62 1.61 0.56 0.32 3.14 -0.69 -4.02 118.33 115.63 2gaq n VAL 36 Ca -0.05 -0.73 0.12 0.00 -2.96 0.00 0.00 64.34 60.72 2gaq n VAL 36 Cb 0.88 -1.22 0.45 0.00 -1.06 0.00 0.00 33.84 32.89 2gaq n VAL 36 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2gaq n LEU 37 N -3.17 0.58 0.20 6.55 4.77 0.13 -2.46 117.00 123.60 2gaq n LEU 37 Ca -0.29 0.60 -0.08 0.00 -0.03 0.00 0.00 56.01 56.20 2gaq n LEU 37 Cb 1.06 -0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 41.65 2gaq n LEU 37 CO 0.41 -0.32 0.33 -0.08 -1.33 0.00 0.00 177.39 176.40 2gaq h GLU 38 N 0.00 -0.51 -0.13 3.23 4.81 -0.84 -2.15 114.58 118.99 2gaq h GLU 38 Ca 0.00 0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.09 2gaq h GLU 38 Cb 0.51 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 2gaq h GLU 38 CO 0.00 -0.34 -0.64 -1.00 -0.73 0.00 0.00 179.01 176.31 2gaq h PRO 39 N -0.75 0.47 0.00 0.92 0.13 -1.73 -2.36 132.00 128.68 2gaq h PRO 39 Ca -0.05 -0.33 -0.03 0.00 -0.87 0.00 0.00 66.00 64.71 2gaq h PRO 39 Cb 0.40 0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.58 2gaq h PRO 39 CO 0.09 0.95 -0.14 1.37 -0.23 0.00 0.00 178.00 180.04 2gaq h LEU 40 N 0.34 0.00 -0.35 1.56 8.10 -1.63 0.57 115.31 123.90 2gaq h LEU 40 Ca -0.01 0.00 -0.19 0.00 0.11 0.00 0.00 57.88 57.79 2gaq h LEU 40 Cb 1.19 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.40 2gaq h LEU 40 CO 0.11 0.14 -0.79 0.45 -4.11 0.00 0.00 178.44 174.25 2gaq h HIS 41 N 0.00 0.52 0.16 0.17 3.86 -0.88 -2.89 115.15 116.09 2gaq h HIS 41 Ca -0.00 -0.25 -0.32 0.00 -1.16 0.00 0.00 60.37 58.64 2gaq h HIS 41 Cb 0.38 -0.07 0.01 0.00 1.06 0.00 0.00 27.41 28.78 2gaq h HIS 41 CO 0.00 1.02 -1.56 0.00 0.86 0.00 0.00 177.93 178.25 2gaq h ALA 42 N 0.91 0.16 0.00 2.45 0.00 -0.79 -3.23 119.26 118.76 2gaq h ALA 42 Ca -0.04 -1.06 0.00 0.00 0.00 0.00 0.00 54.91 53.81 2gaq h ALA 42 Cb 1.38 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.46 2gaq h ALA 42 CO 0.13 1.02 0.00 -1.33 0.00 0.00 0.00 179.25 179.08 2gaq n MET 43 N -3.54 0.03 -0.02 0.00 2.00 0.19 -1.08 117.12 114.71 2gaq n MET 43 Ca -0.18 0.41 0.09 0.00 0.00 0.00 0.00 57.70 58.01 2gaq n MET 43 Cb 1.06 -1.58 -0.16 0.00 0.00 0.00 0.00 33.22 32.54 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 -1.64 0.65 -0.01 0.03 3.85 -1.09 -4.52 117.12 114.38 2gaq n MET 44 Ca 0.01 -0.17 -0.10 0.00 -1.00 0.00 0.00 57.70 56.44 2gaq n MET 44 Cb 0.09 -1.49 -0.14 0.00 -1.05 0.00 0.00 33.22 30.63 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 0.03 -1.25 3.17 4.22 -1.18 -3.37 114.58 116.19 2gaq h GLU 45 Ca -0.05 -0.05 0.36 0.00 0.08 0.00 0.00 59.36 59.70 2gaq h GLU 45 Cb 1.05 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.25 2gaq h GLU 45 CO 0.00 0.60 0.86 -0.09 -2.18 0.00 0.00 179.01 178.20 2gaq h ARG 46 N 0.01 0.13 0.00 1.92 1.12 -1.33 -3.46 114.38 112.76 2gaq h ARG 46 Ca -0.28 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.58 2gaq h ARG 46 Cb 2.00 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 31.94 2gaq h ARG 46 CO 0.08 0.08 0.00 0.41 -3.11 0.00 0.00 179.97 177.44 2gaq n GLY 47 N -1.65 3.06 3.51 2.80 0.00 -1.26 -5.10 105.19 106.55 2gaq n GLY 47 Ca 0.30 -1.66 -0.30 0.00 0.00 0.00 0.00 46.02 44.36 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 -4.43 -1.35 0.00 1.61 0.04 -1.26 -5.01 135.00 124.60 2gaq s PRO 48 Ca 0.00 0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.27 2gaq s PRO 48 Cb 0.00 -1.55 0.00 0.00 0.04 0.00 0.00 34.50 32.99 2gaq s PRO 48 CO 0.00 -3.86 0.00 0.94 0.04 0.00 0.00 177.00 174.12 2gaq n GLN 49 N -4.92 0.00 0.00 4.56 -0.06 -1.26 -5.04 117.38 110.66 2gaq n GLN 49 Ca 0.10 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.10 2gaq n GLN 49 Cb 0.58 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.76 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 0.00 0.00 0.00 1.69 5.66 -1.26 -4.94 114.28 115.43 2gaq n THR 50 Ca 0.00 0.42 0.00 0.00 -3.05 0.00 0.00 64.05 61.42 2gaq n THR 50 Cb 0.00 -1.33 0.00 0.00 -1.55 0.00 0.00 70.33 67.45 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 0.00 1.09 7.94 -1.26 -5.03 117.00 119.74 2gaq n LEU 51 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2gaq n LEU 51 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2gaq n LEU 51 CO 0.00 0.00 -0.43 0.29 -1.11 0.00 0.00 177.39 176.14 2gaq n LYS 52 N 0.00 0.00 -1.19 1.96 4.76 -1.26 -4.80 118.16 117.63 2gaq n LYS 52 Ca 0.00 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.26 2gaq n LYS 52 Cb 0.00 -0.83 -0.13 0.00 -1.84 0.00 0.00 35.03 32.24 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 -2.48 2.15 -2.71 1.97 1.02 -1.26 -4.11 120.64 115.21 2gaq n GLU 53 Ca 0.00 -1.52 -0.08 0.00 -0.02 0.00 0.00 57.16 55.55 2gaq n GLU 53 Cb 0.43 -2.05 0.10 0.00 -0.02 0.00 0.00 31.44 29.91 2gaq n GLU 53 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2gaq n THR 54 N 1.86 0.12 -0.12 2.62 -1.04 -1.26 -4.65 114.28 111.80 2gaq n THR 54 Ca 0.45 -1.75 -0.16 0.00 -2.04 0.00 0.00 64.05 60.55 2gaq n THR 54 Cb 0.77 0.99 -0.13 0.00 -1.82 0.00 0.00 70.33 70.15 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 -0.41 1.63 0.07 8.00 7.64 -1.26 -4.05 113.62 125.24 2gaq n SER 55 Ca 0.00 -0.11 -0.21 0.00 1.01 0.00 0.00 58.87 59.56 2gaq n SER 55 Cb 0.83 -0.14 -0.15 0.00 -1.01 0.00 0.00 64.21 63.74 2gaq n SER 55 CO 0.00 0.00 0.00 2.19 -3.01 0.00 0.00 175.04 174.22 2gaq h PHE 56 N 0.00 0.64 0.00 1.43 -0.00 -1.91 -3.19 116.94 113.91 2gaq h PHE 56 Ca -0.57 -0.47 0.00 0.00 -0.00 0.00 0.00 57.97 56.93 2gaq h PHE 56 Cb 1.96 -0.03 0.00 0.00 -0.00 0.00 0.00 35.95 37.88 2gaq h PHE 56 CO 0.02 1.37 0.00 -1.71 -0.00 0.00 0.00 178.31 178.00 2gaq n ASN 57 N -4.03 0.10 -0.06 -0.68 5.15 -1.26 0.24 115.26 114.72 2gaq n ASN 57 Ca -0.15 0.53 -0.07 0.00 -0.60 0.00 0.00 54.58 54.28 2gaq n ASN 57 Cb 0.89 -0.55 -0.07 0.00 -0.53 0.00 0.00 39.78 39.53 2gaq n ASN 57 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 2gaq h GLN 58 N 0.00 -0.01 0.00 1.20 -0.00 -1.69 -3.42 115.11 111.19 2gaq h GLN 58 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.58 2gaq h GLN 58 Cb 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.71 2gaq h GLN 58 CO 0.00 0.50 -1.25 0.00 0.00 0.00 0.00 178.83 178.08 2gaq n ALA 59 N -2.69 2.29 -0.40 3.38 0.00 -1.07 -4.75 120.51 117.28 2gaq n ALA 59 Ca -0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 53.44 53.19 2gaq n ALA 59 Cb 0.25 0.42 -0.02 0.00 0.00 0.00 0.00 19.45 20.09 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 -2.91 0.00 0.49 0.00 4.01 0.14 -4.34 117.16 114.55 2gaq n TYR 60 Ca -0.08 -0.73 0.10 0.00 -0.16 0.00 0.00 57.90 57.02 2gaq n TYR 60 Cb 0.57 -0.57 0.41 0.00 -0.31 0.00 0.00 39.34 39.44 2gaq n TYR 60 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2gaq n GLY 61 N 1.87 -1.18 0.04 2.72 0.00 -1.04 -2.11 105.19 105.49 2gaq n GLY 61 Ca 0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.84 0.41 0.00 1.61 5.12 -1.26 -4.23 116.66 116.47 2gaq n ARG 62 Ca 0.03 -0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 2gaq n ARG 62 Cb 0.22 -1.61 0.00 0.00 -1.16 0.00 0.00 32.46 29.90 2gaq n ARG 62 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2gaq n ASP 63 N -2.14 0.00 -0.00 0.55 9.92 -0.90 -3.95 116.55 120.04 2gaq n ASP 63 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2gaq n ASP 63 Cb 0.48 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.96 2gaq n ASP 63 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2gaq n LEU 64 N 0.00 -0.00 -0.23 0.64 4.32 -1.26 -0.34 117.00 120.13 2gaq n LEU 64 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 56.01 55.97 2gaq n LEU 64 Cb 0.00 -0.00 0.03 0.00 -1.62 0.00 0.00 43.42 41.83 2gaq n LEU 64 CO 0.00 -0.00 0.65 -0.03 -1.22 0.00 0.00 177.39 176.79 2gaq h MET 65 N 0.00 -0.10 0.02 3.23 4.05 -1.81 0.34 114.93 120.66 2gaq h MET 65 Ca 0.00 0.01 -0.27 0.00 -0.28 0.00 0.00 59.70 59.16 2gaq h MET 65 Cb 0.00 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 30.79 2gaq h MET 65 CO -0.00 -0.06 -1.45 0.93 0.23 0.00 0.00 176.91 176.56 2gaq h GLU 66 N -0.10 0.03 0.00 0.39 5.08 -0.83 -0.36 114.58 118.79 2gaq h GLU 66 Ca 0.28 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2gaq h GLU 66 Cb 0.55 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2gaq h GLU 66 CO -0.72 0.76 0.08 0.00 -1.00 0.00 0.00 179.01 178.12 2gaq h ALA 67 N 0.92 1.07 0.00 3.43 0.00 0.72 -2.69 119.26 122.72 2gaq h ALA 67 Ca -0.19 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.50 2gaq h ALA 67 Cb 1.93 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.68 2gaq h ALA 67 CO 0.11 -0.07 -1.83 0.94 0.00 0.00 0.00 179.25 178.39 2gaq n GLN 68 N -3.00 0.36 -0.37 0.00 0.00 0.11 -4.73 117.38 109.74 2gaq n GLN 68 Ca -0.03 0.09 0.34 0.00 -0.00 0.00 0.00 57.00 57.41 2gaq n GLN 68 Cb 0.14 -1.26 0.69 0.00 0.00 0.00 0.00 30.24 29.81 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 -0.06 0.09 -2.18 3.69 4.81 -0.71 0.12 114.58 120.34 2gaq h GLU 69 Ca -0.33 -0.01 -0.24 0.00 -0.13 0.00 0.00 59.36 58.65 2gaq h GLU 69 Cb 1.48 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.79 2gaq h GLU 69 CO -0.07 0.06 0.20 0.91 -0.73 0.00 0.00 179.01 179.38 2gaq n TRP 70 N -4.31 0.31 -0.06 0.92 8.01 -1.18 -4.44 117.44 116.69 2gaq n TRP 70 Ca 0.28 -1.64 -0.04 0.00 -1.31 0.00 0.00 57.50 54.79 2gaq n TRP 70 Cb 1.26 -1.66 -0.02 0.00 -2.01 0.00 0.00 31.31 28.87 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 -1.00 0.24 0.39 0.00 3.08 -1.85 0.68 114.38 115.92 2gaq h ARG 72 Ca -0.02 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 2gaq h ARG 72 Cb 0.33 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.33 2gaq h ARG 72 CO -0.01 0.16 -0.19 0.87 -1.07 0.00 0.00 179.97 179.73 2gaq h LYS 73 N 0.25 -0.50 0.00 0.04 1.79 -1.88 -0.51 116.57 115.76 2gaq h LYS 73 Ca 0.44 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.94 2gaq h LYS 73 Cb 1.32 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 32.08 2gaq h LYS 73 CO -0.11 -0.34 0.02 -0.92 -1.08 0.00 0.00 179.45 177.03 2gaq h TYR 74 N -0.85 0.00 0.00 -1.35 3.20 0.13 0.32 116.97 118.42 2gaq h TYR 74 Ca -0.05 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.82 2gaq h TYR 74 Cb 0.40 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.67 2gaq h TYR 74 CO 0.04 0.00 -0.62 -0.12 -1.64 0.00 0.00 178.16 175.81 2gaq n MET 75 N -2.29 0.47 -0.03 1.82 1.56 0.22 -3.52 117.12 115.35 2gaq n MET 75 Ca -0.01 0.45 -0.21 0.00 -0.27 0.00 0.00 57.70 57.65 2gaq n MET 75 Cb 0.06 -1.62 -0.13 0.00 2.15 0.00 0.00 33.22 33.68 2gaq n MET 75 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 2gaq h LYS 76 N -0.99 0.17 -0.18 2.12 3.64 -1.00 -3.35 116.57 116.98 2gaq h LYS 76 Ca 0.00 -0.28 -0.21 0.00 -1.27 0.00 0.00 60.65 58.89 2gaq h LYS 76 Cb 0.62 0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.55 2gaq h LYS 76 CO 0.00 1.14 -0.72 1.03 -2.27 0.00 0.00 179.45 178.63 2gaq h SER 77 N -0.48 0.92 -2.32 4.20 0.87 -0.61 -3.47 113.55 112.66 2gaq h SER 77 Ca -0.31 -0.57 -0.22 0.00 -1.23 0.00 0.00 61.79 59.46 2gaq h SER 77 Cb 1.63 -0.27 -0.06 0.00 -0.44 0.00 0.00 62.40 63.26 2gaq h SER 77 CO -0.01 1.37 -0.22 0.61 -0.53 0.00 0.00 176.83 178.04 2gaq n GLY 78 N 0.60 0.52 3.64 5.77 0.00 0.76 -4.85 105.19 111.64 2gaq n GLY 78 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 2gaq n GLY 78 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2gaq s ASN 79 N -1.95 6.79 0.49 1.61 0.01 -1.26 -4.87 114.94 115.77 2gaq s ASN 79 Ca 0.00 1.41 0.24 0.00 -0.71 0.00 0.00 52.86 53.80 2gaq s ASN 79 Cb 0.00 -2.54 1.30 0.00 0.41 0.00 0.00 41.25 40.42 2gaq s ASN 79 CO 0.00 -0.94 1.70 0.58 -1.51 0.00 0.00 177.10 176.92 2gaq h VAL 80 N 5.76 0.00 -0.29 1.60 2.07 -1.98 0.79 116.25 124.21 2gaq h VAL 80 Ca -0.26 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.34 2gaq h VAL 80 Cb 1.10 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 2gaq h VAL 80 CO 1.01 0.00 0.35 0.11 0.02 0.00 0.00 177.57 179.06 2gaq h LYS 81 N 0.00 0.00 0.17 1.57 1.79 -1.99 0.60 116.57 118.71 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 0.49 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.15 2gaq h LYS 81 CO 0.00 0.00 -1.44 -0.44 -1.08 0.00 0.00 179.45 176.49 2gaq h ASP 82 N 0.00 0.57 -0.54 0.86 3.32 -1.23 -3.39 116.42 116.01 2gaq h ASP 82 Ca 0.14 -0.91 -0.12 0.00 0.02 0.00 0.00 57.03 56.16 2gaq h ASP 82 Cb 0.84 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 2gaq h ASP 82 CO -0.00 1.66 -0.12 -0.07 -1.72 0.00 0.00 179.24 178.99 2gaq h LEU 83 N -0.09 1.03 -1.70 1.55 -0.00 -0.80 0.11 115.31 115.41 2gaq h LEU 83 Ca -0.28 -0.36 0.26 0.00 -0.00 0.00 0.00 57.88 57.51 2gaq h LEU 83 Cb 1.93 -0.28 -0.06 0.00 -0.00 0.00 0.00 40.66 42.25 2gaq h LEU 83 CO 0.16 1.15 0.68 0.00 -0.00 0.00 0.00 178.44 180.42 2gaq h THR 84 N 0.90 0.55 0.09 0.22 1.03 -0.16 0.24 112.91 115.78 2gaq h THR 84 Ca 0.14 -0.07 -0.34 0.00 -0.01 0.00 0.00 66.41 66.12 2gaq h THR 84 Cb 0.69 0.32 -0.02 0.00 -1.07 0.00 0.00 68.15 68.06 2gaq h THR 84 CO 0.05 0.04 -1.88 1.56 -0.01 0.00 0.00 175.52 175.28 2gaq h GLN 85 N 0.21 0.20 -0.70 0.00 7.50 -1.63 -3.27 115.11 117.42 2gaq h GLN 85 Ca 0.51 -0.34 0.14 0.00 0.50 0.00 0.00 58.65 59.47 2gaq h GLN 85 Cb 1.63 0.13 -0.04 0.00 0.05 0.00 0.00 27.48 29.24 2gaq h GLN 85 CO -0.13 1.01 0.47 0.00 -1.50 0.00 0.00 178.83 178.69 2gaq h ALA 86 N 0.36 2.16 -0.31 3.87 0.00 0.18 0.20 119.26 125.72 2gaq h ALA 86 Ca -0.37 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 2gaq h ALA 86 Cb 2.03 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.77 2gaq h ALA 86 CO 0.09 -0.35 -0.12 -1.49 0.00 0.00 0.00 179.25 177.38 2gaq h TRP 87 N 0.35 0.72 -0.37 0.00 -0.00 -0.80 0.43 115.95 116.27 2gaq h TRP 87 Ca 0.34 -0.17 -0.02 0.00 -0.00 0.00 0.00 58.89 59.04 2gaq h TRP 87 Cb 0.83 -0.17 -0.02 0.00 -0.00 0.00 0.00 29.16 29.81 2gaq h TRP 87 CO -0.00 0.84 0.14 0.22 -0.00 0.00 0.00 178.44 179.64 2gaq h ASP 88 N 0.39 0.47 0.03 -3.49 1.82 -1.05 0.34 116.42 114.93 2gaq h ASP 88 Ca 0.07 -0.05 -0.00 0.00 -0.39 0.00 0.00 57.03 56.66 2gaq h ASP 88 Cb 0.64 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.53 2gaq h ASP 88 CO 0.04 0.44 -0.01 -0.07 -1.61 0.00 0.00 179.24 178.02 2gaq h LEU 89 N 0.52 -0.03 -1.76 2.28 3.38 -0.00 0.23 115.31 119.92 2gaq h LEU 89 Ca 0.13 -0.63 0.05 0.00 0.09 0.00 0.00 57.88 57.52 2gaq h LEU 89 Cb 0.12 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2gaq h LEU 89 CO -0.01 0.74 0.25 1.88 0.09 0.00 0.00 178.44 181.39 2gaq h TYR 90 N -0.94 0.30 0.00 1.13 0.05 0.14 0.31 116.97 117.97 2gaq h TYR 90 Ca -0.00 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 2gaq h TYR 90 Cb 0.66 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 38.29 2gaq h TYR 90 CO 0.17 0.17 -0.29 -0.92 -1.05 0.00 0.00 178.16 176.24 2gaq h TYR 91 N 0.31 0.00 -0.43 4.88 3.20 -0.37 0.30 116.97 124.85 2gaq h TYR 91 Ca 0.16 0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.11 2gaq h TYR 91 Cb 0.26 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 2gaq h TYR 91 CO -0.00 0.77 0.29 1.25 -1.64 0.00 0.00 178.16 178.83 2gaq h HIS 92 N -1.00 0.27 0.19 -3.82 2.76 -0.37 -0.93 115.15 112.24 2gaq h HIS 92 Ca -0.07 0.01 -0.32 0.00 -2.20 0.00 0.00 60.37 57.79 2gaq h HIS 92 Cb 0.78 -0.09 0.02 0.00 1.55 0.00 0.00 27.41 29.66 2gaq h HIS 92 CO 0.13 0.14 -1.52 -0.24 -1.30 0.00 0.00 177.93 175.15 2gaq h VAL 93 N 0.26 1.21 -0.98 5.26 3.04 -0.47 -3.17 116.25 121.42 2gaq h VAL 93 Ca 0.19 -2.74 0.28 0.00 -1.01 0.00 0.00 66.70 63.42 2gaq h VAL 93 Cb 0.43 2.90 -0.04 0.00 -2.01 0.00 0.00 31.29 32.57 2gaq h VAL 93 CO -0.04 0.84 0.76 0.15 -1.01 0.00 0.00 177.57 178.26 2gaq h PHE 94 N 0.11 0.00 0.11 3.17 3.04 1.00 0.60 116.94 124.97 2gaq h PHE 94 Ca -0.25 0.00 -0.35 0.00 3.98 0.00 0.00 57.97 61.34 2gaq h PHE 94 Cb 2.09 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 40.58 2gaq h PHE 94 CO 0.10 0.00 -1.94 0.07 -2.02 0.00 0.00 178.31 174.52 2gaq h ARG 95 N 0.00 0.24 0.25 1.11 0.11 -1.60 -3.35 114.38 111.14 2gaq h ARG 95 Ca 0.46 -0.40 -0.01 0.00 0.10 0.00 0.00 59.98 60.13 2gaq h ARG 95 Cb 1.97 0.15 0.00 0.00 1.11 0.00 0.00 29.97 33.20 2gaq h ARG 95 CO -0.00 1.12 -0.12 0.00 0.10 0.00 0.00 179.97 181.06 2gaq h ARG 96 N 0.06 -0.33 0.00 0.08 2.47 -0.52 -3.17 114.38 112.97 2gaq h ARG 96 Ca -0.40 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.34 2gaq h ARG 96 Cb 2.04 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 30.43 2gaq h ARG 96 CO 0.09 -0.03 0.00 0.44 0.56 0.00 0.00 179.97 181.03 2gaq n ILE 97 N -5.00 0.89 -0.92 2.04 -5.35 0.17 -2.94 119.36 108.25 2gaq n ILE 97 Ca -0.07 0.22 -0.11 0.00 -0.27 0.00 0.00 62.75 62.52 2gaq n ILE 97 Cb 0.23 -1.00 0.24 0.00 -1.74 0.00 0.00 39.64 37.37 2gaq n ILE 97 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2gaq n SER 98 N -1.40 4.33 -2.69 7.28 3.41 -1.20 -4.33 113.62 119.02 2gaq n SER 98 Ca 0.05 -3.23 -0.06 0.00 -0.26 0.00 0.00 58.87 55.37 2gaq n SER 98 Cb 0.13 -0.76 0.11 0.00 -0.26 0.00 0.00 64.21 63.43 2gaq n SER 98 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2gaq n LYS 99 N -0.39 1.24 0.00 4.33 2.85 -1.15 -4.97 118.16 120.07 2gaq n LYS 99 Ca 0.43 -1.88 0.00 0.00 -1.05 0.00 0.00 58.31 55.82 2gaq n LYS 99 Cb 1.40 -0.10 0.00 0.00 -0.65 0.00 0.00 35.03 35.68 2gaq n LYS 99 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29