#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 -2.18 -0.06 -4.62 -0.00 -1.26 -4.94 117.00 103.94 2gaq n LEU 2 Ca 0.00 -0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 55.94 2gaq n LEU 2 Cb 0.00 -1.24 -0.08 0.00 -0.00 0.00 0.00 43.42 42.10 2gaq n LEU 2 CO 0.00 -0.32 -0.88 2.30 -0.00 0.00 0.00 177.39 178.49 2gaq n ILE 3 N 0.23 0.74 0.00 1.47 -5.35 -1.26 -4.88 119.36 110.31 2gaq n ILE 3 Ca -0.05 -0.39 0.00 0.00 -0.27 0.00 0.00 62.75 62.04 2gaq n ILE 3 Cb 0.50 -0.82 0.00 0.00 -1.74 0.00 0.00 39.64 37.58 2gaq n ILE 3 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 2gaq n ARG 4 N -2.58 0.00 -0.05 6.28 1.85 -1.26 -4.95 116.66 115.96 2gaq n ARG 4 Ca -0.20 0.00 -0.16 0.00 -1.00 0.00 0.00 57.85 56.49 2gaq n ARG 4 Cb 0.81 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 32.16 2gaq n ARG 4 CO 0.00 0.00 0.00 -0.39 -0.01 0.00 0.00 177.63 177.23 2gaq h VAL 5 N 0.00 1.28 -0.70 8.89 -1.51 -2.01 -3.47 116.25 118.73 2gaq h VAL 5 Ca 0.00 -1.85 -0.27 0.00 -1.23 0.00 0.00 66.70 63.35 2gaq h VAL 5 Cb 0.00 1.84 -0.10 0.00 -2.13 0.00 0.00 31.29 30.89 2gaq h VAL 5 CO 0.00 0.59 -0.24 0.00 -1.23 0.00 0.00 177.57 176.69 2gaq n ALA 6 N -2.59 -0.20 -0.08 5.19 0.00 -1.26 -4.75 120.51 116.82 2gaq n ALA 6 Ca -0.06 0.21 -0.15 0.00 0.00 0.00 0.00 53.44 53.44 2gaq n ALA 6 Cb 0.69 -1.77 -0.05 0.00 0.00 0.00 0.00 19.45 18.32 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 -2.15 1.31 -0.95 0.00 0.00 -1.26 -4.86 119.36 111.44 2gaq n ILE 7 Ca -0.13 -0.05 0.13 0.00 0.00 0.00 0.00 62.75 62.69 2gaq n ILE 7 Cb 0.58 -1.98 -0.03 0.00 0.00 0.00 0.00 39.64 38.21 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 -4.10 -0.47 -0.08 9.51 7.99 -1.26 -4.45 117.00 124.13 2gaq n LEU 8 Ca -0.27 1.04 -0.12 0.00 -0.01 0.00 0.00 56.01 56.65 2gaq n LEU 8 Cb 0.60 -3.07 -0.08 0.00 -0.11 0.00 0.00 43.42 40.77 2gaq n LEU 8 CO 0.09 -2.50 -1.05 0.79 -1.51 0.00 0.00 177.39 173.22 2gaq n TRP 9 N -2.98 0.00 -0.23 -1.77 8.01 -1.26 -4.46 117.44 114.75 2gaq n TRP 9 Ca 0.00 0.00 0.26 0.00 -1.31 0.00 0.00 57.50 56.45 2gaq n TRP 9 Cb 0.61 -0.64 0.64 0.00 -2.01 0.00 0.00 31.31 29.91 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 -0.03 0.25 0.09 -5.99 -0.00 -1.92 -0.05 115.15 107.50 2gaq h HIS 10 Ca -0.37 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.00 2gaq h HIS 10 Cb 1.56 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 28.90 2gaq h HIS 10 CO 0.02 0.05 -0.04 0.93 -0.00 0.00 0.00 177.93 178.88 2gaq h GLU 11 N 0.17 -0.11 0.00 5.26 4.39 -1.79 -0.91 114.58 121.59 2gaq h GLU 11 Ca 0.48 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 60.15 2gaq h GLU 11 Cb 1.58 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 30.25 2gaq h GLU 11 CO -0.10 0.17 -0.15 0.00 -1.16 0.00 0.00 179.01 177.77 2gaq h MET 12 N -0.39 0.00 -0.24 2.33 -0.00 -1.30 -2.10 114.93 113.23 2gaq h MET 12 Ca -0.01 0.00 -0.14 0.00 -0.00 0.00 0.00 59.70 59.55 2gaq h MET 12 Cb 0.33 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.92 2gaq h MET 12 CO 0.02 0.15 -0.42 -1.49 -0.00 0.00 0.00 176.91 175.17 2gaq h TRP 13 N 0.00 0.70 0.40 -0.10 4.06 -0.24 0.59 115.95 121.35 2gaq h TRP 13 Ca -0.00 -0.21 -0.01 0.00 2.06 0.00 0.00 58.89 60.73 2gaq h TRP 13 Cb 0.48 -0.15 -0.03 0.00 -1.00 0.00 0.00 29.16 28.47 2gaq h TRP 13 CO 0.00 0.91 -0.50 0.45 -3.56 0.00 0.00 178.44 175.74 2gaq h HIS 14 N 0.48 -1.38 0.20 0.49 3.86 -0.47 0.18 115.15 118.51 2gaq h HIS 14 Ca 0.04 0.02 -0.31 0.00 -1.16 0.00 0.00 60.37 58.95 2gaq h HIS 14 Cb 0.93 0.55 0.03 0.00 1.06 0.00 0.00 27.41 29.99 2gaq h HIS 14 CO 0.04 -0.64 -1.34 0.93 0.86 0.00 0.00 177.93 177.77 2gaq h GLU 15 N -0.92 0.55 -0.00 2.45 4.39 -1.66 -1.43 114.58 117.96 2gaq h GLU 15 Ca -0.04 -0.87 0.00 0.00 0.34 0.00 0.00 59.36 58.79 2gaq h GLU 15 Cb 0.83 0.31 -0.00 0.00 -0.10 0.00 0.00 28.75 29.79 2gaq h GLU 15 CO -0.12 1.41 0.00 0.78 -1.16 0.00 0.00 179.01 179.92 2gaq h GLY 16 N 0.15 0.00 0.14 -3.84 0.00 0.28 0.64 103.07 100.43 2gaq h GLY 16 Ca -0.22 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.91 2gaq h GLY 16 CO 0.25 0.00 -2.09 1.04 0.00 0.00 0.00 176.54 175.74 2gaq n LEU 17 N -3.15 0.12 -0.03 3.11 4.77 0.63 -3.89 117.00 118.56 2gaq n LEU 17 Ca -0.03 0.05 -0.15 0.00 -0.03 0.00 0.00 56.01 55.86 2gaq n LEU 17 Cb 0.07 0.24 -0.11 0.00 -2.33 0.00 0.00 43.42 41.29 2gaq n LEU 17 CO 0.21 0.25 0.44 -0.08 -1.33 0.00 0.00 177.39 176.88 2gaq h GLU 18 N 0.00 0.19 0.00 3.23 4.81 0.27 0.89 114.58 123.97 2gaq h GLU 18 Ca -0.27 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2gaq h GLU 18 Cb 1.65 0.04 0.00 0.00 0.63 0.00 0.00 28.75 31.07 2gaq h GLU 18 CO 0.02 0.86 0.00 1.49 -0.73 0.00 0.00 179.01 180.65 2gaq h GLU 19 N -0.42 0.00 0.00 1.92 4.57 -0.07 0.70 114.58 121.28 2gaq h GLU 19 Ca -0.02 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.03 2gaq h GLU 19 Cb 0.92 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.49 2gaq h GLU 19 CO 0.04 0.00 -1.37 0.00 -1.18 0.00 0.00 179.01 176.50 2gaq n ALA 20 N -1.91 0.92 0.27 2.92 0.00 -1.10 -3.92 120.51 117.69 2gaq n ALA 20 Ca -0.01 -0.85 0.17 0.00 0.00 0.00 0.00 53.44 52.75 2gaq n ALA 20 Cb 0.13 0.04 0.92 0.00 0.00 0.00 0.00 19.45 20.53 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 -1.00 0.00 -0.22 0.00 0.02 0.86 0.18 113.55 113.39 2gaq h SER 21 Ca -0.20 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.57 2gaq h SER 21 Cb 1.13 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.67 2gaq h SER 21 CO -0.12 0.00 -0.54 -0.09 -1.14 0.00 0.00 176.83 174.94 2gaq h ARG 22 N 0.00 0.81 0.00 3.45 2.43 -1.03 0.67 114.38 120.71 2gaq h ARG 22 Ca 0.03 -0.51 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 2gaq h ARG 22 Cb 0.21 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 2gaq h ARG 22 CO -0.00 1.14 0.00 1.28 -1.51 0.00 0.00 179.97 180.88 2gaq n LEU 23 N -4.00 0.00 -0.06 3.80 4.77 0.61 -2.32 117.00 119.80 2gaq n LEU 23 Ca -0.04 0.46 -0.11 0.00 -0.03 0.00 0.00 56.01 56.29 2gaq n LEU 23 Cb 0.62 -0.46 -0.05 0.00 -2.33 0.00 0.00 43.42 41.20 2gaq n LEU 23 CO 0.50 -0.32 -0.90 0.00 -1.33 0.00 0.00 177.39 175.34 2gaq n TYR 24 N -1.46 0.00 -0.24 -1.77 4.19 -1.09 -0.60 117.16 116.19 2gaq n TYR 24 Ca 0.03 0.00 0.04 0.00 3.31 0.00 0.00 57.90 61.28 2gaq n TYR 24 Cb 0.10 -0.44 0.16 0.00 0.49 0.00 0.00 39.34 39.65 2gaq n TYR 24 CO 0.00 0.00 0.00 0.35 0.91 0.00 0.00 176.86 178.12 2gaq h PHE 25 N -0.25 0.28 -0.20 2.98 3.57 0.76 -3.25 116.94 120.82 2gaq h PHE 25 Ca -0.29 0.04 -0.21 0.00 3.53 0.00 0.00 57.97 61.04 2gaq h PHE 25 Cb 1.32 -0.01 -0.24 0.00 2.79 0.00 0.00 35.95 39.80 2gaq h PHE 25 CO -0.02 -0.06 -0.61 0.41 -2.23 0.00 0.00 178.31 175.81 2gaq n GLY 26 N -1.34 1.85 0.00 2.40 0.00 -1.11 -4.92 105.19 102.07 2gaq n GLY 26 Ca 0.13 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.04 0.39 -2.33 1.61 4.71 -1.23 -4.98 120.64 117.77 2gaq n GLU 27 Ca -0.07 0.00 -0.19 0.00 -0.01 0.00 0.00 57.16 56.89 2gaq n GLU 27 Cb 0.85 -0.67 -0.01 0.00 -1.01 0.00 0.00 31.44 30.59 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 -1.61 -1.52 -3.33 3.49 1.74 -1.09 -4.93 116.66 109.40 2gaq n ARG 28 Ca 0.00 0.94 -0.26 0.00 -0.77 0.00 0.00 57.85 57.76 2gaq n ARG 28 Cb 0.17 -5.50 -0.07 0.00 -1.02 0.00 0.00 32.46 26.04 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 -1.64 3.06 0.30 0.55 2.85 0.23 -4.87 115.26 115.73 2gaq n ASN 29 Ca -0.23 -3.31 0.17 0.00 -0.11 0.00 0.00 54.58 51.10 2gaq n ASN 29 Cb 0.67 -0.65 0.97 0.00 1.24 0.00 0.00 39.78 42.00 2gaq n ASN 29 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 2gaq h VAL 30 N 2.87 0.42 -0.72 3.44 -1.51 -1.92 0.31 116.25 119.14 2gaq h VAL 30 Ca 0.17 0.00 0.03 0.00 -1.23 0.00 0.00 66.70 65.66 2gaq h VAL 30 Cb 0.70 0.98 -0.04 0.00 -2.13 0.00 0.00 31.29 30.80 2gaq h VAL 30 CO 0.76 0.00 0.48 0.07 -1.23 0.00 0.00 177.57 177.64 2gaq h LYS 31 N 0.00 0.88 0.08 5.19 5.09 -1.90 0.14 116.57 126.04 2gaq h LYS 31 Ca 0.01 -0.05 -0.00 0.00 0.09 0.00 0.00 60.65 60.69 2gaq h LYS 31 Cb 0.05 -0.20 0.00 0.00 0.10 0.00 0.00 32.23 32.19 2gaq h LYS 31 CO -0.00 0.58 -0.04 0.78 -2.09 0.00 0.00 179.45 178.68 2gaq h GLY 32 N 0.90 -0.11 0.92 0.07 0.00 -1.29 -3.13 103.07 100.43 2gaq h GLY 32 Ca 0.28 0.04 0.12 0.00 0.00 0.00 0.00 47.33 47.78 2gaq h GLY 32 CO -0.08 -0.04 0.42 0.00 0.00 0.00 0.00 176.54 176.85 2gaq h MET 33 N -0.80 0.32 0.00 4.80 -0.00 -1.32 0.36 114.93 118.29 2gaq h MET 33 Ca -0.01 -0.02 -0.03 0.00 -0.00 0.00 0.00 59.70 59.64 2gaq h MET 33 Cb 0.60 -0.07 -0.00 0.00 -0.00 0.00 0.00 31.60 32.12 2gaq h MET 33 CO 0.02 0.21 -0.16 0.35 -0.00 0.00 0.00 176.91 177.33 2gaq h PHE 34 N 0.33 0.00 0.14 -0.10 3.04 -0.76 0.50 116.94 120.09 2gaq h PHE 34 Ca 0.30 0.00 -0.31 0.00 3.98 0.00 0.00 57.97 61.94 2gaq h PHE 34 Cb 0.72 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.23 2gaq h PHE 34 CO -0.00 0.16 -1.51 1.49 -2.02 0.00 0.00 178.31 176.42 2gaq h GLU 35 N 0.00 0.30 0.00 1.11 4.81 -0.87 -0.53 114.58 119.40 2gaq h GLU 35 Ca -0.00 -0.52 -0.07 0.00 -0.13 0.00 0.00 59.36 58.64 2gaq h GLU 35 Cb 0.56 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 2gaq h GLU 35 CO 0.02 1.19 -0.58 -0.24 -0.73 0.00 0.00 179.01 178.67 2gaq h VAL 36 N 0.08 0.45 0.00 0.32 3.04 -1.30 -3.24 116.25 115.61 2gaq h VAL 36 Ca -0.24 -1.69 0.00 0.00 -1.01 0.00 0.00 66.70 63.76 2gaq h VAL 36 Cb 2.04 2.12 0.00 0.00 -2.01 0.00 0.00 31.29 33.44 2gaq h VAL 36 CO 0.18 0.26 -0.97 -0.07 -1.01 0.00 0.00 177.57 175.96 2gaq h LEU 37 N 0.00 0.00 -0.47 3.16 3.38 -1.02 -3.35 115.31 117.01 2gaq h LEU 37 Ca -0.03 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.03 2gaq h LEU 37 Cb 1.26 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.92 2gaq h LEU 37 CO 0.04 0.00 -0.16 -0.33 0.09 0.00 0.00 178.44 178.08 2gaq h GLU 38 N 0.00 -0.05 0.00 1.13 5.08 -1.11 0.12 114.58 119.75 2gaq h GLU 38 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 2gaq h GLU 38 Cb 0.99 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 2gaq h GLU 38 CO 0.00 -0.04 -0.31 -1.00 -1.00 0.00 0.00 179.01 176.66 2gaq h PRO 39 N -0.06 0.00 0.00 2.33 0.13 -1.72 -2.96 132.00 129.72 2gaq h PRO 39 Ca 0.23 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.32 2gaq h PRO 39 Cb 0.40 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.53 2gaq h PRO 39 CO -0.51 0.31 -0.14 -0.07 -0.23 0.00 0.00 178.00 177.36 2gaq h LEU 40 N 0.00 0.00 0.18 1.56 3.38 -0.92 0.55 115.31 120.06 2gaq h LEU 40 Ca -0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 2gaq h LEU 40 Cb 0.80 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.57 2gaq h LEU 40 CO 0.04 0.14 -1.52 -0.74 0.09 0.00 0.00 178.44 176.45 2gaq h HIS 41 N 0.00 0.71 -0.58 1.13 2.76 -1.20 -3.21 115.15 114.76 2gaq h HIS 41 Ca -0.00 -0.51 -0.10 0.00 -2.20 0.00 0.00 60.37 57.56 2gaq h HIS 41 Cb 0.38 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.29 2gaq h HIS 41 CO 0.00 1.59 -0.02 0.00 -1.30 0.00 0.00 177.93 178.20 2gaq h ALA 42 N 0.08 0.86 0.00 5.26 0.00 -1.13 -0.45 119.26 123.88 2gaq h ALA 42 Ca -0.30 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2gaq h ALA 42 Cb 2.00 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.57 2gaq h ALA 42 CO 0.17 0.66 0.00 -1.33 0.00 0.00 0.00 179.25 178.75 2gaq n MET 43 N -4.17 0.15 0.00 0.00 2.00 0.18 -0.78 117.12 114.50 2gaq n MET 43 Ca 0.03 0.19 0.02 0.00 0.00 0.00 0.00 57.70 57.93 2gaq n MET 43 Cb 0.35 -1.50 -0.01 0.00 0.00 0.00 0.00 33.22 32.06 2gaq n MET 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 175.97 175.85 2gaq n MET 44 N -1.30 4.41 -0.10 0.03 0.00 -0.60 -4.78 117.12 114.79 2gaq n MET 44 Ca 0.05 -0.17 -0.12 0.00 0.00 0.00 0.00 57.70 57.46 2gaq n MET 44 Cb 0.09 -0.76 -0.11 0.00 0.00 0.00 0.00 33.22 32.44 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 -0.79 0.84 -0.40 2.12 4.07 -0.28 -4.47 120.64 121.74 2gaq n GLU 45 Ca 0.01 0.07 0.32 0.00 -0.06 0.00 0.00 57.16 57.50 2gaq n GLU 45 Cb 0.07 -1.43 0.60 0.00 -0.06 0.00 0.00 31.44 30.61 2gaq n GLU 45 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 2gaq h ARG 46 N 0.00 0.18 0.00 5.31 1.12 -1.22 -3.46 114.38 116.30 2gaq h ARG 46 Ca -0.47 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.39 2gaq h ARG 46 Cb 1.88 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 31.80 2gaq h ARG 46 CO -0.03 0.12 0.00 0.41 -3.11 0.00 0.00 179.97 177.35 2gaq n GLY 47 N -1.48 3.92 3.77 2.80 0.00 -1.26 -5.10 105.19 107.84 2gaq n GLY 47 Ca 0.34 -1.52 -0.37 0.00 0.00 0.00 0.00 46.02 44.46 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 -4.09 3.69 0.00 1.61 0.04 -1.26 -4.99 135.00 130.00 2gaq s PRO 48 Ca 0.00 1.87 0.00 0.00 0.04 0.00 0.00 61.00 62.91 2gaq s PRO 48 Cb 0.00 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 32.12 2gaq s PRO 48 CO 0.00 -0.63 0.00 0.94 0.04 0.00 0.00 177.00 177.35 2gaq n GLN 49 N -0.51 0.00 0.00 4.56 -0.06 -1.26 -5.03 117.38 115.08 2gaq n GLN 49 Ca 0.07 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.07 2gaq n GLN 49 Cb 0.47 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.65 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 -2.35 1.69 5.66 -1.26 -4.99 114.28 113.02 2gaq n THR 50 Ca 0.00 0.11 -0.00 0.00 -3.05 0.00 0.00 64.05 61.11 2gaq n THR 50 Cb 0.00 -0.69 0.00 0.00 -1.55 0.00 0.00 70.33 68.09 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 -0.04 0.02 1.09 7.94 -1.26 -5.01 117.00 119.74 2gaq n LEU 51 Ca 0.00 -0.91 0.00 0.00 -1.11 0.00 0.00 56.01 53.99 2gaq n LEU 51 Cb 0.00 0.83 0.00 0.00 0.53 0.00 0.00 43.42 44.78 2gaq n LEU 51 CO 0.00 0.95 -0.30 0.29 -1.11 0.00 0.00 177.39 177.22 2gaq n LYS 52 N -0.04 0.00 -1.08 1.96 4.76 -1.26 -4.82 118.16 117.68 2gaq n LYS 52 Ca -0.01 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.22 2gaq n LYS 52 Cb 0.47 -0.43 -0.11 0.00 -1.84 0.00 0.00 35.03 33.13 2gaq n LYS 52 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 2gaq n GLU 53 N -3.10 2.57 -2.53 1.97 0.00 -1.26 -3.85 120.64 114.43 2gaq n GLU 53 Ca 0.00 -1.42 -0.04 0.00 0.00 0.00 0.00 57.16 55.70 2gaq n GLU 53 Cb 0.30 -2.29 0.06 0.00 0.00 0.00 0.00 31.44 29.51 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 2.97 0.00 0.46 3.84 -1.04 -1.26 -4.85 114.28 114.40 2gaq n THR 54 Ca 0.55 -0.95 0.05 0.00 -2.04 0.00 0.00 64.05 61.66 2gaq n THR 54 Cb 0.62 0.81 -0.06 0.00 -1.82 0.00 0.00 70.33 69.87 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 -0.69 0.62 -0.00 8.00 7.64 -1.25 -4.15 113.62 123.79 2gaq n SER 55 Ca -0.13 -0.70 0.01 0.00 1.01 0.00 0.00 58.87 59.06 2gaq n SER 55 Cb 0.75 1.03 -0.01 0.00 -1.01 0.00 0.00 64.21 64.97 2gaq n SER 55 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 2gaq n PHE 56 N -1.28 0.00 0.02 1.43 -1.74 -1.26 -4.20 117.46 110.42 2gaq n PHE 56 Ca 0.02 0.00 -0.01 0.00 -0.56 0.00 0.00 57.45 56.90 2gaq n PHE 56 Cb 0.17 -0.02 -0.09 0.00 1.52 0.00 0.00 39.48 41.06 2gaq n PHE 56 CO 0.00 0.00 0.00 -1.71 -0.56 0.00 0.00 176.76 174.49 2gaq n ASN 57 N -1.29 0.80 0.10 5.98 5.15 -1.26 -1.91 115.26 122.83 2gaq n ASN 57 Ca 0.00 0.35 0.11 0.00 -0.60 0.00 0.00 54.58 54.45 2gaq n ASN 57 Cb 0.04 0.23 -0.01 0.00 -0.53 0.00 0.00 39.78 39.52 2gaq n ASN 57 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 2gaq n GLN 58 N -2.87 0.61 -0.02 1.20 -0.06 -1.26 -3.33 117.38 111.64 2gaq n GLN 58 Ca -0.11 0.12 -0.03 0.00 -2.00 0.00 0.00 57.00 54.98 2gaq n GLN 58 Cb 0.86 -1.82 -0.02 0.00 -4.06 0.00 0.00 30.24 25.20 2gaq n GLN 58 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2gaq n ALA 59 N -2.19 1.90 -2.47 1.69 0.00 -1.26 -4.79 120.51 113.40 2gaq n ALA 59 Ca -0.00 -0.20 -0.31 0.00 0.00 0.00 0.00 53.44 52.93 2gaq n ALA 59 Cb 0.56 0.36 0.00 0.00 0.00 0.00 0.00 19.45 20.37 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 -2.55 3.41 0.13 0.00 4.02 -0.80 -4.77 117.16 116.59 2gaq n TYR 60 Ca -0.08 -3.09 0.03 0.00 -0.01 0.00 0.00 57.90 54.76 2gaq n TYR 60 Cb 0.59 -0.50 0.41 0.00 -0.02 0.00 0.00 39.34 39.82 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 2.89 0.23 1.11 2.72 0.00 -1.55 -0.64 103.07 107.82 2gaq h GLY 61 Ca 0.34 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.54 2gaq h GLY 61 CO 1.00 0.13 -0.01 0.54 0.00 0.00 0.00 176.54 178.19 2gaq n ARG 62 N -4.29 0.81 0.00 4.80 1.74 -1.26 -3.75 116.66 114.70 2gaq n ARG 62 Ca -0.01 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 2gaq n ARG 62 Cb 0.26 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 2gaq n ARG 62 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2gaq n ASP 63 N -1.03 0.00 -0.05 0.55 2.03 -0.25 -4.07 116.55 113.74 2gaq n ASP 63 Ca 0.19 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.52 2gaq n ASP 63 Cb 0.18 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.61 2gaq n ASP 63 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2gaq n LEU 64 N 0.00 -0.03 -0.06 -2.67 0.00 -1.26 0.21 117.00 113.18 2gaq n LEU 64 Ca 0.00 0.23 -0.12 0.00 0.00 0.00 0.00 56.01 56.12 2gaq n LEU 64 Cb 0.00 -0.08 -0.08 0.00 0.00 0.00 0.00 43.42 43.26 2gaq n LEU 64 CO 0.00 -0.22 0.50 -0.03 0.00 0.00 0.00 177.39 177.64 2gaq h MET 65 N 0.00 -0.40 0.00 1.96 4.05 -1.83 -1.46 114.93 117.25 2gaq h MET 65 Ca 0.07 0.03 -0.07 0.00 -0.28 0.00 0.00 59.70 59.45 2gaq h MET 65 Cb 0.13 0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.01 2gaq h MET 65 CO -0.13 -0.27 -0.33 1.49 0.23 0.00 0.00 176.91 177.91 2gaq h GLU 66 N -0.42 0.00 -0.86 0.39 4.57 -0.33 0.15 114.58 118.08 2gaq h GLU 66 Ca 0.04 0.00 0.15 0.00 -1.18 0.00 0.00 59.36 58.38 2gaq h GLU 66 Cb 0.54 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.06 2gaq h GLU 66 CO -0.44 0.33 0.56 0.00 -1.18 0.00 0.00 179.01 178.28 2gaq h ALA 67 N 1.67 1.93 0.00 2.92 0.00 0.54 -1.37 119.26 124.95 2gaq h ALA 67 Ca -0.00 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2gaq h ALA 67 Cb 0.90 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2gaq h ALA 67 CO 0.04 -0.17 -1.75 0.94 0.00 0.00 0.00 179.25 178.31 2gaq n GLN 68 N -4.54 1.09 0.12 0.00 7.27 -0.64 -4.56 117.38 116.12 2gaq n GLN 68 Ca 0.17 -0.07 0.08 0.00 0.07 0.00 0.00 57.00 57.25 2gaq n GLN 68 Cb 0.51 -1.33 0.44 0.00 2.41 0.00 0.00 30.24 32.27 2gaq n GLN 68 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 2gaq n GLU 69 N -2.21 0.11 -0.18 3.69 2.13 0.51 -3.38 120.64 121.30 2gaq n GLU 69 Ca -0.11 0.58 -0.03 0.00 0.66 0.00 0.00 57.16 58.27 2gaq n GLU 69 Cb 0.62 -1.84 -0.03 0.00 0.27 0.00 0.00 31.44 30.46 2gaq n GLU 69 CO 0.00 0.00 0.00 -2.67 -0.41 0.00 0.00 177.13 174.05 2gaq n TRP 70 N -2.07 0.05 -0.11 4.31 4.27 -0.57 -4.18 117.44 119.14 2gaq n TRP 70 Ca -0.01 -0.34 -0.21 0.00 -3.89 0.00 0.00 57.50 53.05 2gaq n TRP 70 Cb 0.04 -0.65 -0.10 0.00 -1.36 0.00 0.00 31.31 29.25 2gaq n TRP 70 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2gaq n ARG 72 N -4.42 0.01 -0.07 0.00 1.74 -1.26 -0.06 116.66 112.60 2gaq n ARG 72 Ca -0.33 0.41 -0.14 0.00 -0.77 0.00 0.00 57.85 57.02 2gaq n ARG 72 Cb 0.66 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.56 2gaq n ARG 72 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 2gaq n LYS 73 N -1.47 0.29 0.26 5.56 2.85 -1.25 -3.66 118.16 120.73 2gaq n LYS 73 Ca 0.01 0.12 0.17 0.00 -1.05 0.00 0.00 58.31 57.57 2gaq n LYS 73 Cb 0.04 -1.00 0.76 0.00 -0.65 0.00 0.00 35.03 34.19 2gaq n LYS 73 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 177.40 176.43 2gaq h TYR 74 N -0.46 0.00 0.00 5.58 3.20 -0.29 0.43 116.97 125.43 2gaq h TYR 74 Ca -0.34 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.39 2gaq h TYR 74 Cb 1.31 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.56 2gaq h TYR 74 CO -0.04 0.00 -0.82 0.52 -1.64 0.00 0.00 178.16 176.18 2gaq h MET 75 N 0.00 0.00 0.09 1.82 2.86 -0.68 -3.07 114.93 115.95 2gaq h MET 75 Ca 0.00 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.47 2gaq h MET 75 Cb 0.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 2gaq h MET 75 CO 0.00 0.75 -0.80 0.87 1.06 0.00 0.00 176.91 178.79 2gaq h LYS 76 N -1.00 0.18 -0.01 1.72 1.57 -1.59 -3.35 116.57 114.09 2gaq h LYS 76 Ca -0.20 -0.31 -0.25 0.00 -1.87 0.00 0.00 60.65 58.02 2gaq h LYS 76 Cb 1.02 0.12 0.01 0.00 0.08 0.00 0.00 32.23 33.46 2gaq h LYS 76 CO -0.12 1.15 -0.99 1.03 -0.57 0.00 0.00 179.45 179.95 2gaq h SER 77 N -0.57 0.76 -6.08 0.86 0.87 -0.40 -3.47 113.55 105.52 2gaq h SER 77 Ca -0.17 -0.60 -0.46 0.00 -1.23 0.00 0.00 61.79 59.33 2gaq h SER 77 Cb 1.48 -0.23 -0.28 0.00 -0.44 0.00 0.00 62.40 62.93 2gaq h SER 77 CO 0.06 1.40 -0.66 0.61 -0.53 0.00 0.00 176.83 177.71 2gaq n GLY 78 N 1.00 -0.28 3.19 5.77 0.00 -0.57 -4.89 105.19 109.42 2gaq n GLY 78 Ca -0.09 0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.71 2.00 0.31 1.61 -0.87 -1.26 -5.01 114.94 109.01 2gaq s ASN 79 Ca 0.58 -0.48 0.18 0.00 -1.57 0.00 0.00 52.86 51.56 2gaq s ASN 79 Cb -0.34 -0.15 0.97 0.00 -0.02 0.00 0.00 41.25 41.72 2gaq s ASN 79 CO 0.75 0.09 1.51 0.52 -2.57 0.00 0.00 177.10 177.39 2gaq n VAL 80 N 1.88 0.94 0.31 1.60 0.31 -1.26 -1.32 118.33 120.79 2gaq n VAL 80 Ca -0.18 0.73 0.17 0.00 -0.01 0.00 0.00 64.34 65.05 2gaq n VAL 80 Cb 0.54 -1.73 0.87 0.00 -0.91 0.00 0.00 33.84 32.62 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 0.03 5.55 1.79 -1.95 0.38 116.57 122.36 2gaq h LYS 81 Ca 0.00 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.12 2gaq h LYS 81 Cb 0.20 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.80 2gaq h LYS 81 CO 0.00 0.00 -1.98 -0.25 -1.08 0.00 0.00 179.45 176.14 2gaq n ASP 82 N -3.03 1.97 -0.37 0.86 8.00 -0.43 -4.39 116.55 119.17 2gaq n ASP 82 Ca -0.01 0.26 0.04 0.00 0.71 0.00 0.00 54.79 55.79 2gaq n ASP 82 Cb 0.35 -0.82 0.20 0.00 -0.02 0.00 0.00 41.12 40.83 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 -0.60 1.01 -2.02 0.64 -0.00 -0.97 0.18 115.31 113.54 2gaq h LEU 83 Ca -0.50 0.02 0.13 0.00 -0.00 0.00 0.00 57.88 57.53 2gaq h LEU 83 Cb 1.65 -0.19 -0.02 0.00 -0.00 0.00 0.00 40.66 42.10 2gaq h LEU 83 CO -0.19 0.62 0.41 0.00 -0.00 0.00 0.00 178.44 179.28 2gaq h THR 84 N 1.13 0.51 0.04 0.22 1.03 -0.59 0.61 112.91 115.85 2gaq h THR 84 Ca 0.45 0.00 -0.36 0.00 -0.01 0.00 0.00 66.41 66.50 2gaq h THR 84 Cb 0.26 0.69 -0.05 0.00 -1.07 0.00 0.00 68.15 67.98 2gaq h THR 84 CO -0.20 0.00 -2.12 0.00 -0.01 0.00 0.00 175.52 173.19 2gaq n GLN 85 N -3.96 0.69 -0.22 0.00 3.00 0.42 -3.84 117.38 113.47 2gaq n GLN 85 Ca 0.08 0.20 -0.02 0.00 -0.01 0.00 0.00 57.00 57.25 2gaq n GLN 85 Cb 0.60 -1.65 0.19 0.00 0.00 0.00 0.00 30.24 29.38 2gaq n GLN 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2gaq h ALA 86 N 0.42 1.30 -0.59 -1.58 0.00 0.12 0.45 119.26 119.37 2gaq h ALA 86 Ca -0.45 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 54.43 2gaq h ALA 86 Cb 2.03 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 19.50 2gaq h ALA 86 CO 0.03 0.56 0.40 2.35 0.00 0.00 0.00 179.25 182.59 2gaq h TRP 87 N 1.01 0.41 0.38 0.00 2.91 -1.09 0.72 115.95 120.30 2gaq h TRP 87 Ca 0.25 0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.27 2gaq h TRP 87 Cb 0.06 -0.13 0.00 0.00 -0.51 0.00 0.00 29.16 28.58 2gaq h TRP 87 CO 0.01 0.20 -0.18 0.22 -1.03 0.00 0.00 178.44 177.65 2gaq h ASP 88 N 0.39 -0.43 -0.18 2.65 1.82 -1.06 0.29 116.42 119.89 2gaq h ASP 88 Ca 0.27 -0.13 -0.08 0.00 -0.39 0.00 0.00 57.03 56.70 2gaq h ASP 88 Cb 0.56 0.11 -0.02 0.00 0.68 0.00 0.00 39.33 40.67 2gaq h ASP 88 CO -0.07 -0.03 -0.12 0.17 -1.61 0.00 0.00 179.24 177.57 2gaq h LEU 89 N -0.92 0.54 0.09 2.28 8.10 -0.54 0.60 115.31 125.46 2gaq h LEU 89 Ca -0.05 -0.15 -0.00 0.00 0.11 0.00 0.00 57.88 57.79 2gaq h LEU 89 Cb 0.54 -0.15 0.00 0.00 -0.44 0.00 0.00 40.66 40.62 2gaq h LEU 89 CO 0.09 0.70 -0.04 1.88 -4.11 0.00 0.00 178.44 176.95 2gaq h TYR 90 N 0.51 -0.11 -0.11 0.17 0.05 0.43 0.12 116.97 118.03 2gaq h TYR 90 Ca 0.09 -0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.79 2gaq h TYR 90 Cb 0.52 0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.29 2gaq h TYR 90 CO 0.02 0.12 -0.25 -0.92 -1.05 0.00 0.00 178.16 176.08 2gaq h TYR 91 N -0.33 0.46 -0.83 4.88 3.20 -0.10 0.50 116.97 124.75 2gaq h TYR 91 Ca -0.01 -0.17 0.05 0.00 3.14 0.00 0.00 58.73 61.73 2gaq h TYR 91 Cb 0.28 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.41 2gaq h TYR 91 CO -0.00 0.86 0.52 1.25 -1.64 0.00 0.00 178.16 179.15 2gaq h HIS 92 N -0.06 0.97 0.01 -3.82 2.76 0.20 -2.16 115.15 113.05 2gaq h HIS 92 Ca 0.00 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.10 2gaq h HIS 92 Cb 0.84 -0.32 0.01 0.00 1.55 0.00 0.00 27.41 29.49 2gaq h HIS 92 CO 0.11 0.53 -0.39 -0.24 -1.30 0.00 0.00 177.93 176.63 2gaq h VAL 93 N 0.99 1.51 -1.30 5.26 3.04 -0.73 -2.98 116.25 122.03 2gaq h VAL 93 Ca 0.35 -2.04 0.45 0.00 -1.01 0.00 0.00 66.70 64.45 2gaq h VAL 93 Cb 0.09 2.75 -0.13 0.00 -2.01 0.00 0.00 31.29 31.99 2gaq h VAL 93 CO -0.15 0.57 0.83 0.33 -1.01 0.00 0.00 177.57 178.15 2gaq n PHE 94 N -4.39 0.68 0.04 3.17 -0.00 0.18 0.36 117.46 117.49 2gaq n PHE 94 Ca -0.10 0.69 -0.21 0.00 -0.00 0.00 0.00 57.45 57.83 2gaq n PHE 94 Cb 0.58 -1.12 -0.14 0.00 -0.00 0.00 0.00 39.48 38.80 2gaq n PHE 94 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2gaq h ARG 95 N 0.00 0.29 0.51 -4.13 2.47 -1.45 -2.87 114.38 109.20 2gaq h ARG 95 Ca 0.84 -0.50 -0.02 0.00 -1.26 0.00 0.00 59.98 59.03 2gaq h ARG 95 Cb 2.68 0.19 0.00 0.00 -1.65 0.00 0.00 29.97 31.19 2gaq h ARG 95 CO -0.45 1.24 -0.24 -0.09 0.56 0.00 0.00 179.97 180.98 2gaq h ARG 96 N -0.33 -0.65 0.00 0.04 2.43 -0.10 -3.02 114.38 112.74 2gaq h ARG 96 Ca -0.20 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 2gaq h ARG 96 Cb 1.70 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 31.40 2gaq h ARG 96 CO 0.13 -0.44 0.00 0.44 -1.51 0.00 0.00 179.97 178.59 2gaq n ILE 97 N -4.17 0.92 -0.08 1.20 -5.35 0.16 -2.08 119.36 109.96 2gaq n ILE 97 Ca -0.08 0.44 -0.08 0.00 -0.27 0.00 0.00 62.75 62.75 2gaq n ILE 97 Cb 0.27 -1.40 -0.01 0.00 -1.74 0.00 0.00 39.64 36.75 2gaq n ILE 97 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 2gaq h SER 98 N 0.00 0.24 -4.88 7.28 0.87 -1.38 -3.46 113.55 112.22 2gaq h SER 98 Ca 0.00 0.01 -0.31 0.00 -1.23 0.00 0.00 61.79 60.26 2gaq h SER 98 Cb 0.21 -0.04 0.12 0.00 -0.44 0.00 0.00 62.40 62.25 2gaq h SER 98 CO 0.00 0.18 -0.56 0.29 -0.53 0.00 0.00 176.83 176.21 2gaq n LYS 99 N -4.95 -6.18 0.00 2.24 4.76 -0.88 -5.07 118.16 108.08 2gaq n LYS 99 Ca -0.01 0.67 0.00 0.00 -2.87 0.00 0.00 58.31 56.10 2gaq n LYS 99 Cb 0.06 -5.20 0.00 0.00 -1.84 0.00 0.00 35.03 28.05 2gaq n LYS 99 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97