#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 3.47 -0.42 -4.62 -0.00 -1.26 -3.56 117.00 110.60 2gaq n LEU 2 Ca 0.00 -2.27 0.00 0.00 -0.00 0.00 0.00 56.01 53.74 2gaq n LEU 2 Cb 0.00 -0.87 0.00 0.00 -0.00 0.00 0.00 43.42 42.55 2gaq n LEU 2 CO 0.00 0.34 0.23 2.30 -0.00 0.00 0.00 177.39 180.26 2gaq n ILE 3 N 3.85 0.00 0.06 1.47 -6.64 -1.26 -4.83 119.36 112.01 2gaq n ILE 3 Ca 0.31 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.29 2gaq n ILE 3 Cb 0.21 0.24 0.00 0.00 -1.44 0.00 0.00 39.64 38.65 2gaq n ILE 3 CO 0.00 0.00 0.00 -2.11 -1.77 0.00 0.00 176.55 172.67 2gaq n ARG 4 N 0.00 0.00 -2.69 6.28 1.85 -1.23 -5.03 116.66 115.84 2gaq n ARG 4 Ca 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 57.85 56.79 2gaq n ARG 4 Cb 0.57 0.00 0.10 0.00 -1.05 0.00 0.00 32.46 32.08 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 -2.78 0.00 -0.40 8.89 3.14 -1.26 -5.00 118.33 120.91 2gaq n VAL 5 Ca 0.00 -1.03 0.38 0.00 -2.96 0.00 0.00 64.34 60.73 2gaq n VAL 5 Cb 0.00 1.26 0.75 0.00 -1.06 0.00 0.00 33.84 34.79 2gaq n VAL 5 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2gaq h ALA 6 N 2.65 3.19 -5.90 1.55 0.00 -1.88 -3.46 119.26 115.41 2gaq h ALA 6 Ca -0.22 -0.03 -0.35 0.00 0.00 0.00 0.00 54.91 54.31 2gaq h ALA 6 Cb 1.16 0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.06 2gaq h ALA 6 CO 0.05 -1.59 -0.96 1.51 0.00 0.00 0.00 179.25 178.26 2gaq n ILE 7 N -4.19 -2.92 -0.67 0.00 0.00 -1.26 -4.86 119.36 105.46 2gaq n ILE 7 Ca 0.30 0.04 -0.31 0.00 0.00 0.00 0.00 62.75 62.77 2gaq n ILE 7 Cb 1.38 -2.65 0.18 0.00 0.00 0.00 0.00 39.64 38.54 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 -0.77 -0.01 0.03 9.51 7.99 -1.26 -4.95 117.00 127.54 2gaq n LEU 8 Ca -0.13 0.15 -0.19 0.00 -0.01 0.00 0.00 56.01 55.83 2gaq n LEU 8 Cb 0.56 -1.24 -0.14 0.00 -0.11 0.00 0.00 43.42 42.49 2gaq n LEU 8 CO 0.47 -3.06 0.12 -0.50 -1.51 0.00 0.00 177.39 172.91 2gaq h TRP 9 N -2.01 0.50 -0.23 -1.77 6.55 -1.92 -3.23 115.95 113.85 2gaq h TRP 9 Ca -0.50 -0.35 0.07 0.00 0.95 0.00 0.00 58.89 59.07 2gaq h TRP 9 Cb 1.31 -0.03 -0.01 0.00 -0.86 0.00 0.00 29.16 29.57 2gaq h TRP 9 CO 0.34 1.24 0.17 1.25 -1.05 0.00 0.00 178.44 180.40 2gaq h HIS 10 N -0.38 0.00 -0.37 0.49 -0.00 -1.91 -1.06 115.15 111.93 2gaq h HIS 10 Ca -0.11 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.21 2gaq h HIS 10 Cb 1.51 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.91 2gaq h HIS 10 CO 0.19 0.00 0.04 0.93 -0.00 0.00 0.00 177.93 179.09 2gaq h GLU 11 N 0.00 0.62 0.00 5.26 4.39 -1.93 -1.82 114.58 121.10 2gaq h GLU 11 Ca 0.11 -0.18 -0.06 0.00 0.34 0.00 0.00 59.36 59.57 2gaq h GLU 11 Cb 0.46 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 2gaq h GLU 11 CO -0.00 0.70 -0.30 0.00 -1.16 0.00 0.00 179.01 178.25 2gaq h MET 12 N 0.45 0.00 -0.60 2.33 -0.00 -1.23 -2.49 114.93 113.40 2gaq h MET 12 Ca 0.11 0.00 0.02 0.00 -0.00 0.00 0.00 59.70 59.82 2gaq h MET 12 Cb 0.39 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.96 2gaq h MET 12 CO 0.01 0.30 0.40 -1.49 -0.00 0.00 0.00 176.91 176.12 2gaq h TRP 13 N 0.00 0.73 0.10 -0.10 -0.00 -0.79 0.66 115.95 116.54 2gaq h TRP 13 Ca -0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 58.89 58.90 2gaq h TRP 13 Cb 0.69 -0.24 -0.00 0.00 -0.00 0.00 0.00 29.16 29.60 2gaq h TRP 13 CO 0.00 0.45 -0.09 1.25 -0.00 0.00 0.00 178.44 180.05 2gaq h HIS 14 N 0.77 -0.24 -0.50 0.49 2.76 -1.20 0.54 115.15 117.78 2gaq h HIS 14 Ca 0.23 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.27 2gaq h HIS 14 Cb -0.03 0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.00 2gaq h HIS 14 CO -0.00 -0.12 -0.18 0.93 -1.30 0.00 0.00 177.93 177.26 2gaq h GLU 15 N -0.18 1.01 0.00 5.26 5.08 -1.68 -1.58 114.58 122.50 2gaq h GLU 15 Ca -0.01 -0.42 -0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2gaq h GLU 15 Cb 0.15 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 2gaq h GLU 15 CO -0.00 1.10 -0.01 0.78 -1.00 0.00 0.00 179.01 179.87 2gaq h GLY 16 N 0.88 0.00 1.79 -3.84 0.00 0.39 0.78 103.07 103.07 2gaq h GLY 16 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.21 2gaq h GLY 16 CO 0.06 0.00 -1.10 1.41 0.00 0.00 0.00 176.54 176.91 2gaq h LEU 17 N 0.00 0.24 0.11 3.11 3.38 0.34 -3.16 115.31 119.34 2gaq h LEU 17 Ca -0.00 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 2gaq h LEU 17 Cb 0.03 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2gaq h LEU 17 CO 0.00 1.17 -0.05 -0.08 0.09 0.00 0.00 178.44 179.57 2gaq h GLU 18 N 0.05 -0.15 -0.08 1.13 4.81 0.02 0.92 114.58 121.29 2gaq h GLU 18 Ca -0.07 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2gaq h GLU 18 Cb 1.83 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 31.24 2gaq h GLU 18 CO 0.17 0.31 0.37 1.49 -0.73 0.00 0.00 179.01 180.61 2gaq h GLU 19 N -0.92 0.00 0.00 1.92 4.57 0.31 0.66 114.58 121.12 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 0.52 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.11 2gaq h GLU 19 CO 0.03 0.00 -0.83 0.00 -1.18 0.00 0.00 179.01 177.02 2gaq n ALA 20 N -1.96 0.73 0.27 2.92 0.00 -1.09 -3.90 120.51 117.48 2gaq n ALA 20 Ca -0.00 -0.68 0.18 0.00 0.00 0.00 0.00 53.44 52.94 2gaq n ALA 20 Cb 0.44 0.02 0.93 0.00 0.00 0.00 0.00 19.45 20.84 2gaq n ALA 20 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2gaq h SER 21 N -1.00 0.00 -0.15 0.00 4.64 0.14 0.22 113.55 117.40 2gaq h SER 21 Ca -0.01 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.13 2gaq h SER 21 Cb 0.83 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.93 2gaq h SER 21 CO -0.00 0.00 -0.62 -0.09 -0.87 0.00 0.00 176.83 175.24 2gaq h ARG 22 N 0.00 0.68 0.00 4.77 9.65 0.13 1.05 114.38 130.66 2gaq h ARG 22 Ca 0.04 -0.54 -0.01 0.00 -1.10 0.00 0.00 59.98 58.37 2gaq h ARG 22 Cb 0.37 0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 29.06 2gaq h ARG 22 CO -0.00 1.15 -0.06 -0.07 2.80 0.00 0.00 179.97 183.79 2gaq h LEU 23 N 0.36 0.00 0.00 3.80 3.38 -0.69 0.17 115.31 122.34 2gaq h LEU 23 Ca -0.04 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 2gaq h LEU 23 Cb 1.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 2gaq h LEU 23 CO 0.13 0.06 -0.88 0.00 0.09 0.00 0.00 178.44 177.84 2gaq n TYR 24 N -3.66 0.69 0.99 1.13 9.36 -0.98 0.15 117.16 124.83 2gaq n TYR 24 Ca -0.02 0.30 0.09 0.00 3.32 0.00 0.00 57.90 61.58 2gaq n TYR 24 Cb 0.17 -0.79 0.49 0.00 -0.63 0.00 0.00 39.34 38.58 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 -4.53 0.00 0.00 2.98 7.35 0.36 0.17 117.46 123.79 2gaq n PHE 25 Ca -0.16 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.53 2gaq n PHE 25 Cb 0.43 -0.12 0.00 0.00 0.35 0.00 0.00 39.48 40.14 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 0.15 0.00 0.13 7.13 0.00 0.61 -4.88 105.19 108.33 2gaq n GLY 26 Ca 0.11 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.15 2gaq n GLY 26 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2gaq n GLU 27 N -2.32 0.93 -3.49 1.61 0.00 -0.92 -5.02 120.64 111.44 2gaq n GLU 27 Ca 0.00 -1.21 -0.22 0.00 0.00 0.00 0.00 57.16 55.73 2gaq n GLU 27 Cb 0.44 -0.79 -0.04 0.00 0.00 0.00 0.00 31.44 31.05 2gaq n GLU 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2gaq n ARG 28 N -0.36 -1.70 -3.24 3.44 5.12 0.13 -4.82 116.66 115.22 2gaq n ARG 28 Ca 0.03 0.07 -0.40 0.00 -1.93 0.00 0.00 57.85 55.62 2gaq n ARG 28 Cb 0.51 -4.37 -0.02 0.00 -1.16 0.00 0.00 32.46 27.43 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 -1.89 5.50 0.29 0.55 5.15 0.12 -4.75 115.26 120.23 2gaq n ASN 29 Ca 0.06 -3.29 0.20 0.00 -0.60 0.00 0.00 54.58 50.95 2gaq n ASN 29 Cb 0.45 -1.18 0.99 0.00 -0.53 0.00 0.00 39.78 39.50 2gaq n ASN 29 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 2gaq h VAL 30 N 3.54 0.00 -0.02 3.44 2.07 -1.88 -1.13 116.25 122.27 2gaq h VAL 30 Ca 0.19 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 2gaq h VAL 30 Cb 0.71 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 2gaq h VAL 30 CO 1.12 0.00 -0.02 0.50 0.02 0.00 0.00 177.57 179.18 2gaq h LYS 31 N 0.00 0.05 0.33 1.57 1.63 -1.95 -2.56 116.57 115.64 2gaq h LYS 31 Ca 0.00 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.76 2gaq h LYS 31 Cb 0.13 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.76 2gaq h LYS 31 CO 0.00 0.54 -0.16 0.78 -3.45 0.00 0.00 179.45 177.16 2gaq h GLY 32 N -0.43 -0.46 0.42 5.01 0.00 -1.61 -2.72 103.07 103.29 2gaq h GLY 32 Ca 0.00 0.17 0.21 0.00 0.00 0.00 0.00 47.33 47.71 2gaq h GLY 32 CO 0.01 -0.17 0.56 0.00 0.00 0.00 0.00 176.54 176.94 2gaq h MET 33 N -0.51 0.21 0.00 4.80 -0.00 -1.45 0.82 114.93 118.79 2gaq h MET 33 Ca -0.04 -0.01 -0.00 0.00 -0.00 0.00 0.00 59.70 59.64 2gaq h MET 33 Cb 0.39 -0.05 -0.00 0.00 -0.00 0.00 0.00 31.60 31.94 2gaq h MET 33 CO 0.07 0.14 -0.02 0.35 -0.00 0.00 0.00 176.91 177.45 2gaq h PHE 34 N 0.21 0.00 0.01 -0.10 3.57 -1.12 0.14 116.94 119.66 2gaq h PHE 34 Ca 0.41 0.00 -0.26 0.00 3.53 0.00 0.00 57.97 61.65 2gaq h PHE 34 Cb 1.27 0.00 0.02 0.00 2.79 0.00 0.00 35.95 40.04 2gaq h PHE 34 CO -0.00 0.02 -1.03 1.49 -2.23 0.00 0.00 178.31 176.56 2gaq h GLU 35 N 0.00 0.67 0.00 1.11 4.81 -0.83 -0.10 114.58 120.24 2gaq h GLU 35 Ca -0.00 -0.74 -0.12 0.00 -0.13 0.00 0.00 59.36 58.37 2gaq h GLU 35 Cb 0.31 0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 2gaq h GLU 35 CO 0.00 1.32 -0.92 -0.24 -0.73 0.00 0.00 179.01 178.44 2gaq h VAL 36 N 0.34 0.62 0.00 0.32 3.04 -1.42 -3.28 116.25 115.86 2gaq h VAL 36 Ca -0.13 -2.00 0.00 0.00 -1.01 0.00 0.00 66.70 63.56 2gaq h VAL 36 Cb 1.69 2.17 0.00 0.00 -2.01 0.00 0.00 31.29 33.14 2gaq h VAL 36 CO 0.20 0.35 -0.34 0.18 -1.01 0.00 0.00 177.57 176.96 2gaq n LEU 37 N -3.04 0.59 0.26 3.16 7.99 0.40 -3.06 117.00 123.30 2gaq n LEU 37 Ca -0.03 0.33 -0.11 0.00 -0.01 0.00 0.00 56.01 56.19 2gaq n LEU 37 Cb 0.76 -0.28 -0.05 0.00 -0.11 0.00 0.00 43.42 43.74 2gaq n LEU 37 CO 0.41 -0.05 0.41 -0.08 -1.51 0.00 0.00 177.39 176.57 2gaq h GLU 38 N 0.00 -0.66 0.00 3.23 4.81 -1.06 -0.88 114.58 120.01 2gaq h GLU 38 Ca 0.00 0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 2gaq h GLU 38 Cb 0.66 0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.19 2gaq h GLU 38 CO 0.00 -0.44 -0.07 -1.00 -0.73 0.00 0.00 179.01 176.77 2gaq h PRO 39 N -0.83 0.00 0.00 0.92 0.13 -1.72 -2.23 132.00 128.27 2gaq h PRO 39 Ca -0.07 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.98 2gaq h PRO 39 Cb 0.53 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.65 2gaq h PRO 39 CO 0.12 0.07 -0.36 -0.07 -0.23 0.00 0.00 178.00 177.53 2gaq h LEU 40 N 0.00 0.00 -0.12 1.56 3.38 -1.46 0.52 115.31 119.20 2gaq h LEU 40 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2gaq h LEU 40 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2gaq h LEU 40 CO 0.01 0.36 -0.37 -0.74 0.09 0.00 0.00 178.44 177.79 2gaq h HIS 41 N 0.00 0.61 -0.18 1.13 2.76 -0.54 -2.96 115.15 115.97 2gaq h HIS 41 Ca -0.00 -0.25 -0.13 0.00 -2.20 0.00 0.00 60.37 57.79 2gaq h HIS 41 Cb 0.69 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.55 2gaq h HIS 41 CO 0.00 0.99 -0.39 0.00 -1.30 0.00 0.00 177.93 177.23 2gaq h ALA 42 N 0.50 0.29 0.00 5.26 0.00 -1.21 0.15 119.26 124.26 2gaq h ALA 42 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2gaq h ALA 42 Cb 1.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2gaq h ALA 42 CO 0.08 0.39 0.00 -1.33 0.00 0.00 0.00 179.25 178.39 2gaq n MET 43 N -4.27 0.34 -0.00 0.00 2.00 0.18 -0.93 117.12 114.43 2gaq n MET 43 Ca -0.06 0.08 0.03 0.00 0.00 0.00 0.00 57.70 57.75 2gaq n MET 43 Cb 0.53 -1.50 -0.05 0.00 0.00 0.00 0.00 33.22 32.20 2gaq n MET 43 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 2gaq n MET 44 N -1.14 0.76 -0.01 0.03 2.81 -0.73 -4.80 117.12 114.03 2gaq n MET 44 Ca 0.09 -0.05 -0.18 0.00 -1.81 0.00 0.00 57.70 55.75 2gaq n MET 44 Cb 0.08 -1.10 -0.14 0.00 -0.71 0.00 0.00 33.22 31.35 2gaq n MET 44 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2gaq n GLU 45 N -1.65 0.72 -0.38 0.03 2.13 0.45 -4.24 120.64 117.70 2gaq n GLU 45 Ca -0.01 0.25 0.34 0.00 0.66 0.00 0.00 57.16 58.41 2gaq n GLU 45 Cb 0.15 -1.71 0.68 0.00 0.27 0.00 0.00 31.44 30.84 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 0.05 0.11 0.00 5.31 2.43 -1.28 -3.47 114.38 117.53 2gaq h ARG 46 Ca -0.41 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 2gaq h ARG 46 Cb 2.03 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.55 2gaq h ARG 46 CO 0.07 0.07 0.00 0.41 -1.51 0.00 0.00 179.97 179.01 2gaq n GLY 47 N -1.68 3.05 0.23 2.80 0.00 -1.26 -5.10 105.19 103.24 2gaq n GLY 47 Ca 0.29 -1.76 -0.02 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.17 -1.41 0.00 1.61 -0.04 -1.26 -4.99 135.00 128.73 2gaq n PRO 48 Ca 0.00 -0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 2gaq n PRO 48 Cb 0.00 -0.11 0.00 0.00 -0.04 0.00 0.00 33.50 33.35 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 -1.86 0.00 0.00 0.54 10.64 -1.26 -5.06 117.38 120.38 2gaq n GLN 49 Ca 0.01 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.18 2gaq n GLN 49 Cb 0.04 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.42 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 -0.13 0.00 0.00 -0.39 5.66 -1.26 -4.95 114.28 113.21 2gaq n THR 50 Ca 0.00 0.29 0.00 0.00 -3.05 0.00 0.00 64.05 61.29 2gaq n THR 50 Cb 0.00 -1.04 0.00 0.00 -1.55 0.00 0.00 70.33 67.74 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 -0.02 1.09 0.00 -1.26 -5.03 117.00 111.77 2gaq n LEU 51 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 56.01 55.97 2gaq n LEU 51 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.40 2gaq n LEU 51 CO 0.00 0.00 -0.66 0.29 0.00 0.00 0.00 177.39 177.02 2gaq n LYS 52 N 0.00 0.11 -1.45 1.96 5.02 -1.26 -4.82 118.16 117.72 2gaq n LYS 52 Ca 0.00 0.03 -0.40 0.00 -2.02 0.00 0.00 58.31 55.93 2gaq n LYS 52 Cb 0.00 -0.99 -0.02 0.00 -0.02 0.00 0.00 35.03 34.00 2gaq n LYS 52 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2gaq n GLU 53 N -2.78 3.23 -2.69 1.97 0.00 -1.26 -4.20 120.64 114.91 2gaq n GLU 53 Ca -0.09 -2.32 -0.06 0.00 0.00 0.00 0.00 57.16 54.69 2gaq n GLU 53 Cb 0.58 -2.99 0.09 0.00 0.00 0.00 0.00 31.44 29.12 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 4.29 0.00 -0.12 3.84 -1.04 -1.26 -4.65 114.28 115.34 2gaq n THR 54 Ca 0.66 -1.24 -0.25 0.00 -2.04 0.00 0.00 64.05 61.17 2gaq n THR 54 Cb 0.30 1.04 -0.11 0.00 -1.82 0.00 0.00 70.33 69.74 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 -0.25 1.96 -0.05 8.00 7.64 -1.26 -3.98 113.62 125.68 2gaq n SER 55 Ca -0.06 0.24 -0.14 0.00 1.01 0.00 0.00 58.87 59.92 2gaq n SER 55 Cb 0.76 -0.76 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 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 -0.70 0.50 0.00 1.43 -0.00 -1.93 -3.00 116.94 113.24 2gaq h PHE 56 Ca -0.60 -0.17 0.00 0.00 -0.00 0.00 0.00 57.97 57.19 2gaq h PHE 56 Cb 1.66 -0.10 0.00 0.00 -0.00 0.00 0.00 35.95 37.52 2gaq h PHE 56 CO -0.02 0.85 0.00 -1.71 -0.00 0.00 0.00 178.31 177.43 2gaq n ASN 57 N -4.46 0.48 -0.01 -0.68 2.85 -1.26 0.53 115.26 112.70 2gaq n ASN 57 Ca -0.07 0.65 -0.17 0.00 -0.11 0.00 0.00 54.58 54.88 2gaq n ASN 57 Cb 0.43 -0.74 -0.14 0.00 1.24 0.00 0.00 39.78 40.58 2gaq n ASN 57 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 2gaq h GLN 58 N 0.00 0.16 0.00 1.20 -0.00 -1.66 -3.40 115.11 111.41 2gaq h GLN 58 Ca 0.00 -0.26 -0.03 0.00 -0.00 0.00 0.00 58.65 58.36 2gaq h GLN 58 Cb 0.22 0.09 -0.01 0.00 0.00 0.00 0.00 27.48 27.79 2gaq h GLN 58 CO 0.00 1.11 -1.12 0.00 0.00 0.00 0.00 178.83 178.82 2gaq n ALA 59 N -2.63 2.21 -0.71 3.38 0.00 -1.02 -4.71 120.51 117.02 2gaq n ALA 59 Ca -0.12 -0.09 -0.08 0.00 0.00 0.00 0.00 53.44 53.15 2gaq n ALA 59 Cb 0.65 0.46 0.01 0.00 0.00 0.00 0.00 19.45 20.57 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 -2.71 0.74 0.22 0.00 4.01 0.19 -4.43 117.16 115.18 2gaq n TYR 60 Ca -0.04 -1.48 0.06 0.00 -0.16 0.00 0.00 57.90 56.29 2gaq n TYR 60 Cb 0.54 -0.74 0.57 0.00 -0.31 0.00 0.00 39.34 39.39 2gaq n TYR 60 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2gaq h GLY 61 N 2.82 0.07 0.52 2.72 0.00 -1.70 -0.61 103.07 106.90 2gaq h GLY 61 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.44 2gaq h GLY 61 CO 0.37 0.03 -0.34 0.54 0.00 0.00 0.00 176.54 177.14 2gaq n ARG 62 N -4.46 0.54 0.00 4.80 1.74 -1.26 -3.73 116.66 114.29 2gaq n ARG 62 Ca -0.02 -0.31 0.00 0.00 -0.77 0.00 0.00 57.85 56.75 2gaq n ARG 62 Cb 0.14 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 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 -0.96 0.00 0.00 0.55 -0.08 -0.23 -4.14 116.55 111.68 2gaq n ASP 63 Ca 0.10 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.38 2gaq n ASP 63 Cb 0.34 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.80 2gaq n ASP 63 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2gaq n LEU 64 N 0.00 0.00 -0.31 -2.67 4.77 -1.26 0.19 117.00 117.73 2gaq n LEU 64 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 2gaq n LEU 64 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 2gaq n LEU 64 CO 0.00 0.00 0.49 -0.03 -1.33 0.00 0.00 177.39 176.52 2gaq h MET 65 N 0.00 -0.14 0.00 3.23 4.05 -1.78 0.38 114.93 120.67 2gaq h MET 65 Ca 0.00 0.01 -0.18 0.00 -0.28 0.00 0.00 59.70 59.25 2gaq h MET 65 Cb 0.00 0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 30.81 2gaq h MET 65 CO 0.00 -0.09 -0.85 0.93 0.23 0.00 0.00 176.91 177.13 2gaq h GLU 66 N -0.14 0.00 0.00 0.39 3.07 -0.34 -0.10 114.58 117.46 2gaq h GLU 66 Ca 0.12 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.98 2gaq h GLU 66 Cb 0.46 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.37 2gaq h GLU 66 CO -0.79 0.85 -0.03 0.00 -1.40 0.00 0.00 179.01 177.64 2gaq h ALA 67 N 1.15 1.23 0.00 3.43 0.00 0.86 -1.41 119.26 124.52 2gaq h ALA 67 Ca -0.01 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.63 2gaq h ALA 67 Cb 1.64 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.38 2gaq h ALA 67 CO 0.11 0.04 -1.91 0.00 0.00 0.00 0.00 179.25 177.49 2gaq n GLN 68 N -3.45 1.12 0.29 0.00 10.64 0.12 -4.56 117.38 121.54 2gaq n GLN 68 Ca -0.02 0.05 0.19 0.00 -1.83 0.00 0.00 57.00 55.38 2gaq n GLN 68 Cb 0.14 -1.33 1.00 0.00 -0.86 0.00 0.00 30.24 29.19 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 0.00 2.61 4.81 -0.24 0.40 114.58 122.16 2gaq h GLU 69 Ca -0.36 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 2gaq h GLU 69 Cb 1.68 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.06 2gaq h GLU 69 CO -0.02 0.00 0.00 0.91 -0.73 0.00 0.00 179.01 179.17 2gaq n TRP 70 N -3.44 0.00 -0.22 0.92 8.01 -0.60 -3.78 117.44 118.33 2gaq n TRP 70 Ca -0.02 0.00 0.01 0.00 -1.31 0.00 0.00 57.50 56.19 2gaq n TRP 70 Cb 0.18 0.00 0.13 0.00 -2.01 0.00 0.00 31.31 29.61 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 0.43 0.00 0.00 0.00 2.43 -1.81 0.49 114.38 115.92 2gaq h ARG 72 Ca 0.34 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.45 2gaq h ARG 72 Cb 0.45 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 2gaq h ARG 72 CO -0.33 0.00 -0.36 -0.22 -1.51 0.00 0.00 179.97 177.55 2gaq h LYS 73 N 0.00 0.00 -0.01 0.20 1.63 -1.12 -2.95 116.57 114.32 2gaq h LYS 73 Ca 0.08 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 2gaq h LYS 73 Cb 0.34 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.97 2gaq h LYS 73 CO -0.00 0.77 0.03 -0.92 -3.45 0.00 0.00 179.45 175.87 2gaq h TYR 74 N -1.00 0.00 0.10 1.91 5.03 0.98 0.55 116.97 124.54 2gaq h TYR 74 Ca -0.09 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.22 2gaq h TYR 74 Cb 0.88 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.16 2gaq h TYR 74 CO 0.15 0.00 -0.05 0.52 -1.32 0.00 0.00 178.16 177.47 2gaq h MET 75 N 0.00 -0.13 0.11 1.82 2.86 -0.15 -2.72 114.93 116.72 2gaq h MET 75 Ca 0.00 0.01 -0.19 0.00 -2.06 0.00 0.00 59.70 57.47 2gaq h MET 75 Cb 0.05 0.03 0.02 0.00 0.06 0.00 0.00 31.60 31.76 2gaq h MET 75 CO -0.00 -0.08 -0.80 0.87 1.06 0.00 0.00 176.91 177.96 2gaq h LYS 76 N -0.72 0.35 -0.15 1.72 1.79 -1.31 -3.34 116.57 114.93 2gaq h LYS 76 Ca -0.01 -0.52 -0.21 0.00 -2.18 0.00 0.00 60.65 57.73 2gaq h LYS 76 Cb 0.10 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 2gaq h LYS 76 CO 0.02 1.22 -0.73 1.03 -1.08 0.00 0.00 179.45 179.91 2gaq h SER 77 N -0.25 0.80 -4.94 0.86 0.87 -0.12 -3.47 113.55 107.31 2gaq h SER 77 Ca -0.13 -0.51 -0.12 0.00 -1.23 0.00 0.00 61.79 59.79 2gaq h SER 77 Cb 1.58 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 63.27 2gaq h SER 77 CO 0.15 1.29 -0.17 0.61 -0.53 0.00 0.00 176.83 178.18 2gaq n GLY 78 N 0.61 -0.49 3.39 5.77 0.00 -1.03 -4.89 105.19 108.55 2gaq n GLY 78 Ca -0.06 0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.15 4.37 0.48 1.61 3.84 -1.26 -4.97 114.94 116.86 2gaq s ASN 79 Ca 0.09 -0.28 0.21 0.00 0.21 0.00 0.00 52.86 53.09 2gaq s ASN 79 Cb -0.05 -1.71 1.15 0.00 -0.55 0.00 0.00 41.25 40.09 2gaq s ASN 79 CO 0.11 0.10 1.60 0.58 -2.79 0.00 0.00 177.10 176.70 2gaq h VAL 80 N 5.42 0.00 -0.35 -5.21 2.07 -1.98 0.09 116.25 116.30 2gaq h VAL 80 Ca -0.33 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.30 2gaq h VAL 80 Cb 1.19 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2gaq h VAL 80 CO 0.59 0.00 0.62 0.11 0.02 0.00 0.00 177.57 178.91 2gaq h LYS 81 N 0.00 0.00 0.04 1.57 1.79 -1.97 0.66 116.57 118.66 2gaq h LYS 81 Ca 0.00 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 58.10 2gaq h LYS 81 Cb 0.61 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.21 2gaq h LYS 81 CO 0.00 0.00 -2.22 -0.40 -1.08 0.00 0.00 179.45 175.75 2gaq n ASP 82 N -3.23 1.66 0.07 0.86 5.68 0.02 -4.50 116.55 117.10 2gaq n ASP 82 Ca 0.06 0.06 -0.02 0.00 -0.50 0.00 0.00 54.79 54.39 2gaq n ASP 82 Cb 0.76 -0.35 0.25 0.00 -1.14 0.00 0.00 41.12 40.63 2gaq n ASP 82 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 2gaq h LEU 83 N 0.03 0.34 -1.35 -2.12 7.12 -0.93 -0.59 115.31 117.80 2gaq h LEU 83 Ca -0.49 -0.12 0.24 0.00 0.13 0.00 0.00 57.88 57.65 2gaq h LEU 83 Cb 2.00 -0.09 -0.09 0.00 -0.53 0.00 0.00 40.66 41.95 2gaq h LEU 83 CO 0.00 0.63 0.65 0.00 -0.13 0.00 0.00 178.44 179.59 2gaq h THR 84 N 0.29 0.58 0.10 1.05 1.03 -0.02 0.59 112.91 116.52 2gaq h THR 84 Ca 0.04 -0.15 -0.35 0.00 -0.01 0.00 0.00 66.41 65.94 2gaq h THR 84 Cb 0.67 0.10 -0.02 0.00 -1.07 0.00 0.00 68.15 67.83 2gaq h THR 84 CO 0.05 0.08 -1.94 0.00 -0.01 0.00 0.00 175.52 173.70 2gaq n GLN 85 N -4.62 0.73 0.00 0.00 1.13 -0.88 -3.52 117.38 110.23 2gaq n GLN 85 Ca 0.24 0.27 0.03 0.00 -1.94 0.00 0.00 57.00 55.60 2gaq n GLN 85 Cb 0.80 -1.73 0.41 0.00 0.11 0.00 0.00 30.24 29.84 2gaq n GLN 85 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2gaq h ALA 86 N 0.28 1.66 -0.79 -1.58 0.00 0.01 0.29 119.26 119.14 2gaq h ALA 86 Ca -0.39 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 2gaq h ALA 86 Cb 2.03 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.62 2gaq h ALA 86 CO 0.09 0.29 0.46 2.35 0.00 0.00 0.00 179.25 182.44 2gaq h TRP 87 N 0.54 1.05 -0.32 0.00 2.91 0.01 0.47 115.95 120.61 2gaq h TRP 87 Ca 0.14 -0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.14 2gaq h TRP 87 Cb -0.01 -0.34 -0.01 0.00 -0.51 0.00 0.00 29.16 28.29 2gaq h TRP 87 CO 0.00 0.72 0.17 0.22 -1.03 0.00 0.00 178.44 178.52 2gaq h ASP 88 N 1.08 0.41 0.31 2.65 1.82 -1.03 0.18 116.42 121.84 2gaq h ASP 88 Ca 0.28 -0.10 -0.11 0.00 -0.39 0.00 0.00 57.03 56.71 2gaq h ASP 88 Cb -0.01 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 39.88 2gaq h ASP 88 CO -0.05 0.39 -0.46 -0.07 -1.61 0.00 0.00 179.24 177.45 2gaq h LEU 89 N 0.39 0.20 0.30 2.28 3.38 -0.83 0.39 115.31 121.41 2gaq h LEU 89 Ca 0.11 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2gaq h LEU 89 Cb 0.08 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2gaq h LEU 89 CO -0.02 0.63 -0.14 0.22 0.09 0.00 0.00 178.44 179.22 2gaq h TYR 90 N 0.15 -0.37 -0.08 1.13 5.03 0.68 0.14 116.97 123.66 2gaq h TYR 90 Ca 0.01 -0.01 -0.19 0.00 2.58 0.00 0.00 58.73 61.12 2gaq h TYR 90 Cb 0.87 0.12 0.01 0.00 1.55 0.00 0.00 36.73 39.28 2gaq h TYR 90 CO 0.01 -0.08 -0.68 -0.92 -1.32 0.00 0.00 178.16 175.17 2gaq h TYR 91 N -0.65 0.84 -0.58 -3.82 3.20 -0.51 0.44 116.97 115.89 2gaq h TYR 91 Ca -0.04 -0.40 0.01 0.00 3.14 0.00 0.00 58.73 61.44 2gaq h TYR 91 Cb 0.46 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 2gaq h TYR 91 CO 0.01 1.21 0.39 1.25 -1.64 0.00 0.00 178.16 179.37 2gaq h HIS 92 N 0.23 0.72 0.06 -3.82 2.76 -0.22 -2.31 115.15 112.58 2gaq h HIS 92 Ca -0.06 0.02 -0.31 0.00 -2.20 0.00 0.00 60.37 57.81 2gaq h HIS 92 Cb 1.34 -0.24 -0.03 0.00 1.55 0.00 0.00 27.41 30.02 2gaq h HIS 92 CO 0.11 0.45 -1.74 -0.24 -1.30 0.00 0.00 177.93 175.20 2gaq h VAL 93 N 0.77 0.86 -1.67 5.26 3.04 -0.71 -3.22 116.25 120.58 2gaq h VAL 93 Ca 0.22 -2.63 0.51 0.00 -1.01 0.00 0.00 66.70 63.80 2gaq h VAL 93 Cb -0.05 2.52 -0.10 0.00 -2.01 0.00 0.00 31.29 31.65 2gaq h VAL 93 CO -0.05 0.69 1.15 0.15 -1.01 0.00 0.00 177.57 178.51 2gaq h PHE 94 N 0.04 0.23 0.04 3.17 3.04 0.47 0.43 116.94 124.36 2gaq h PHE 94 Ca -0.31 0.01 -0.34 0.00 3.98 0.00 0.00 57.97 61.31 2gaq h PHE 94 Cb 2.01 -0.05 -0.04 0.00 2.56 0.00 0.00 35.95 40.42 2gaq h PHE 94 CO 0.04 -0.12 -1.99 0.54 -2.02 0.00 0.00 178.31 174.76 2gaq n ARG 95 N -4.30 0.68 0.16 1.11 1.74 -1.17 -3.86 116.66 111.03 2gaq n ARG 95 Ca 0.41 0.23 -0.07 0.00 -0.77 0.00 0.00 57.85 57.65 2gaq n ARG 95 Cb 1.76 -1.70 -0.03 0.00 -1.02 0.00 0.00 32.46 31.48 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 0.02 -0.42 0.00 5.56 2.47 -0.55 -2.23 114.38 119.24 2gaq h ARG 96 Ca -0.40 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.35 2gaq h ARG 96 Cb 2.04 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 30.46 2gaq h ARG 96 CO 0.06 -0.28 0.00 -0.84 0.56 0.00 0.00 179.97 179.47 2gaq h ILE 97 N -0.62 0.00 0.24 2.04 -0.00 -0.62 -2.22 117.51 116.34 2gaq h ILE 97 Ca -0.04 -0.14 -0.01 0.00 -0.00 0.00 0.00 64.86 64.66 2gaq h ILE 97 Cb 0.33 0.87 0.00 0.00 -0.00 0.00 0.00 36.82 38.02 2gaq h ILE 97 CO 0.07 0.00 -0.12 -1.28 -0.00 0.00 0.00 178.15 176.83 2gaq h SER 98 N 0.00 -0.28 -5.15 2.16 0.87 -1.57 -3.46 113.55 106.12 2gaq h SER 98 Ca 0.00 -0.18 -0.36 0.00 -1.23 0.00 0.00 61.79 60.02 2gaq h SER 98 Cb 0.18 0.07 0.12 0.00 -0.44 0.00 0.00 62.40 62.33 2gaq h SER 98 CO 0.00 0.04 -0.60 0.29 -0.53 0.00 0.00 176.83 176.04 2gaq n LYS 99 N -5.11 -6.79 0.00 2.24 4.76 -0.84 -5.06 118.16 107.37 2gaq n LYS 99 Ca -0.09 0.75 0.01 0.00 -2.87 0.00 0.00 58.31 56.11 2gaq n LYS 99 Cb 0.24 -5.51 0.08 0.00 -1.84 0.00 0.00 35.03 28.00 2gaq n LYS 99 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97