#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gaq n LEU 2 N 0.00 -0.39 0.00 -1.84 4.77 -1.26 -0.22 117.00 118.06 2gaq n LEU 2 Ca 0.00 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.12 2gaq n LEU 2 Cb 0.00 -1.05 0.00 0.00 -2.33 0.00 0.00 43.42 40.04 2gaq n LEU 2 CO 0.00 -2.55 0.00 0.00 -1.33 0.00 0.00 177.39 173.51 2gaq n ILE 3 N 0.05 0.00 0.01 -0.08 0.00 -1.26 -4.69 119.36 113.40 2gaq n ILE 3 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.91 2gaq n ILE 3 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 39.64 39.91 2gaq n ILE 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2gaq n ARG 4 N -2.00 0.00 -0.03 9.51 1.74 -0.22 -4.90 116.66 120.76 2gaq n ARG 4 Ca 0.00 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.93 2gaq n ARG 4 Cb 0.00 -0.16 -0.11 0.00 -1.02 0.00 0.00 32.46 31.17 2gaq n ARG 4 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 2gaq h VAL 5 N 0.00 1.51 -4.58 1.55 3.04 -0.87 -3.47 116.25 113.42 2gaq h VAL 5 Ca 0.00 -1.85 -0.01 0.00 -1.01 0.00 0.00 66.70 63.83 2gaq h VAL 5 Cb 0.29 2.62 0.01 0.00 -2.01 0.00 0.00 31.29 32.21 2gaq h VAL 5 CO 0.00 0.51 -0.04 0.00 -1.01 0.00 0.00 177.57 177.03 2gaq n ALA 6 N -2.52 -2.14 -0.34 3.17 0.00 -1.26 -4.92 120.51 112.50 2gaq n ALA 6 Ca -0.09 0.01 0.10 0.00 0.00 0.00 0.00 53.44 53.45 2gaq n ALA 6 Cb 0.49 -1.23 0.21 0.00 0.00 0.00 0.00 19.45 18.92 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 0.23 0.04 0.00 0.00 -0.00 -1.95 -3.41 117.51 112.42 2gaq h ILE 7 Ca -0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.83 2gaq h ILE 7 Cb 1.02 0.03 0.00 0.00 -0.00 0.00 0.00 36.82 37.87 2gaq h ILE 7 CO 0.21 0.00 0.00 0.18 -0.00 0.00 0.00 178.15 178.54 2gaq n LEU 8 N -5.54 0.00 0.00 2.19 4.77 -1.26 -2.89 117.00 114.26 2gaq n LEU 8 Ca 0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 2gaq n LEU 8 Cb 0.62 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 2gaq n LEU 8 CO -0.08 0.00 0.15 0.79 -1.33 0.00 0.00 177.39 176.92 2gaq n TRP 9 N 8.35 0.00 0.01 -1.77 8.01 -1.26 -4.58 117.44 126.20 2gaq n TRP 9 Ca 0.00 0.00 -0.18 0.00 -1.31 0.00 0.00 57.50 56.01 2gaq n TRP 9 Cb 0.00 0.00 -0.14 0.00 -2.01 0.00 0.00 31.31 29.16 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 0.36 -0.47 -5.99 -0.00 -1.89 -2.50 115.15 104.66 2gaq h HIS 10 Ca 0.00 -0.27 -0.12 0.00 -0.00 0.00 0.00 60.37 59.99 2gaq h HIS 10 Cb 0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.39 2gaq h HIS 10 CO 0.00 1.21 -0.16 0.93 -0.00 0.00 0.00 177.93 179.91 2gaq h GLU 11 N -0.58 0.95 0.00 5.26 4.39 -1.76 -0.58 114.58 122.26 2gaq h GLU 11 Ca -0.09 -0.38 -0.06 0.00 0.34 0.00 0.00 59.36 59.16 2gaq h GLU 11 Cb 1.43 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 30.03 2gaq h GLU 11 CO 0.10 1.05 -0.27 0.00 -1.16 0.00 0.00 179.01 178.72 2gaq h MET 12 N 0.79 0.00 -0.11 2.33 -0.00 -1.69 -2.53 114.93 113.73 2gaq h MET 12 Ca 0.11 0.00 -0.14 0.00 -0.00 0.00 0.00 59.70 59.67 2gaq h MET 12 Cb 0.73 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.31 2gaq h MET 12 CO 0.06 0.27 -0.54 -1.49 -0.00 0.00 0.00 176.91 175.21 2gaq h TRP 13 N 0.00 0.40 -0.39 -0.10 -0.00 -0.66 0.72 115.95 115.92 2gaq h TRP 13 Ca -0.00 -0.14 0.08 0.00 -0.00 0.00 0.00 58.89 58.83 2gaq h TRP 13 Cb 0.54 -0.08 -0.09 0.00 -0.00 0.00 0.00 29.16 29.54 2gaq h TRP 13 CO 0.00 0.80 -0.24 0.45 -0.00 0.00 0.00 178.44 179.45 2gaq h HIS 14 N 0.25 -0.62 0.03 0.49 3.86 -0.86 0.27 115.15 118.57 2gaq h HIS 14 Ca 0.00 0.05 -0.32 0.00 -1.16 0.00 0.00 60.37 58.94 2gaq h HIS 14 Cb 1.03 0.33 -0.05 0.00 1.06 0.00 0.00 27.41 29.79 2gaq h HIS 14 CO 0.03 -0.32 -1.88 -0.85 0.86 0.00 0.00 177.93 175.77 2gaq n GLU 15 N -5.39 0.67 0.25 2.45 -0.00 -1.23 -3.54 120.64 113.85 2gaq n GLU 15 Ca 0.02 0.25 0.08 0.00 -0.00 0.00 0.00 57.16 57.51 2gaq n GLU 15 Cb 0.31 -1.73 0.64 0.00 -0.00 0.00 0.00 31.44 30.65 2gaq n GLU 15 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 2gaq h GLY 16 N 2.97 0.00 1.55 -1.84 0.00 0.91 0.62 103.07 107.28 2gaq h GLY 16 Ca -0.36 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.72 2gaq h GLY 16 CO 0.07 0.00 -1.08 1.41 0.00 0.00 0.00 176.54 176.94 2gaq h LEU 17 N 0.00 0.52 -0.16 3.11 3.38 -0.63 -3.20 115.31 118.34 2gaq h LEU 17 Ca -0.00 -0.47 -0.13 0.00 0.09 0.00 0.00 57.88 57.37 2gaq h LEU 17 Cb 0.14 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2gaq h LEU 17 CO 0.01 1.30 -0.42 -0.08 0.09 0.00 0.00 178.44 179.35 2gaq h GLU 18 N 0.17 0.56 0.00 1.13 4.81 -0.92 1.02 114.58 121.36 2gaq h GLU 18 Ca -0.11 -0.39 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2gaq h GLU 18 Cb 1.75 0.06 0.00 0.00 0.63 0.00 0.00 28.75 31.19 2gaq h GLU 18 CO 0.18 1.01 0.00 -1.91 -0.73 0.00 0.00 179.01 177.57 2gaq n GLU 19 N -4.26 0.31 0.01 1.92 4.07 0.19 -0.39 120.64 122.50 2gaq n GLU 19 Ca -0.07 0.07 -0.02 0.00 -0.06 0.00 0.00 57.16 57.08 2gaq n GLU 19 Cb 0.55 -1.50 -0.01 0.00 -0.06 0.00 0.00 31.44 30.42 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 -1.11 2.46 0.05 4.31 0.00 -0.79 -4.44 120.51 120.99 2gaq n ALA 20 Ca 0.08 -0.21 0.10 0.00 0.00 0.00 0.00 53.44 53.41 2gaq n ALA 20 Cb 0.07 0.19 0.55 0.00 0.00 0.00 0.00 19.45 20.26 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 -0.25 0.23 -0.11 0.00 4.64 0.11 0.08 113.55 118.26 2gaq h SER 21 Ca 0.00 -0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 2gaq h SER 21 Cb 0.25 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2gaq h SER 21 CO 0.00 0.15 -0.63 -0.09 -0.87 0.00 0.00 176.83 175.40 2gaq h ARG 22 N 0.27 0.72 0.00 4.77 2.43 -0.87 1.00 114.38 122.69 2gaq h ARG 22 Ca 0.16 -0.50 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 2gaq h ARG 22 Cb 0.29 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2gaq h ARG 22 CO -0.03 1.12 0.00 -0.07 -1.51 0.00 0.00 179.97 179.48 2gaq h LEU 23 N 0.53 0.00 0.00 3.80 -0.00 -1.16 -2.28 115.31 116.20 2gaq h LEU 23 Ca -0.01 0.00 -0.23 0.00 -0.00 0.00 0.00 57.88 57.64 2gaq h LEU 23 Cb 1.22 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.84 2gaq h LEU 23 CO 0.13 0.00 -1.88 0.00 -0.00 0.00 0.00 178.44 176.69 2gaq n TYR 24 N -2.34 0.00 -0.13 1.13 9.36 -0.99 -0.38 117.16 123.81 2gaq n TYR 24 Ca -0.01 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.15 2gaq n TYR 24 Cb 0.07 -0.60 0.00 0.00 -0.63 0.00 0.00 39.34 38.18 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 -0.72 -0.04 2.98 3.57 0.16 -3.33 116.94 119.57 2gaq h PHE 25 Ca -0.35 0.05 -0.16 0.00 3.53 0.00 0.00 57.97 61.05 2gaq h PHE 25 Cb 1.56 0.38 -0.22 0.00 2.79 0.00 0.00 35.95 40.46 2gaq h PHE 25 CO 0.02 -0.34 -0.54 0.41 -2.23 0.00 0.00 178.31 175.63 2gaq n GLY 26 N -1.41 1.01 0.00 2.40 0.00 -1.13 -4.91 105.19 101.15 2gaq n GLY 26 Ca 0.02 -0.33 0.02 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.22 2.65 -2.81 1.61 4.07 -1.15 -5.01 120.64 119.78 2gaq n GLU 27 Ca -0.15 -0.02 -0.10 0.00 -0.06 0.00 0.00 57.16 56.82 2gaq n GLU 27 Cb 0.85 -0.94 -0.01 0.00 -0.06 0.00 0.00 31.44 31.28 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 -1.41 -2.64 -3.35 5.31 1.74 -1.13 -4.84 116.66 110.34 2gaq n ARG 28 Ca -0.00 0.21 -0.26 0.00 -0.77 0.00 0.00 57.85 57.03 2gaq n ARG 28 Cb 0.11 -4.77 -0.08 0.00 -1.02 0.00 0.00 32.46 26.70 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 -1.77 2.73 0.16 0.55 4.05 0.49 -4.86 115.26 116.60 2gaq n ASN 29 Ca -0.02 -3.23 0.16 0.00 0.45 0.00 0.00 54.58 51.94 2gaq n ASN 29 Cb 0.53 -0.66 0.76 0.00 1.23 0.00 0.00 39.78 41.63 2gaq n ASN 29 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 177.26 174.79 2gaq h VAL 30 N 2.82 0.64 -0.65 3.44 2.07 -1.89 0.62 116.25 123.30 2gaq h VAL 30 Ca 0.16 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.70 2gaq h VAL 30 Cb 0.72 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 2gaq h VAL 30 CO 0.73 0.00 0.42 0.50 0.02 0.00 0.00 177.57 179.23 2gaq h LYS 31 N 0.00 0.81 0.36 1.57 3.11 -1.90 -1.48 116.57 119.04 2gaq h LYS 31 Ca 0.12 -0.05 -0.02 0.00 -2.81 0.00 0.00 60.65 57.89 2gaq h LYS 31 Cb 0.54 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 31.59 2gaq h LYS 31 CO -0.00 0.54 -0.17 0.78 -2.81 0.00 0.00 179.45 177.78 2gaq h GLY 32 N 0.83 -0.51 0.61 5.01 0.00 -1.22 -2.88 103.07 104.92 2gaq h GLY 32 Ca 0.25 0.19 0.17 0.00 0.00 0.00 0.00 47.33 47.94 2gaq h GLY 32 CO -0.08 -0.19 0.51 0.00 0.00 0.00 0.00 176.54 176.79 2gaq h MET 33 N -0.69 0.28 0.00 4.80 -0.00 -1.49 0.14 114.93 117.97 2gaq h MET 33 Ca -0.05 -0.02 -0.01 0.00 -0.00 0.00 0.00 59.70 59.63 2gaq h MET 33 Cb 0.49 -0.06 -0.00 0.00 -0.00 0.00 0.00 31.60 32.02 2gaq h MET 33 CO 0.08 0.19 -0.04 0.35 -0.00 0.00 0.00 176.91 177.49 2gaq h PHE 34 N 0.29 0.00 0.03 -0.10 3.57 -1.05 0.34 116.94 120.02 2gaq h PHE 34 Ca 0.37 0.00 -0.25 0.00 3.53 0.00 0.00 57.97 61.62 2gaq h PHE 34 Cb 1.03 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.75 2gaq h PHE 34 CO -0.00 0.04 -1.27 1.49 -2.23 0.00 0.00 178.31 176.34 2gaq h GLU 35 N 0.00 0.06 0.04 1.11 4.57 -0.66 -0.59 114.58 119.12 2gaq h GLU 35 Ca -0.00 -0.10 -0.31 0.00 -1.18 0.00 0.00 59.36 57.77 2gaq h GLU 35 Cb 0.10 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.69 2gaq h GLU 35 CO 0.01 0.91 -1.75 -0.24 -1.18 0.00 0.00 179.01 176.76 2gaq h VAL 36 N 0.02 0.84 0.00 0.32 3.04 -1.36 -3.35 116.25 115.76 2gaq h VAL 36 Ca -0.12 -2.64 -0.11 0.00 -1.01 0.00 0.00 66.70 62.82 2gaq h VAL 36 Cb 1.88 2.48 -0.02 0.00 -2.01 0.00 0.00 31.29 33.63 2gaq h VAL 36 CO 0.13 0.64 -0.52 -0.07 -1.01 0.00 0.00 177.57 176.74 2gaq h LEU 37 N 0.02 0.00 -0.34 3.16 -0.00 -0.47 -3.00 115.31 114.68 2gaq h LEU 37 Ca -0.31 0.00 0.07 0.00 -0.00 0.00 0.00 57.88 57.64 2gaq h LEU 37 Cb 2.01 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 42.59 2gaq h LEU 37 CO 0.09 0.52 -0.32 -0.33 -0.00 0.00 0.00 178.44 178.39 2gaq h GLU 38 N 0.00 -0.27 -0.13 1.13 4.39 -1.22 0.58 114.58 119.05 2gaq h GLU 38 Ca -0.01 0.02 -0.21 0.00 0.34 0.00 0.00 59.36 59.51 2gaq h GLU 38 Cb 1.20 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 2gaq h GLU 38 CO 0.07 -0.18 -0.75 -1.00 -1.16 0.00 0.00 179.01 175.99 2gaq h PRO 39 N -0.28 0.64 0.00 2.33 0.13 -1.74 -2.96 132.00 130.12 2gaq h PRO 39 Ca 0.16 -0.51 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2gaq h PRO 39 Cb 0.54 0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.77 2gaq h PRO 39 CO -0.50 1.13 0.00 -0.07 -0.23 0.00 0.00 178.00 178.34 2gaq h LEU 40 N 0.44 0.00 0.18 1.56 3.38 -1.24 0.69 115.31 120.31 2gaq h LEU 40 Ca -0.04 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.63 2gaq h LEU 40 Cb 1.35 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.12 2gaq h LEU 40 CO 0.14 0.00 -1.34 -0.74 0.09 0.00 0.00 178.44 176.60 2gaq h HIS 41 N 0.00 0.71 0.16 1.13 6.17 0.25 -3.11 115.15 120.46 2gaq h HIS 41 Ca 0.00 -0.51 -0.36 0.00 0.71 0.00 0.00 60.37 60.21 2gaq h HIS 41 Cb 0.16 -0.03 -0.00 0.00 2.52 0.00 0.00 27.41 30.06 2gaq h HIS 41 CO 0.00 1.40 -1.84 0.00 0.71 0.00 0.00 177.93 178.20 2gaq h ALA 42 N 0.41 0.26 0.00 5.26 0.00 -0.96 -3.00 119.26 121.23 2gaq h ALA 42 Ca -0.18 -1.24 0.00 0.00 0.00 0.00 0.00 54.91 53.49 2gaq h ALA 42 Cb 2.05 0.56 0.00 0.00 0.00 0.00 0.00 17.79 20.39 2gaq h ALA 42 CO 0.23 1.13 0.00 -1.33 0.00 0.00 0.00 179.25 179.28 2gaq n MET 43 N -3.57 0.00 -0.01 0.00 2.00 0.22 -0.40 117.12 115.37 2gaq n MET 43 Ca -0.28 0.30 0.09 0.00 0.00 0.00 0.00 57.70 57.81 2gaq n MET 43 Cb 1.06 -1.50 -0.14 0.00 0.00 0.00 0.00 33.22 32.64 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 -1.50 0.65 -0.09 0.03 0.00 -1.17 -4.69 117.12 110.36 2gaq n MET 44 Ca 0.03 -0.14 -0.11 0.00 0.00 0.00 0.00 57.70 57.48 2gaq n MET 44 Cb 0.14 -1.43 -0.15 0.00 0.00 0.00 0.00 33.22 31.78 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 -2.01 0.68 -0.22 3.17 0.00 -0.48 -4.36 120.64 117.42 2gaq n GLU 45 Ca -0.02 0.07 0.27 0.00 0.00 0.00 0.00 57.16 57.48 2gaq n GLU 45 Cb 0.45 -1.57 0.67 0.00 0.00 0.00 0.00 31.44 30.99 2gaq n GLU 45 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 2gaq h ARG 46 N 0.00 0.10 0.00 5.31 2.43 -1.00 -3.47 114.38 117.75 2gaq h ARG 46 Ca -0.51 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 2gaq h ARG 46 Cb 2.15 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.68 2gaq h ARG 46 CO 0.02 0.07 0.00 0.41 -1.51 0.00 0.00 179.97 178.96 2gaq n GLY 47 N -1.67 2.53 3.76 2.80 0.00 -1.26 -5.03 105.19 106.32 2gaq n GLY 47 Ca 0.20 -1.77 -0.38 0.00 0.00 0.00 0.00 46.02 44.06 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 -3.82 3.66 0.00 1.61 0.04 -1.26 -5.02 135.00 130.20 2gaq s PRO 48 Ca 0.00 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.03 2gaq s PRO 48 Cb 0.00 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 32.07 2gaq s PRO 48 CO 0.00 -0.70 0.00 0.94 0.04 0.00 0.00 177.00 177.28 2gaq n GLN 49 N -0.45 0.00 0.00 4.56 -0.06 -1.26 -4.94 117.38 115.23 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 0.46 -0.22 0.00 0.00 -4.06 0.00 0.00 30.24 26.42 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 -0.37 0.00 0.00 1.69 5.66 -1.26 -4.99 114.28 115.01 2gaq n THR 50 Ca 0.00 0.18 0.00 0.00 -3.05 0.00 0.00 64.05 61.18 2gaq n THR 50 Cb 0.00 -1.06 0.00 0.00 -1.55 0.00 0.00 70.33 67.72 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 -5.02 117.00 119.74 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 -0.42 0.29 -1.11 0.00 0.00 177.39 176.15 2gaq n LYS 52 N 0.00 0.00 -0.99 1.96 5.02 -1.26 -4.80 118.16 118.09 2gaq n LYS 52 Ca 0.00 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.02 2gaq n LYS 52 Cb 0.00 -0.72 -0.04 0.00 -0.02 0.00 0.00 35.03 34.24 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 -2.57 2.69 -2.26 1.97 0.28 -1.26 -3.81 120.64 115.69 2gaq n GLU 53 Ca 0.00 -1.66 -0.03 0.00 -0.16 0.00 0.00 57.16 55.31 2gaq n GLU 53 Cb 0.42 -2.50 0.08 0.00 1.43 0.00 0.00 31.44 30.86 2gaq n GLU 53 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2gaq n THR 54 N 3.66 0.03 -0.73 3.84 -1.04 -1.26 -4.59 114.28 114.19 2gaq n THR 54 Ca 0.57 -0.80 0.07 0.00 -2.04 0.00 0.00 64.05 61.85 2gaq n THR 54 Cb 0.28 0.89 0.11 0.00 -1.82 0.00 0.00 70.33 69.78 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 -1.14 2.34 0.00 8.00 7.64 -1.25 -4.22 113.62 124.98 2gaq n SER 55 Ca -0.20 -2.74 0.00 0.00 1.01 0.00 0.00 58.87 56.94 2gaq n SER 55 Cb 0.84 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 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 -1.07 0.00 0.17 1.43 -1.74 -1.26 -4.32 117.46 110.66 2gaq n PHE 56 Ca 0.11 0.00 0.04 0.00 -0.56 0.00 0.00 57.45 57.05 2gaq n PHE 56 Cb 0.53 0.24 0.20 0.00 1.52 0.00 0.00 39.48 41.97 2gaq n PHE 56 CO 0.00 0.00 0.00 -2.95 -0.56 0.00 0.00 176.76 173.25 2gaq h ASN 57 N 0.00 0.00 0.00 5.98 -1.07 -1.84 -0.64 115.58 118.01 2gaq h ASN 57 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 56.30 56.18 2gaq h ASN 57 Cb 0.49 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.70 2gaq h ASN 57 CO 0.00 0.43 -2.14 1.67 0.07 0.00 0.00 177.43 177.46 2gaq n GLN 58 N -3.36 0.77 0.07 4.14 -0.06 -1.26 -3.21 117.38 114.46 2gaq n GLN 58 Ca 0.01 -0.09 -0.17 0.00 -2.00 0.00 0.00 57.00 54.74 2gaq n GLN 58 Cb 0.61 -1.49 -0.14 0.00 -4.06 0.00 0.00 30.24 25.16 2gaq n GLN 58 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2gaq h ALA 59 N 1.37 0.24 -2.13 1.69 0.00 -1.75 -3.41 119.26 115.27 2gaq h ALA 59 Ca -0.28 -1.09 -0.57 0.00 0.00 0.00 0.00 54.91 52.97 2gaq h ALA 59 Cb 1.61 0.27 -0.39 0.00 0.00 0.00 0.00 17.79 19.28 2gaq h ALA 59 CO 0.02 1.11 -1.01 0.66 0.00 0.00 0.00 179.25 180.03 2gaq n TYR 60 N -3.47 0.08 0.08 0.00 4.01 -0.25 -4.94 117.16 112.67 2gaq n TYR 60 Ca -0.16 -3.60 0.02 0.00 -0.16 0.00 0.00 57.90 53.99 2gaq n TYR 60 Cb 1.05 -0.26 0.36 0.00 -0.31 0.00 0.00 39.34 40.18 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 4.39 0.37 2.00 2.72 0.00 -1.71 -1.38 103.07 109.45 2gaq h GLY 61 Ca 0.13 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.24 2gaq h GLY 61 CO 0.49 0.20 0.00 0.54 0.00 0.00 0.00 176.54 177.77 2gaq n ARG 62 N -4.29 0.17 0.00 4.80 3.00 -1.26 -2.11 116.66 116.97 2gaq n ARG 62 Ca 0.00 0.15 0.00 0.00 -0.01 0.00 0.00 57.85 57.99 2gaq n ARG 62 Cb 0.25 -1.70 0.00 0.00 0.00 0.00 0.00 32.46 31.01 2gaq n ARG 62 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2gaq n ASP 63 N -2.00 0.00 -0.18 0.55 -0.08 -0.52 -4.38 116.55 109.94 2gaq n ASP 63 Ca 0.06 0.00 0.11 0.00 -1.51 0.00 0.00 54.79 53.44 2gaq n ASP 63 Cb 0.39 0.00 0.20 0.00 2.34 0.00 0.00 41.12 44.05 2gaq n ASP 63 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 2gaq n LEU 64 N 0.00 0.01 -0.25 -2.67 7.94 -1.26 -0.32 117.00 120.45 2gaq n LEU 64 Ca 0.00 0.88 0.05 0.00 -1.11 0.00 0.00 56.01 55.83 2gaq n LEU 64 Cb 0.00 -0.35 0.17 0.00 0.53 0.00 0.00 43.42 43.76 2gaq n LEU 64 CO 0.00 -0.92 0.86 0.24 -1.11 0.00 0.00 177.39 176.46 2gaq h MET 65 N 0.00 0.14 0.03 1.96 2.86 -1.73 0.39 114.93 118.58 2gaq h MET 65 Ca 0.36 -0.01 -0.31 0.00 -2.06 0.00 0.00 59.70 57.67 2gaq h MET 65 Cb 0.81 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.40 2gaq h MET 65 CO -0.46 0.09 -1.82 -1.91 1.06 0.00 0.00 176.91 173.87 2gaq n GLU 66 N -5.29 0.66 0.26 1.72 2.13 0.56 -1.21 120.64 119.47 2gaq n GLU 66 Ca 0.14 0.27 0.18 0.00 0.66 0.00 0.00 57.16 58.41 2gaq n GLU 66 Cb 0.48 -1.76 0.91 0.00 0.27 0.00 0.00 31.44 31.34 2gaq n GLU 66 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2gaq h ALA 67 N 0.79 1.56 0.00 4.31 0.00 0.11 -2.74 119.26 123.30 2gaq h ALA 67 Ca -0.33 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.32 2gaq h ALA 67 Cb 2.03 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.78 2gaq h ALA 67 CO 0.08 -0.21 -1.96 0.94 0.00 0.00 0.00 179.25 178.10 2gaq n GLN 68 N -3.56 0.81 -0.05 0.00 -0.06 0.13 -4.62 117.38 110.03 2gaq n GLN 68 Ca -0.00 0.07 0.25 0.00 -2.00 0.00 0.00 57.00 55.31 2gaq n GLN 68 Cb 0.26 -1.34 0.69 0.00 -4.06 0.00 0.00 30.24 25.78 2gaq n GLN 68 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 2gaq h GLU 69 N 0.00 0.00 -2.52 3.69 4.81 -0.85 -1.85 114.58 117.87 2gaq h GLU 69 Ca -0.38 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.68 2gaq h GLU 69 Cb 1.65 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.00 2gaq h GLU 69 CO -0.04 0.00 0.41 0.91 -0.73 0.00 0.00 179.01 179.57 2gaq n TRP 70 N -3.73 0.26 0.02 0.92 7.02 -1.18 -4.33 117.44 116.42 2gaq n TRP 70 Ca 0.14 -1.18 -0.19 0.00 -1.02 0.00 0.00 57.50 55.25 2gaq n TRP 70 Cb 0.91 -1.29 -0.10 0.00 -2.42 0.00 0.00 31.31 28.41 2gaq n TRP 70 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2gaq n ARG 72 N -3.95 0.41 -0.04 0.00 -4.01 -1.26 -0.17 116.66 107.63 2gaq n ARG 72 Ca -0.10 0.04 -0.08 0.00 -1.04 0.00 0.00 57.85 56.67 2gaq n ARG 72 Cb 0.81 -1.50 -0.03 0.00 -3.04 0.00 0.00 32.46 28.70 2gaq n ARG 72 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22 2gaq n LYS 73 N -1.08 0.19 0.14 2.89 4.76 -1.02 -3.88 118.16 120.16 2gaq n LYS 73 Ca 0.10 0.07 0.13 0.00 -2.87 0.00 0.00 58.31 55.74 2gaq n LYS 73 Cb 0.07 -0.93 0.39 0.00 -1.84 0.00 0.00 35.03 32.71 2gaq n LYS 73 CO 0.00 0.00 0.00 0.10 -1.37 0.00 0.00 177.40 176.13 2gaq h TYR 74 N -0.20 0.00 0.00 2.13 -0.00 -0.07 0.29 116.97 119.12 2gaq h TYR 74 Ca -0.20 0.00 -0.12 0.00 -0.00 0.00 0.00 58.73 58.40 2gaq h TYR 74 Cb 1.22 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.93 2gaq h TYR 74 CO -0.01 0.00 -1.73 -0.12 -0.00 0.00 0.00 178.16 176.29 2gaq n MET 75 N -2.48 1.28 -0.11 0.10 1.56 0.76 -3.59 117.12 114.65 2gaq n MET 75 Ca 0.04 -0.06 -0.22 0.00 -0.27 0.00 0.00 57.70 57.20 2gaq n MET 75 Cb 0.41 -1.31 -0.08 0.00 2.15 0.00 0.00 33.22 34.39 2gaq n MET 75 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41 2gaq n LYS 76 N -2.23 0.46 0.05 2.12 4.81 -1.25 -4.65 118.16 117.47 2gaq n LYS 76 Ca -0.12 0.19 -0.12 0.00 -0.87 0.00 0.00 58.31 57.39 2gaq n LYS 76 Cb 0.65 -1.28 -0.13 0.00 0.02 0.00 0.00 35.03 34.28 2gaq n LYS 76 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2gaq h SER 77 N -0.65 0.20 -2.77 3.14 0.87 -1.37 -3.48 113.55 109.49 2gaq h SER 77 Ca -0.53 -0.26 -0.21 0.00 -1.23 0.00 0.00 61.79 59.55 2gaq h SER 77 Cb 1.51 -0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 63.36 2gaq h SER 77 CO -0.29 1.22 -0.23 0.61 -0.53 0.00 0.00 176.83 177.60 2gaq n GLY 78 N 1.54 0.24 3.68 5.77 0.00 0.89 -4.86 105.19 112.44 2gaq n GLY 78 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.96 7.13 0.64 1.61 3.84 -1.25 -4.89 114.94 120.06 2gaq s ASN 79 Ca 0.00 1.64 0.30 0.00 0.21 0.00 0.00 52.86 55.01 2gaq s ASN 79 Cb 0.00 -2.55 1.62 0.00 -0.55 0.00 0.00 41.25 39.76 2gaq s ASN 79 CO 0.00 -0.55 1.94 0.58 -2.79 0.00 0.00 177.10 176.28 2gaq h VAL 80 N 5.13 0.12 -0.32 -5.21 2.07 -1.96 0.19 116.25 116.27 2gaq h VAL 80 Ca -0.31 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.31 2gaq h VAL 80 Cb 1.14 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 2gaq h VAL 80 CO 0.89 0.00 0.48 0.11 0.02 0.00 0.00 177.57 179.07 2gaq h LYS 81 N 0.00 0.00 0.08 1.57 1.79 -1.99 0.70 116.57 118.71 2gaq h LYS 81 Ca 0.06 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.18 2gaq h LYS 81 Cb 0.75 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.37 2gaq h LYS 81 CO -0.00 0.00 -1.99 -3.47 -1.08 0.00 0.00 179.45 172.91 2gaq n ASP 82 N -3.40 1.73 -0.07 0.86 2.03 0.65 -4.21 116.55 114.14 2gaq n ASP 82 Ca 0.05 0.22 -0.12 0.00 0.52 0.00 0.00 54.79 55.46 2gaq n ASP 82 Cb 0.62 -0.56 0.01 0.00 -0.72 0.00 0.00 41.12 40.47 2gaq n ASP 82 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2gaq h LEU 83 N 0.05 0.86 -1.82 -2.67 7.12 -0.74 0.15 115.31 118.26 2gaq h LEU 83 Ca -0.41 -0.43 0.18 0.00 0.13 0.00 0.00 57.88 57.35 2gaq h LEU 83 Cb 2.03 -0.25 -0.04 0.00 -0.53 0.00 0.00 40.66 41.87 2gaq h LEU 83 CO 0.07 1.20 0.50 0.00 -0.13 0.00 0.00 178.44 180.07 2gaq h THR 84 N 0.63 0.70 0.15 1.05 1.03 0.04 0.56 112.91 117.07 2gaq h THR 84 Ca 0.03 -0.06 -0.36 0.00 -0.01 0.00 0.00 66.41 66.02 2gaq h THR 84 Cb 1.05 0.52 -0.01 0.00 -1.07 0.00 0.00 68.15 68.65 2gaq h THR 84 CO 0.10 0.03 -1.89 1.56 -0.01 0.00 0.00 175.52 175.32 2gaq h GLN 85 N 0.17 0.31 -0.30 0.00 7.50 -1.62 -3.18 115.11 117.99 2gaq h GLN 85 Ca 0.35 -0.53 -0.01 0.00 0.50 0.00 0.00 58.65 58.96 2gaq h GLN 85 Cb 1.14 0.20 -0.02 0.00 0.05 0.00 0.00 27.48 28.85 2gaq h GLN 85 CO -0.06 1.25 0.14 0.00 -1.50 0.00 0.00 178.83 178.66 2gaq h ALA 86 N 0.07 1.68 -0.51 3.87 0.00 0.43 0.39 119.26 125.19 2gaq h ALA 86 Ca -0.39 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.33 2gaq h ALA 86 Cb 2.04 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.69 2gaq h ALA 86 CO 0.12 0.26 -0.13 2.35 0.00 0.00 0.00 179.25 181.84 2gaq h TRP 87 N 0.41 1.10 0.36 0.00 2.91 -0.05 0.62 115.95 121.31 2gaq h TRP 87 Ca 0.11 -0.23 -0.02 0.00 1.13 0.00 0.00 58.89 59.88 2gaq h TRP 87 Cb 0.06 -0.27 0.00 0.00 -0.51 0.00 0.00 29.16 28.44 2gaq h TRP 87 CO 0.00 1.04 -0.17 0.22 -1.03 0.00 0.00 178.44 178.50 2gaq h ASP 88 N 0.87 -0.41 -0.26 2.65 1.82 -1.10 0.33 116.42 120.31 2gaq h ASP 88 Ca 0.13 -0.07 -0.07 0.00 -0.39 0.00 0.00 57.03 56.63 2gaq h ASP 88 Cb 0.69 0.11 -0.02 0.00 0.68 0.00 0.00 39.33 40.79 2gaq h ASP 88 CO 0.05 -0.18 -0.05 -0.07 -1.61 0.00 0.00 179.24 177.38 2gaq h LEU 89 N -0.63 0.60 -0.20 2.28 3.38 -0.50 0.75 115.31 120.99 2gaq h LEU 89 Ca -0.05 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 2gaq h LEU 89 Cb 0.46 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2gaq h LEU 89 CO 0.08 0.71 -0.04 1.88 0.09 0.00 0.00 178.44 181.16 2gaq h TYR 90 N 0.59 0.43 -0.09 1.13 -1.99 0.42 0.32 116.97 117.78 2gaq h TYR 90 Ca 0.11 -0.09 -0.18 0.00 2.00 0.00 0.00 58.73 60.57 2gaq h TYR 90 Cb 0.45 -0.11 0.01 0.00 2.00 0.00 0.00 36.73 39.09 2gaq h TYR 90 CO 0.02 0.63 -0.64 -0.92 -0.00 0.00 0.00 178.16 177.24 2gaq h TYR 91 N 0.11 0.83 -0.58 4.88 3.20 -0.06 0.20 116.97 125.54 2gaq h TYR 91 Ca 0.05 -0.38 -0.04 0.00 3.14 0.00 0.00 58.73 61.49 2gaq h TYR 91 Cb 0.49 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.61 2gaq h TYR 91 CO 0.05 1.19 0.19 1.25 -1.64 0.00 0.00 178.16 179.20 2gaq h HIS 92 N 0.23 0.89 0.00 -3.82 2.76 0.60 -2.51 115.15 113.30 2gaq h HIS 92 Ca -0.05 -0.07 -0.05 0.00 -2.20 0.00 0.00 60.37 58.00 2gaq h HIS 92 Cb 1.30 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.98 2gaq h HIS 92 CO 0.11 0.71 -0.69 -0.24 -1.30 0.00 0.00 177.93 176.52 2gaq h VAL 93 N 0.85 0.24 -0.97 5.26 3.04 -0.37 -3.29 116.25 121.01 2gaq h VAL 93 Ca 0.19 -1.40 0.28 0.00 -1.01 0.00 0.00 66.70 64.76 2gaq h VAL 93 Cb 0.24 1.91 -0.04 0.00 -2.01 0.00 0.00 31.29 31.38 2gaq h VAL 93 CO -0.01 0.14 0.69 0.15 -1.01 0.00 0.00 177.57 177.53 2gaq h PHE 94 N 0.00 0.05 0.00 3.17 3.04 -0.13 0.29 116.94 123.36 2gaq h PHE 94 Ca -0.03 0.00 -0.30 0.00 3.98 0.00 0.00 57.97 61.62 2gaq h PHE 94 Cb 1.17 -0.01 -0.06 0.00 2.56 0.00 0.00 35.95 39.61 2gaq h PHE 94 CO 0.00 0.01 -2.07 2.89 -2.02 0.00 0.00 178.31 177.12 2gaq n ARG 95 N -4.27 0.66 0.12 1.11 1.85 -1.24 -3.79 116.66 111.10 2gaq n ARG 95 Ca 0.20 0.09 -0.05 0.00 -1.00 0.00 0.00 57.85 57.09 2gaq n ARG 95 Cb 1.02 -1.63 -0.03 0.00 -1.05 0.00 0.00 32.46 30.78 2gaq n ARG 95 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2gaq h ARG 96 N 0.00 -0.33 0.00 2.89 2.47 -0.66 -2.98 114.38 115.77 2gaq h ARG 96 Ca -0.40 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.35 2gaq h ARG 96 Cb 2.02 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 30.42 2gaq h ARG 96 CO 0.04 -0.22 0.00 0.44 0.56 0.00 0.00 179.97 180.79 2gaq n ILE 97 N -3.66 1.14 0.00 2.04 -6.64 0.63 -2.99 119.36 109.88 2gaq n ILE 97 Ca -0.04 0.37 0.00 0.00 -1.77 0.00 0.00 62.75 61.31 2gaq n ILE 97 Cb 0.14 -1.26 0.00 0.00 -1.44 0.00 0.00 39.64 37.07 2gaq n ILE 97 CO 0.00 0.00 0.00 -0.24 -1.77 0.00 0.00 176.55 174.54 2gaq n SER 98 N -1.85 0.00 -2.69 7.28 2.88 -1.17 -4.85 113.62 113.21 2gaq n SER 98 Ca 0.02 0.28 -0.06 0.00 -1.33 0.00 0.00 58.87 57.78 2gaq n SER 98 Cb 0.13 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.67 2gaq n SER 98 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2gaq n LYS 99 N -0.36 0.78 0.00 -1.46 2.85 -1.13 -5.08 118.16 113.77 2gaq n LYS 99 Ca 0.00 -1.40 0.00 0.00 -1.05 0.00 0.00 58.31 55.86 2gaq n LYS 99 Cb 0.00 -0.14 0.00 0.00 -0.65 0.00 0.00 35.03 34.24 2gaq n LYS 99 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29