#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 -0.16 -0.08 -4.62 -0.00 -1.26 -4.70 117.00 106.17 2gaq n LEU 2 Ca 0.00 -0.65 -0.18 0.00 -0.00 0.00 0.00 56.01 55.18 2gaq n LEU 2 Cb 0.00 -0.93 -0.13 0.00 -0.00 0.00 0.00 43.42 42.36 2gaq n LEU 2 CO 0.00 -1.61 -1.15 0.00 -0.00 0.00 0.00 177.39 174.63 2gaq n ILE 3 N 6.77 1.58 0.00 1.47 0.00 -1.26 -4.84 119.36 123.08 2gaq n ILE 3 Ca 0.61 -0.62 0.00 0.00 0.00 0.00 0.00 62.75 62.73 2gaq n ILE 3 Cb 0.22 -1.44 0.00 0.00 0.00 0.00 0.00 39.64 38.41 2gaq n ILE 3 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 2gaq n ARG 4 N -3.29 0.00 0.22 9.51 -4.01 -1.26 -4.91 116.66 112.92 2gaq n ARG 4 Ca -0.40 0.00 0.12 0.00 -1.04 0.00 0.00 57.85 56.53 2gaq n ARG 4 Cb 1.02 0.00 0.20 0.00 -3.04 0.00 0.00 32.46 30.64 2gaq n ARG 4 CO 0.00 0.00 0.00 -0.24 -3.04 0.00 0.00 177.63 174.35 2gaq h VAL 5 N 0.00 0.00 -2.60 8.89 3.04 -1.94 -3.47 116.25 120.17 2gaq h VAL 5 Ca 0.00 -0.97 -0.26 0.00 -1.01 0.00 0.00 66.70 64.46 2gaq h VAL 5 Cb 0.00 1.97 0.02 0.00 -2.01 0.00 0.00 31.29 31.28 2gaq h VAL 5 CO 0.00 0.00 -0.36 0.00 -1.01 0.00 0.00 177.57 176.20 2gaq n ALA 6 N -2.10 -0.53 -2.66 3.17 0.00 -1.26 -4.12 120.51 113.01 2gaq n ALA 6 Ca 0.04 0.16 -0.12 0.00 0.00 0.00 0.00 53.44 53.52 2gaq n ALA 6 Cb 0.52 -2.28 0.01 0.00 0.00 0.00 0.00 19.45 17.70 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 -4.03 -1.34 -1.41 0.00 0.00 -1.26 -4.65 119.36 106.67 2gaq n ILE 7 Ca -0.10 0.01 -0.41 0.00 0.00 0.00 0.00 62.75 62.25 2gaq n ILE 7 Cb 0.59 -1.21 0.01 0.00 0.00 0.00 0.00 39.64 39.04 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 -0.90 -0.61 0.13 9.51 7.99 -1.26 -4.93 117.00 126.92 2gaq n LEU 8 Ca -0.10 0.83 -0.24 0.00 -0.01 0.00 0.00 56.01 56.49 2gaq n LEU 8 Cb 0.27 -1.07 -0.16 0.00 -0.11 0.00 0.00 43.42 42.36 2gaq n LEU 8 CO 0.24 -3.30 -0.32 -0.50 -1.51 0.00 0.00 177.39 172.00 2gaq h TRP 9 N 0.52 0.91 -1.05 -1.77 6.55 -1.89 -3.28 115.95 115.95 2gaq h TRP 9 Ca -0.41 -0.66 0.28 0.00 0.95 0.00 0.00 58.89 59.04 2gaq h TRP 9 Cb 1.41 -0.04 -0.08 0.00 -0.86 0.00 0.00 29.16 29.60 2gaq h TRP 9 CO 0.33 1.60 0.70 1.25 -1.05 0.00 0.00 178.44 181.26 2gaq h HIS 10 N 0.14 0.47 0.25 0.49 -0.00 -1.93 0.74 115.15 115.31 2gaq h HIS 10 Ca -0.28 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.09 2gaq h HIS 10 Cb 2.15 -0.14 0.00 0.00 -0.00 0.00 0.00 27.41 29.43 2gaq h HIS 10 CO 0.12 0.05 -0.12 0.93 -0.00 0.00 0.00 177.93 178.91 2gaq h GLU 11 N 0.29 -0.33 0.00 5.26 4.39 -1.95 0.13 114.58 122.37 2gaq h GLU 11 Ca 0.57 0.02 -0.04 0.00 0.34 0.00 0.00 59.36 60.25 2gaq h GLU 11 Cb 1.64 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 30.36 2gaq h GLU 11 CO -0.21 -0.03 -0.17 0.00 -1.16 0.00 0.00 179.01 177.44 2gaq h MET 12 N -0.63 0.00 -0.05 2.33 -0.00 -1.04 -3.16 114.93 112.38 2gaq h MET 12 Ca -0.03 0.00 -0.23 0.00 -0.00 0.00 0.00 59.70 59.44 2gaq h MET 12 Cb 0.45 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.06 2gaq h MET 12 CO 0.06 0.17 -0.89 -1.49 -0.00 0.00 0.00 176.91 174.76 2gaq h TRP 13 N 0.00 0.78 -0.25 -0.10 6.55 0.76 0.61 115.95 124.30 2gaq h TRP 13 Ca -0.00 -0.39 0.06 0.00 0.95 0.00 0.00 58.89 59.51 2gaq h TRP 13 Cb 0.90 -0.10 -0.07 0.00 -0.86 0.00 0.00 29.16 29.03 2gaq h TRP 13 CO 0.00 1.21 -0.21 0.45 -1.05 0.00 0.00 178.44 178.83 2gaq h HIS 14 N 0.34 -0.56 0.12 0.49 3.86 -0.71 0.41 115.15 119.10 2gaq h HIS 14 Ca -0.08 0.04 -0.35 0.00 -1.16 0.00 0.00 60.37 58.82 2gaq h HIS 14 Cb 1.51 0.28 -0.02 0.00 1.06 0.00 0.00 27.41 30.25 2gaq h HIS 14 CO 0.07 -0.29 -1.90 0.93 0.86 0.00 0.00 177.93 177.60 2gaq h GLU 15 N -0.21 0.25 -0.12 2.45 4.39 -1.67 -2.67 114.58 117.00 2gaq h GLU 15 Ca 0.14 -0.43 0.04 0.00 0.34 0.00 0.00 59.36 59.44 2gaq h GLU 15 Cb 0.43 0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 29.23 2gaq h GLU 15 CO -0.38 1.14 0.09 0.78 -1.16 0.00 0.00 179.01 179.48 2gaq h GLY 16 N 1.37 0.00 1.68 -3.84 0.00 0.40 0.86 103.07 103.53 2gaq h GLY 16 Ca -0.39 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 46.73 2gaq h GLY 16 CO 0.11 0.00 -1.14 1.41 0.00 0.00 0.00 176.54 176.91 2gaq h LEU 17 N 0.00 0.00 0.16 3.11 3.38 -0.27 -3.11 115.31 118.59 2gaq h LEU 17 Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2gaq h LEU 17 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2gaq h LEU 17 CO -0.00 0.91 -0.08 -0.08 0.09 0.00 0.00 178.44 179.28 2gaq h GLU 18 N 0.00 -0.21 -0.05 1.13 4.81 -0.54 0.80 114.58 120.51 2gaq h GLU 18 Ca -0.09 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.17 2gaq h GLU 18 Cb 1.77 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 31.19 2gaq h GLU 18 CO 0.10 0.10 0.09 1.49 -0.73 0.00 0.00 179.01 180.06 2gaq h GLU 19 N -0.99 0.00 0.00 1.92 4.57 0.42 0.31 114.58 120.81 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 0.41 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 2gaq h GLU 19 CO 0.04 0.00 -0.36 0.00 -1.18 0.00 0.00 179.01 177.50 2gaq h ALA 20 N 1.87 0.00 -0.63 2.92 0.00 -1.49 -3.32 119.26 118.61 2gaq h ALA 20 Ca 0.02 -0.38 0.18 0.00 0.00 0.00 0.00 54.91 54.74 2gaq h ALA 20 Cb 0.21 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2gaq h ALA 20 CO -0.00 0.36 0.55 0.66 0.00 0.00 0.00 179.25 180.82 2gaq h SER 21 N -0.94 0.00 -0.24 0.00 4.64 1.00 0.22 113.55 118.23 2gaq h SER 21 Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 2gaq h SER 21 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2gaq h SER 21 CO 0.00 0.00 -0.50 -0.09 -0.87 0.00 0.00 176.83 175.37 2gaq h ARG 22 N 0.00 0.76 0.00 4.77 2.43 -0.59 0.96 114.38 122.71 2gaq h ARG 22 Ca 0.30 -0.50 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 2gaq h ARG 22 Cb 1.39 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 31.01 2gaq h ARG 22 CO -0.00 1.13 0.00 -0.07 -1.51 0.00 0.00 179.97 179.51 2gaq h LEU 23 N 0.49 0.00 0.00 3.80 -0.00 -0.66 -2.10 115.31 116.85 2gaq h LEU 23 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.88 57.52 2gaq h LEU 23 Cb 1.11 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.72 2gaq h LEU 23 CO 0.11 0.00 -2.27 0.00 -0.00 0.00 0.00 178.44 176.28 2gaq n TYR 24 N -2.69 0.00 -0.28 1.13 4.19 -1.02 -0.30 117.16 118.20 2gaq n TYR 24 Ca -0.02 0.00 0.09 0.00 3.31 0.00 0.00 57.90 61.28 2gaq n TYR 24 Cb 0.07 -0.84 0.22 0.00 0.49 0.00 0.00 39.34 39.28 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 -0.45 0.12 0.00 2.98 3.04 0.17 -3.32 116.94 119.47 2gaq h PHE 25 Ca -0.54 0.05 -0.12 0.00 3.98 0.00 0.00 57.97 61.35 2gaq h PHE 25 Cb 1.63 0.08 -0.11 0.00 2.56 0.00 0.00 35.95 40.11 2gaq h PHE 25 CO -0.03 -0.24 -0.21 0.41 -2.02 0.00 0.00 178.31 176.23 2gaq n GLY 26 N -1.41 0.89 0.01 2.40 0.00 -1.09 -4.95 105.19 101.03 2gaq n GLY 26 Ca 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.72 5.48 -3.21 1.61 2.13 -1.16 -5.01 120.64 119.77 2gaq n GLU 27 Ca -0.16 -0.09 -0.20 0.00 0.66 0.00 0.00 57.16 57.36 2gaq n GLU 27 Cb 0.71 -0.61 -0.01 0.00 0.27 0.00 0.00 31.44 31.80 2gaq n GLU 27 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2gaq n ARG 28 N -0.84 -3.03 -3.32 5.31 0.63 -1.09 -4.85 116.66 109.47 2gaq n ARG 28 Ca 0.00 0.43 -0.26 0.00 -0.92 0.00 0.00 57.85 57.10 2gaq n ARG 28 Cb 0.01 -5.09 -0.08 0.00 0.45 0.00 0.00 32.46 27.75 2gaq n ARG 28 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2gaq n ASN 29 N -2.15 1.72 -0.18 6.15 2.85 0.60 -4.91 115.26 119.35 2gaq n ASN 29 Ca -0.03 -3.01 -0.08 0.00 -0.11 0.00 0.00 54.58 51.36 2gaq n ASN 29 Cb 0.54 -0.65 0.01 0.00 1.24 0.00 0.00 39.78 40.92 2gaq n ASN 29 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 2gaq h VAL 30 N 2.69 1.21 -0.45 3.44 2.07 -1.89 -1.23 116.25 122.09 2gaq h VAL 30 Ca 0.14 -0.67 0.11 0.00 0.82 0.00 0.00 66.70 67.10 2gaq h VAL 30 Cb 0.79 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 2gaq h VAL 30 CO 0.62 0.25 0.31 0.50 0.02 0.00 0.00 177.57 179.28 2gaq h LYS 31 N 0.67 0.09 0.27 1.57 3.11 -1.92 -1.39 116.57 118.97 2gaq h LYS 31 Ca 0.17 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.99 2gaq h LYS 31 Cb 0.20 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.41 2gaq h LYS 31 CO -0.01 0.06 -0.13 0.78 -2.81 0.00 0.00 179.45 177.33 2gaq h GLY 32 N 0.09 -0.39 1.64 5.01 0.00 -1.61 -3.09 103.07 104.73 2gaq h GLY 32 Ca 0.21 0.14 0.05 0.00 0.00 0.00 0.00 47.33 47.73 2gaq h GLY 32 CO -0.02 -0.14 0.13 0.00 0.00 0.00 0.00 176.54 176.51 2gaq h MET 33 N -0.93 0.00 0.00 4.80 -0.00 -1.08 0.10 114.93 117.83 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 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.10 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 0.12 -0.10 3.04 -1.23 0.11 116.94 118.88 2gaq h PHE 34 Ca 0.08 0.00 -0.25 0.00 3.98 0.00 0.00 57.97 61.78 2gaq h PHE 34 Cb 0.34 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.85 2gaq h PHE 34 CO 0.00 0.00 -1.24 1.49 -2.02 0.00 0.00 178.31 176.54 2gaq h GLU 35 N 0.00 0.25 0.00 1.11 4.57 -0.71 -1.01 114.58 118.80 2gaq h GLU 35 Ca 0.00 -0.43 -0.16 0.00 -1.18 0.00 0.00 59.36 57.59 2gaq h GLU 35 Cb 0.33 0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 2gaq h GLU 35 CO 0.00 1.21 -0.74 -0.24 -1.18 0.00 0.00 179.01 178.06 2gaq h VAL 36 N -0.34 1.40 0.00 0.32 3.04 -1.48 -3.06 116.25 116.13 2gaq h VAL 36 Ca -0.26 -2.65 0.00 0.00 -1.01 0.00 0.00 66.70 62.78 2gaq h VAL 36 Cb 1.71 2.48 0.00 0.00 -2.01 0.00 0.00 31.29 33.48 2gaq h VAL 36 CO 0.08 0.73 -0.67 -0.11 -1.01 0.00 0.00 177.57 176.58 2gaq n LEU 37 N -3.47 0.67 -0.08 3.16 7.94 0.01 -4.03 117.00 121.20 2gaq n LEU 37 Ca 0.00 0.19 -0.07 0.00 -1.11 0.00 0.00 56.01 55.02 2gaq n LEU 37 Cb 0.77 -0.17 -0.00 0.00 0.53 0.00 0.00 43.42 44.54 2gaq n LEU 37 CO 0.43 -0.03 0.76 -0.08 -1.11 0.00 0.00 177.39 177.36 2gaq h GLU 38 N 0.00 -0.09 0.00 1.96 4.22 -1.06 0.32 114.58 119.93 2gaq h GLU 38 Ca 0.00 0.01 -0.04 0.00 0.08 0.00 0.00 59.36 59.41 2gaq h GLU 38 Cb 0.73 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2gaq h GLU 38 CO 0.00 -0.06 -0.17 -1.00 -2.18 0.00 0.00 179.01 175.60 2gaq h PRO 39 N -0.09 0.00 0.00 0.92 0.13 -1.72 -2.92 132.00 128.31 2gaq h PRO 39 Ca 0.16 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.27 2gaq h PRO 39 Cb 0.33 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.46 2gaq h PRO 39 CO -0.37 0.17 -0.10 -0.07 -0.23 0.00 0.00 178.00 177.40 2gaq h LEU 40 N 0.00 0.00 0.08 1.56 3.38 -0.58 0.45 115.31 120.20 2gaq h LEU 40 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2gaq h LEU 40 Cb 0.77 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.54 2gaq h LEU 40 CO 0.02 0.10 -0.47 -0.74 0.09 0.00 0.00 178.44 177.44 2gaq h HIS 41 N 0.00 0.32 -0.48 1.13 6.17 -0.98 -3.27 115.15 118.05 2gaq h HIS 41 Ca -0.00 -0.23 -0.11 0.00 0.71 0.00 0.00 60.37 60.73 2gaq h HIS 41 Cb 0.58 -0.01 -0.01 0.00 2.52 0.00 0.00 27.41 30.48 2gaq h HIS 41 CO 0.00 1.17 -0.14 0.00 0.71 0.00 0.00 177.93 179.67 2gaq h ALA 42 N 0.06 0.67 0.00 5.26 0.00 -1.31 0.41 119.26 124.35 2gaq h ALA 42 Ca -0.08 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2gaq h ALA 42 Cb 1.36 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2gaq h ALA 42 CO 0.09 0.60 0.00 -1.33 0.00 0.00 0.00 179.25 178.60 2gaq n MET 43 N -4.19 0.02 -0.07 0.00 2.00 0.15 -0.92 117.12 114.10 2gaq n MET 43 Ca 0.00 0.39 -0.06 0.00 0.00 0.00 0.00 57.70 58.04 2gaq n MET 43 Cb 0.41 -1.54 -0.14 0.00 0.00 0.00 0.00 33.22 31.95 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 -1.58 1.06 0.06 0.03 0.00 -0.51 -4.61 117.12 111.57 2gaq n MET 44 Ca 0.02 -0.03 -0.17 0.00 0.00 0.00 0.00 57.70 57.51 2gaq n MET 44 Cb 0.09 -1.45 -0.14 0.00 0.00 0.00 0.00 33.22 31.72 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 0.25 -1.08 2.12 4.57 0.14 -3.31 114.58 117.27 2gaq h GLU 45 Ca -0.40 -0.42 0.35 0.00 -1.18 0.00 0.00 59.36 57.71 2gaq h GLU 45 Cb 1.89 0.16 -0.14 0.00 -0.16 0.00 0.00 28.75 30.50 2gaq h GLU 45 CO 0.02 1.10 0.64 -0.09 -1.18 0.00 0.00 179.01 179.50 2gaq h ARG 46 N 0.07 0.24 0.00 1.92 1.12 -1.28 -3.47 114.38 112.97 2gaq h ARG 46 Ca -0.26 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.60 2gaq h ARG 46 Cb 2.02 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 31.93 2gaq h ARG 46 CO 0.15 0.16 0.00 0.41 -3.11 0.00 0.00 179.97 177.58 2gaq n GLY 47 N -1.35 3.03 3.76 2.80 0.00 -1.25 -5.05 105.19 107.13 2gaq n GLY 47 Ca 0.33 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.89 4.33 0.00 1.61 0.04 -1.26 -4.97 135.00 131.86 2gaq s PRO 48 Ca 0.00 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.28 2gaq s PRO 48 Cb 0.00 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.46 2gaq s PRO 48 CO 0.00 -0.25 0.00 0.94 0.04 0.00 0.00 177.00 177.73 2gaq n GLN 49 N 1.16 0.00 0.00 4.56 -0.06 -1.26 -4.99 117.38 116.79 2gaq n GLN 49 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.02 2gaq n GLN 49 Cb 0.41 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.59 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 -4.93 114.28 115.44 2gaq n THR 50 Ca 0.00 1.06 0.00 0.00 -3.05 0.00 0.00 64.05 62.06 2gaq n THR 50 Cb 0.00 -1.79 0.00 0.00 -1.55 0.00 0.00 70.33 66.99 2gaq n THR 50 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2gaq n LEU 51 N -0.96 0.00 -0.00 1.09 4.77 -1.26 -5.07 117.00 115.57 2gaq n LEU 51 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 2gaq n LEU 51 Cb 0.00 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2gaq n LEU 51 CO 0.00 0.00 -0.52 0.29 -1.33 0.00 0.00 177.39 175.83 2gaq n LYS 52 N 0.00 0.01 -1.74 3.23 5.02 -1.26 -4.82 118.16 118.60 2gaq n LYS 52 Ca 0.00 0.01 -0.35 0.00 -2.02 0.00 0.00 58.31 55.95 2gaq n LYS 52 Cb 0.00 -0.54 -0.03 0.00 -0.02 0.00 0.00 35.03 34.44 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 -3.01 3.78 -2.72 1.97 0.00 -1.26 -4.36 120.64 115.03 2gaq n GLU 53 Ca -0.01 -2.91 -0.08 0.00 0.00 0.00 0.00 57.16 54.15 2gaq n GLU 53 Cb 0.51 -2.48 0.08 0.00 0.00 0.00 0.00 31.44 29.56 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 1.68 0.00 -0.07 3.84 -1.04 -1.26 -4.85 114.28 112.59 2gaq n THR 54 Ca 0.59 -1.36 -0.09 0.00 -2.04 0.00 0.00 64.05 61.15 2gaq n THR 54 Cb 0.37 1.43 -0.06 0.00 -1.82 0.00 0.00 70.33 70.24 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 0.74 2.94 -0.07 8.00 7.64 -1.26 -4.52 113.62 127.08 2gaq n SER 55 Ca 0.05 -0.07 -0.13 0.00 1.01 0.00 0.00 58.87 59.73 2gaq n SER 55 Cb 0.69 -0.16 -0.12 0.00 -1.01 0.00 0.00 64.21 63.61 2gaq n SER 55 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 2gaq h PHE 56 N 0.00 -0.00 -0.91 1.43 0.04 -1.93 -3.10 116.94 112.46 2gaq h PHE 56 Ca -0.30 -0.00 0.24 0.00 2.80 0.00 0.00 57.97 60.71 2gaq h PHE 56 Cb 1.47 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.57 2gaq h PHE 56 CO 0.01 0.93 0.63 -0.97 -0.60 0.00 0.00 178.31 178.31 2gaq h ASN 57 N -1.00 0.21 -0.47 2.17 -1.24 -1.86 0.80 115.58 114.19 2gaq h ASN 57 Ca -0.00 0.03 -0.04 0.00 0.71 0.00 0.00 56.30 57.00 2gaq h ASN 57 Cb 0.93 -0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.95 2gaq h ASN 57 CO 0.00 0.07 0.14 1.56 -1.29 0.00 0.00 177.43 177.91 2gaq h GLN 58 N 0.20 0.73 0.00 6.67 1.08 -1.78 -3.15 115.11 118.87 2gaq h GLN 58 Ca 0.46 -0.16 0.00 0.00 -1.45 0.00 0.00 58.65 57.50 2gaq h GLN 58 Cb 1.48 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.81 2gaq h GLN 58 CO -0.10 0.70 -0.11 0.00 -0.95 0.00 0.00 178.83 178.37 2gaq n ALA 59 N -2.36 1.75 -0.30 3.87 0.00 0.57 -4.68 120.51 119.36 2gaq n ALA 59 Ca 0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 53.44 53.27 2gaq n ALA 59 Cb 0.20 0.04 -0.01 0.00 0.00 0.00 0.00 19.45 19.68 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 -2.85 0.00 0.26 0.00 4.01 0.25 -4.38 117.16 114.45 2gaq n TYR 60 Ca -0.02 -0.58 0.14 0.00 -0.16 0.00 0.00 57.90 57.28 2gaq n TYR 60 Cb 0.06 -0.43 0.67 0.00 -0.31 0.00 0.00 39.34 39.33 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 3.54 0.00 -2.07 2.72 0.00 -1.36 -1.49 103.07 104.41 2gaq h GLY 61 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2gaq h GLY 61 CO 0.02 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.10 2gaq n ARG 62 N -2.46 2.38 0.00 4.80 1.74 -1.26 -3.96 116.66 117.90 2gaq n ARG 62 Ca -0.01 -2.06 0.00 0.00 -0.77 0.00 0.00 57.85 55.01 2gaq n ARG 62 Cb 0.12 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 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 1.40 0.00 -0.41 0.55 -0.08 -0.56 -4.06 116.55 113.39 2gaq n ASP 63 Ca 0.16 0.00 0.34 0.00 -1.51 0.00 0.00 54.79 53.78 2gaq n ASP 63 Cb 0.60 0.00 0.64 0.00 2.34 0.00 0.00 41.12 44.70 2gaq n ASP 63 CO 0.00 0.00 0.00 0.17 0.12 0.00 0.00 177.20 177.49 2gaq h LEU 64 N 0.00 0.24 -0.33 -2.67 8.10 -1.82 0.25 115.31 119.09 2gaq h LEU 64 Ca 0.00 0.09 0.06 0.00 0.11 0.00 0.00 57.88 58.14 2gaq h LEU 64 Cb 0.00 0.06 -0.08 0.00 -0.44 0.00 0.00 40.66 40.20 2gaq h LEU 64 CO 0.00 -0.06 -0.43 -0.03 -4.11 0.00 0.00 178.44 173.82 2gaq h MET 65 N 0.15 -0.36 0.00 0.17 4.05 -1.83 0.97 114.93 118.09 2gaq h MET 65 Ca 0.72 0.02 -0.17 0.00 -0.28 0.00 0.00 59.70 60.00 2gaq h MET 65 Cb 2.32 0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 33.18 2gaq h MET 65 CO -0.28 -0.24 -1.12 0.93 0.23 0.00 0.00 176.91 176.44 2gaq h GLU 66 N -0.37 0.00 -0.09 0.39 5.08 -1.03 -0.33 114.58 118.23 2gaq h GLU 66 Ca 0.12 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 2gaq h GLU 66 Cb 0.59 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 2gaq h GLU 66 CO -0.53 0.47 0.09 0.00 -1.00 0.00 0.00 179.01 178.05 2gaq h ALA 67 N 1.34 1.73 0.00 3.43 0.00 0.09 -2.37 119.26 123.49 2gaq h ALA 67 Ca -0.11 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 2gaq h ALA 67 Cb 1.60 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.36 2gaq h ALA 67 CO 0.07 -0.14 -1.72 0.94 0.00 0.00 0.00 179.25 178.40 2gaq n GLN 68 N -3.94 0.32 -0.30 0.00 7.27 0.27 -4.62 117.38 116.37 2gaq n GLN 68 Ca -0.01 0.07 0.35 0.00 0.07 0.00 0.00 57.00 57.48 2gaq n GLN 68 Cb 0.20 -1.25 0.73 0.00 2.41 0.00 0.00 30.24 32.32 2gaq n GLN 68 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 2gaq h GLU 69 N -0.00 0.00 -2.01 3.69 4.81 -0.90 0.06 114.58 120.22 2gaq h GLU 69 Ca -0.28 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.80 2gaq h GLU 69 Cb 1.44 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.76 2gaq h GLU 69 CO -0.04 0.00 -0.30 0.91 -0.73 0.00 0.00 179.01 178.85 2gaq n TRP 70 N -4.00 0.00 -0.05 0.92 5.03 -0.90 -4.40 117.44 114.03 2gaq n TRP 70 Ca 0.25 -1.37 -0.01 0.00 3.03 0.00 0.00 57.50 59.40 2gaq n TRP 70 Cb 1.28 -1.35 -0.00 0.00 -1.03 0.00 0.00 31.31 30.21 2gaq n TRP 70 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 2gaq h ARG 72 N -0.88 0.06 0.28 0.00 2.43 -1.86 0.33 114.38 114.75 2gaq h ARG 72 Ca 0.00 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 2gaq h ARG 72 Cb 0.10 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 2gaq h ARG 72 CO 0.00 0.04 -0.13 0.87 -1.51 0.00 0.00 179.97 179.24 2gaq h LYS 73 N 0.07 -0.36 -0.27 0.20 1.79 -1.87 -3.32 116.57 112.80 2gaq h LYS 73 Ca 0.51 0.02 0.08 0.00 -2.18 0.00 0.00 60.65 59.08 2gaq h LYS 73 Cb 1.91 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 32.63 2gaq h LYS 73 CO -0.05 -0.13 0.40 -0.92 -1.08 0.00 0.00 179.45 177.67 2gaq h TYR 74 N -1.05 0.00 -0.63 -1.35 3.20 0.12 0.51 116.97 117.77 2gaq h TYR 74 Ca -0.04 0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.01 2gaq h TYR 74 Cb 0.40 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.64 2gaq h TYR 74 CO 0.03 0.00 0.48 0.52 -1.64 0.00 0.00 178.16 177.55 2gaq h MET 75 N 0.00 0.00 0.00 1.82 2.86 -0.51 -3.32 114.93 115.78 2gaq h MET 75 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 2gaq h MET 75 Cb 0.94 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.60 2gaq h MET 75 CO -0.00 0.00 0.00 1.63 1.06 0.00 0.00 176.91 179.60 2gaq n LYS 76 N -4.20 0.00 -0.29 1.72 5.02 -0.51 -4.93 118.16 114.97 2gaq n LYS 76 Ca 0.12 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.36 2gaq n LYS 76 Cb 0.73 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.81 2gaq n LYS 76 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2gaq h SER 77 N 0.00 1.04 0.09 4.39 0.87 -0.74 -3.10 113.55 116.10 2gaq h SER 77 Ca 0.00 -0.13 -0.16 0.00 -1.23 0.00 0.00 61.79 60.27 2gaq h SER 77 Cb 0.00 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.66 2gaq h SER 77 CO 0.00 0.88 -2.07 0.61 -0.53 0.00 0.00 176.83 175.71 2gaq n GLY 78 N -1.01 -1.03 6.14 5.77 0.00 0.14 -4.94 105.19 110.26 2gaq n GLY 78 Ca 0.08 -0.41 0.02 0.00 0.00 0.00 0.00 46.02 45.71 2gaq n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2gaq n ASN 79 N -2.52 -5.20 0.07 1.61 4.13 -1.17 -1.64 115.26 110.54 2gaq n ASN 79 Ca -0.16 0.19 0.21 0.00 1.68 0.00 0.00 54.58 56.50 2gaq n ASN 79 Cb 0.82 -0.55 0.71 0.00 -1.54 0.00 0.00 39.78 39.22 2gaq n ASN 79 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 2gaq h VAL 80 N -0.16 0.30 -0.05 2.41 2.07 -1.93 0.17 116.25 119.05 2gaq h VAL 80 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.54 2gaq h VAL 80 Cb 0.16 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2gaq h VAL 80 CO 0.00 0.00 0.09 0.50 0.02 0.00 0.00 177.57 178.18 2gaq h LYS 81 N 0.00 0.00 0.11 1.57 3.11 -1.95 0.29 116.57 119.71 2gaq h LYS 81 Ca 0.22 0.00 -0.36 0.00 -2.81 0.00 0.00 60.65 57.71 2gaq h LYS 81 Cb 1.31 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.52 2gaq h LYS 81 CO -0.00 0.00 -1.96 -0.25 -2.81 0.00 0.00 179.45 174.43 2gaq n ASP 82 N -3.48 2.10 -0.32 4.20 9.92 0.03 -4.23 116.55 124.76 2gaq n ASP 82 Ca -0.02 0.22 -0.03 0.00 -0.53 0.00 0.00 54.79 54.43 2gaq n ASP 82 Cb 0.17 -0.86 0.09 0.00 -0.64 0.00 0.00 41.12 39.87 2gaq n ASP 82 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 2gaq h LEU 83 N -0.02 1.02 -1.70 0.64 7.12 -0.90 -0.17 115.31 121.30 2gaq h LEU 83 Ca -0.42 -0.04 0.17 0.00 0.13 0.00 0.00 57.88 57.72 2gaq h LEU 83 Cb 1.97 -0.26 -0.04 0.00 -0.53 0.00 0.00 40.66 41.80 2gaq h LEU 83 CO 0.06 0.76 0.51 0.00 -0.13 0.00 0.00 178.44 179.63 2gaq h THR 84 N 1.19 0.74 0.10 1.05 1.03 -0.70 -0.12 112.91 116.20 2gaq h THR 84 Ca 0.32 -0.10 -0.28 0.00 -0.01 0.00 0.00 66.41 66.34 2gaq h THR 84 Cb -0.11 0.43 -0.01 0.00 -1.07 0.00 0.00 68.15 67.40 2gaq h THR 84 CO -0.07 0.05 -1.34 1.56 -0.01 0.00 0.00 175.52 175.71 2gaq h GLN 85 N 0.28 0.22 -0.83 0.00 4.20 -1.42 -3.00 115.11 114.55 2gaq h GLN 85 Ca 0.37 -0.37 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2gaq h GLN 85 Cb 1.03 0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.91 2gaq h GLN 85 CO -0.09 1.12 0.54 0.00 -0.67 0.00 0.00 178.83 179.73 2gaq h ALA 86 N 0.62 1.06 -0.97 3.87 0.00 0.60 0.53 119.26 124.97 2gaq h ALA 86 Ca -0.17 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.71 2gaq h ALA 86 Cb 1.97 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 19.36 2gaq h ALA 86 CO 0.17 0.49 0.63 2.35 0.00 0.00 0.00 179.25 182.90 2gaq h TRP 87 N 1.14 1.18 -0.62 0.00 2.91 -1.15 0.12 115.95 119.52 2gaq h TRP 87 Ca 0.30 0.03 -0.08 0.00 1.13 0.00 0.00 58.89 60.27 2gaq h TRP 87 Cb -0.10 -0.40 -0.02 0.00 -0.51 0.00 0.00 29.16 28.13 2gaq h TRP 87 CO -0.01 0.69 0.06 0.22 -1.03 0.00 0.00 178.44 178.37 2gaq h ASP 88 N 1.23 1.02 -0.26 2.65 1.82 -0.86 0.43 116.42 122.46 2gaq h ASP 88 Ca 0.38 -0.28 -0.09 0.00 -0.39 0.00 0.00 57.03 56.65 2gaq h ASP 88 Cb -0.01 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 39.72 2gaq h ASP 88 CO -0.11 1.05 -0.18 -0.07 -1.61 0.00 0.00 179.24 178.31 2gaq h LEU 89 N 0.96 0.61 -0.22 2.28 3.38 0.12 0.68 115.31 123.13 2gaq h LEU 89 Ca 0.18 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2gaq h LEU 89 Cb 0.48 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2gaq h LEU 89 CO 0.02 0.92 0.14 1.88 0.09 0.00 0.00 178.44 181.50 2gaq h TYR 90 N 0.31 0.27 -0.23 1.13 0.05 -0.61 0.37 116.97 118.26 2gaq h TYR 90 Ca 0.05 0.01 -0.19 0.00 0.05 0.00 0.00 58.73 58.65 2gaq h TYR 90 Cb 0.72 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.37 2gaq h TYR 90 CO 0.07 0.17 -0.59 -0.92 -1.05 0.00 0.00 178.16 175.83 2gaq h TYR 91 N 0.29 1.04 -0.73 4.88 3.20 0.01 0.31 116.97 125.97 2gaq h TYR 91 Ca 0.08 -0.40 -0.02 0.00 3.14 0.00 0.00 58.73 61.53 2gaq h TYR 91 Cb -0.03 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.03 2gaq h TYR 91 CO -0.07 1.22 0.38 1.25 -1.64 0.00 0.00 178.16 179.31 2gaq h HIS 92 N 0.56 1.03 0.06 -3.82 2.76 0.50 -2.29 115.15 113.95 2gaq h HIS 92 Ca -0.01 -0.04 -0.25 0.00 -2.20 0.00 0.00 60.37 57.88 2gaq h HIS 92 Cb 1.21 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 29.85 2gaq h HIS 92 CO 0.08 0.75 -1.07 -0.24 -1.30 0.00 0.00 177.93 176.15 2gaq h VAL 93 N 1.02 1.44 -1.62 5.26 3.04 -0.92 -3.27 116.25 121.21 2gaq h VAL 93 Ca 0.26 -2.70 0.47 0.00 -1.01 0.00 0.00 66.70 63.72 2gaq h VAL 93 Cb 0.08 2.64 -0.07 0.00 -2.01 0.00 0.00 31.29 31.93 2gaq h VAL 93 CO -0.04 0.80 1.15 0.15 -1.01 0.00 0.00 177.57 178.62 2gaq h PHE 94 N 0.16 0.07 0.19 3.17 3.57 0.22 0.52 116.94 124.84 2gaq h PHE 94 Ca -0.10 0.00 -0.35 0.00 3.53 0.00 0.00 57.97 61.05 2gaq h PHE 94 Cb 1.74 -0.02 0.01 0.00 2.79 0.00 0.00 35.95 40.48 2gaq h PHE 94 CO 0.06 -0.02 -1.72 0.00 -2.23 0.00 0.00 178.31 174.40 2gaq h ARG 95 N 0.02 0.40 0.38 1.11 3.08 -1.59 -3.04 114.38 114.73 2gaq h ARG 95 Ca 0.79 -0.69 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 2gaq h ARG 95 Cb 3.08 0.26 0.00 0.00 0.08 0.00 0.00 29.97 33.39 2gaq h ARG 95 CO -0.06 1.33 -0.18 0.00 -1.07 0.00 0.00 179.97 179.99 2gaq h ARG 96 N 0.09 -0.49 0.00 0.04 2.47 -0.26 -3.03 114.38 113.20 2gaq h ARG 96 Ca -0.34 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.42 2gaq h ARG 96 Cb 2.09 0.11 0.00 0.00 -1.65 0.00 0.00 29.97 30.52 2gaq h ARG 96 CO 0.18 -0.33 0.00 0.44 0.56 0.00 0.00 179.97 180.82 2gaq n ILE 97 N -3.82 0.98 0.29 2.04 -5.35 0.12 -1.14 119.36 112.48 2gaq n ILE 97 Ca -0.06 0.52 -0.18 0.00 -0.27 0.00 0.00 62.75 62.75 2gaq n ILE 97 Cb 0.20 -1.49 -0.09 0.00 -1.74 0.00 0.00 39.64 36.52 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 -1.31 0.00 7.28 0.87 -1.41 -3.43 113.55 115.55 2gaq h SER 98 Ca 0.00 0.10 -0.15 0.00 -1.23 0.00 0.00 61.79 60.52 2gaq h SER 98 Cb 0.15 0.43 -0.12 0.00 -0.44 0.00 0.00 62.40 62.43 2gaq h SER 98 CO 0.00 -0.65 -0.07 0.29 -0.53 0.00 0.00 176.83 175.87 2gaq n LYS 99 N -5.56 0.66 0.00 2.24 5.02 -1.17 -5.06 118.16 114.29 2gaq n LYS 99 Ca -0.12 -1.23 0.00 0.00 -2.02 0.00 0.00 58.31 54.94 2gaq n LYS 99 Cb 0.45 -0.05 0.00 0.00 -0.02 0.00 0.00 35.03 35.41 2gaq n LYS 99 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82