#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 0.12 -0.01 -1.84 7.99 -1.26 -4.59 117.00 117.42 2gaq n LEU 2 Ca 0.00 -0.85 0.00 0.00 -0.01 0.00 0.00 56.01 55.15 2gaq n LEU 2 Cb 0.00 -1.05 0.00 0.00 -0.11 0.00 0.00 43.42 42.26 2gaq n LEU 2 CO 0.00 -1.85 0.33 2.30 -1.51 0.00 0.00 177.39 176.66 2gaq n ILE 3 N 7.05 0.34 0.11 -0.08 -6.64 -1.26 -4.76 119.36 114.13 2gaq n ILE 3 Ca 0.58 -0.34 0.00 0.00 -1.77 0.00 0.00 62.75 61.22 2gaq n ILE 3 Cb 0.27 0.82 0.00 0.00 -1.44 0.00 0.00 39.64 39.28 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 -0.17 0.00 -0.04 6.28 1.85 -1.26 -4.98 116.66 118.33 2gaq n ARG 4 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.76 2gaq n ARG 4 Cb 0.43 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.75 2gaq n ARG 4 CO 0.00 0.00 0.00 -0.24 -0.01 0.00 0.00 177.63 177.38 2gaq h VAL 5 N 0.00 1.13 -4.90 8.89 3.04 -1.92 -3.47 116.25 119.02 2gaq h VAL 5 Ca 0.00 -1.71 -0.16 0.00 -1.01 0.00 0.00 66.70 63.83 2gaq h VAL 5 Cb 0.00 2.07 -0.04 0.00 -2.01 0.00 0.00 31.29 31.31 2gaq h VAL 5 CO 0.00 0.36 -0.22 0.00 -1.01 0.00 0.00 177.57 176.70 2gaq n ALA 6 N -2.63 -0.96 -2.60 3.17 0.00 -1.26 -4.85 120.51 111.38 2gaq n ALA 6 Ca -0.07 0.02 -0.40 0.00 0.00 0.00 0.00 53.44 52.99 2gaq n ALA 6 Cb 0.30 -1.19 0.02 0.00 0.00 0.00 0.00 19.45 18.58 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 -3.03 5.76 -1.54 0.00 0.00 -1.26 -5.01 119.36 114.28 2gaq n ILE 7 Ca -0.03 -5.83 -0.55 0.00 0.00 0.00 0.00 62.75 56.33 2gaq n ILE 7 Cb 0.53 -1.52 -0.07 0.00 0.00 0.00 0.00 39.64 38.59 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 -0.11 0.71 -0.08 9.51 7.99 -1.26 -4.89 117.00 128.87 2gaq n LEU 8 Ca 0.47 1.14 -0.12 0.00 -0.01 0.00 0.00 56.01 57.48 2gaq n LEU 8 Cb 0.27 -1.05 -0.05 0.00 -0.11 0.00 0.00 43.42 42.48 2gaq n LEU 8 CO 0.51 -1.56 0.64 -0.50 -1.51 0.00 0.00 177.39 174.97 2gaq h TRP 9 N 3.58 0.62 -0.74 -1.77 6.55 -1.90 -2.94 115.95 119.36 2gaq h TRP 9 Ca -0.48 -0.16 0.21 0.00 0.95 0.00 0.00 58.89 59.41 2gaq h TRP 9 Cb 1.39 -0.14 -0.03 0.00 -0.86 0.00 0.00 29.16 29.52 2gaq h TRP 9 CO 0.57 0.81 0.53 1.12 -1.05 0.00 0.00 178.44 180.43 2gaq h HIS 10 N 0.25 0.01 0.36 0.49 2.07 -1.88 0.62 115.15 117.07 2gaq h HIS 10 Ca 0.05 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.55 2gaq h HIS 10 Cb 0.66 -0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.64 2gaq h HIS 10 CO 0.07 0.00 -0.17 0.93 -3.07 0.00 0.00 177.93 175.69 2gaq h GLU 11 N 0.01 -0.46 0.00 5.12 4.39 -1.89 0.14 114.58 121.89 2gaq h GLU 11 Ca 0.35 0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.98 2gaq h GLU 11 Cb 1.40 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 30.14 2gaq h GLU 11 CO -0.01 -0.19 -0.47 0.00 -1.16 0.00 0.00 179.01 177.18 2gaq h MET 12 N -0.69 0.00 -0.39 2.33 -0.00 -0.98 -3.15 114.93 112.05 2gaq h MET 12 Ca -0.05 0.00 -0.16 0.00 -0.00 0.00 0.00 59.70 59.49 2gaq h MET 12 Cb 0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.08 2gaq h MET 12 CO 0.08 0.47 -0.38 -1.49 -0.00 0.00 0.00 176.91 175.59 2gaq h TRP 13 N 0.00 1.14 0.42 -0.10 -0.00 0.45 0.61 115.95 118.47 2gaq h TRP 13 Ca -0.00 -0.34 -0.01 0.00 -0.00 0.00 0.00 58.89 58.54 2gaq h TRP 13 Cb 0.98 -0.24 -0.03 0.00 -0.00 0.00 0.00 29.16 29.88 2gaq h TRP 13 CO 0.00 1.18 -0.47 0.45 -0.00 0.00 0.00 178.44 179.60 2gaq h HIS 14 N 0.77 -1.30 0.08 0.49 3.86 -0.67 0.38 115.15 118.77 2gaq h HIS 14 Ca 0.06 0.01 -0.28 0.00 -1.16 0.00 0.00 60.37 59.01 2gaq h HIS 14 Cb 0.98 0.51 0.02 0.00 1.06 0.00 0.00 27.41 29.98 2gaq h HIS 14 CO 0.06 -0.62 -1.16 0.93 0.86 0.00 0.00 177.93 178.00 2gaq h GLU 15 N -0.91 0.55 -0.08 2.45 5.08 -1.65 -2.55 114.58 117.46 2gaq h GLU 15 Ca -0.04 -0.70 0.02 0.00 -1.00 0.00 0.00 59.36 57.64 2gaq h GLU 15 Cb 0.81 0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 2gaq h GLU 15 CO -0.09 1.30 0.06 0.78 -1.00 0.00 0.00 179.01 180.06 2gaq h GLY 16 N 0.66 0.01 1.64 -3.84 0.00 0.40 0.74 103.07 102.68 2gaq h GLY 16 Ca -0.15 -0.00 -0.20 0.00 0.00 0.00 0.00 47.33 46.98 2gaq h GLY 16 CO 0.22 0.00 -0.82 1.41 0.00 0.00 0.00 176.54 177.35 2gaq h LEU 17 N 0.01 0.42 -0.05 3.11 3.38 -0.15 -2.40 115.31 119.63 2gaq h LEU 17 Ca 0.04 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 2gaq h LEU 17 Cb 0.15 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2gaq h LEU 17 CO -0.00 1.07 -0.07 -0.08 0.09 0.00 0.00 178.44 179.45 2gaq h GLU 18 N 0.21 0.13 0.00 1.13 4.81 -0.40 0.82 114.58 121.28 2gaq h GLU 18 Ca -0.05 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 2gaq h GLU 18 Cb 1.43 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.81 2gaq h GLU 18 CO 0.14 0.64 -0.05 1.49 -0.73 0.00 0.00 179.01 180.49 2gaq h GLU 19 N -0.36 0.00 0.00 1.92 4.57 0.25 0.44 114.58 121.40 2gaq h GLU 19 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2gaq h GLU 19 Cb 0.63 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 2gaq h GLU 19 CO 0.02 0.05 -0.16 0.00 -1.18 0.00 0.00 179.01 177.74 2gaq h ALA 20 N 1.95 0.00 -0.28 2.92 0.00 -1.21 -3.29 119.26 119.35 2gaq h ALA 20 Ca -0.00 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.79 2gaq h ALA 20 Cb 0.12 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2gaq h ALA 20 CO 0.01 0.16 0.33 0.77 0.00 0.00 0.00 179.25 180.52 2gaq h SER 21 N -0.67 0.00 0.18 0.00 0.02 0.79 0.94 113.55 114.81 2gaq h SER 21 Ca 0.00 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.69 2gaq h SER 21 Cb 0.16 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.72 2gaq h SER 21 CO 0.00 0.00 -1.07 -0.09 -1.14 0.00 0.00 176.83 174.53 2gaq h ARG 22 N 0.00 0.56 0.00 3.45 2.43 -0.29 0.56 114.38 121.09 2gaq h ARG 22 Ca 0.13 -0.65 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 2gaq h ARG 22 Cb 0.78 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 2gaq h ARG 22 CO -0.00 1.26 0.01 -0.07 -1.51 0.00 0.00 179.97 179.65 2gaq h LEU 23 N 0.30 0.00 0.00 3.80 -0.00 -0.87 -1.56 115.31 116.97 2gaq h LEU 23 Ca -0.13 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.58 2gaq h LEU 23 Cb 1.72 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 42.35 2gaq h LEU 23 CO 0.20 0.00 -1.70 0.00 -0.00 0.00 0.00 178.44 176.94 2gaq n TYR 24 N -2.63 0.00 -0.09 1.13 9.36 -1.15 -1.10 117.16 122.68 2gaq n TYR 24 Ca -0.02 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.14 2gaq n TYR 24 Cb 0.06 -0.49 0.00 0.00 -0.63 0.00 0.00 39.34 38.28 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 -0.27 -0.03 2.98 3.57 0.12 -3.35 116.94 119.96 2gaq h PHE 25 Ca -0.26 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.12 2gaq h PHE 25 Cb 1.55 0.17 -0.18 0.00 2.79 0.00 0.00 35.95 40.28 2gaq h PHE 25 CO 0.00 -0.19 -0.40 0.41 -2.23 0.00 0.00 178.31 175.90 2gaq n GLY 26 N -1.30 1.17 0.04 2.40 0.00 -1.12 -4.95 105.19 101.43 2gaq n GLY 26 Ca 0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.54 2.44 -2.37 1.61 4.71 -1.21 -5.03 120.64 120.25 2gaq n GLU 27 Ca -0.19 0.00 -0.17 0.00 -0.01 0.00 0.00 57.16 56.79 2gaq n GLU 27 Cb 0.81 -1.21 -0.00 0.00 -1.01 0.00 0.00 31.44 30.03 2gaq n GLU 27 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 2gaq n ARG 28 N -2.35 -1.58 -3.48 3.49 0.63 -1.10 -4.93 116.66 107.33 2gaq n ARG 28 Ca -0.14 0.81 -0.27 0.00 -0.92 0.00 0.00 57.85 57.34 2gaq n ARG 28 Cb 0.76 -5.25 -0.09 0.00 0.45 0.00 0.00 32.46 28.33 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 -1.26 2.13 0.25 6.15 2.85 -0.26 -4.89 115.26 120.22 2gaq n ASN 29 Ca -0.19 -3.06 0.14 0.00 -0.11 0.00 0.00 54.58 51.37 2gaq n ASN 29 Cb 0.65 -0.67 0.82 0.00 1.24 0.00 0.00 39.78 41.82 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 3.41 0.63 -0.03 3.44 2.07 -1.92 0.78 116.25 124.62 2gaq h VAL 30 Ca 0.17 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.62 2gaq h VAL 30 Cb 0.77 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 2gaq h VAL 30 CO 0.65 0.00 -0.29 0.50 0.02 0.00 0.00 177.57 178.45 2gaq h LYS 31 N 0.00 0.06 0.09 1.57 3.11 -1.91 -2.40 116.57 117.09 2gaq h LYS 31 Ca 0.03 -0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 57.85 2gaq h LYS 31 Cb 0.17 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.40 2gaq h LYS 31 CO -0.00 0.35 -0.04 0.78 -2.81 0.00 0.00 179.45 177.73 2gaq h GLY 32 N 0.92 -0.12 0.84 5.01 0.00 -1.18 -3.20 103.07 105.34 2gaq h GLY 32 Ca 0.01 0.04 0.16 0.00 0.00 0.00 0.00 47.33 47.54 2gaq h GLY 32 CO 0.04 -0.04 0.42 0.00 0.00 0.00 0.00 176.54 176.96 2gaq h MET 33 N -0.77 0.07 0.00 4.80 -0.00 -1.46 0.65 114.93 118.22 2gaq h MET 33 Ca -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.68 2gaq h MET 33 Cb 0.58 -0.01 0.00 0.00 -0.00 0.00 0.00 31.60 32.17 2gaq h MET 33 CO 0.02 0.04 0.00 0.35 -0.00 0.00 0.00 176.91 177.32 2gaq h PHE 34 N 0.07 0.00 0.06 -0.10 3.04 -1.43 -0.55 116.94 118.03 2gaq h PHE 34 Ca 0.28 0.00 -0.33 0.00 3.98 0.00 0.00 57.97 61.90 2gaq h PHE 34 Cb 1.04 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 39.52 2gaq h PHE 34 CO -0.00 0.00 -1.86 -1.91 -2.02 0.00 0.00 178.31 172.52 2gaq n GLU 35 N -2.70 0.67 0.18 1.11 0.00 0.21 -1.62 120.64 118.50 2gaq n GLU 35 Ca 0.01 0.35 0.05 0.00 0.00 0.00 0.00 57.16 57.57 2gaq n GLU 35 Cb 0.26 -1.68 0.34 0.00 0.00 0.00 0.00 31.44 30.35 2gaq n GLU 35 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.13 176.89 2gaq h VAL 36 N -0.38 0.99 0.00 6.31 3.04 -1.46 -2.80 116.25 121.95 2gaq h VAL 36 Ca -0.44 -1.52 -0.03 0.00 -1.01 0.00 0.00 66.70 63.69 2gaq h VAL 36 Cb 1.75 1.89 -0.01 0.00 -2.01 0.00 0.00 31.29 32.91 2gaq h VAL 36 CO -0.07 0.39 -0.55 0.25 -1.01 0.00 0.00 177.57 176.58 2gaq h LEU 37 N 0.00 0.00 -0.53 3.16 5.85 -1.23 -3.32 115.31 119.25 2gaq h LEU 37 Ca -0.00 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.82 2gaq h LEU 37 Cb 0.86 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.80 2gaq h LEU 37 CO 0.05 0.14 -0.06 -0.08 -0.34 0.00 0.00 178.44 178.15 2gaq h GLU 38 N 0.00 0.05 -0.13 1.25 4.22 -1.01 0.57 114.58 119.53 2gaq h GLU 38 Ca -0.02 -0.00 -0.18 0.00 0.08 0.00 0.00 59.36 59.24 2gaq h GLU 38 Cb 1.12 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 2gaq h GLU 38 CO 0.02 0.04 -0.67 -1.00 -2.18 0.00 0.00 179.01 175.21 2gaq h PRO 39 N 0.06 0.54 0.00 0.92 0.13 -1.71 -2.96 132.00 128.97 2gaq h PRO 39 Ca 0.26 -0.40 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 2gaq h PRO 39 Cb 0.41 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.61 2gaq h PRO 39 CO -0.50 1.02 0.00 -0.07 -0.23 0.00 0.00 178.00 178.23 2gaq h LEU 40 N 0.39 0.00 0.08 1.56 3.38 -1.17 0.65 115.31 120.20 2gaq h LEU 40 Ca -0.02 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 2gaq h LEU 40 Cb 1.25 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.01 2gaq h LEU 40 CO 0.12 0.00 -0.66 -0.74 0.09 0.00 0.00 178.44 177.26 2gaq h HIS 41 N 0.00 0.50 0.25 1.13 -0.00 0.21 -3.19 115.15 114.05 2gaq h HIS 41 Ca 0.00 -0.33 -0.33 0.00 -0.00 0.00 0.00 60.37 59.71 2gaq h HIS 41 Cb 0.22 -0.03 0.04 0.00 -0.00 0.00 0.00 27.41 27.64 2gaq h HIS 41 CO 0.00 1.22 -1.45 0.00 -0.00 0.00 0.00 177.93 177.70 2gaq h ALA 42 N 0.15 -0.16 0.00 5.26 0.00 -1.05 -2.24 119.26 121.22 2gaq h ALA 42 Ca -0.11 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 53.96 2gaq h ALA 42 Cb 1.46 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.43 2gaq h ALA 42 CO 0.13 0.68 0.00 -1.33 0.00 0.00 0.00 179.25 178.72 2gaq n MET 43 N -3.74 0.28 -0.05 0.00 2.00 0.21 -1.79 117.12 114.03 2gaq n MET 43 Ca -0.17 0.10 -0.05 0.00 0.00 0.00 0.00 57.70 57.57 2gaq n MET 43 Cb 1.09 -1.50 -0.09 0.00 0.00 0.00 0.00 33.22 32.72 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 -1.17 2.21 0.06 0.03 0.00 -1.18 -4.72 117.12 112.35 2gaq n MET 44 Ca 0.08 -0.01 -0.17 0.00 0.00 0.00 0.00 57.70 57.60 2gaq n MET 44 Cb 0.08 -1.28 -0.08 0.00 0.00 0.00 0.00 33.22 31.94 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 0.54 -0.87 2.12 4.22 -0.72 -2.93 114.58 116.94 2gaq h GLU 45 Ca -0.30 -0.59 0.25 0.00 0.08 0.00 0.00 59.36 58.80 2gaq h GLU 45 Cb 1.68 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 31.06 2gaq h GLU 45 CO 0.02 1.22 0.69 -0.09 -2.18 0.00 0.00 179.01 178.67 2gaq h ARG 46 N 0.29 0.00 0.00 1.92 9.65 -1.66 -3.48 114.38 121.11 2gaq h ARG 46 Ca -0.11 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.77 2gaq h ARG 46 Cb 1.66 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.24 2gaq h ARG 46 CO 0.19 0.00 0.00 0.41 2.80 0.00 0.00 179.97 183.37 2gaq n GLY 47 N -1.68 -2.12 3.74 2.80 0.00 -1.11 -4.99 105.19 101.84 2gaq n GLY 47 Ca 0.18 -1.50 -0.31 0.00 0.00 0.00 0.00 46.02 44.40 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 -3.00 1.85 0.04 1.61 0.04 -1.26 -5.01 135.00 129.27 2gaq s PRO 48 Ca 0.00 1.16 -0.01 0.00 0.04 0.00 0.00 61.00 62.19 2gaq s PRO 48 Cb 0.00 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.68 2gaq s PRO 48 CO 0.00 -1.93 -0.02 0.00 0.04 0.00 0.00 177.00 175.09 2gaq n GLN 49 N -3.72 0.04 0.00 4.56 10.64 -1.26 -5.05 117.38 122.59 2gaq n GLN 49 Ca 0.09 0.02 0.00 0.00 -1.83 0.00 0.00 57.00 55.28 2gaq n GLN 49 Cb 0.53 -0.56 0.00 0.00 -0.86 0.00 0.00 30.24 29.35 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 -3.35 0.00 -2.12 -0.39 5.66 -1.26 -5.07 114.28 107.75 2gaq n THR 50 Ca -0.02 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 60.97 2gaq n THR 50 Cb 0.25 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.03 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 -0.15 -0.01 1.09 7.94 -1.26 -5.00 117.00 119.60 2gaq n LEU 51 Ca 0.00 -0.83 -0.02 0.00 -1.11 0.00 0.00 56.01 54.05 2gaq n LEU 51 Cb 0.00 0.52 -0.01 0.00 0.53 0.00 0.00 43.42 44.46 2gaq n LEU 51 CO 0.00 0.89 -0.59 0.29 -1.11 0.00 0.00 177.39 176.87 2gaq n LYS 52 N -0.11 0.07 -0.89 1.96 5.02 -1.26 -4.81 118.16 118.14 2gaq n LYS 52 Ca -0.03 0.02 -0.26 0.00 -2.02 0.00 0.00 58.31 56.02 2gaq n LYS 52 Cb 0.44 -1.02 -0.02 0.00 -0.02 0.00 0.00 35.03 34.41 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 -2.62 2.52 -0.88 1.97 0.00 -1.26 -3.58 120.64 116.78 2gaq n GLU 53 Ca -0.05 -1.64 -0.05 0.00 0.00 0.00 0.00 57.16 55.42 2gaq n GLU 53 Cb 0.55 -2.53 -0.05 0.00 0.00 0.00 0.00 31.44 29.40 2gaq n GLU 53 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 2gaq n THR 54 N 3.99 0.00 0.07 3.84 5.66 -1.26 -4.78 114.28 121.80 2gaq n THR 54 Ca 0.54 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.50 2gaq n THR 54 Cb 0.17 0.38 0.20 0.00 -1.55 0.00 0.00 70.33 69.53 2gaq n THR 54 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2gaq h SER 55 N 0.00 0.32 0.04 1.09 0.02 -1.95 -0.83 113.55 112.24 2gaq h SER 55 Ca -0.44 -0.14 -0.14 0.00 -0.84 0.00 0.00 61.79 60.24 2gaq h SER 55 Cb 1.23 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 2gaq h SER 55 CO -0.22 0.70 -0.71 2.19 -1.14 0.00 0.00 176.83 177.65 2gaq h PHE 56 N 0.25 0.14 0.00 3.45 -0.00 -1.93 -3.34 116.94 115.51 2gaq h PHE 56 Ca 0.02 -0.10 -0.01 0.00 -0.00 0.00 0.00 57.97 57.88 2gaq h PHE 56 Cb 0.84 -0.01 -0.00 0.00 -0.00 0.00 0.00 35.95 36.78 2gaq h PHE 56 CO 0.02 1.28 -0.07 -0.97 -0.00 0.00 0.00 178.31 178.57 2gaq h ASN 57 N -0.81 0.00 -0.89 -0.68 -0.73 -1.92 -0.74 115.58 109.82 2gaq h ASN 57 Ca -0.17 0.00 0.09 0.00 1.87 0.00 0.00 56.30 58.08 2gaq h ASN 57 Cb 1.30 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 39.81 2gaq h ASN 57 CO -0.03 0.07 0.54 -0.61 -0.37 0.00 0.00 177.43 177.03 2gaq h GLN 58 N 0.00 0.91 0.00 6.67 -0.00 -1.27 -3.39 115.11 118.03 2gaq h GLN 58 Ca -0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.59 2gaq h GLN 58 Cb 0.19 -0.20 0.00 0.00 0.00 0.00 0.00 27.48 27.47 2gaq h GLN 58 CO 0.01 0.60 0.00 0.00 0.00 0.00 0.00 178.83 179.44 2gaq n ALA 59 N -2.36 0.94 -2.30 3.38 0.00 -0.59 -5.01 120.51 114.57 2gaq n ALA 59 Ca 0.14 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.52 2gaq n ALA 59 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 2gaq n ALA 59 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2gaq n TYR 60 N -1.24 -0.49 0.10 0.00 4.19 -0.39 -4.69 117.16 114.65 2gaq n TYR 60 Ca 0.00 0.20 0.18 0.00 3.31 0.00 0.00 57.90 61.59 2gaq n TYR 60 Cb 0.00 -0.50 0.53 0.00 0.49 0.00 0.00 39.34 39.86 2gaq n TYR 60 CO 0.00 0.00 0.00 0.78 0.91 0.00 0.00 176.86 178.55 2gaq h GLY 61 N 0.62 0.00 0.58 2.98 0.00 -1.94 0.46 103.07 105.77 2gaq h GLY 61 Ca -0.13 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.06 2gaq h GLY 61 CO 0.07 0.00 -1.65 0.54 0.00 0.00 0.00 176.54 175.50 2gaq n ARG 62 N -3.17 0.64 -1.61 4.80 5.12 -1.26 -5.09 116.66 116.10 2gaq n ARG 62 Ca 0.09 0.06 0.00 0.00 -1.93 0.00 0.00 57.85 56.07 2gaq n ARG 62 Cb 0.90 -1.69 0.00 0.00 -1.16 0.00 0.00 32.46 30.51 2gaq n ARG 62 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2gaq n ASP 63 N -2.68 -6.13 -0.10 0.55 2.03 0.16 -4.53 116.55 105.86 2gaq n ASP 63 Ca -0.11 0.94 -0.12 0.00 0.52 0.00 0.00 54.79 56.02 2gaq n ASP 63 Cb 0.78 -3.34 -0.04 0.00 -0.72 0.00 0.00 41.12 37.80 2gaq n ASP 63 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2gaq h LEU 64 N 2.41 0.66 -1.66 -2.67 6.46 -1.93 -0.52 115.31 118.06 2gaq h LEU 64 Ca 0.00 -0.40 0.27 0.00 -0.12 0.00 0.00 57.88 57.62 2gaq h LEU 64 Cb 0.00 -0.18 -0.07 0.00 -0.73 0.00 0.00 40.66 39.68 2gaq h LEU 64 CO 0.00 0.92 0.69 -0.03 -0.62 0.00 0.00 178.44 179.39 2gaq h MET 65 N 0.40 0.22 0.05 1.25 4.05 -1.97 0.34 114.93 119.27 2gaq h MET 65 Ca 0.07 -0.01 -0.16 0.00 -0.28 0.00 0.00 59.70 59.31 2gaq h MET 65 Cb 0.66 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.41 2gaq h MET 65 CO 0.04 0.15 -0.83 0.93 0.23 0.00 0.00 176.91 177.43 2gaq h GLU 66 N 0.23 0.11 -0.40 0.39 5.08 -1.77 0.42 114.58 118.64 2gaq h GLU 66 Ca 0.53 -0.19 0.12 0.00 -1.00 0.00 0.00 59.36 58.82 2gaq h GLU 66 Cb 1.64 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.95 2gaq h GLU 66 CO -0.15 1.09 0.35 0.00 -1.00 0.00 0.00 179.01 179.30 2gaq h ALA 67 N -0.13 2.21 0.00 3.43 0.00 0.20 -1.96 119.26 123.02 2gaq h ALA 67 Ca -0.19 -0.01 -0.38 0.00 0.00 0.00 0.00 54.91 54.33 2gaq h ALA 67 Cb 1.38 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.15 2gaq h ALA 67 CO -0.02 -0.56 -2.06 0.94 0.00 0.00 0.00 179.25 177.55 2gaq n GLN 68 N -4.03 0.59 -0.41 0.00 0.00 0.11 -4.52 117.38 109.12 2gaq n GLN 68 Ca 0.07 0.37 0.39 0.00 -0.00 0.00 0.00 57.00 57.84 2gaq n GLN 68 Cb 0.54 -1.59 0.72 0.00 0.00 0.00 0.00 30.24 29.90 2gaq n GLN 68 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 2gaq h GLU 69 N -0.92 0.00 -1.74 3.69 5.08 0.62 0.50 114.58 121.81 2gaq h GLU 69 Ca -0.56 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 57.61 2gaq h GLU 69 Cb 1.53 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.70 2gaq h GLU 69 CO -0.32 0.00 0.23 0.91 -1.00 0.00 0.00 179.01 178.83 2gaq n TRP 70 N -3.86 0.87 -0.07 4.33 8.01 -0.98 -4.07 117.44 121.67 2gaq n TRP 70 Ca 0.31 -1.55 -0.22 0.00 -1.31 0.00 0.00 57.50 54.73 2gaq n TRP 70 Cb 1.54 -0.77 -0.12 0.00 -2.01 0.00 0.00 31.31 29.94 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 -0.65 0.00 0.00 0.00 2.43 -1.83 0.31 114.38 114.63 2gaq h ARG 72 Ca -0.37 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.69 2gaq h ARG 72 Cb 1.54 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.07 2gaq h ARG 72 CO -0.11 0.00 -0.78 0.87 -1.51 0.00 0.00 179.97 178.44 2gaq h LYS 73 N 0.00 0.00 -0.10 0.20 6.56 -1.84 -3.39 116.57 118.01 2gaq h LYS 73 Ca 0.00 0.00 0.03 0.00 -1.06 0.00 0.00 60.65 59.62 2gaq h LYS 73 Cb 0.02 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.68 2gaq h LYS 73 CO -0.00 0.57 0.25 -0.92 -2.06 0.00 0.00 179.45 177.29 2gaq h TYR 74 N -1.00 0.00 -0.41 -1.35 3.20 0.05 0.51 116.97 117.97 2gaq h TYR 74 Ca -0.17 0.00 0.12 0.00 3.14 0.00 0.00 58.73 61.82 2gaq h TYR 74 Cb 0.89 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.15 2gaq h TYR 74 CO -0.00 0.00 0.36 1.98 -1.64 0.00 0.00 178.16 178.86 2gaq h MET 75 N 0.00 0.00 0.00 1.82 4.05 -0.59 -3.38 114.93 116.83 2gaq h MET 75 Ca 0.05 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 2gaq h MET 75 Cb 0.54 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.34 2gaq h MET 75 CO -0.00 0.00 0.00 1.63 0.23 0.00 0.00 176.91 178.77 2gaq n LYS 76 N -4.02 0.00 -0.26 0.39 5.02 -0.53 -4.96 118.16 113.80 2gaq n LYS 76 Ca 0.07 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.31 2gaq n LYS 76 Cb 0.54 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.61 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 0.85 1.29 4.39 0.87 -0.80 -2.37 113.55 117.79 2gaq h SER 77 Ca 0.00 -0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.46 2gaq h SER 77 Cb 0.00 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 2gaq h SER 77 CO 0.00 0.66 -0.72 1.23 -0.53 0.00 0.00 176.83 177.47 2gaq h GLY 78 N 0.97 0.00 -0.82 5.77 0.00 -0.44 -3.48 103.07 105.08 2gaq h GLY 78 Ca 0.26 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.69 2gaq h GLY 78 CO -0.05 0.00 -0.13 0.70 0.00 0.00 0.00 176.54 177.06 2gaq n ASN 79 N -2.89 -5.94 0.18 0.19 4.13 -0.89 -1.38 115.26 108.66 2gaq n ASN 79 Ca -0.00 0.39 0.18 0.00 1.68 0.00 0.00 54.58 56.84 2gaq n ASN 79 Cb 0.61 -1.12 0.78 0.00 -1.54 0.00 0.00 39.78 38.50 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 -0.34 0.27 0.00 2.41 2.07 -1.90 0.26 116.25 119.02 2gaq h VAL 80 Ca 0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 2gaq h VAL 80 Cb 0.33 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 2gaq h VAL 80 CO 0.00 0.00 -0.00 0.11 0.02 0.00 0.00 177.57 177.70 2gaq h LYS 81 N 0.00 0.00 0.03 1.57 1.79 -1.97 0.26 116.57 118.25 2gaq h LYS 81 Ca 0.12 0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 58.23 2gaq h LYS 81 Cb 0.88 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.47 2gaq h LYS 81 CO -0.00 0.00 -2.20 -3.47 -1.08 0.00 0.00 179.45 172.70 2gaq n ASP 82 N -3.14 1.19 -0.12 0.86 2.03 0.06 -4.48 116.55 112.96 2gaq n ASP 82 Ca -0.03 0.09 -0.10 0.00 0.52 0.00 0.00 54.79 55.27 2gaq n ASP 82 Cb 0.09 -0.01 0.04 0.00 -0.72 0.00 0.00 41.12 40.52 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 0.01 0.91 -1.91 -2.67 7.12 -0.88 -0.76 115.31 117.13 2gaq h LEU 83 Ca -0.48 -0.36 0.31 0.00 0.13 0.00 0.00 57.88 57.49 2gaq h LEU 83 Cb 2.06 -0.25 -0.04 0.00 -0.53 0.00 0.00 40.66 41.89 2gaq h LEU 83 CO 0.02 1.11 0.84 0.00 -0.13 0.00 0.00 178.44 180.28 2gaq h THR 84 N 0.75 0.36 0.02 1.05 1.03 -0.78 0.48 112.91 115.82 2gaq h THR 84 Ca 0.09 0.00 -0.31 0.00 -0.01 0.00 0.00 66.41 66.18 2gaq h THR 84 Cb 0.82 0.40 -0.04 0.00 -1.07 0.00 0.00 68.15 68.25 2gaq h THR 84 CO 0.07 0.00 -1.70 0.00 -0.01 0.00 0.00 175.52 173.88 2gaq n GLN 85 N -4.02 0.60 -0.12 0.00 6.02 -0.83 -3.20 117.38 115.84 2gaq n GLN 85 Ca 0.23 0.45 0.15 0.00 -0.01 0.00 0.00 57.00 57.82 2gaq n GLN 85 Cb 1.20 -1.68 0.52 0.00 1.02 0.00 0.00 30.24 31.30 2gaq n GLN 85 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2gaq h ALA 86 N -0.50 2.13 -0.42 -1.58 0.00 -0.37 0.16 119.26 118.68 2gaq h ALA 86 Ca -0.45 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 2gaq h ALA 86 Cb 1.50 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 2gaq h ALA 86 CO -0.21 -0.31 0.17 2.35 0.00 0.00 0.00 179.25 181.25 2gaq h TRP 87 N 0.37 0.63 -0.38 0.00 2.91 -0.23 0.15 115.95 119.40 2gaq h TRP 87 Ca 0.33 -0.05 -0.06 0.00 1.13 0.00 0.00 58.89 60.25 2gaq h TRP 87 Cb 0.78 -0.19 -0.02 0.00 -0.51 0.00 0.00 29.16 29.22 2gaq h TRP 87 CO -0.00 0.55 0.00 0.22 -1.03 0.00 0.00 178.44 178.18 2gaq h ASP 88 N 0.53 0.57 -0.11 2.65 3.58 -0.75 0.59 116.42 123.49 2gaq h ASP 88 Ca 0.14 -0.12 -0.14 0.00 0.42 0.00 0.00 57.03 57.34 2gaq h ASP 88 Cb 0.18 -0.15 0.01 0.00 1.72 0.00 0.00 39.33 41.09 2gaq h ASP 88 CO -0.01 0.64 -0.47 -0.07 -2.88 0.00 0.00 179.24 176.45 2gaq h LEU 89 N 0.58 0.59 -0.67 2.28 3.38 -0.33 0.58 115.31 121.71 2gaq h LEU 89 Ca 0.12 -0.63 -0.01 0.00 0.09 0.00 0.00 57.88 57.45 2gaq h LEU 89 Cb 0.36 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2gaq h LEU 89 CO 0.01 1.13 0.38 1.88 0.09 0.00 0.00 178.44 181.93 2gaq h TYR 90 N 0.10 0.91 -0.00 1.13 0.05 -0.36 0.55 116.97 119.35 2gaq h TYR 90 Ca -0.03 -0.02 -0.26 0.00 0.05 0.00 0.00 58.73 58.48 2gaq h TYR 90 Cb 1.11 -0.29 0.02 0.00 1.01 0.00 0.00 36.73 38.58 2gaq h TYR 90 CO 0.11 0.64 -1.00 -0.92 -1.05 0.00 0.00 178.16 175.94 2gaq h TYR 91 N 0.91 1.01 -0.45 4.88 3.20 0.26 0.12 116.97 126.91 2gaq h TYR 91 Ca 0.24 -0.55 -0.07 0.00 3.14 0.00 0.00 58.73 61.49 2gaq h TYR 91 Cb 0.02 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.16 2gaq h TYR 91 CO -0.01 1.38 0.02 1.25 -1.64 0.00 0.00 178.16 179.17 2gaq h HIS 92 N 0.35 0.83 0.02 -3.82 2.76 0.36 -2.48 115.15 113.17 2gaq h HIS 92 Ca -0.12 -0.14 -0.20 0.00 -2.20 0.00 0.00 60.37 57.70 2gaq h HIS 92 Cb 1.66 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 30.38 2gaq h HIS 92 CO 0.11 0.81 -0.93 -0.24 -1.30 0.00 0.00 177.93 176.37 2gaq h VAL 93 N 0.62 1.55 -0.63 5.26 3.04 -1.00 -3.34 116.25 121.75 2gaq h VAL 93 Ca 0.13 -2.85 0.16 0.00 -1.01 0.00 0.00 66.70 63.12 2gaq h VAL 93 Cb 0.46 2.60 -0.12 0.00 -2.01 0.00 0.00 31.29 32.22 2gaq h VAL 93 CO 0.02 0.83 -0.05 0.33 -1.01 0.00 0.00 177.57 177.68 2gaq n PHE 94 N -3.57 0.34 -0.34 3.17 -0.00 0.41 0.41 117.46 117.88 2gaq n PHE 94 Ca -0.03 0.77 -0.01 0.00 -0.00 0.00 0.00 57.45 58.17 2gaq n PHE 94 Cb 0.85 -0.94 0.11 0.00 -0.00 0.00 0.00 39.48 39.51 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 1.13 0.49 -4.13 3.08 -1.68 0.63 114.38 113.91 2gaq h ARG 95 Ca 0.36 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.31 2gaq h ARG 95 Cb 0.67 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2gaq h ARG 95 CO -0.62 0.75 -0.24 -0.09 -1.07 0.00 0.00 179.97 178.70 2gaq h ARG 96 N 1.16 -0.64 0.00 0.04 2.43 -0.26 -3.13 114.38 113.98 2gaq h ARG 96 Ca 0.36 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.57 2gaq h ARG 96 Cb -0.03 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 2gaq h ARG 96 CO -0.11 -0.41 0.00 0.44 -1.51 0.00 0.00 179.97 178.38 2gaq n ILE 97 N -5.22 0.00 0.00 1.20 -6.64 0.67 -3.36 119.36 106.02 2gaq n ILE 97 Ca -0.08 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.90 2gaq n ILE 97 Cb 0.27 -0.23 0.00 0.00 -1.44 0.00 0.00 39.64 38.24 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 -0.52 0.00 -2.51 7.28 2.88 0.22 -4.33 113.62 116.63 2gaq n SER 98 Ca 0.01 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.52 2gaq n SER 98 Cb 0.00 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 63.56 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 -0.59 1.04 0.00 -1.46 2.85 -1.25 -4.95 118.16 113.80 2gaq n LYS 99 Ca 0.00 -1.15 0.00 0.00 -1.05 0.00 0.00 58.31 56.11 2gaq n LYS 99 Cb 0.00 0.22 0.00 0.00 -0.65 0.00 0.00 35.03 34.60 2gaq n LYS 99 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29