#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3grx n ASN 2 N 0.00 5.74 -4.61 0.00 5.15 -1.26 -4.92 115.26 115.36 3grx n ASN 2 Ca 0.00 -3.35 -0.43 0.00 -0.60 0.00 0.00 54.58 50.20 3grx n ASN 2 Cb 0.00 -1.17 -0.02 0.00 -0.53 0.00 0.00 39.78 38.05 3grx n ASN 2 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3grx s VAL 3 N -2.45 3.88 0.01 3.44 1.01 -1.26 -2.60 120.40 122.43 3grx s VAL 3 Ca 0.32 0.94 -0.02 0.00 0.00 0.00 0.00 61.98 63.22 3grx s VAL 3 Cb 0.04 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 3grx s VAL 3 CO 0.05 -0.59 0.17 -1.61 0.00 0.00 0.00 175.10 173.11 3grx s GLU 4 N 4.80 3.35 -0.22 2.72 2.02 0.37 -0.70 118.70 131.04 3grx s GLU 4 Ca 0.64 -0.38 -0.03 0.00 0.02 0.00 0.00 54.97 55.21 3grx s GLU 4 Cb -0.17 -3.03 0.10 0.00 0.10 0.00 0.00 34.13 31.13 3grx s GLU 4 CO 0.30 0.66 0.22 -1.50 0.02 0.00 0.00 175.26 174.96 3grx s ILE 5 N -1.33 -0.31 0.23 -1.63 2.07 -0.14 -1.02 121.20 119.06 3grx s ILE 5 Ca 0.28 -0.22 -0.30 0.00 -1.41 0.00 0.00 60.65 59.00 3grx s ILE 5 Cb -0.13 -0.74 -0.09 0.00 0.13 0.00 0.00 42.46 41.63 3grx s ILE 5 CO 0.19 -0.29 1.10 -0.31 -1.91 0.00 0.00 174.94 173.73 3grx s TYR 6 N 2.31 3.59 0.25 3.50 1.51 0.18 -0.67 117.35 128.02 3grx s TYR 6 Ca 0.07 1.64 -0.04 0.00 -1.01 0.00 0.00 57.07 57.73 3grx s TYR 6 Cb -0.15 -3.28 -0.02 0.00 -0.11 0.00 0.00 41.96 38.39 3grx s TYR 6 CO -0.17 -0.60 0.31 0.95 -1.11 0.00 0.00 175.55 174.93 3grx s THR 7 N -0.67 0.00 -0.06 -0.71 -4.23 -0.23 -2.89 115.64 106.84 3grx s THR 7 Ca 0.47 -1.76 -0.03 0.00 -1.18 0.00 0.00 61.69 59.20 3grx s THR 7 Cb -0.31 -2.44 0.04 0.00 1.34 0.00 0.00 72.50 71.13 3grx s THR 7 CO 0.38 0.00 0.14 -0.75 -0.54 0.00 0.00 174.62 173.84 3grx s LYS 8 N -3.84 0.08 -1.05 3.99 2.20 -1.26 -0.57 119.74 119.29 3grx s LYS 8 Ca 0.33 0.36 -0.24 0.00 -0.36 0.00 0.00 55.97 56.05 3grx s LYS 8 Cb 0.03 -0.18 -0.12 0.00 -1.51 0.00 0.00 37.83 36.05 3grx s LYS 8 CO 0.14 -0.16 2.03 -2.00 -0.36 0.00 0.00 175.35 175.00 3grx s GLU 9 N 1.15 2.10 0.00 4.03 2.12 -1.26 -2.33 118.70 124.50 3grx s GLU 9 Ca -0.09 -0.60 0.00 0.00 0.36 0.00 0.00 54.97 54.64 3grx s GLU 9 Cb -0.12 -5.09 0.00 0.00 0.26 0.00 0.00 34.13 29.19 3grx s GLU 9 CO -0.06 -4.26 0.00 -2.37 -0.54 0.00 0.00 175.26 168.03 3grx n THR 10 N 8.22 0.00 -1.80 -1.70 5.66 -1.26 -5.09 114.28 118.31 3grx n THR 10 Ca 0.43 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 61.00 3grx n THR 10 Cb 0.46 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.21 3grx n THR 10 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3grx h PRO 12 N 13.82 0.00 -0.69 0.00 0.13 -1.98 -1.79 132.00 141.49 3grx h PRO 12 Ca -0.38 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.83 3grx h PRO 12 Cb 1.20 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 3grx h PRO 12 CO 0.99 0.49 0.37 -0.92 -0.23 0.00 0.00 178.00 178.70 3grx h TYR 13 N 0.00 0.67 -0.19 1.56 3.20 -1.91 0.31 116.97 120.60 3grx h TYR 13 Ca -0.00 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.91 3grx h TYR 13 Cb 0.94 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.99 3grx h TYR 13 CO 0.00 0.28 0.07 1.03 -1.64 0.00 0.00 178.16 177.90 3grx h SER 14 N 0.65 0.07 -0.10 -2.11 0.87 -1.61 -2.89 113.55 108.43 3grx h SER 14 Ca 0.32 0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.83 3grx h SER 14 Cb 0.27 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 3grx h SER 14 CO -0.22 0.07 -0.15 0.45 -0.53 0.00 0.00 176.83 176.45 3grx h HIS 15 N 0.16 0.51 -0.46 2.24 3.86 -0.39 -2.63 115.15 118.43 3grx h HIS 15 Ca 0.08 -0.08 0.09 0.00 -1.16 0.00 0.00 60.37 59.30 3grx h HIS 15 Cb 0.05 -0.13 -0.09 0.00 1.06 0.00 0.00 27.41 28.30 3grx h HIS 15 CO -0.12 0.61 -0.13 0.00 0.86 0.00 0.00 177.93 179.15 3grx h ARG 16 N 0.43 -0.01 -0.10 2.45 3.08 -0.34 -2.89 114.38 117.00 3grx h ARG 16 Ca 0.08 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.16 3grx h ARG 16 Cb 0.52 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.57 3grx h ARG 16 CO 0.03 -0.01 0.10 0.00 -1.07 0.00 0.00 179.97 179.03 3grx h ALA 17 N 1.43 1.74 0.00 0.04 0.00 -1.26 0.04 119.26 121.25 3grx h ALA 17 Ca 0.22 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.96 3grx h ALA 17 Cb 0.35 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3grx h ALA 17 CO -0.48 -0.15 -0.80 0.87 0.00 0.00 0.00 179.25 178.68 3grx h LYS 18 N 0.00 0.02 -0.51 0.00 6.56 -1.61 -2.29 116.57 118.74 3grx h LYS 18 Ca 0.05 -0.02 -0.04 0.00 -1.06 0.00 0.00 60.65 59.57 3grx h LYS 18 Cb 0.25 0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 31.89 3grx h LYS 18 CO -0.00 0.81 0.14 0.00 -2.06 0.00 0.00 179.45 178.34 3grx h ALA 19 N 1.18 1.28 0.44 3.86 0.00 -1.04 0.25 119.26 125.24 3grx h ALA 19 Ca -0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3grx h ALA 19 Cb 1.42 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3grx h ALA 19 CO 0.11 0.51 -0.21 1.25 0.00 0.00 0.00 179.25 180.90 3grx h LEU 20 N 0.75 -0.50 -1.03 0.00 7.12 -1.38 0.11 115.31 120.37 3grx h LEU 20 Ca 0.17 -0.09 -0.08 0.00 0.13 0.00 0.00 57.88 58.01 3grx h LEU 20 Cb 0.26 0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 40.50 3grx h LEU 20 CO -0.00 -0.16 -0.13 -0.07 -0.13 0.00 0.00 178.44 177.94 3grx h LEU 21 N -0.88 0.53 -0.53 2.25 3.38 -1.31 -1.72 115.31 117.03 3grx h LEU 21 Ca -0.06 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 3grx h LEU 21 Cb 0.57 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3grx h LEU 21 CO 0.10 0.69 -0.24 -1.28 0.09 0.00 0.00 178.44 177.80 3grx h SER 22 N 0.50 0.00 -0.93 -0.43 0.87 -0.53 0.21 113.55 113.24 3grx h SER 22 Ca 0.09 0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.73 3grx h SER 22 Cb 0.52 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.41 3grx h SER 22 CO 0.03 0.24 0.58 -1.28 -0.53 0.00 0.00 176.83 175.87 3grx h SER 23 N 0.00 0.89 -0.07 6.23 0.87 0.17 -1.89 113.55 119.76 3grx h SER 23 Ca -0.00 0.03 -0.10 0.00 -1.23 0.00 0.00 61.79 60.48 3grx h SER 23 Cb 0.99 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.79 3grx h SER 23 CO 0.03 0.54 -0.35 0.11 -0.53 0.00 0.00 176.83 176.64 3grx h LYS 24 N 1.01 0.36 -3.40 2.24 6.56 -1.33 -3.49 116.57 118.52 3grx h LYS 24 Ca 0.42 -0.29 0.00 0.00 -1.06 0.00 0.00 60.65 59.72 3grx h LYS 24 Cb 0.26 0.06 0.00 0.00 -0.57 0.00 0.00 32.23 31.98 3grx h LYS 24 CO -0.20 0.94 -0.05 0.41 -2.06 0.00 0.00 179.45 178.49 3grx n GLY 25 N 0.73 -0.66 3.76 3.86 0.00 0.04 -5.10 105.19 107.81 3grx n GLY 25 Ca -0.08 0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 3grx n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3grx s VAL 26 N -2.00 4.31 -1.37 1.61 1.01 -1.20 -5.03 120.40 117.74 3grx s VAL 26 Ca 0.03 -1.06 -0.16 0.00 0.00 0.00 0.00 61.98 60.79 3grx s VAL 26 Cb -0.01 -3.15 0.06 0.00 0.00 0.00 0.00 36.38 33.28 3grx s VAL 26 CO 0.13 -0.03 1.95 -1.20 0.00 0.00 0.00 175.10 175.95 3grx n SER 27 N -0.02 4.49 -4.55 3.32 7.64 -1.26 -4.90 113.62 118.33 3grx n SER 27 Ca -0.09 -2.89 -0.29 0.00 1.01 0.00 0.00 58.87 56.61 3grx n SER 27 Cb 0.54 -1.70 0.16 0.00 -1.01 0.00 0.00 64.21 62.19 3grx n SER 27 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 3grx s PHE 28 N 3.66 2.09 -0.26 1.43 -0.12 -1.26 -4.48 117.98 119.04 3grx s PHE 28 Ca 0.50 0.72 0.00 0.00 -0.05 0.00 0.00 56.93 58.11 3grx s PHE 28 Cb 0.08 -3.51 0.08 0.00 -0.63 0.00 0.00 43.02 39.04 3grx s PHE 28 CO 0.00 -2.62 0.01 -1.14 -0.05 0.00 0.00 175.22 171.43 3grx s GLN 29 N -5.40 1.22 0.40 1.99 2.00 0.12 -4.98 119.66 115.02 3grx s GLN 29 Ca 0.66 -1.03 -0.24 0.00 -2.00 0.00 0.00 55.36 52.75 3grx s GLN 29 Cb -0.12 -2.44 -0.09 0.00 0.80 0.00 0.00 33.01 31.16 3grx s GLN 29 CO 0.54 -0.75 1.03 -2.00 -0.50 0.00 0.00 175.29 173.61 3grx s GLU 30 N 1.46 4.16 -0.39 1.67 2.12 -1.26 -0.96 118.70 125.50 3grx s GLU 30 Ca 0.01 1.45 0.03 0.00 0.36 0.00 0.00 54.97 56.82 3grx s GLU 30 Cb -0.18 -2.49 0.11 0.00 0.26 0.00 0.00 34.13 31.83 3grx s GLU 30 CO -0.12 -0.13 0.14 -0.51 -0.54 0.00 0.00 175.26 174.10 3grx s LEU 31 N -2.73 3.69 0.31 2.70 2.01 0.15 -4.87 118.68 119.95 3grx s LEU 31 Ca 0.59 -2.31 -0.29 0.00 0.01 0.00 0.00 54.13 52.12 3grx s LEU 31 Cb -0.20 -1.34 -0.12 0.00 0.01 0.00 0.00 46.19 44.54 3grx s LEU 31 CO 0.25 -0.33 1.51 -2.65 1.01 0.00 0.00 176.35 176.14 3grx n PRO 32 N 4.01 2.56 -3.03 1.29 -0.02 -1.26 -1.06 135.00 137.49 3grx n PRO 32 Ca 0.04 0.90 -0.21 0.00 -2.02 0.00 0.00 63.50 62.21 3grx n PRO 32 Cb 0.38 -2.64 -0.03 0.00 -0.02 0.00 0.00 33.50 31.20 3grx n PRO 32 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3grx n ILE 33 N 1.48 1.15 -4.02 4.25 -5.35 0.27 -4.87 119.36 112.27 3grx n ILE 33 Ca 0.07 -4.82 -0.34 0.00 -0.27 0.00 0.00 62.75 57.39 3grx n ILE 33 Cb 0.37 -0.62 -0.15 0.00 -1.74 0.00 0.00 39.64 37.50 3grx n ILE 33 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3grx s ASP 34 N -2.89 3.83 0.00 7.28 -1.08 -1.26 -4.75 116.67 117.79 3grx s ASP 34 Ca 0.42 -0.69 0.00 0.00 -0.52 0.00 0.00 52.55 51.77 3grx s ASP 34 Cb 0.34 -1.60 0.00 0.00 -1.46 0.00 0.00 42.92 40.20 3grx s ASP 34 CO -0.10 -0.05 0.00 0.61 0.52 0.00 0.00 175.17 176.15 3grx n GLY 35 N 4.67 1.47 3.66 2.66 0.00 -1.26 -4.93 105.19 111.46 3grx n GLY 35 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 3grx n GLY 35 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3grx s ASN 36 N 0.00 6.97 0.10 1.61 2.47 -1.26 -4.94 114.94 119.89 3grx s ASN 36 Ca 0.00 1.20 0.18 0.00 0.42 0.00 0.00 52.86 54.66 3grx s ASN 36 Cb 0.00 -2.47 -0.09 0.00 -1.45 0.00 0.00 41.25 37.23 3grx s ASN 36 CO 0.00 -0.50 0.91 0.00 -3.72 0.00 0.00 177.10 173.79 3grx h ALA 37 N 7.45 0.63 0.78 1.71 0.00 -1.95 -3.34 119.26 124.55 3grx h ALA 37 Ca -0.25 -0.66 -0.04 0.00 0.00 0.00 0.00 54.91 53.96 3grx h ALA 37 Cb 1.10 0.20 0.01 0.00 0.00 0.00 0.00 17.79 19.11 3grx h ALA 37 CO 0.88 0.72 -0.38 0.00 0.00 0.00 0.00 179.25 180.48 3grx h ALA 38 N 1.54 -1.23 0.00 0.00 0.00 -1.98 0.34 119.26 117.93 3grx h ALA 38 Ca -0.12 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 3grx h ALA 38 Cb 1.46 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 3grx h ALA 38 CO 0.04 -1.15 -0.25 -0.22 0.00 0.00 0.00 179.25 177.67 3grx h LYS 39 N -1.10 0.00 -0.03 0.00 3.64 -1.93 0.40 116.57 117.55 3grx h LYS 39 Ca -0.11 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3grx h LYS 39 Cb 0.80 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.62 3grx h LYS 39 CO 0.18 0.25 0.01 -0.09 -2.27 0.00 0.00 179.45 177.53 3grx h ARG 40 N 0.00 0.05 0.00 1.90 9.65 -1.63 -1.08 114.38 123.27 3grx h ARG 40 Ca -0.00 -0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.84 3grx h ARG 40 Cb 0.55 -0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.12 3grx h ARG 40 CO 0.03 0.19 -0.15 1.49 2.80 0.00 0.00 179.97 184.33 3grx h GLU 41 N -0.11 0.00 0.67 0.20 4.81 0.02 -1.19 114.58 118.98 3grx h GLU 41 Ca 0.01 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 3grx h GLU 41 Cb 0.16 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.55 3grx h GLU 41 CO -0.00 0.15 -0.32 1.49 -0.73 0.00 0.00 179.01 179.60 3grx h GLU 42 N 0.00 -0.87 -0.90 1.92 4.57 -0.77 -2.83 114.58 115.70 3grx h GLU 42 Ca -0.00 0.06 0.22 0.00 -1.18 0.00 0.00 59.36 58.46 3grx h GLU 42 Cb 0.65 0.20 -0.12 0.00 -0.16 0.00 0.00 28.75 29.31 3grx h GLU 42 CO 0.02 -0.58 0.40 1.98 -1.18 0.00 0.00 179.01 179.65 3grx h MET 43 N -1.07 0.40 0.18 1.92 4.05 -0.84 0.97 114.93 120.54 3grx h MET 43 Ca -0.09 -0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.32 3grx h MET 43 Cb 0.69 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.37 3grx h MET 43 CO 0.15 0.26 -0.32 0.82 0.23 0.00 0.00 176.91 178.06 3grx h ILE 44 N 0.41 0.33 0.00 1.77 2.04 -1.24 -1.07 117.51 119.75 3grx h ILE 44 Ca 0.56 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.42 3grx h ILE 44 Cb 1.05 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 3grx h ILE 44 CO -0.52 0.00 0.00 0.11 0.00 0.00 0.00 178.15 177.74 3grx h LYS 45 N -0.58 0.00 0.00 2.37 6.56 -0.85 0.28 116.57 124.36 3grx h LYS 45 Ca 0.02 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.60 3grx h LYS 45 Cb 0.58 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.24 3grx h LYS 45 CO -0.15 0.00 -0.02 0.00 -2.06 0.00 0.00 179.45 177.22 3grx h ARG 46 N 0.00 0.00 0.00 3.15 2.47 0.05 -3.41 114.38 116.64 3grx h ARG 46 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3grx h ARG 46 Cb 0.54 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.86 3grx h ARG 46 CO 0.00 0.02 -0.14 -1.13 0.56 0.00 0.00 179.97 179.28 3grx n SER 47 N -3.12 0.70 -0.17 7.04 3.41 -0.49 -4.82 113.62 116.17 3grx n SER 47 Ca 0.01 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.60 3grx n SER 47 Cb 0.33 0.14 -0.01 0.00 -0.26 0.00 0.00 64.21 64.41 3grx n SER 47 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3grx n GLY 48 N 0.38 0.56 2.99 5.00 0.00 0.93 -5.03 105.19 110.02 3grx n GLY 48 Ca 0.00 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 3grx n GLY 48 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3grx s ARG 49 N -1.43 0.33 -0.01 1.61 0.52 -1.24 -5.07 118.95 113.67 3grx s ARG 49 Ca 0.00 -0.61 0.15 0.00 -0.52 0.00 0.00 55.73 54.76 3grx s ARG 49 Cb 0.00 0.04 -0.20 0.00 0.52 0.00 0.00 34.95 35.32 3grx s ARG 49 CO 0.00 -0.03 0.49 0.25 0.02 0.00 0.00 175.30 176.03 3grx n THR 50 N 1.64 0.00 -2.98 0.02 -2.24 -1.26 -3.88 114.28 105.58 3grx n THR 50 Ca -0.23 -0.24 -0.25 0.00 -2.27 0.00 0.00 64.05 61.05 3grx n THR 50 Cb 0.55 0.60 -0.00 0.00 -2.10 0.00 0.00 70.33 69.38 3grx n THR 50 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3grx s THR 51 N -2.72 4.71 0.24 4.28 -4.23 -1.26 -4.99 115.64 111.67 3grx s THR 51 Ca 0.00 -0.22 0.08 0.00 -1.18 0.00 0.00 61.69 60.37 3grx s THR 51 Cb 0.11 -3.76 -0.04 0.00 1.34 0.00 0.00 72.50 70.15 3grx s THR 51 CO 0.62 -0.60 0.13 0.68 -0.54 0.00 0.00 174.62 174.91 3grx s VAL 52 N -2.56 4.14 0.67 2.29 -7.23 -1.26 -4.43 120.40 112.02 3grx s VAL 52 Ca 0.45 -1.52 -0.11 0.00 -1.81 0.00 0.00 61.98 59.00 3grx s VAL 52 Cb -0.10 -3.21 0.00 0.00 0.56 0.00 0.00 36.38 33.63 3grx s VAL 52 CO 0.40 -0.32 1.06 -2.16 -0.31 0.00 0.00 175.10 173.77 3grx s PRO 53 N -3.68 2.99 -0.04 4.82 0.04 -1.26 -4.45 135.00 133.42 3grx s PRO 53 Ca 0.32 0.44 -0.04 0.00 0.04 0.00 0.00 61.00 61.76 3grx s PRO 53 Cb -0.08 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.40 3grx s PRO 53 CO 0.23 -0.91 0.11 -0.65 0.04 0.00 0.00 177.00 175.83 3grx s GLN 54 N -5.28 0.18 0.10 4.56 -0.21 -1.14 -4.27 119.66 113.61 3grx s GLN 54 Ca 0.57 0.07 0.10 0.00 0.02 0.00 0.00 55.36 56.12 3grx s GLN 54 Cb -0.11 0.08 -0.04 0.00 1.00 0.00 0.00 33.01 33.95 3grx s GLN 54 CO 0.51 -0.03 -0.26 0.42 -2.12 0.00 0.00 175.29 173.81 3grx s ILE 55 N -0.15 2.15 -0.12 1.08 1.09 -1.23 -0.64 121.20 123.36 3grx s ILE 55 Ca -0.02 -1.62 -0.04 0.00 -1.10 0.00 0.00 60.65 57.87 3grx s ILE 55 Cb -0.02 -1.89 0.05 0.00 -1.06 0.00 0.00 42.46 39.54 3grx s ILE 55 CO 0.00 0.15 0.07 -0.36 -0.10 0.00 0.00 174.94 174.71 3grx s PHE 56 N -0.99 0.19 -0.35 3.97 0.40 -0.19 -0.79 117.98 120.22 3grx s PHE 56 Ca 0.12 -0.13 -0.09 0.00 -0.60 0.00 0.00 56.93 56.24 3grx s PHE 56 Cb -0.10 -0.63 0.03 0.00 0.51 0.00 0.00 43.02 42.83 3grx s PHE 56 CO 0.05 -0.40 0.15 0.42 0.70 0.00 0.00 175.22 176.14 3grx s ILE 57 N 2.13 4.16 -1.56 0.64 1.01 -0.28 -0.48 121.20 126.82 3grx s ILE 57 Ca 0.03 -0.98 -0.14 0.00 0.00 0.00 0.00 60.65 59.56 3grx s ILE 57 Cb -0.15 -3.33 0.10 0.00 0.01 0.00 0.00 42.46 39.10 3grx s ILE 57 CO -0.07 -0.19 0.94 0.47 0.00 0.00 0.00 174.94 176.10 3grx n ASP 58 N 4.90 -4.47 -3.64 3.58 8.00 -1.07 -1.06 116.55 122.78 3grx n ASP 58 Ca -0.12 -0.82 -0.24 0.00 0.71 0.00 0.00 54.79 54.32 3grx n ASP 58 Cb 0.45 -3.68 0.07 0.00 -0.02 0.00 0.00 41.12 37.94 3grx n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3grx n ALA 59 N -4.63 -1.49 -3.78 2.24 0.00 -1.26 -5.00 120.51 106.59 3grx n ALA 59 Ca 0.04 0.24 -0.35 0.00 0.00 0.00 0.00 53.44 53.37 3grx n ALA 59 Cb 0.52 -4.49 -0.13 0.00 0.00 0.00 0.00 19.45 15.35 3grx n ALA 59 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3grx s GLN 60 N -6.18 2.07 0.07 0.00 -0.21 -0.23 -5.08 119.66 110.10 3grx s GLN 60 Ca 0.45 -1.63 -0.30 0.00 0.02 0.00 0.00 55.36 53.90 3grx s GLN 60 Cb -0.21 -3.37 -0.09 0.00 1.00 0.00 0.00 33.01 30.34 3grx s GLN 60 CO 0.76 -0.88 1.89 -1.58 -2.12 0.00 0.00 175.29 173.36 3grx s HIS 61 N 1.14 1.68 -0.11 0.91 5.65 -1.26 -1.13 115.29 122.17 3grx s HIS 61 Ca 0.04 -0.24 -0.27 0.00 0.25 0.00 0.00 55.06 54.84 3grx s HIS 61 Cb -0.21 -4.20 -0.28 0.00 -1.18 0.00 0.00 32.58 26.71 3grx s HIS 61 CO -0.04 -5.19 0.81 0.82 -0.65 0.00 0.00 174.74 170.50 3grx h ILE 62 N 5.23 1.71 0.00 0.89 1.08 -1.35 -3.49 117.51 121.58 3grx h ILE 62 Ca -0.48 -2.41 0.00 0.00 -0.39 0.00 0.00 64.86 61.59 3grx h ILE 62 Cb 1.23 3.33 0.00 0.00 -3.07 0.00 0.00 36.82 38.31 3grx h ILE 62 CO 0.94 0.64 0.00 0.61 -0.69 0.00 0.00 178.15 179.66 3grx n GLY 63 N 1.62 0.25 0.00 5.37 0.00 -1.26 -4.87 105.19 106.30 3grx n GLY 63 Ca -0.11 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.46 3grx n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3grx n GLY 64 N 0.00 1.03 0.10 -0.02 0.00 -1.26 -3.58 105.19 101.46 3grx n GLY 64 Ca 0.00 -1.93 -0.06 0.00 0.00 0.00 0.00 46.02 44.03 3grx n GLY 64 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3grx h TYR 65 N -0.10 -0.12 0.00 1.61 3.20 -1.91 -2.42 116.97 117.23 3grx h TYR 65 Ca 0.00 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 3grx h TYR 65 Cb 0.00 0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.31 3grx h TYR 65 CO 0.00 0.19 -0.11 -0.44 -1.64 0.00 0.00 178.16 176.16 3grx h ASP 66 N -0.99 0.00 0.63 -2.11 3.32 -1.97 0.11 116.42 115.41 3grx h ASP 66 Ca -0.01 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 3grx h ASP 66 Cb 0.36 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.91 3grx h ASP 66 CO 0.02 0.11 -0.31 0.44 -1.72 0.00 0.00 179.24 177.78 3grx h ASP 67 N 0.00 -0.73 -0.99 6.45 5.19 -1.96 -1.64 116.42 122.73 3grx h ASP 67 Ca -0.00 0.03 0.04 0.00 -0.62 0.00 0.00 57.03 56.48 3grx h ASP 67 Cb 0.28 0.19 -0.06 0.00 0.18 0.00 0.00 39.33 39.92 3grx h ASP 67 CO 0.01 -0.52 0.64 0.25 -3.12 0.00 0.00 179.24 176.51 3grx h LEU 68 N -0.85 1.06 0.02 1.55 5.85 -0.64 0.16 115.31 122.46 3grx h LEU 68 Ca -0.09 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.65 3grx h LEU 68 Cb 0.66 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 3grx h LEU 68 CO 0.14 0.72 -0.22 0.22 -0.34 0.00 0.00 178.44 178.96 3grx h TYR 69 N 1.23 -0.58 -0.36 1.25 5.03 -0.89 0.38 116.97 123.03 3grx h TYR 69 Ca 0.40 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.68 3grx h TYR 69 Cb 0.04 0.25 -0.02 0.00 1.55 0.00 0.00 36.73 38.56 3grx h TYR 69 CO -0.00 -0.31 0.00 0.00 -1.32 0.00 0.00 178.16 176.53 3grx h ALA 70 N 0.49 1.33 -0.51 1.82 0.00 -0.26 -0.92 119.26 121.22 3grx h ALA 70 Ca 0.05 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 3grx h ALA 70 Cb 0.43 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3grx h ALA 70 CO -0.18 0.46 -0.08 1.25 0.00 0.00 0.00 179.25 180.70 3grx h LEU 71 N 0.54 0.90 0.61 0.00 7.12 -0.13 -0.49 115.31 123.86 3grx h LEU 71 Ca 0.11 -0.27 -0.03 0.00 0.13 0.00 0.00 57.88 57.82 3grx h LEU 71 Cb 0.34 -0.24 0.01 0.00 -0.53 0.00 0.00 40.66 40.23 3grx h LEU 71 CO 0.01 1.01 -0.29 -0.78 -0.13 0.00 0.00 178.44 178.26 3grx h ASP 72 N 0.83 -0.69 0.39 1.25 3.58 0.03 0.11 116.42 121.91 3grx h ASP 72 Ca 0.14 0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.57 3grx h ASP 72 Cb 0.60 0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.82 3grx h ASP 72 CO 0.04 -0.49 -0.18 0.00 -2.88 0.00 0.00 179.24 175.73 3grx h ALA 73 N -0.41 1.34 0.00 -0.78 0.00 -0.77 -0.28 119.26 118.35 3grx h ALA 73 Ca -0.08 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3grx h ALA 73 Cb 0.62 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3grx h ALA 73 CO 0.14 0.23 -0.38 2.89 0.00 0.00 0.00 179.25 182.12 3grx n ARG 74 N -3.79 0.28 -1.52 0.00 1.85 -0.23 -4.98 116.66 108.26 3grx n ARG 74 Ca -0.02 0.14 -0.00 0.00 -1.00 0.00 0.00 57.85 56.97 3grx n ARG 74 Cb 0.28 -1.73 0.00 0.00 -1.05 0.00 0.00 32.46 29.96 3grx n ARG 74 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3grx n GLY 75 N 1.33 0.39 0.00 2.89 0.00 -0.12 -5.02 105.19 104.66 3grx n GLY 75 Ca 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3grx n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3grx n GLY 76 N -1.29 0.00 0.18 -0.02 0.00 0.35 -4.62 105.19 99.79 3grx n GLY 76 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 3grx n GLY 76 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3grx h LEU 77 N 0.00 -0.31 -0.28 0.99 6.46 -1.74 -3.34 115.31 117.09 3grx h LEU 77 Ca 0.00 0.00 0.06 0.00 -0.12 0.00 0.00 57.88 57.82 3grx h LEU 77 Cb 0.15 0.08 -0.05 0.00 -0.73 0.00 0.00 40.66 40.11 3grx h LEU 77 CO 0.00 0.15 -0.07 -0.78 -0.62 0.00 0.00 178.44 177.12 3grx h ASP 78 N -1.10 -0.25 0.85 1.25 1.82 -1.83 -1.60 116.42 115.56 3grx h ASP 78 Ca -0.04 0.08 -0.06 0.00 -0.39 0.00 0.00 57.03 56.63 3grx h ASP 78 Cb 0.29 0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.46 3grx h ASP 78 CO 0.06 -0.09 -0.28 1.55 -1.61 0.00 0.00 179.24 178.87 3grx h PRO 79 N 0.01 0.00 0.00 0.28 0.13 -1.82 -2.68 132.00 127.92 3grx h PRO 79 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3grx h PRO 79 Cb 0.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.34 3grx h PRO 79 CO -0.29 0.28 0.00 1.28 -0.23 0.00 0.00 178.00 179.05 3grx n LEU 80 N -3.48 0.00 0.23 1.56 4.77 -0.64 -3.20 117.00 116.24 3grx n LEU 80 Ca -0.00 0.35 0.15 0.00 -0.03 0.00 0.00 56.01 56.49 3grx n LEU 80 Cb 0.45 -0.35 0.63 0.00 -2.33 0.00 0.00 43.42 41.81 3grx n LEU 80 CO 0.35 -0.01 0.95 0.25 -1.33 0.00 0.00 177.39 177.59 3grx h LEU 81 N 0.00 0.00 0.00 2.23 7.12 -1.10 -3.48 115.31 120.09 3grx h LEU 81 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 3grx h LEU 81 Cb 0.34 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.47 3grx h LEU 81 CO 0.00 0.00 0.00 0.29 -0.13 0.00 0.00 178.44 178.60