#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gqo s PRO 2 N 0.00 1.50 0.02 0.00 0.04 -1.19 -4.77 135.00 130.60 3gqo s PRO 2 Ca 0.00 -0.16 -0.06 0.00 0.04 0.00 0.00 61.00 60.82 3gqo s PRO 2 Cb 0.00 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.58 3gqo s PRO 2 CO 0.00 -1.84 0.10 0.45 0.04 0.00 0.00 177.00 175.75 3gqo s SER 3 N -4.69 0.10 0.02 6.66 0.15 -0.55 -4.97 113.70 110.42 3gqo s SER 3 Ca 0.66 -0.35 0.03 0.00 0.70 0.00 0.00 55.95 56.98 3gqo s SER 3 Cb -0.08 0.20 -0.01 0.00 -1.71 0.00 0.00 66.02 64.41 3gqo s SER 3 CO 0.50 -0.41 -0.08 -0.31 1.20 0.00 0.00 173.24 174.14 3gqo s TYR 4 N -1.80 0.72 0.16 3.44 1.51 -1.26 -0.14 117.35 119.98 3gqo s TYR 4 Ca -0.12 -0.26 -0.11 0.00 -1.01 0.00 0.00 57.07 55.57 3gqo s TYR 4 Cb -0.06 -0.44 -0.00 0.00 -0.11 0.00 0.00 41.96 41.35 3gqo s TYR 4 CO -0.01 -0.02 0.32 -3.38 -1.11 0.00 0.00 175.55 171.35 3gqo s HIS 5 N -0.63 0.27 -0.18 2.71 -3.43 -0.51 -4.96 115.29 108.57 3gqo s HIS 5 Ca -0.01 -0.64 -0.05 0.00 -0.80 0.00 0.00 55.06 53.57 3gqo s HIS 5 Cb -0.06 0.03 -0.03 0.00 -1.43 0.00 0.00 32.58 31.10 3gqo s HIS 5 CO 0.00 -0.74 -0.01 0.08 -2.00 0.00 0.00 174.74 172.07 3gqo s VAL 6 N -3.94 3.98 -0.16 -5.38 1.01 -1.26 -0.64 120.40 114.01 3gqo s VAL 6 Ca 0.14 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.81 3gqo s VAL 6 Cb 0.03 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.63 3gqo s VAL 6 CO -0.02 0.46 -0.16 -0.69 0.00 0.00 0.00 175.10 174.69 3gqo s VAL 7 N 0.69 2.56 -0.44 2.92 1.01 -0.46 -4.94 120.40 121.74 3gqo s VAL 7 Ca -0.01 -0.80 -0.19 0.00 0.00 0.00 0.00 61.98 60.99 3gqo s VAL 7 Cb -0.14 -2.09 0.03 0.00 0.00 0.00 0.00 36.38 34.18 3gqo s VAL 7 CO 0.02 0.51 0.54 -0.60 0.00 0.00 0.00 175.10 175.58 3gqo s ARG 8 N 0.96 3.16 0.00 2.72 3.52 -1.26 -1.03 118.95 127.02 3gqo s ARG 8 Ca -0.03 -0.65 0.00 0.00 -0.13 0.00 0.00 55.73 54.92 3gqo s ARG 8 Cb -0.15 -3.99 0.00 0.00 -1.56 0.00 0.00 34.95 29.26 3gqo s ARG 8 CO -0.03 -0.98 0.00 0.41 -0.81 0.00 0.00 175.30 173.90 3gqo n GLY 9 N 5.10 -1.33 3.60 8.12 0.00 0.18 -4.96 105.19 115.90 3gqo n GLY 9 Ca -0.05 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 3gqo n GLY 9 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gqo s ASP 10 N -4.00 6.67 0.62 1.61 2.15 -1.26 -4.36 116.67 118.10 3gqo s ASP 10 Ca 0.00 0.58 0.34 0.00 0.43 0.00 0.00 52.55 53.90 3gqo s ASP 10 Cb 0.00 -2.45 1.94 0.00 -0.30 0.00 0.00 42.92 42.11 3gqo s ASP 10 CO 0.00 -0.79 2.20 -0.29 -0.17 0.00 0.00 175.17 176.12 3gqo h ILE 11 N 5.76 0.28 0.00 4.11 2.10 -1.96 0.13 117.51 127.94 3gqo h ILE 11 Ca -0.23 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.71 3gqo h ILE 11 Cb 1.08 0.91 -0.00 0.00 -1.09 0.00 0.00 36.82 37.72 3gqo h ILE 11 CO 0.95 0.00 -0.00 0.00 -1.08 0.00 0.00 178.15 178.02 3gqo h ALA 12 N 1.84 1.00 -0.29 0.18 0.00 -1.91 -1.83 119.26 118.25 3gqo h ALA 12 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3gqo h ALA 12 Cb 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3gqo h ALA 12 CO -0.00 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.50 3gqo n THR 13 N -3.09 0.38 -1.67 0.00 -2.24 0.46 -4.98 114.28 103.15 3gqo n THR 13 Ca -0.01 -0.56 -0.43 0.00 -2.27 0.00 0.00 64.05 60.77 3gqo n THR 13 Cb 0.18 0.68 -0.01 0.00 -2.10 0.00 0.00 70.33 69.07 3gqo n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gqo n ALA 14 N 0.95 0.89 1.30 6.98 0.00 -0.69 -4.90 120.51 125.04 3gqo n ALA 14 Ca 0.18 0.37 0.13 0.00 0.00 0.00 0.00 53.44 54.12 3gqo n ALA 14 Cb 0.47 -2.20 0.44 0.00 0.00 0.00 0.00 19.45 18.17 3gqo n ALA 14 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3gqo n THR 15 N 0.45 0.00 -2.03 0.00 -2.24 -1.26 -4.88 114.28 104.32 3gqo n THR 15 Ca 0.06 -0.12 -0.38 0.00 -2.27 0.00 0.00 64.05 61.35 3gqo n THR 15 Cb 0.35 0.28 0.01 0.00 -2.10 0.00 0.00 70.33 68.87 3gqo n THR 15 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3gqo s GLU 16 N -2.47 3.51 0.27 -0.78 8.01 -1.26 -4.93 118.70 121.05 3gqo s GLU 16 Ca 0.26 2.01 0.26 0.00 0.01 0.00 0.00 54.97 57.51 3gqo s GLU 16 Cb 0.20 -2.37 0.83 0.00 -4.31 0.00 0.00 34.13 28.47 3gqo s GLU 16 CO 0.50 -0.83 1.75 0.78 0.01 0.00 0.00 175.26 177.48 3gqo h GLY 17 N 1.85 0.00 -6.67 -1.39 0.00 -1.90 -3.44 103.07 91.52 3gqo h GLY 17 Ca -0.50 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.32 3gqo h GLY 17 CO 0.59 0.00 -0.80 0.14 0.00 0.00 0.00 176.54 176.47 3gqo s VAL 18 N -3.20 0.93 -0.09 4.60 1.01 -1.24 -2.29 120.40 120.12 3gqo s VAL 18 Ca 0.08 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 61.85 3gqo s VAL 18 Cb 0.10 -0.96 0.01 0.00 0.00 0.00 0.00 36.38 35.53 3gqo s VAL 18 CO 0.55 0.35 -0.18 -0.63 0.00 0.00 0.00 175.10 175.20 3gqo s ILE 19 N 1.69 1.58 0.02 2.22 1.01 -0.63 -1.02 121.20 126.07 3gqo s ILE 19 Ca 0.04 -0.73 -0.29 0.00 0.00 0.00 0.00 60.65 59.67 3gqo s ILE 19 Cb -0.13 -1.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.90 3gqo s ILE 19 CO -0.07 0.45 0.94 -0.63 0.00 0.00 0.00 174.94 175.63 3gqo s ILE 20 N 0.59 4.80 -0.06 2.92 1.09 -0.29 -1.28 121.20 128.97 3gqo s ILE 20 Ca -0.15 1.99 -0.14 0.00 -1.10 0.00 0.00 60.65 61.25 3gqo s ILE 20 Cb -0.17 -4.29 -0.05 0.00 -1.06 0.00 0.00 42.46 36.90 3gqo s ILE 20 CO 0.05 0.21 0.35 0.21 -0.10 0.00 0.00 174.94 175.67 3gqo s ASN 21 N 0.72 6.67 -0.99 3.58 2.47 0.15 -4.43 114.94 123.11 3gqo s ASN 21 Ca 0.49 0.80 -0.19 0.00 0.42 0.00 0.00 52.86 54.38 3gqo s ASN 21 Cb -0.21 -2.21 0.11 0.00 -1.45 0.00 0.00 41.25 37.49 3gqo s ASN 21 CO 0.27 0.27 1.25 0.00 -3.72 0.00 0.00 177.10 175.17 3gqo s ALA 22 N -0.67 3.27 0.61 1.71 0.00 -1.26 -1.73 121.76 123.68 3gqo s ALA 22 Ca 0.21 -2.71 -0.00 0.00 0.00 0.00 0.00 51.96 49.46 3gqo s ALA 22 Cb -0.15 -4.19 0.06 0.00 0.00 0.00 0.00 23.12 18.84 3gqo s ALA 22 CO 0.10 -3.12 0.86 0.00 0.00 0.00 0.00 175.76 173.60 3gqo s ALA 23 N 3.17 3.75 0.17 0.00 0.00 0.23 -4.32 121.76 124.75 3gqo s ALA 23 Ca 0.37 -1.35 -0.03 0.00 0.00 0.00 0.00 51.96 50.96 3gqo s ALA 23 Cb -0.03 -2.14 -0.05 0.00 0.00 0.00 0.00 23.12 20.90 3gqo s ALA 23 CO -0.08 -0.98 0.38 1.21 0.00 0.00 0.00 175.76 176.29 3gqo s ASN 24 N -4.51 6.43 0.59 0.00 3.84 -1.26 -4.22 114.94 115.82 3gqo s ASN 24 Ca 0.60 0.49 0.29 0.00 0.21 0.00 0.00 52.86 54.45 3gqo s ASN 24 Cb -0.09 -2.05 1.76 0.00 -0.55 0.00 0.00 41.25 40.32 3gqo s ASN 24 CO 0.41 0.00 2.19 0.77 -2.79 0.00 0.00 177.10 177.68 3gqo h SER 25 N 2.40 0.00 0.45 -4.21 4.64 -1.92 -2.55 113.55 112.36 3gqo h SER 25 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3gqo h SER 25 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3gqo h SER 25 CO 0.70 0.00 -0.39 0.29 -0.87 0.00 0.00 176.83 176.57 3gqo n LYS 26 N -3.82 0.26 -0.69 4.77 5.02 -1.26 -0.39 118.16 122.04 3gqo n LYS 26 Ca -0.01 -0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 3gqo n LYS 26 Cb 0.18 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 3gqo n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gqo n GLY 27 N 1.45 0.78 3.94 0.72 0.00 -0.96 -3.98 105.19 107.14 3gqo n GLY 27 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 3gqo n GLY 27 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gqo s GLN 28 N -0.31 3.48 0.48 1.61 -1.52 -1.26 -4.06 119.66 118.07 3gqo s GLN 28 Ca 0.00 -0.49 -0.23 0.00 -1.95 0.00 0.00 55.36 52.69 3gqo s GLN 28 Cb 0.00 -2.85 -0.07 0.00 -0.22 0.00 0.00 33.01 29.88 3gqo s GLN 28 CO 0.00 0.39 1.26 -1.25 -0.25 0.00 0.00 175.29 175.44 3gqo s PRO 29 N -3.63 3.60 0.00 2.91 0.04 -1.26 -4.61 135.00 132.05 3gqo s PRO 29 Ca 0.37 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.43 3gqo s PRO 29 Cb -0.10 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 32.00 3gqo s PRO 29 CO 0.30 -0.75 0.00 0.41 0.04 0.00 0.00 177.00 177.00 3gqo n GLY 30 N 0.59 2.03 2.98 0.56 0.00 -1.26 -5.00 105.19 105.08 3gqo n GLY 30 Ca 0.07 -0.50 -0.16 0.00 0.00 0.00 0.00 46.02 45.43 3gqo n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqo n GLY 31 N 0.00 1.34 7.00 -0.02 0.00 -1.26 -3.50 105.19 108.75 3gqo n GLY 31 Ca 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.91 3gqo n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqo n GLY 32 N -0.62 0.68 0.22 -0.02 0.00 -1.26 -1.13 105.19 103.04 3gqo n GLY 32 Ca 0.13 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 3gqo n GLY 32 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3gqo h VAL 33 N 0.00 1.30 -0.67 1.61 -1.51 -1.96 -2.71 116.25 112.31 3gqo h VAL 33 Ca 0.00 -1.46 0.13 0.00 -1.23 0.00 0.00 66.70 64.15 3gqo h VAL 33 Cb 0.00 1.57 -0.10 0.00 -2.13 0.00 0.00 31.29 30.63 3gqo h VAL 33 CO 0.00 0.47 0.16 0.00 -1.23 0.00 0.00 177.57 176.96 3gqo h GLY 35 N 0.28 0.77 1.03 0.00 0.00 -1.16 -1.81 103.07 102.17 3gqo h GLY 35 Ca 0.36 -0.60 -0.05 0.00 0.00 0.00 0.00 47.33 47.05 3gqo h GLY 35 CO -0.45 0.55 0.25 0.00 0.00 0.00 0.00 176.54 176.89 3gqo h ALA 36 N 0.86 0.90 0.00 3.60 0.00 -0.98 -1.98 119.26 121.66 3gqo h ALA 36 Ca 0.10 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 3gqo h ALA 36 Cb 0.54 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3gqo h ALA 36 CO 0.03 0.54 -0.50 -0.07 0.00 0.00 0.00 179.25 179.25 3gqo h LEU 37 N 0.99 0.00 0.07 0.00 3.38 -0.56 -2.85 115.31 116.34 3gqo h LEU 37 Ca 0.23 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.91 3gqo h LEU 37 Cb 0.25 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.02 3gqo h LEU 37 CO -0.01 0.50 -1.17 0.22 0.09 0.00 0.00 178.44 178.06 3gqo h TYR 38 N 0.00 1.03 -0.77 1.13 3.20 -1.07 0.31 116.97 120.80 3gqo h TYR 38 Ca -0.00 -0.61 0.12 0.00 3.14 0.00 0.00 58.73 61.38 3gqo h TYR 38 Cb 0.88 -0.10 -0.09 0.00 1.54 0.00 0.00 36.73 38.97 3gqo h TYR 38 CO 0.00 1.45 0.37 0.87 -1.64 0.00 0.00 178.16 179.21 3gqo h LYS 39 N 0.32 0.55 0.03 1.82 1.57 -1.28 -2.66 116.57 116.92 3gqo h LYS 39 Ca -0.17 -0.03 -0.32 0.00 -1.87 0.00 0.00 60.65 58.26 3gqo h LYS 39 Cb 1.84 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 33.98 3gqo h LYS 39 CO 0.23 0.37 -1.88 1.17 -0.57 0.00 0.00 179.45 178.76 3gqo n LYS 40 N -4.90 0.67 -2.67 3.15 4.81 -1.09 -4.60 118.16 113.53 3gqo n LYS 40 Ca 0.14 0.25 -0.17 0.00 -0.87 0.00 0.00 58.31 57.66 3gqo n LYS 40 Cb 0.37 -1.73 0.01 0.00 0.02 0.00 0.00 35.03 33.69 3gqo n LYS 40 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 3gqo n PHE 41 N -3.13 2.01 0.19 5.64 3.72 0.11 -4.92 117.46 121.09 3gqo n PHE 41 Ca -0.23 -3.07 0.17 0.00 -0.05 0.00 0.00 57.45 54.26 3gqo n PHE 41 Cb 1.06 -0.29 0.80 0.00 -0.94 0.00 0.00 39.48 40.11 3gqo n PHE 41 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3gqo h PRO 42 N 2.86 0.00 0.00 -1.08 0.13 -1.64 0.54 132.00 132.81 3gqo h PRO 42 Ca 0.07 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.19 3gqo h PRO 42 Cb 1.03 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 3gqo h PRO 42 CO 0.64 0.00 -0.03 0.93 -0.23 0.00 0.00 178.00 179.31 3gqo h GLU 43 N 0.00 0.00 -0.50 0.86 3.07 -1.91 -2.33 114.58 113.77 3gqo h GLU 43 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 3gqo h GLU 43 Cb 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 3gqo h GLU 43 CO -0.00 0.03 0.00 0.43 -1.40 0.00 0.00 179.01 178.07 3gqo n SER 44 N -3.16 2.16 -4.41 1.42 7.64 0.19 -4.61 113.62 112.85 3gqo n SER 44 Ca -0.00 -2.14 -0.29 0.00 1.01 0.00 0.00 58.87 57.44 3gqo n SER 44 Cb 0.26 -0.34 -0.13 0.00 -1.01 0.00 0.00 64.21 62.99 3gqo n SER 44 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3gqo s PHE 45 N -1.64 2.38 -0.76 1.43 0.08 -0.88 -4.62 117.98 113.98 3gqo s PHE 45 Ca 0.22 -0.35 0.07 0.00 0.12 0.00 0.00 56.93 56.98 3gqo s PHE 45 Cb 0.13 -1.32 0.03 0.00 -0.57 0.00 0.00 43.02 41.30 3gqo s PHE 45 CO 0.12 0.30 0.64 -0.40 -0.10 0.00 0.00 175.22 175.77 3gqo n ASP 46 N 1.13 1.34 -1.52 1.36 5.68 -1.26 -5.01 116.55 118.28 3gqo n ASP 46 Ca -0.17 -1.17 -0.16 0.00 -0.50 0.00 0.00 54.79 52.79 3gqo n ASP 46 Cb 0.53 0.18 -0.07 0.00 -1.14 0.00 0.00 41.12 40.62 3gqo n ASP 46 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3gqo n LEU 47 N 0.11 -1.18 -4.91 -2.12 4.77 -1.26 -4.97 117.00 107.44 3gqo n LEU 47 Ca 0.03 0.38 -0.29 0.00 -0.03 0.00 0.00 56.01 56.10 3gqo n LEU 47 Cb 0.16 -2.32 -0.04 0.00 -2.33 0.00 0.00 43.42 38.89 3gqo n LEU 47 CO 0.06 -0.80 -0.15 -1.10 -1.33 0.00 0.00 177.39 174.07 3gqo s GLN 48 N -3.44 3.37 0.65 3.23 -1.52 -1.26 -4.72 119.66 115.96 3gqo s GLN 48 Ca 0.00 -0.53 -0.16 0.00 -1.95 0.00 0.00 55.36 52.72 3gqo s GLN 48 Cb 0.00 -2.98 -0.01 0.00 -0.22 0.00 0.00 33.01 29.81 3gqo s GLN 48 CO 0.00 0.57 1.15 -1.25 -0.25 0.00 0.00 175.29 175.51 3gqo s PRO 49 N -2.74 2.77 -0.02 2.91 0.04 -1.26 -4.21 135.00 132.49 3gqo s PRO 49 Ca 0.34 1.57 0.03 0.00 0.04 0.00 0.00 61.00 62.98 3gqo s PRO 49 Cb -0.12 -1.93 -0.00 0.00 0.04 0.00 0.00 34.50 32.48 3gqo s PRO 49 CO 0.27 -1.31 -0.11 0.42 0.04 0.00 0.00 177.00 176.32 3gqo s ILE 50 N -2.07 0.88 0.47 0.56 1.01 0.48 -4.91 121.20 117.62 3gqo s ILE 50 Ca 0.71 -0.45 -0.22 0.00 0.00 0.00 0.00 60.65 60.69 3gqo s ILE 50 Cb -0.24 -0.75 -0.08 0.00 0.01 0.00 0.00 42.46 41.40 3gqo s ILE 50 CO 0.39 0.26 1.09 -1.61 0.00 0.00 0.00 174.94 175.07 3gqo s GLU 51 N -0.10 3.77 0.27 2.79 2.02 -1.26 -4.25 118.70 121.95 3gqo s GLU 51 Ca 0.01 1.56 -0.30 0.00 0.02 0.00 0.00 54.97 56.26 3gqo s GLU 51 Cb -0.06 -2.25 -0.11 0.00 0.10 0.00 0.00 34.13 31.81 3gqo s GLU 51 CO -0.00 -0.49 1.52 0.08 0.02 0.00 0.00 175.26 176.39 3gqo s VAL 52 N -1.75 2.36 0.00 2.63 1.01 -1.26 -1.72 120.40 121.67 3gqo s VAL 52 Ca 0.65 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.93 3gqo s VAL 52 Cb -0.22 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 32.97 3gqo s VAL 52 CO 0.27 0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.03 3gqo n GLY 53 N 2.22 0.69 3.56 4.51 0.00 0.40 -4.97 105.19 111.59 3gqo n GLY 53 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 3gqo n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gqo s LYS 54 N -0.33 1.84 0.03 1.61 3.01 -0.70 -2.55 119.74 122.64 3gqo s LYS 54 Ca 0.00 -2.00 -0.03 0.00 -1.01 0.00 0.00 55.97 52.92 3gqo s LYS 54 Cb 0.00 -1.49 -0.02 0.00 -1.01 0.00 0.00 37.83 35.31 3gqo s LYS 54 CO 0.00 -0.01 0.04 0.00 0.51 0.00 0.00 175.35 175.89 3gqo s ALA 55 N -2.80 0.03 -0.00 5.17 0.00 -1.26 -0.57 121.76 122.34 3gqo s ALA 55 Ca 0.34 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.72 3gqo s ALA 55 Cb 0.07 0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.39 3gqo s ALA 55 CO 0.17 -0.25 0.00 0.50 0.00 0.00 0.00 175.76 176.18 3gqo s ARG 56 N -2.16 0.03 -0.06 0.00 3.52 0.20 -4.93 118.95 115.55 3gqo s ARG 56 Ca -0.09 0.02 -0.26 0.00 -0.13 0.00 0.00 55.73 55.28 3gqo s ARG 56 Cb -0.04 -0.08 -0.03 0.00 -1.56 0.00 0.00 34.95 33.23 3gqo s ARG 56 CO -0.03 -0.03 0.81 -1.17 -0.81 0.00 0.00 175.30 174.07 3gqo s LEU 57 N 0.21 4.31 -0.20 -0.88 2.96 -1.26 -0.39 118.68 123.44 3gqo s LEU 57 Ca -0.02 1.33 0.01 0.00 -0.22 0.00 0.00 54.13 55.23 3gqo s LEU 57 Cb -0.03 -3.26 0.04 0.00 0.50 0.00 0.00 46.19 43.45 3gqo s LEU 57 CO -0.01 -0.20 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.03 3gqo s VAL 58 N 1.05 1.64 -0.39 1.68 1.01 -0.22 -4.99 120.40 120.18 3gqo s VAL 58 Ca 0.42 -1.00 -0.27 0.00 0.00 0.00 0.00 61.98 61.13 3gqo s VAL 58 Cb -0.19 -1.71 0.02 0.00 0.00 0.00 0.00 36.38 34.50 3gqo s VAL 58 CO 0.20 0.17 0.97 -0.54 0.00 0.00 0.00 175.10 175.91 3gqo s LYS 59 N 1.40 3.81 0.29 2.72 1.02 -1.26 -1.11 119.74 126.62 3gqo s LYS 59 Ca -0.01 0.58 0.07 0.00 0.02 0.00 0.00 55.97 56.63 3gqo s LYS 59 Cb -0.16 -3.82 -0.03 0.00 -0.52 0.00 0.00 37.83 33.30 3gqo s LYS 59 CO -0.08 -1.03 0.30 0.20 -0.92 0.00 0.00 175.35 173.82 3gqo s GLY 60 N 1.98 1.54 0.23 -3.33 0.00 -0.03 -4.89 107.32 102.81 3gqo s GLY 60 Ca 0.40 -1.48 -0.06 0.00 0.00 0.00 0.00 44.72 43.58 3gqo s GLY 60 CO 0.21 -1.46 1.73 0.00 0.00 0.00 0.00 173.10 173.58 3gqo h ALA 61 N 1.25 1.01 0.05 3.20 0.00 -1.97 -3.22 119.26 119.58 3gqo h ALA 61 Ca -0.47 -0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.00 3gqo h ALA 61 Cb 1.25 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3gqo h ALA 61 CO 0.58 0.63 -0.93 0.00 0.00 0.00 0.00 179.25 179.53 3gqo h ALA 62 N 1.16 0.14 -3.49 0.00 0.00 -1.99 -3.48 119.26 111.60 3gqo h ALA 62 Ca 0.19 -0.94 -0.23 0.00 0.00 0.00 0.00 54.91 53.93 3gqo h ALA 62 Cb 0.42 0.41 -0.25 0.00 0.00 0.00 0.00 17.79 18.37 3gqo h ALA 62 CO 0.01 0.53 -0.72 0.21 0.00 0.00 0.00 179.25 179.28 3gqo s LYS 63 N -2.36 0.19 -0.20 0.00 2.47 -1.22 -5.03 119.74 113.59 3gqo s LYS 63 Ca -0.22 -0.27 -0.13 0.00 -1.56 0.00 0.00 55.97 53.80 3gqo s LYS 63 Cb 0.03 -0.05 -0.05 0.00 -1.46 0.00 0.00 37.83 36.30 3gqo s LYS 63 CO 0.69 0.01 0.25 -1.01 0.16 0.00 0.00 175.35 175.45 3gqo s HIS 64 N -0.56 3.39 -0.08 4.03 3.76 -0.97 -0.85 115.29 124.02 3gqo s HIS 64 Ca -0.05 0.45 0.03 0.00 -0.15 0.00 0.00 55.06 55.34 3gqo s HIS 64 Cb -0.04 -2.33 0.00 0.00 1.11 0.00 0.00 32.58 31.33 3gqo s HIS 64 CO -0.00 0.14 -0.19 0.42 -0.85 0.00 0.00 174.74 174.26 3gqo s ILE 65 N 0.81 1.62 -0.38 0.60 1.01 -0.26 -1.61 121.20 122.98 3gqo s ILE 65 Ca 0.13 -0.77 -0.17 0.00 0.00 0.00 0.00 60.65 59.84 3gqo s ILE 65 Cb -0.13 -1.42 0.01 0.00 0.01 0.00 0.00 42.46 40.93 3gqo s ILE 65 CO 0.04 0.46 0.45 -0.63 0.00 0.00 0.00 174.94 175.26 3gqo s ILE 66 N 0.43 5.08 -0.42 2.92 1.01 -0.40 -1.06 121.20 128.75 3gqo s ILE 66 Ca -0.15 -0.04 -0.22 0.00 0.00 0.00 0.00 60.65 60.23 3gqo s ILE 66 Cb -0.16 -3.97 0.02 0.00 0.01 0.00 0.00 42.46 38.36 3gqo s ILE 66 CO 0.06 -0.29 0.74 -1.00 0.00 0.00 0.00 174.94 174.45 3gqo s HIS 67 N 2.21 3.05 -0.06 3.97 3.76 0.48 0.31 115.29 129.01 3gqo s HIS 67 Ca 0.14 0.24 0.05 0.00 -0.15 0.00 0.00 55.06 55.35 3gqo s HIS 67 Cb -0.16 -3.48 -0.02 0.00 1.11 0.00 0.00 32.58 30.03 3gqo s HIS 67 CO 0.13 -0.86 -0.22 0.00 -0.85 0.00 0.00 174.74 172.95 3gqo s ALA 68 N 3.09 2.32 -0.33 -1.40 0.00 -0.71 0.60 121.76 125.33 3gqo s ALA 68 Ca 0.28 -1.03 -0.08 0.00 0.00 0.00 0.00 51.96 51.13 3gqo s ALA 68 Cb -0.13 -0.77 0.02 0.00 0.00 0.00 0.00 23.12 22.25 3gqo s ALA 68 CO 0.20 0.45 0.12 0.08 0.00 0.00 0.00 175.76 176.61 3gqo s VAL 69 N -0.33 4.07 0.60 0.00 1.01 0.27 -0.60 120.40 125.41 3gqo s VAL 69 Ca 0.02 -0.87 -0.07 0.00 0.00 0.00 0.00 61.98 61.06 3gqo s VAL 69 Cb -0.13 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.05 3gqo s VAL 69 CO 0.02 -0.08 0.92 -0.83 0.00 0.00 0.00 175.10 175.13 3gqo s GLY 70 N 1.48 1.60 0.46 4.51 0.00 -1.26 -0.46 107.32 113.66 3gqo s GLY 70 Ca 0.01 -0.61 -0.25 0.00 0.00 0.00 0.00 44.72 43.87 3gqo s GLY 70 CO 0.04 -0.33 1.44 2.56 0.00 0.00 0.00 173.10 176.80 3gqo s PRO 71 N -5.02 3.63 -0.45 2.90 0.04 -1.26 -4.75 135.00 130.09 3gqo s PRO 71 Ca 0.54 2.44 -0.16 0.00 0.04 0.00 0.00 61.00 63.85 3gqo s PRO 71 Cb -0.11 -2.63 0.05 0.00 0.04 0.00 0.00 34.50 31.85 3gqo s PRO 71 CO 0.46 -0.87 0.40 1.21 0.04 0.00 0.00 177.00 178.24 3gqo s ASN 72 N -0.50 6.15 0.00 6.66 2.47 -1.26 -4.70 114.94 123.76 3gqo s ASN 72 Ca 0.62 -1.04 0.20 0.00 0.42 0.00 0.00 52.86 53.06 3gqo s ASN 72 Cb -0.44 -2.20 1.00 0.00 -1.45 0.00 0.00 41.25 38.16 3gqo s ASN 72 CO 0.57 -0.61 1.64 0.49 -3.72 0.00 0.00 177.10 175.47 3gqo n PHE 73 N 5.37 0.00 0.23 0.43 3.01 0.81 -0.49 117.46 126.82 3gqo n PHE 73 Ca -0.10 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.49 3gqo n PHE 73 Cb 0.45 -0.32 0.36 0.00 -0.01 0.00 0.00 39.48 39.96 3gqo n PHE 73 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 3gqo h ASN 74 N 0.00 0.00 0.00 4.37 4.21 -1.87 -3.39 115.58 118.90 3gqo h ASN 74 Ca 0.00 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 57.37 3gqo h ASN 74 Cb 0.21 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.39 3gqo h ASN 74 CO 0.00 0.05 -1.54 0.29 -1.29 0.00 0.00 177.43 174.94 3gqo n LYS 75 N -3.13 0.60 -3.83 0.81 5.02 -0.31 -5.05 118.16 112.28 3gqo n LYS 75 Ca 0.02 0.05 -0.21 0.00 -2.02 0.00 0.00 58.31 56.15 3gqo n LYS 75 Cb 0.46 -1.19 -0.02 0.00 -0.02 0.00 0.00 35.03 34.26 3gqo n LYS 75 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3gqo s VAL 76 N -2.19 5.06 0.65 -0.18 -7.23 0.36 -5.08 120.40 111.79 3gqo s VAL 76 Ca -0.12 -0.94 -0.11 0.00 -1.81 0.00 0.00 61.98 59.00 3gqo s VAL 76 Cb 0.03 -3.79 -0.02 0.00 0.56 0.00 0.00 36.38 33.16 3gqo s VAL 76 CO 0.23 -0.32 1.05 -0.94 -0.31 0.00 0.00 175.10 174.81 3gqo s SER 77 N -4.02 5.94 0.21 4.85 1.04 -1.26 -4.64 113.70 115.82 3gqo s SER 77 Ca 0.36 1.36 -0.11 0.00 0.48 0.00 0.00 55.95 58.04 3gqo s SER 77 Cb -0.09 -2.32 0.27 0.00 0.10 0.00 0.00 66.02 63.98 3gqo s SER 77 CO 0.30 -1.05 1.70 -0.33 0.98 0.00 0.00 173.24 174.84 3gqo h GLU 78 N -0.44 0.22 0.63 4.02 4.39 -1.98 0.15 114.58 121.57 3gqo h GLU 78 Ca -0.44 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.21 3gqo h GLU 78 Cb 1.21 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.81 3gqo h GLU 78 CO 0.62 0.15 -0.30 0.28 -1.16 0.00 0.00 179.01 178.60 3gqo h VAL 79 N 0.23 0.17 -0.73 3.13 2.07 -2.00 -2.14 116.25 116.99 3gqo h VAL 79 Ca 0.30 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 3gqo h VAL 79 Cb 0.45 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 3gqo h VAL 79 CO -0.41 0.02 0.41 -0.08 0.02 0.00 0.00 177.57 177.54 3gqo h GLU 80 N -1.13 1.00 -0.27 1.57 4.57 -1.93 -2.21 114.58 116.18 3gqo h GLU 80 Ca -0.09 -0.10 -0.09 0.00 -1.18 0.00 0.00 59.36 57.90 3gqo h GLU 80 Cb 0.69 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 3gqo h GLU 80 CO 0.14 0.72 -0.22 0.78 -1.18 0.00 0.00 179.01 179.25 3gqo h GLY 81 N 1.05 0.54 1.66 1.92 0.00 -0.71 -1.28 103.07 106.24 3gqo h GLY 81 Ca 0.26 -0.42 -0.11 0.00 0.00 0.00 0.00 47.33 47.05 3gqo h GLY 81 CO -0.04 0.39 -0.38 -1.80 0.00 0.00 0.00 176.54 174.71 3gqo h ASP 82 N 0.44 0.40 -0.35 0.19 3.58 -0.76 0.80 116.42 120.72 3gqo h ASP 82 Ca 0.07 -0.16 -0.17 0.00 0.42 0.00 0.00 57.03 57.19 3gqo h ASP 82 Cb 0.63 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.57 3gqo h ASP 82 CO 0.05 0.74 -0.44 0.50 -2.88 0.00 0.00 179.24 177.21 3gqo h LYS 83 N 0.32 0.91 0.00 0.28 3.64 -1.19 -2.70 116.57 117.83 3gqo h LYS 83 Ca 0.03 -0.52 -0.10 0.00 -1.27 0.00 0.00 60.65 58.80 3gqo h LYS 83 Cb 0.81 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 3gqo h LYS 83 CO 0.07 1.17 -0.46 1.96 -2.27 0.00 0.00 179.45 179.91 3gqo h GLN 84 N 0.72 0.00 -0.15 1.90 4.20 -0.83 -2.18 115.11 118.77 3gqo h GLN 84 Ca 0.04 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 3gqo h GLN 84 Cb 1.05 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.82 3gqo h GLN 84 CO 0.11 0.46 -0.06 1.25 -0.67 0.00 0.00 178.83 179.91 3gqo h LEU 85 N 0.00 0.32 -0.08 1.46 5.85 -0.77 -0.50 115.31 121.58 3gqo h LEU 85 Ca -0.00 -0.40 0.04 0.00 0.84 0.00 0.00 57.88 58.35 3gqo h LEU 85 Cb 0.83 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.71 3gqo h LEU 85 CO 0.06 0.65 -0.43 0.00 -0.34 0.00 0.00 178.44 178.38 3gqo h ALA 86 N 0.68 -0.64 -0.68 1.25 0.00 -1.38 -2.32 119.26 116.16 3gqo h ALA 86 Ca 0.04 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.05 3gqo h ALA 86 Cb 0.52 0.78 -0.09 0.00 0.00 0.00 0.00 17.79 19.01 3gqo h ALA 86 CO 0.02 -0.95 0.23 0.93 0.00 0.00 0.00 179.25 179.48 3gqo h GLU 87 N -0.53 0.36 -0.55 0.00 5.08 -1.36 0.93 114.58 118.51 3gqo h GLU 87 Ca 0.06 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.43 3gqo h GLU 87 Cb 0.64 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 3gqo h GLU 87 CO -0.37 0.24 0.32 0.00 -1.00 0.00 0.00 179.01 178.20 3gqo h ALA 88 N 1.51 0.71 -0.10 3.43 0.00 -0.68 0.17 119.26 124.29 3gqo h ALA 88 Ca 0.37 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 55.09 3gqo h ALA 88 Cb 0.54 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3gqo h ALA 88 CO -0.39 0.02 -0.70 1.88 0.00 0.00 0.00 179.25 180.06 3gqo h TYR 89 N 0.62 0.59 -0.62 0.00 0.05 -0.86 -2.30 116.97 114.45 3gqo h TYR 89 Ca 0.23 -0.25 -0.02 0.00 0.05 0.00 0.00 58.73 58.74 3gqo h TYR 89 Cb 0.06 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 37.67 3gqo h TYR 89 CO -0.07 1.00 0.31 0.93 -1.05 0.00 0.00 178.16 179.28 3gqo h GLU 90 N 0.31 0.87 -0.39 4.88 5.08 -0.43 -1.35 114.58 123.54 3gqo h GLU 90 Ca -0.02 -0.11 -0.10 0.00 -1.00 0.00 0.00 59.36 58.13 3gqo h GLU 90 Cb 1.27 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 3gqo h GLU 90 CO 0.12 0.67 -0.16 0.77 -1.00 0.00 0.00 179.01 179.41 3gqo h SER 91 N 0.87 0.73 -0.23 1.42 0.02 -0.36 -1.76 113.55 114.25 3gqo h SER 91 Ca 0.22 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 3gqo h SER 91 Cb 0.07 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 3gqo h SER 91 CO -0.03 0.90 0.03 0.40 -1.14 0.00 0.00 176.83 176.99 3gqo h ILE 92 N 0.65 1.24 -0.59 3.27 2.04 -0.96 -2.73 117.51 120.42 3gqo h ILE 92 Ca 0.10 -0.80 0.01 0.00 1.00 0.00 0.00 64.86 65.17 3gqo h ILE 92 Cb 0.64 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 38.00 3gqo h ILE 92 CO 0.05 0.25 0.39 0.00 0.00 0.00 0.00 178.15 178.83 3gqo h ALA 93 N 0.83 0.76 -0.41 1.87 0.00 -1.03 0.30 119.26 121.58 3gqo h ALA 93 Ca 0.07 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.00 3gqo h ALA 93 Cb 0.35 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3gqo h ALA 93 CO 0.01 0.17 0.13 -0.22 0.00 0.00 0.00 179.25 179.33 3gqo h LYS 94 N 0.78 0.28 -0.66 0.00 3.11 -1.30 0.06 116.57 118.85 3gqo h LYS 94 Ca 0.22 -0.02 -0.04 0.00 -2.81 0.00 0.00 60.65 58.00 3gqo h LYS 94 Cb -0.07 -0.06 -0.03 0.00 -1.00 0.00 0.00 32.23 31.07 3gqo h LYS 94 CO -0.06 0.18 0.25 0.82 -2.81 0.00 0.00 179.45 177.83 3gqo h ILE 95 N 0.29 1.24 -0.89 2.00 2.04 -1.06 0.61 117.51 121.73 3gqo h ILE 95 Ca 0.19 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.27 3gqo h ILE 95 Cb 0.19 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 3gqo h ILE 95 CO -0.21 0.31 0.57 0.58 0.00 0.00 0.00 178.15 179.40 3gqo h VAL 96 N 0.93 1.24 0.07 1.67 2.07 -0.40 -2.18 116.25 119.65 3gqo h VAL 96 Ca 0.22 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 3gqo h VAL 96 Cb 0.23 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 3gqo h VAL 96 CO -0.01 0.24 -0.03 0.78 0.02 0.00 0.00 177.57 178.56 3gqo h ASN 97 N 1.22 -0.08 -0.14 0.57 2.35 -0.59 -1.44 115.58 117.47 3gqo h ASN 97 Ca 0.33 -0.39 0.04 0.00 -0.55 0.00 0.00 56.30 55.73 3gqo h ASN 97 Cb -0.11 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 3gqo h ASN 97 CO -0.07 0.36 0.11 0.44 -1.65 0.00 0.00 177.43 176.63 3gqo h ASP 98 N -0.54 0.00 -0.32 5.81 5.19 -0.80 -1.47 116.42 124.29 3gqo h ASP 98 Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 3gqo h ASP 98 Cb 0.46 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.97 3gqo h ASP 98 CO 0.02 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 176.73 3gqo n ASN 99 N -4.33 2.89 -4.16 6.45 3.02 -0.83 -4.99 115.26 113.30 3gqo n ASN 99 Ca 0.00 -1.89 -0.35 0.00 -0.03 0.00 0.00 54.58 52.31 3gqo n ASN 99 Cb 0.24 -0.21 -0.02 0.00 -0.61 0.00 0.00 39.78 39.18 3gqo n ASN 99 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3gqo n ASN 100 N 0.76 -3.53 -4.73 6.41 4.13 -0.55 -4.91 115.26 112.83 3gqo n ASN 100 Ca 0.13 -0.97 -0.42 0.00 1.68 0.00 0.00 54.58 55.00 3gqo n ASN 100 Cb 0.44 -2.98 -0.03 0.00 -1.54 0.00 0.00 39.78 35.67 3gqo n ASN 100 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 3gqo s TYR 101 N -3.30 3.39 -1.10 3.10 2.02 -0.85 -4.93 117.35 115.68 3gqo s TYR 101 Ca 0.71 1.32 0.19 0.00 -0.37 0.00 0.00 57.07 58.92 3gqo s TYR 101 Cb -0.38 -3.47 -0.15 0.00 -0.40 0.00 0.00 41.96 37.55 3gqo s TYR 101 CO 0.91 -1.42 0.83 1.63 -1.57 0.00 0.00 175.55 175.93 3gqo n LYS 102 N 3.06 1.04 -3.62 -0.62 5.02 -1.26 -4.50 118.16 117.28 3gqo n LYS 102 Ca 0.07 -0.23 -0.19 0.00 -2.02 0.00 0.00 58.31 55.94 3gqo n LYS 102 Cb 0.45 -1.37 -0.15 0.00 -0.02 0.00 0.00 35.03 33.93 3gqo n LYS 102 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3gqo s SER 103 N -2.61 1.18 0.01 4.39 0.15 -1.26 -1.00 113.70 114.55 3gqo s SER 103 Ca 0.09 0.04 0.03 0.00 0.70 0.00 0.00 55.95 56.81 3gqo s SER 103 Cb 0.14 0.18 -0.01 0.00 -1.71 0.00 0.00 66.02 64.62 3gqo s SER 103 CO 0.69 -0.28 -0.09 -0.69 1.20 0.00 0.00 173.24 174.07 3gqo s VAL 104 N 2.26 0.72 -0.12 4.45 1.01 -0.45 -3.66 120.40 124.61 3gqo s VAL 104 Ca 0.04 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.48 3gqo s VAL 104 Cb -0.13 -0.63 -0.01 0.00 0.00 0.00 0.00 36.38 35.60 3gqo s VAL 104 CO -0.07 0.09 -0.15 0.00 0.00 0.00 0.00 175.10 174.96 3gqo s ALA 105 N -0.45 2.54 -0.01 5.51 0.00 -0.19 -0.01 121.76 129.15 3gqo s ALA 105 Ca 0.01 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.06 3gqo s ALA 105 Cb -0.05 -1.12 0.02 0.00 0.00 0.00 0.00 23.12 21.97 3gqo s ALA 105 CO 0.00 0.28 0.02 -1.50 0.00 0.00 0.00 175.76 174.55 3gqo s ILE 106 N 0.28 -0.03 0.62 0.00 2.07 0.20 -1.13 121.20 123.21 3gqo s ILE 106 Ca -0.11 0.14 -0.05 0.00 -1.41 0.00 0.00 60.65 59.21 3gqo s ILE 106 Cb -0.16 -0.07 0.03 0.00 0.13 0.00 0.00 42.46 42.39 3gqo s ILE 106 CO 0.06 0.06 0.92 -2.16 -1.91 0.00 0.00 174.94 171.92 3gqo s PRO 107 N 0.70 2.65 -0.70 3.50 0.04 -1.26 -1.01 135.00 138.92 3gqo s PRO 107 Ca -0.06 -0.16 -0.23 0.00 0.04 0.00 0.00 61.00 60.59 3gqo s PRO 107 Cb -0.09 -2.26 0.07 0.00 0.04 0.00 0.00 34.50 32.26 3gqo s PRO 107 CO -0.02 -0.88 1.04 -0.51 0.04 0.00 0.00 177.00 176.68 3gqo s LEU 108 N -5.05 4.17 0.25 -3.56 1.43 -1.26 -4.90 118.68 109.76 3gqo s LEU 108 Ca 0.56 -0.95 -0.29 0.00 -1.03 0.00 0.00 54.13 52.42 3gqo s LEU 108 Cb -0.11 -2.45 -0.15 0.00 0.03 0.00 0.00 46.19 43.52 3gqo s LEU 108 CO 0.44 -1.50 0.90 0.18 0.23 0.00 0.00 176.35 176.60 3gqo n LEU 109 N 8.00 0.97 -1.38 1.79 4.77 -1.26 -3.08 117.00 126.81 3gqo n LEU 109 Ca -0.00 1.16 -0.15 0.00 -0.03 0.00 0.00 56.01 56.99 3gqo n LEU 109 Cb 0.46 -1.19 -0.04 0.00 -2.33 0.00 0.00 43.42 40.32 3gqo n LEU 109 CO 0.65 -1.80 -0.16 -1.20 -1.33 0.00 0.00 177.39 173.55 3gqo n SER 110 N 1.51 -4.71 -0.34 -1.43 7.64 -1.26 -4.78 113.62 110.26 3gqo n SER 110 Ca 0.12 0.22 0.05 0.00 1.01 0.00 0.00 58.87 60.27 3gqo n SER 110 Cb 0.29 -3.66 0.03 0.00 -1.01 0.00 0.00 64.21 59.86 3gqo n SER 110 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3gqo n THR 111 N -3.14 0.00 0.00 0.44 -2.24 -1.18 -3.32 114.28 104.84 3gqo n THR 111 Ca -0.16 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 3gqo n THR 111 Cb 0.55 1.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.96 3gqo n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gqo n GLY 112 N 0.69 1.08 0.26 3.38 0.00 -1.26 -4.71 105.19 104.63 3gqo n GLY 112 Ca 0.05 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.16 3gqo n GLY 112 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3gqo h ILE 113 N 0.00 0.94 -0.18 -0.61 2.04 -1.99 -2.46 117.51 115.25 3gqo h ILE 113 Ca 0.00 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3gqo h ILE 113 Cb 0.00 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 3gqo h ILE 113 CO 0.00 0.01 0.00 0.49 0.00 0.00 0.00 178.15 178.65 3gqo n PHE 114 N -4.43 0.22 0.89 1.37 3.01 -1.26 -4.43 117.46 112.84 3gqo n PHE 114 Ca -0.03 -0.11 0.14 0.00 1.01 0.00 0.00 57.45 58.46 3gqo n PHE 114 Cb 0.10 0.00 0.53 0.00 -0.01 0.00 0.00 39.48 40.10 3gqo n PHE 114 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3gqo n SER 115 N 0.65 0.26 -1.40 4.37 3.41 -0.93 -0.14 113.62 119.85 3gqo n SER 115 Ca 0.17 0.46 -0.17 0.00 -0.26 0.00 0.00 58.87 59.07 3gqo n SER 115 Cb 0.42 -0.51 -0.06 0.00 -0.26 0.00 0.00 64.21 63.79 3gqo n SER 115 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gqo n GLY 116 N 1.45 1.43 1.76 5.00 0.00 -1.26 -2.52 105.19 111.05 3gqo n GLY 116 Ca 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3gqo n GLY 116 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gqo n ASN 117 N -0.84 -2.64 -4.90 1.61 4.13 -1.26 -4.88 115.26 106.48 3gqo n ASN 117 Ca -0.18 0.00 -0.21 0.00 1.68 0.00 0.00 54.58 55.88 3gqo n ASN 117 Cb 0.58 -0.44 -0.03 0.00 -1.54 0.00 0.00 39.78 38.35 3gqo n ASN 117 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3gqo s LYS 118 N -0.47 2.96 -0.33 3.52 -0.14 -1.05 -5.06 119.74 119.17 3gqo s LYS 118 Ca 0.00 -1.10 -0.29 0.00 -1.36 0.00 0.00 55.97 53.22 3gqo s LYS 118 Cb 0.00 -2.63 0.01 0.00 -1.68 0.00 0.00 37.83 33.53 3gqo s LYS 118 CO 0.00 0.20 1.23 0.34 -0.76 0.00 0.00 175.35 176.35 3gqo s ASP 119 N -4.00 6.72 -0.14 2.83 -1.08 -1.26 -4.90 116.67 114.83 3gqo s ASP 119 Ca 0.39 1.06 0.17 0.00 -0.52 0.00 0.00 52.55 53.65 3gqo s ASP 119 Cb -0.08 -2.54 0.31 0.00 -1.46 0.00 0.00 42.92 39.15 3gqo s ASP 119 CO 0.28 -1.07 1.16 0.54 0.52 0.00 0.00 175.17 176.60 3gqo n ARG 120 N 7.30 1.31 0.29 4.34 1.74 -1.26 -4.85 116.66 125.52 3gqo n ARG 120 Ca 0.14 -2.69 -0.17 0.00 -0.77 0.00 0.00 57.85 54.35 3gqo n ARG 120 Cb 0.47 -1.49 -0.08 0.00 -1.02 0.00 0.00 32.46 30.33 3gqo n ARG 120 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3gqo h LEU 121 N 0.22 -0.99 -0.28 0.55 6.46 -1.94 0.62 115.31 119.95 3gqo h LEU 121 Ca -0.00 0.07 0.02 0.00 -0.12 0.00 0.00 57.88 57.85 3gqo h LEU 121 Cb 1.01 0.31 -0.02 0.00 -0.73 0.00 0.00 40.66 41.24 3gqo h LEU 121 CO 0.00 -0.55 0.15 0.74 -0.62 0.00 0.00 178.44 178.16 3gqo h THR 122 N -0.85 1.01 -0.15 1.05 2.02 -1.98 -0.18 112.91 113.82 3gqo h THR 122 Ca -0.05 -0.11 0.01 0.00 0.77 0.00 0.00 66.41 67.03 3gqo h THR 122 Cb 0.73 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 3gqo h THR 122 CO 0.00 0.06 0.08 -0.61 0.37 0.00 0.00 175.52 175.42 3gqo h GLN 123 N 0.31 0.17 -0.09 6.66 4.15 -1.85 -0.38 115.11 124.09 3gqo h GLN 123 Ca 0.11 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 3gqo h GLN 123 Cb 0.02 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.67 3gqo h GLN 123 CO -0.07 0.11 -0.02 1.03 -1.93 0.00 0.00 178.83 177.95 3gqo h SER 124 N 0.17 0.17 -0.96 -0.69 0.87 -0.78 -3.17 113.55 109.16 3gqo h SER 124 Ca 0.06 -0.38 0.01 0.00 -1.23 0.00 0.00 61.79 60.25 3gqo h SER 124 Cb 0.00 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 61.87 3gqo h SER 124 CO -0.04 0.51 0.64 0.25 -0.53 0.00 0.00 176.83 177.66 3gqo h LEU 125 N -0.17 1.10 -1.65 2.23 5.85 -0.99 -0.81 115.31 120.86 3gqo h LEU 125 Ca 0.02 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.73 3gqo h LEU 125 Cb 0.44 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 3gqo h LEU 125 CO 0.01 0.79 0.25 0.78 -0.34 0.00 0.00 178.44 179.93 3gqo h ASN 126 N 1.30 0.40 0.27 1.25 2.35 -1.08 -0.31 115.58 119.76 3gqo h ASN 126 Ca 0.35 -0.01 -0.30 0.00 -0.55 0.00 0.00 56.30 55.80 3gqo h ASN 126 Cb -0.15 -0.10 0.03 0.00 0.05 0.00 0.00 38.32 38.15 3gqo h ASN 126 CO -0.08 0.29 -1.28 0.45 -1.65 0.00 0.00 177.43 175.16 3gqo h HIS 127 N 0.47 0.88 -0.19 1.19 3.86 -1.36 -2.05 115.15 117.94 3gqo h HIS 127 Ca 0.14 -0.58 0.06 0.00 -1.16 0.00 0.00 60.37 58.82 3gqo h HIS 127 Cb 0.00 -0.06 -0.06 0.00 1.06 0.00 0.00 27.41 28.35 3gqo h HIS 127 CO -0.00 1.43 -0.25 1.25 0.86 0.00 0.00 177.93 181.23 3gqo h LEU 128 N 0.21 -0.79 -0.04 2.43 6.46 -0.78 -0.45 115.31 122.35 3gqo h LEU 128 Ca -0.19 0.13 -0.00 0.00 -0.12 0.00 0.00 57.88 57.70 3gqo h LEU 128 Cb 1.96 0.36 -0.00 0.00 -0.73 0.00 0.00 40.66 42.25 3gqo h LEU 128 CO 0.24 -0.29 0.01 -0.07 -0.62 0.00 0.00 178.44 177.71 3gqo h LEU 129 N -0.28 0.05 -1.05 2.25 3.38 -1.09 0.34 115.31 118.91 3gqo h LEU 129 Ca 0.12 -0.17 0.11 0.00 0.09 0.00 0.00 57.88 58.03 3gqo h LEU 129 Cb 0.47 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.12 3gqo h LEU 129 CO -0.36 0.20 0.63 0.74 0.09 0.00 0.00 178.44 179.75 3gqo h THR 130 N -0.10 0.95 0.02 0.22 2.02 -1.19 -0.12 112.91 114.70 3gqo h THR 130 Ca 0.01 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.85 3gqo h THR 130 Cb 0.17 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.44 3gqo h THR 130 CO -0.00 0.18 -0.01 0.00 0.37 0.00 0.00 175.52 176.06 3gqo h ALA 131 N 1.53 -0.02 0.00 6.16 0.00 -0.59 -3.32 119.26 123.02 3gqo h ALA 131 Ca 0.47 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3gqo h ALA 131 Cb 0.43 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3gqo h ALA 131 CO -0.23 -0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.21 3gqo n LEU 132 N -4.71 0.54 0.17 0.00 7.99 0.11 -1.55 117.00 119.55 3gqo n LEU 132 Ca -0.09 0.62 0.13 0.00 -0.01 0.00 0.00 56.01 56.65 3gqo n LEU 132 Cb 0.38 -0.52 0.59 0.00 -0.11 0.00 0.00 43.42 43.75 3gqo n LEU 132 CO 0.31 -0.43 0.88 0.44 -1.51 0.00 0.00 177.39 177.09 3gqo h ASP 133 N 0.00 0.00 0.77 -1.43 5.19 -1.11 -2.09 116.42 117.75 3gqo h ASP 133 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3gqo h ASP 133 Cb 0.40 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.91 3gqo h ASP 133 CO 0.00 0.00 -0.20 0.35 -3.12 0.00 0.00 179.24 176.27 3gqo n THR 134 N -2.38 0.00 -2.99 0.35 -2.24 -0.60 -4.76 114.28 101.66 3gqo n THR 134 Ca 0.00 -0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.60 3gqo n THR 134 Cb 0.16 -0.18 0.03 0.00 -2.10 0.00 0.00 70.33 68.24 3gqo n THR 134 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3gqo s THR 135 N -2.97 2.73 -0.29 4.28 -4.23 -0.79 -5.01 115.64 109.37 3gqo s THR 135 Ca 0.14 -0.98 0.08 0.00 -1.18 0.00 0.00 61.69 59.76 3gqo s THR 135 Cb 0.18 -2.76 0.47 0.00 1.34 0.00 0.00 72.50 71.73 3gqo s THR 135 CO 0.59 0.00 1.36 -0.90 -0.54 0.00 0.00 174.62 175.13 3gqo n ASP 136 N -2.00 2.99 -4.79 3.99 5.68 -1.26 -3.16 116.55 118.00 3gqo n ASP 136 Ca 0.10 -3.83 -0.33 0.00 -0.50 0.00 0.00 54.79 50.23 3gqo n ASP 136 Cb 0.60 -0.56 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 3gqo n ASP 136 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3gqo s ALA 137 N -3.35 2.73 -0.38 2.12 0.00 -1.26 -4.39 121.76 117.22 3gqo s ALA 137 Ca 0.45 0.53 -0.18 0.00 0.00 0.00 0.00 51.96 52.76 3gqo s ALA 137 Cb 0.40 -3.27 0.01 0.00 0.00 0.00 0.00 23.12 20.26 3gqo s ALA 137 CO -0.02 -0.73 0.48 -0.51 0.00 0.00 0.00 175.76 174.98 3gqo s ASP 138 N -2.40 6.26 -0.22 0.00 1.01 -0.17 -1.48 116.67 119.66 3gqo s ASP 138 Ca 0.66 -0.29 -0.06 0.00 0.71 0.00 0.00 52.55 53.58 3gqo s ASP 138 Cb -0.18 -2.25 -0.02 0.00 1.01 0.00 0.00 42.92 41.48 3gqo s ASP 138 CO 0.32 -0.52 0.02 -0.69 0.21 0.00 0.00 175.17 174.50 3gqo s VAL 139 N 2.31 3.98 -0.50 -1.27 1.01 0.80 -1.34 120.40 125.39 3gqo s VAL 139 Ca 0.16 -0.29 -0.18 0.00 0.00 0.00 0.00 61.98 61.67 3gqo s VAL 139 Cb -0.16 -2.82 0.07 0.00 0.00 0.00 0.00 36.38 33.47 3gqo s VAL 139 CO 0.14 0.40 0.54 0.00 0.00 0.00 0.00 175.10 176.18 3gqo s ALA 140 N 1.30 3.47 -0.31 5.51 0.00 0.99 -1.42 121.76 131.30 3gqo s ALA 140 Ca 0.04 -1.97 -0.25 0.00 0.00 0.00 0.00 51.96 49.78 3gqo s ALA 140 Cb -0.15 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.72 3gqo s ALA 140 CO 0.01 -1.94 0.88 0.42 0.00 0.00 0.00 175.76 175.14 3gqo s ILE 141 N 2.21 4.71 -0.07 0.00 1.01 0.19 -0.63 121.20 128.62 3gqo s ILE 141 Ca 0.10 1.38 -0.05 0.00 0.00 0.00 0.00 60.65 62.08 3gqo s ILE 141 Cb -0.22 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 37.98 3gqo s ILE 141 CO 0.09 -0.31 0.17 -0.31 0.00 0.00 0.00 174.94 174.57 3gqo s TYR 142 N 3.17 3.58 0.18 3.97 1.51 -0.18 -1.36 117.35 128.21 3gqo s TYR 142 Ca 0.37 0.46 -0.09 0.00 -1.01 0.00 0.00 57.07 56.80 3gqo s TYR 142 Cb -0.14 -1.90 -0.01 0.00 -0.11 0.00 0.00 41.96 39.81 3gqo s TYR 142 CO 0.13 0.70 0.30 0.00 -1.11 0.00 0.00 175.55 175.56 3gqo n ARG 144 N -0.24 5.46 -3.79 0.00 1.74 -1.26 0.52 116.66 119.09 3gqo n ARG 144 Ca -0.06 -0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.65 3gqo n ARG 144 Cb 0.63 -0.61 -0.06 0.00 -1.02 0.00 0.00 32.46 31.40 3gqo n ARG 144 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3gqo s ASP 145 N -1.22 6.48 -0.00 0.55 3.68 -1.26 -4.82 116.67 120.08 3gqo s ASP 145 Ca 0.00 0.57 -0.22 0.00 2.13 0.00 0.00 52.55 55.03 3gqo s ASP 145 Cb 0.00 -2.10 -0.19 0.00 -1.45 0.00 0.00 42.92 39.18 3gqo s ASP 145 CO 0.00 0.37 1.20 0.11 0.13 0.00 0.00 175.17 176.99 3gqo h LYS 146 N 4.76 0.27 -0.69 4.34 1.57 -2.00 -2.22 116.57 122.60 3gqo h LYS 146 Ca -0.53 -0.20 0.05 0.00 -1.87 0.00 0.00 60.65 58.10 3gqo h LYS 146 Cb 1.22 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.51 3gqo h LYS 146 CO 0.60 0.82 0.41 0.87 -0.57 0.00 0.00 179.45 181.58 3gqo h LYS 147 N -0.23 0.75 -0.66 3.15 6.56 -2.01 -1.66 116.57 122.48 3gqo h LYS 147 Ca -0.01 -0.05 -0.05 0.00 -1.06 0.00 0.00 60.65 59.49 3gqo h LYS 147 Cb 0.84 -0.17 -0.03 0.00 -0.57 0.00 0.00 32.23 32.30 3gqo h LYS 147 CO 0.05 0.50 0.21 -1.49 -2.06 0.00 0.00 179.45 176.65 3gqo h TRP 148 N 0.78 1.05 -0.37 -1.35 4.06 -1.99 -2.79 115.95 115.35 3gqo h TRP 148 Ca 0.30 -0.11 -0.03 0.00 2.06 0.00 0.00 58.89 61.11 3gqo h TRP 148 Cb 0.12 -0.31 -0.02 0.00 -1.00 0.00 0.00 29.16 27.95 3gqo h TRP 148 CO -0.06 0.85 0.11 1.05 -3.56 0.00 0.00 178.44 176.84 3gqo h GLU 149 N 0.95 0.52 0.79 0.49 4.11 -0.66 0.63 114.58 121.41 3gqo h GLU 149 Ca 0.21 -0.07 -0.04 0.00 0.07 0.00 0.00 59.36 59.53 3gqo h GLU 149 Cb 0.29 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3gqo h GLU 149 CO -0.01 0.46 -0.41 0.52 0.07 0.00 0.00 179.01 179.64 3gqo h MET 150 N 0.52 -1.06 -0.79 1.06 2.86 -1.28 0.72 114.93 116.95 3gqo h MET 150 Ca 0.13 0.07 0.13 0.00 -2.06 0.00 0.00 59.70 57.97 3gqo h MET 150 Cb 0.16 0.24 -0.09 0.00 0.06 0.00 0.00 31.60 31.97 3gqo h MET 150 CO -0.01 -0.71 0.39 1.15 1.06 0.00 0.00 176.91 178.79 3gqo h THR 151 N -1.10 0.74 -0.20 2.22 2.02 -1.23 0.63 112.91 115.99 3gqo h THR 151 Ca -0.11 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 3gqo h THR 151 Cb 0.86 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 3gqo h THR 151 CO 0.16 0.11 0.08 -0.07 0.37 0.00 0.00 175.52 176.16 3gqo h LEU 152 N 0.58 0.28 -0.57 2.58 3.38 0.40 0.25 115.31 122.21 3gqo h LEU 152 Ca 0.42 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 3gqo h LEU 152 Cb 0.57 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 3gqo h LEU 152 CO -0.35 0.37 0.27 0.11 0.09 0.00 0.00 178.44 178.93 3gqo h LYS 153 N 0.16 0.82 0.30 1.13 1.57 0.15 0.98 116.57 121.68 3gqo h LYS 153 Ca 0.07 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3gqo h LYS 153 Cb 0.19 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 3gqo h LYS 153 CO -0.00 0.68 -0.23 0.93 -0.57 0.00 0.00 179.45 180.26 3gqo h GLU 154 N 0.77 -0.51 -0.98 3.15 4.39 0.33 -2.22 114.58 119.51 3gqo h GLU 154 Ca 0.19 0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.94 3gqo h GLU 154 Cb 0.13 0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 28.85 3gqo h GLU 154 CO -0.02 -0.34 0.64 0.00 -1.16 0.00 0.00 179.01 178.13 3gqo h ALA 155 N 0.12 1.28 -0.00 3.43 0.00 -0.31 -2.64 119.26 121.14 3gqo h ALA 155 Ca -0.02 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 3gqo h ALA 155 Cb 0.46 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3gqo h ALA 155 CO -0.00 0.66 -0.56 0.28 0.00 0.00 0.00 179.25 179.62 3gqo h VAL 156 N 1.34 1.41 -0.20 0.00 2.07 -0.73 -3.24 116.25 116.89 3gqo h VAL 156 Ca 0.36 -1.94 -0.06 0.00 0.82 0.00 0.00 66.70 65.89 3gqo h VAL 156 Cb -0.14 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 3gqo h VAL 156 CO -0.08 0.55 -0.09 0.00 0.02 0.00 0.00 177.57 177.98 3gqo h ALA 157 N 1.43 0.28 -0.10 1.67 0.00 -1.01 -3.30 119.26 118.24 3gqo h ALA 157 Ca -0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3gqo h ALA 157 Cb 1.00 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 3gqo h ALA 157 CO 0.07 0.11 -0.00 0.07 0.00 0.00 0.00 179.25 179.50 3gqo h ARG 158 N 0.12 0.18 0.00 0.00 0.11 -1.64 -3.52 114.38 109.63 3gqo h ARG 158 Ca 0.05 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 60.07 3gqo h ARG 158 Cb 0.57 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.64 3gqo h ARG 158 CO 0.03 0.44 0.00 -2.13 0.10 0.00 0.00 179.97 178.41