#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gqo s ALA 1 N 0.00 2.50 0.55 7.82 0.00 -1.26 -4.61 121.76 126.76 3gqo s ALA 1 Ca 0.00 -1.24 -0.05 0.00 0.00 0.00 0.00 51.96 50.67 3gqo s ALA 1 Cb 0.00 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.47 3gqo s ALA 1 CO 0.00 0.56 0.85 -1.25 0.00 0.00 0.00 175.76 175.92 3gqo s PRO 2 N -1.48 3.11 -0.03 0.00 0.04 -1.22 -4.69 135.00 130.72 3gqo s PRO 2 Ca 0.14 0.01 0.06 0.00 0.04 0.00 0.00 61.00 61.26 3gqo s PRO 2 Cb -0.10 -2.32 -0.01 0.00 0.04 0.00 0.00 34.50 32.10 3gqo s PRO 2 CO 0.05 -0.52 -0.22 0.45 0.04 0.00 0.00 177.00 176.79 3gqo s SER 3 N -4.24 2.68 0.05 6.66 0.15 -0.76 -4.99 113.70 113.25 3gqo s SER 3 Ca 0.52 -0.42 0.08 0.00 0.70 0.00 0.00 55.95 56.82 3gqo s SER 3 Cb -0.10 -0.47 -0.03 0.00 -1.71 0.00 0.00 66.02 63.71 3gqo s SER 3 CO 0.44 0.25 -0.22 -0.31 1.20 0.00 0.00 173.24 174.60 3gqo s TYR 4 N -0.36 1.96 0.22 3.44 1.51 -1.26 0.15 117.35 123.02 3gqo s TYR 4 Ca 0.04 -0.39 -0.18 0.00 -1.01 0.00 0.00 57.07 55.53 3gqo s TYR 4 Cb -0.10 -1.16 0.03 0.00 -0.11 0.00 0.00 41.96 40.61 3gqo s TYR 4 CO 0.01 0.12 0.58 -3.38 -1.11 0.00 0.00 175.55 171.77 3gqo s HIS 5 N -0.85 -0.11 -0.09 2.71 -3.43 -0.76 -4.97 115.29 107.80 3gqo s HIS 5 Ca 0.09 -0.26 0.01 0.00 -0.80 0.00 0.00 55.06 54.10 3gqo s HIS 5 Cb -0.09 0.47 -0.02 0.00 -1.43 0.00 0.00 32.58 31.50 3gqo s HIS 5 CO 0.02 -1.01 -0.11 0.08 -2.00 0.00 0.00 174.74 171.73 3gqo s VAL 6 N -3.89 3.32 -0.13 -5.38 1.01 -1.26 -0.90 120.40 113.17 3gqo s VAL 6 Ca 0.11 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.51 3gqo s VAL 6 Cb -0.02 -2.36 0.01 0.00 0.00 0.00 0.00 36.38 34.00 3gqo s VAL 6 CO 0.01 0.56 -0.20 -0.69 0.00 0.00 0.00 175.10 174.78 3gqo s VAL 7 N -0.29 1.86 -0.39 2.92 1.01 -0.18 -4.87 120.40 120.46 3gqo s VAL 7 Ca 0.03 -0.86 -0.18 0.00 0.00 0.00 0.00 61.98 60.97 3gqo s VAL 7 Cb -0.13 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.60 3gqo s VAL 7 CO 0.03 0.51 0.51 -0.60 0.00 0.00 0.00 175.10 175.55 3gqo s ARG 8 N 0.88 3.42 0.00 2.72 3.52 -1.26 -2.18 118.95 126.04 3gqo s ARG 8 Ca -0.07 -0.37 0.00 0.00 -0.13 0.00 0.00 55.73 55.16 3gqo s ARG 8 Cb -0.15 -3.88 0.00 0.00 -1.56 0.00 0.00 34.95 29.36 3gqo s ARG 8 CO -0.02 -0.77 0.00 0.41 -0.81 0.00 0.00 175.30 174.12 3gqo n GLY 9 N 4.94 -0.79 3.65 8.12 0.00 -0.51 -4.97 105.19 115.63 3gqo n GLY 9 Ca -0.05 -1.29 -0.43 0.00 0.00 0.00 0.00 46.02 44.25 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 0.00 6.93 0.63 1.61 2.15 -1.26 -4.35 116.67 122.39 3gqo s ASP 10 Ca 0.00 1.36 0.41 0.00 0.43 0.00 0.00 52.55 54.74 3gqo s ASP 10 Cb 0.00 -2.54 2.15 0.00 -0.30 0.00 0.00 42.92 42.23 3gqo s ASP 10 CO 0.00 -0.83 2.29 -0.29 -0.17 0.00 0.00 175.17 176.17 3gqo h ILE 11 N 5.63 0.09 0.00 4.11 2.10 -1.97 0.47 117.51 127.94 3gqo h ILE 11 Ca -0.23 -0.11 0.00 0.00 1.08 0.00 0.00 64.86 65.60 3gqo h ILE 11 Cb 1.08 1.10 0.00 0.00 -1.09 0.00 0.00 36.82 37.91 3gqo h ILE 11 CO 1.00 0.01 0.00 0.00 -1.08 0.00 0.00 178.15 178.08 3gqo n ALA 12 N -2.12 1.46 -0.40 0.18 0.00 -1.26 -1.64 120.51 116.73 3gqo n ALA 12 Ca -0.02 0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.55 3gqo n ALA 12 Cb 0.12 -1.28 0.22 0.00 0.00 0.00 0.00 19.45 18.51 3gqo n ALA 12 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3gqo n THR 13 N -1.94 1.33 -2.04 0.00 -2.24 0.15 -5.00 114.28 104.54 3gqo n THR 13 Ca 0.02 -1.17 -0.40 0.00 -2.27 0.00 0.00 64.05 60.22 3gqo n THR 13 Cb 0.15 0.33 -0.01 0.00 -2.10 0.00 0.00 70.33 68.69 3gqo n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gqo s ALA 14 N -1.42 3.45 -0.51 6.98 0.00 -0.65 -4.93 121.76 124.69 3gqo s ALA 14 Ca 0.34 1.32 0.23 0.00 0.00 0.00 0.00 51.96 53.85 3gqo s ALA 14 Cb 0.20 -3.51 0.12 0.00 0.00 0.00 0.00 23.12 19.94 3gqo s ALA 14 CO 0.18 -0.77 1.10 0.25 0.00 0.00 0.00 175.76 176.53 3gqo n THR 15 N 0.56 0.33 -1.65 0.00 -2.24 -1.26 -4.90 114.28 105.13 3gqo n THR 15 Ca 0.01 -0.34 -0.40 0.00 -2.27 0.00 0.00 64.05 61.06 3gqo n THR 15 Cb 0.42 -0.04 0.03 0.00 -2.10 0.00 0.00 70.33 68.63 3gqo n THR 15 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3gqo n GLU 16 N -2.19 1.37 0.14 -0.78 4.71 -1.26 -4.91 120.64 117.72 3gqo n GLU 16 Ca 0.02 0.50 0.01 0.00 -0.01 0.00 0.00 57.16 57.68 3gqo n GLU 16 Cb 0.47 -2.21 0.14 0.00 -1.01 0.00 0.00 31.44 28.83 3gqo n GLU 16 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 3gqo h GLY 17 N 1.31 0.00 -6.57 0.62 0.00 -1.91 -3.43 103.07 93.10 3gqo h GLY 17 Ca -0.47 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.20 3gqo h GLY 17 CO 0.56 0.00 -0.75 0.14 0.00 0.00 0.00 176.54 176.48 3gqo s VAL 18 N -3.29 3.10 -0.04 4.60 1.01 -1.24 -1.76 120.40 122.78 3gqo s VAL 18 Ca 0.01 -0.59 0.06 0.00 0.00 0.00 0.00 61.98 61.46 3gqo s VAL 18 Cb 0.10 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 3gqo s VAL 18 CO 0.74 0.45 -0.24 -0.63 0.00 0.00 0.00 175.10 175.42 3gqo s ILE 19 N 1.35 1.96 -0.02 2.22 1.01 0.34 -0.06 121.20 128.00 3gqo s ILE 19 Ca 0.04 -1.03 -0.19 0.00 0.00 0.00 0.00 60.65 59.47 3gqo s ILE 19 Cb -0.14 -1.65 -0.05 0.00 0.01 0.00 0.00 42.46 40.63 3gqo s ILE 19 CO -0.04 0.55 0.54 -0.63 0.00 0.00 0.00 174.94 175.35 3gqo s ILE 20 N -0.28 4.98 -0.12 2.92 1.09 -0.09 -0.78 121.20 128.92 3gqo s ILE 20 Ca 0.01 1.11 -0.06 0.00 -1.10 0.00 0.00 60.65 60.61 3gqo s ILE 20 Cb -0.12 -3.87 -0.04 0.00 -1.06 0.00 0.00 42.46 37.37 3gqo s ILE 20 CO 0.02 0.43 0.09 0.21 -0.10 0.00 0.00 174.94 175.59 3gqo s ASN 21 N -0.22 5.97 -1.13 3.58 2.47 0.24 -4.48 114.94 121.37 3gqo s ASN 21 Ca 0.29 0.33 -0.18 0.00 0.42 0.00 0.00 52.86 53.72 3gqo s ASN 21 Cb -0.17 -1.88 0.11 0.00 -1.45 0.00 0.00 41.25 37.86 3gqo s ASN 21 CO 0.15 0.38 1.45 0.00 -3.72 0.00 0.00 177.10 175.36 3gqo s ALA 22 N -0.84 3.43 0.62 1.71 0.00 -1.26 -0.92 121.76 124.51 3gqo s ALA 22 Ca 0.13 -2.90 -0.07 0.00 0.00 0.00 0.00 51.96 49.12 3gqo s ALA 22 Cb -0.12 -4.32 0.02 0.00 0.00 0.00 0.00 23.12 18.69 3gqo s ALA 22 CO 0.03 -3.12 0.94 0.00 0.00 0.00 0.00 175.76 173.61 3gqo s ALA 23 N 3.17 3.24 0.32 0.00 0.00 0.76 -4.46 121.76 124.79 3gqo s ALA 23 Ca 0.44 -0.68 -0.02 0.00 0.00 0.00 0.00 51.96 51.70 3gqo s ALA 23 Cb -0.01 -2.65 -0.04 0.00 0.00 0.00 0.00 23.12 20.42 3gqo s ALA 23 CO -0.02 -0.90 0.54 1.21 0.00 0.00 0.00 175.76 176.59 3gqo s ASN 24 N -4.34 6.35 0.54 0.00 3.84 -1.26 -4.29 114.94 115.77 3gqo s ASN 24 Ca 0.55 0.55 0.33 0.00 0.21 0.00 0.00 52.86 54.50 3gqo s ASN 24 Cb -0.11 -2.07 1.33 0.00 -0.55 0.00 0.00 41.25 39.85 3gqo s ASN 24 CO 0.46 -0.25 1.97 0.77 -2.79 0.00 0.00 177.10 177.26 3gqo h SER 25 N 1.15 0.00 0.39 -4.21 4.64 -1.92 -2.58 113.55 111.01 3gqo h SER 25 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3gqo h SER 25 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3gqo h SER 25 CO 0.64 0.00 -0.14 0.29 -0.87 0.00 0.00 176.83 176.75 3gqo n LYS 26 N -3.06 0.63 -1.00 4.77 5.02 -1.26 -1.66 118.16 121.59 3gqo n LYS 26 Ca 0.01 -0.23 -0.00 0.00 -2.02 0.00 0.00 58.31 56.06 3gqo n LYS 26 Cb 0.31 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.82 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 1.31 0.45 3.93 0.72 0.00 -0.97 -4.14 105.19 106.48 3gqo n GLY 27 Ca 0.13 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.30 3.45 0.45 1.61 1.11 -1.26 -4.17 119.66 120.54 3gqo s GLN 28 Ca 0.00 -0.48 -0.24 0.00 0.01 0.00 0.00 55.36 54.65 3gqo s GLN 28 Cb 0.00 -3.01 -0.08 0.00 -1.01 0.00 0.00 33.01 28.92 3gqo s GLN 28 CO 0.00 0.57 1.30 -1.25 0.01 0.00 0.00 175.29 175.93 3gqo s PRO 29 N -2.76 3.72 0.00 2.91 0.04 -1.26 -4.62 135.00 133.03 3gqo s PRO 29 Ca 0.35 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.53 3gqo s PRO 29 Cb -0.12 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.84 3gqo s PRO 29 CO 0.28 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 177.04 3gqo n GLY 30 N 0.63 2.42 0.00 0.56 0.00 -1.26 -5.02 105.19 102.52 3gqo n GLY 30 Ca 0.06 -0.37 0.09 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.80 0.00 -0.02 0.00 -1.26 -3.05 105.19 100.06 3gqo n GLY 31 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 1.43 1.65 0.30 -0.02 0.00 -1.26 -4.57 105.19 102.73 3gqo n GLY 32 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.12 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 1.01 -0.57 1.61 -1.51 -1.96 -2.12 116.25 112.71 3gqo h VAL 33 Ca 0.00 -0.10 -0.04 0.00 -1.23 0.00 0.00 66.70 65.33 3gqo h VAL 33 Cb 0.00 0.71 -0.02 0.00 -2.13 0.00 0.00 31.29 29.84 3gqo h VAL 33 CO 0.00 0.05 0.18 0.00 -1.23 0.00 0.00 177.57 176.58 3gqo h GLY 35 N 0.80 0.40 0.97 0.00 0.00 -1.42 -0.79 103.07 103.04 3gqo h GLY 35 Ca 0.18 -0.34 -0.13 0.00 0.00 0.00 0.00 47.33 47.05 3gqo h GLY 35 CO -0.01 0.31 -0.36 0.00 0.00 0.00 0.00 176.54 176.48 3gqo h ALA 36 N 1.37 0.38 -0.03 3.60 0.00 -0.68 -1.90 119.26 122.00 3gqo h ALA 36 Ca 0.05 -0.44 -0.15 0.00 0.00 0.00 0.00 54.91 54.37 3gqo h ALA 36 Cb 0.68 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3gqo h ALA 36 CO 0.05 0.45 -0.66 -0.07 0.00 0.00 0.00 179.25 179.02 3gqo h LEU 37 N 0.40 0.15 -0.41 0.00 3.38 -0.10 -2.66 115.31 116.07 3gqo h LEU 37 Ca 0.02 -0.09 -0.16 0.00 0.09 0.00 0.00 57.88 57.74 3gqo h LEU 37 Cb 0.95 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 3gqo h LEU 37 CO 0.08 0.76 -0.45 0.22 0.09 0.00 0.00 178.44 179.15 3gqo h TYR 38 N 0.09 1.03 -0.84 1.13 3.20 -1.14 0.19 116.97 120.63 3gqo h TYR 38 Ca -0.01 -0.33 0.07 0.00 3.14 0.00 0.00 58.73 61.60 3gqo h TYR 38 Cb 1.18 -0.21 -0.06 0.00 1.54 0.00 0.00 36.73 39.17 3gqo h TYR 38 CO 0.01 1.13 0.51 -0.22 -1.64 0.00 0.00 178.16 177.96 3gqo h LYS 39 N 0.68 0.89 0.00 1.82 3.64 -1.19 -3.07 116.57 119.33 3gqo h LYS 39 Ca 0.04 -0.05 -0.20 0.00 -1.27 0.00 0.00 60.65 59.17 3gqo h LYS 39 Cb 1.03 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.62 3gqo h LYS 39 CO 0.10 0.59 -1.11 0.87 -2.27 0.00 0.00 179.45 177.63 3gqo h LYS 40 N 0.91 0.00 -2.42 1.90 1.57 -1.46 -3.43 116.57 113.64 3gqo h LYS 40 Ca 0.38 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.55 3gqo h LYS 40 Cb 0.22 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 32.11 3gqo h LYS 40 CO -0.19 0.96 -0.62 1.19 -0.57 0.00 0.00 179.45 180.22 3gqo n PHE 41 N -4.46 3.25 0.19 -1.35 3.72 0.67 -4.88 117.46 114.59 3gqo n PHE 41 Ca -0.29 -4.15 0.05 0.00 -0.05 0.00 0.00 57.45 53.01 3gqo n PHE 41 Cb 0.64 -0.55 0.32 0.00 -0.94 0.00 0.00 39.48 38.95 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 4.51 0.00 0.00 -1.08 0.13 -1.69 -2.69 132.00 131.18 3gqo h PRO 42 Ca 0.18 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.30 3gqo h PRO 42 Cb 0.70 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.83 3gqo h PRO 42 CO 0.78 0.38 -0.04 0.93 -0.23 0.00 0.00 178.00 179.82 3gqo h GLU 43 N 0.00 0.00 -0.82 0.86 3.07 -1.90 -2.39 114.58 113.40 3gqo h GLU 43 Ca -0.00 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.69 3gqo h GLU 43 Cb 0.92 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 28.73 3gqo h GLU 43 CO 0.05 0.04 0.22 0.43 -1.40 0.00 0.00 179.01 178.35 3gqo n SER 44 N -3.27 4.13 -4.30 1.42 7.64 -1.01 -4.76 113.62 113.47 3gqo n SER 44 Ca -0.01 -2.92 -0.29 0.00 1.01 0.00 0.00 58.87 56.66 3gqo n SER 44 Cb 0.21 -0.69 -0.15 0.00 -1.01 0.00 0.00 64.21 62.57 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 -2.39 2.12 -0.10 1.43 0.08 -0.90 -4.67 117.98 113.56 3gqo s PHE 45 Ca 0.42 -0.40 0.19 0.00 0.12 0.00 0.00 56.93 57.26 3gqo s PHE 45 Cb 0.33 -1.29 -0.29 0.00 -0.57 0.00 0.00 43.02 41.21 3gqo s PHE 45 CO 0.10 0.09 0.45 -0.40 -0.10 0.00 0.00 175.22 175.36 3gqo n ASP 46 N 1.93 0.65 -0.08 1.36 5.68 -1.26 -5.00 116.55 119.83 3gqo n ASP 46 Ca -0.17 -0.08 -0.01 0.00 -0.50 0.00 0.00 54.79 54.04 3gqo n ASP 46 Cb 0.52 1.80 -0.00 0.00 -1.14 0.00 0.00 41.12 42.30 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 -2.10 0.13 -4.91 -2.12 4.77 -1.26 -5.01 117.00 106.49 3gqo n LEU 47 Ca -0.03 0.02 -0.31 0.00 -0.03 0.00 0.00 56.01 55.67 3gqo n LEU 47 Cb 0.48 -1.02 -0.04 0.00 -2.33 0.00 0.00 43.42 40.51 3gqo n LEU 47 CO 0.40 -0.26 -0.06 -1.10 -1.33 0.00 0.00 177.39 175.05 3gqo s GLN 48 N -0.87 3.53 0.74 3.23 -1.52 -1.26 -4.74 119.66 118.77 3gqo s GLN 48 Ca 0.00 -0.27 -0.15 0.00 -1.95 0.00 0.00 55.36 52.98 3gqo s GLN 48 Cb 0.00 -2.94 0.04 0.00 -0.22 0.00 0.00 33.01 29.89 3gqo s GLN 48 CO 0.00 0.53 1.23 -0.35 -0.25 0.00 0.00 175.29 176.45 3gqo n PRO 49 N 0.14 0.59 -4.66 2.91 -0.04 -1.26 -4.31 135.00 128.36 3gqo n PRO 49 Ca -0.04 0.27 -0.24 0.00 -0.04 0.00 0.00 63.50 63.45 3gqo n PRO 49 Cb 0.51 -2.47 -0.14 0.00 -0.04 0.00 0.00 33.50 31.36 3gqo n PRO 49 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3gqo s ILE 50 N -1.80 1.48 0.49 0.52 1.01 -0.67 -4.91 121.20 117.32 3gqo s ILE 50 Ca 0.77 -1.02 -0.22 0.00 0.00 0.00 0.00 60.65 60.18 3gqo s ILE 50 Cb -0.33 -1.28 -0.07 0.00 0.01 0.00 0.00 42.46 40.79 3gqo s ILE 50 CO 0.46 0.24 1.19 -1.61 0.00 0.00 0.00 174.94 175.22 3gqo s GLU 51 N -0.92 3.59 0.31 2.79 2.02 -1.26 -4.34 118.70 120.90 3gqo s GLU 51 Ca 0.06 1.82 -0.30 0.00 0.02 0.00 0.00 54.97 56.58 3gqo s GLU 51 Cb -0.08 -2.32 -0.11 0.00 0.10 0.00 0.00 34.13 31.72 3gqo s GLU 51 CO 0.01 -0.70 1.58 0.28 0.02 0.00 0.00 175.26 176.45 3gqo n VAL 52 N -0.70 1.25 -0.85 2.63 0.31 -1.26 -1.27 118.33 118.43 3gqo n VAL 52 Ca 0.08 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 3gqo n VAL 52 Cb 0.48 -1.98 0.00 0.00 -0.91 0.00 0.00 33.84 31.43 3gqo n VAL 52 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gqo n GLY 53 N 1.77 0.87 3.91 2.92 0.00 0.78 -4.99 105.19 110.44 3gqo n GLY 53 Ca 0.07 0.00 -0.24 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 -0.15 2.31 -0.03 1.61 3.01 -0.40 -2.67 119.74 123.42 3gqo s LYS 54 Ca 0.00 -1.88 -0.12 0.00 -1.01 0.00 0.00 55.97 52.95 3gqo s LYS 54 Cb 0.00 -2.21 0.02 0.00 -1.01 0.00 0.00 37.83 34.63 3gqo s LYS 54 CO 0.00 -0.55 0.28 0.00 0.51 0.00 0.00 175.35 175.58 3gqo s ALA 55 N -2.70 -0.69 -0.05 5.17 0.00 -1.26 -1.74 121.76 120.49 3gqo s ALA 55 Ca 0.40 0.35 0.03 0.00 0.00 0.00 0.00 51.96 52.74 3gqo s ALA 55 Cb -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.06 3gqo s ALA 55 CO 0.25 -0.23 -0.14 0.50 0.00 0.00 0.00 175.76 176.14 3gqo s ARG 56 N -1.03 1.61 0.21 0.00 3.52 -0.64 -4.95 118.95 117.67 3gqo s ARG 56 Ca -0.11 -0.48 -0.30 0.00 -0.13 0.00 0.00 55.73 54.71 3gqo s ARG 56 Cb -0.05 -1.38 -0.08 0.00 -1.56 0.00 0.00 34.95 31.88 3gqo s ARG 56 CO 0.03 0.13 0.98 -1.17 -0.81 0.00 0.00 175.30 174.46 3gqo s LEU 57 N 0.32 4.59 -0.13 -0.88 2.96 -1.26 -1.26 118.68 123.01 3gqo s LEU 57 Ca -0.08 1.97 0.00 0.00 -0.22 0.00 0.00 54.13 55.80 3gqo s LEU 57 Cb -0.13 -3.61 0.02 0.00 0.50 0.00 0.00 46.19 42.98 3gqo s LEU 57 CO 0.03 0.03 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.28 3gqo s VAL 58 N -0.82 1.37 -0.46 1.68 1.01 0.23 -4.97 120.40 118.45 3gqo s VAL 58 Ca 0.44 -0.51 -0.22 0.00 0.00 0.00 0.00 61.98 61.68 3gqo s VAL 58 Cb -0.27 -1.32 0.03 0.00 0.00 0.00 0.00 36.38 34.83 3gqo s VAL 58 CO 0.33 0.43 0.75 -0.54 0.00 0.00 0.00 175.10 176.07 3gqo s LYS 59 N 1.52 3.35 0.11 2.72 3.01 -1.26 -0.37 119.74 128.82 3gqo s LYS 59 Ca 0.04 -0.23 0.07 0.00 -1.01 0.00 0.00 55.97 54.84 3gqo s LYS 59 Cb -0.13 -3.96 -0.04 0.00 -1.01 0.00 0.00 37.83 32.69 3gqo s LYS 59 CO -0.09 -1.12 -0.09 0.20 0.51 0.00 0.00 175.35 174.76 3gqo s GLY 60 N 2.17 1.80 0.29 -3.33 0.00 -0.10 -4.92 107.32 103.24 3gqo s GLY 60 Ca 0.27 -1.24 -0.02 0.00 0.00 0.00 0.00 44.72 43.73 3gqo s GLY 60 CO 0.21 -1.23 1.93 0.00 0.00 0.00 0.00 173.10 174.01 3gqo h ALA 61 N 3.55 1.43 0.03 3.20 0.00 -1.96 -2.50 119.26 123.01 3gqo h ALA 61 Ca -0.49 -0.04 -0.28 0.00 0.00 0.00 0.00 54.91 54.10 3gqo h ALA 61 Cb 1.17 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 3gqo h ALA 61 CO 0.53 0.47 -1.51 0.00 0.00 0.00 0.00 179.25 178.74 3gqo h ALA 62 N 1.47 0.54 -2.31 0.00 0.00 -1.99 -3.48 119.26 113.50 3gqo h ALA 62 Ca 0.37 -1.25 -0.06 0.00 0.00 0.00 0.00 54.91 53.97 3gqo h ALA 62 Cb 0.04 0.30 -0.23 0.00 0.00 0.00 0.00 17.79 17.90 3gqo h ALA 62 CO -0.11 1.39 -0.08 0.21 0.00 0.00 0.00 179.25 180.66 3gqo s LYS 63 N -2.63 0.62 -0.17 0.00 2.47 -0.94 -5.01 119.74 114.08 3gqo s LYS 63 Ca -0.05 0.93 -0.18 0.00 -1.56 0.00 0.00 55.97 55.11 3gqo s LYS 63 Cb 0.08 0.19 -0.04 0.00 -1.46 0.00 0.00 37.83 36.60 3gqo s LYS 63 CO 0.83 -0.12 0.48 -1.01 0.16 0.00 0.00 175.35 175.68 3gqo s HIS 64 N 0.98 3.42 -0.14 4.03 3.76 -0.72 -0.92 115.29 125.70 3gqo s HIS 64 Ca -0.05 0.78 0.00 0.00 -0.15 0.00 0.00 55.06 55.64 3gqo s HIS 64 Cb -0.05 -2.60 0.02 0.00 1.11 0.00 0.00 32.58 31.06 3gqo s HIS 64 CO -0.09 0.01 -0.13 0.42 -0.85 0.00 0.00 174.74 174.10 3gqo s ILE 65 N 1.22 1.47 -0.37 0.60 1.01 0.50 -0.50 121.20 125.13 3gqo s ILE 65 Ca 0.24 -0.58 -0.19 0.00 0.00 0.00 0.00 60.65 60.12 3gqo s ILE 65 Cb -0.15 -1.39 0.00 0.00 0.01 0.00 0.00 42.46 40.93 3gqo s ILE 65 CO 0.09 0.44 0.55 -0.63 0.00 0.00 0.00 174.94 175.39 3gqo s ILE 66 N 1.43 4.97 -0.52 2.92 1.01 0.04 -0.60 121.20 130.44 3gqo s ILE 66 Ca 0.03 0.29 -0.22 0.00 0.00 0.00 0.00 60.65 60.74 3gqo s ILE 66 Cb -0.13 -4.02 0.04 0.00 0.01 0.00 0.00 42.46 38.36 3gqo s ILE 66 CO -0.09 -0.31 0.82 -1.00 0.00 0.00 0.00 174.94 174.37 3gqo s HIS 67 N 2.49 2.90 -0.11 3.97 3.76 -0.39 0.80 115.29 128.71 3gqo s HIS 67 Ca 0.20 -0.15 -0.03 0.00 -0.15 0.00 0.00 55.06 54.93 3gqo s HIS 67 Cb -0.15 -3.85 -0.03 0.00 1.11 0.00 0.00 32.58 29.65 3gqo s HIS 67 CO 0.14 -1.21 0.00 0.00 -0.85 0.00 0.00 174.74 172.83 3gqo s ALA 68 N 3.46 3.25 -0.37 -1.40 0.00 -0.09 -1.62 121.76 124.99 3gqo s ALA 68 Ca 0.26 -0.80 -0.07 0.00 0.00 0.00 0.00 51.96 51.35 3gqo s ALA 68 Cb -0.14 -1.54 0.06 0.00 0.00 0.00 0.00 23.12 21.49 3gqo s ALA 68 CO 0.17 0.48 0.17 0.08 0.00 0.00 0.00 175.76 176.66 3gqo s VAL 69 N -0.54 3.88 0.72 0.00 1.01 -0.71 -0.17 120.40 124.59 3gqo s VAL 69 Ca 0.09 -1.32 -0.11 0.00 0.00 0.00 0.00 61.98 60.65 3gqo s VAL 69 Cb -0.12 -3.30 0.03 0.00 0.00 0.00 0.00 36.38 32.99 3gqo s VAL 69 CO 0.02 -0.34 1.10 -0.83 0.00 0.00 0.00 175.10 175.05 3gqo s GLY 70 N 1.69 1.62 0.47 4.51 0.00 -1.26 -0.16 107.32 114.18 3gqo s GLY 70 Ca 0.01 -0.48 -0.22 0.00 0.00 0.00 0.00 44.72 44.02 3gqo s GLY 70 CO 0.02 -0.09 1.14 2.56 0.00 0.00 0.00 173.10 176.73 3gqo s PRO 71 N -5.38 3.75 -0.72 2.90 0.04 -1.26 -4.76 135.00 129.56 3gqo s PRO 71 Ca 0.59 1.70 -0.20 0.00 0.04 0.00 0.00 61.00 63.13 3gqo s PRO 71 Cb -0.11 -2.35 0.11 0.00 0.04 0.00 0.00 34.50 32.19 3gqo s PRO 71 CO 0.50 -0.54 0.91 1.21 0.04 0.00 0.00 177.00 179.11 3gqo s ASN 72 N -1.47 6.35 0.00 6.66 2.47 -1.26 -4.69 114.94 122.99 3gqo s ASN 72 Ca 0.64 -1.57 0.07 0.00 0.42 0.00 0.00 52.86 52.43 3gqo s ASN 72 Cb -0.27 -2.36 0.41 0.00 -1.45 0.00 0.00 41.25 37.59 3gqo s ASN 72 CO 0.32 -1.16 0.91 0.49 -3.72 0.00 0.00 177.10 173.94 3gqo n PHE 73 N 6.64 0.00 0.08 0.43 3.01 0.67 0.11 117.46 128.40 3gqo n PHE 73 Ca 0.03 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.43 3gqo n PHE 73 Cb 0.45 -0.04 0.08 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 0.32 0.00 4.37 4.21 -1.86 -3.39 115.58 119.23 3gqo h ASN 74 Ca 0.00 -0.20 -0.27 0.00 1.21 0.00 0.00 56.30 57.04 3gqo h ASN 74 Cb 0.01 -0.09 -0.05 0.00 -1.12 0.00 0.00 38.32 37.06 3gqo h ASN 74 CO 0.00 0.90 -2.12 0.29 -1.29 0.00 0.00 177.43 175.21 3gqo n LYS 75 N -3.83 1.16 -4.22 0.81 5.02 0.12 -5.04 118.16 112.18 3gqo n LYS 75 Ca -0.03 -0.03 -0.28 0.00 -2.02 0.00 0.00 58.31 55.96 3gqo n LYS 75 Cb 0.67 -1.43 -0.08 0.00 -0.02 0.00 0.00 35.03 34.16 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 -2.51 3.58 0.92 -0.18 -7.23 -0.71 -5.09 120.40 109.19 3gqo s VAL 76 Ca -0.08 -1.39 -0.11 0.00 -1.81 0.00 0.00 61.98 58.59 3gqo s VAL 76 Cb 0.06 -2.76 0.15 0.00 0.56 0.00 0.00 36.38 34.39 3gqo s VAL 76 CO 0.70 -0.04 1.11 -0.94 -0.31 0.00 0.00 175.10 175.62 3gqo s SER 77 N -2.71 2.98 0.21 4.85 1.04 -1.26 -4.68 113.70 114.13 3gqo s SER 77 Ca 0.26 1.92 -0.09 0.00 0.48 0.00 0.00 55.95 58.52 3gqo s SER 77 Cb -0.10 -2.47 0.15 0.00 0.10 0.00 0.00 66.02 63.71 3gqo s SER 77 CO 0.17 -3.02 1.79 -0.33 0.98 0.00 0.00 173.24 172.83 3gqo h GLU 78 N -1.81 1.12 0.17 4.02 4.39 -1.98 1.00 114.58 121.49 3gqo h GLU 78 Ca -0.47 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.05 3gqo h GLU 78 Cb 1.27 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 3gqo h GLU 78 CO 0.46 0.88 -0.08 0.28 -1.16 0.00 0.00 179.01 179.39 3gqo h VAL 79 N 1.09 0.95 -0.27 3.13 2.07 -1.99 -0.81 116.25 120.42 3gqo h VAL 79 Ca 0.26 -0.61 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 3gqo h VAL 79 Cb 0.14 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3gqo h VAL 79 CO -0.03 0.14 -0.05 -0.08 0.02 0.00 0.00 177.57 177.57 3gqo h GLU 80 N -0.53 0.50 -0.36 1.57 4.57 -1.92 -2.03 114.58 116.38 3gqo h GLU 80 Ca -0.02 -0.18 0.07 0.00 -1.18 0.00 0.00 59.36 58.05 3gqo h GLU 80 Cb 0.40 -0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 28.89 3gqo h GLU 80 CO 0.04 0.70 -0.12 0.78 -1.18 0.00 0.00 179.01 179.23 3gqo h GLY 81 N 0.26 0.21 1.31 1.92 0.00 -0.85 -1.18 103.07 104.74 3gqo h GLY 81 Ca 0.07 0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.52 3gqo h GLY 81 CO 0.02 -0.16 0.26 -1.80 0.00 0.00 0.00 176.54 174.87 3gqo h ASP 82 N -0.04 0.81 -0.81 0.19 3.58 -1.02 0.15 116.42 119.28 3gqo h ASP 82 Ca 0.18 -0.10 0.01 0.00 0.42 0.00 0.00 57.03 57.54 3gqo h ASP 82 Cb 0.31 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 41.11 3gqo h ASP 82 CO -0.39 0.72 0.54 0.50 -2.88 0.00 0.00 179.24 177.72 3gqo h LYS 83 N 0.89 1.05 0.03 0.28 3.64 -0.75 -2.67 116.57 119.03 3gqo h LYS 83 Ca 0.21 -0.06 -0.21 0.00 -1.27 0.00 0.00 60.65 59.32 3gqo h LYS 83 Cb 0.15 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3gqo h LYS 83 CO -0.02 0.70 -0.97 1.96 -2.27 0.00 0.00 179.45 178.84 3gqo h GLN 84 N 1.08 0.14 -0.07 1.90 4.20 -0.08 -2.41 115.11 119.87 3gqo h GLN 84 Ca 0.31 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 3gqo h GLN 84 Cb -0.09 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 3gqo h GLN 84 CO -0.08 1.00 0.04 1.25 -0.67 0.00 0.00 178.83 180.37 3gqo h LEU 85 N 0.06 0.08 -0.55 1.46 5.85 -0.90 -1.13 115.31 120.18 3gqo h LEU 85 Ca -0.05 -0.07 0.09 0.00 0.84 0.00 0.00 57.88 58.69 3gqo h LEU 85 Cb 1.65 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 42.59 3gqo h LEU 85 CO 0.14 0.13 0.15 0.00 -0.34 0.00 0.00 178.44 178.52 3gqo h ALA 86 N 0.96 0.66 -0.78 1.25 0.00 -1.45 -2.66 119.26 117.24 3gqo h ALA 86 Ca 0.02 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3gqo h ALA 86 Cb 0.06 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3gqo h ALA 86 CO -0.00 -0.26 0.52 0.93 0.00 0.00 0.00 179.25 180.43 3gqo h GLU 87 N 0.31 1.03 -0.14 0.00 5.08 -1.02 -0.57 114.58 119.27 3gqo h GLU 87 Ca 0.28 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.48 3gqo h GLU 87 Cb 0.36 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3gqo h GLU 87 CO -0.32 0.69 -0.28 0.00 -1.00 0.00 0.00 179.01 178.09 3gqo h ALA 88 N 1.51 0.23 -0.73 3.43 0.00 -0.99 0.31 119.26 123.02 3gqo h ALA 88 Ca 0.29 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3gqo h ALA 88 Cb -0.12 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3gqo h ALA 88 CO -0.06 0.23 0.35 1.88 0.00 0.00 0.00 179.25 181.65 3gqo h TYR 89 N 0.05 1.06 -0.24 0.00 0.05 -1.36 -0.61 116.97 115.92 3gqo h TYR 89 Ca 0.01 -0.05 -0.04 0.00 0.05 0.00 0.00 58.73 58.69 3gqo h TYR 89 Cb 0.87 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 38.27 3gqo h TYR 89 CO 0.10 0.78 -0.02 0.93 -1.05 0.00 0.00 178.16 178.90 3gqo h GLU 90 N 1.02 0.36 -0.45 4.88 5.08 -0.92 -1.33 114.58 123.22 3gqo h GLU 90 Ca 0.25 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.42 3gqo h GLU 90 Cb 0.13 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3gqo h GLU 90 CO -0.03 0.40 -0.22 0.77 -1.00 0.00 0.00 179.01 178.94 3gqo h SER 91 N 0.35 0.94 0.35 1.42 0.02 0.13 -2.73 113.55 114.04 3gqo h SER 91 Ca 0.08 -0.35 -0.02 0.00 -0.84 0.00 0.00 61.79 60.66 3gqo h SER 91 Cb 0.27 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.56 3gqo h SER 91 CO 0.01 1.12 -0.17 0.40 -1.14 0.00 0.00 176.83 177.04 3gqo h ILE 92 N 0.79 0.66 -0.79 3.27 2.04 -0.42 -2.60 117.51 120.48 3gqo h ILE 92 Ca 0.11 -0.21 0.14 0.00 1.00 0.00 0.00 64.86 65.90 3gqo h ILE 92 Cb 0.77 0.77 -0.09 0.00 -0.74 0.00 0.00 36.82 37.53 3gqo h ILE 92 CO 0.06 0.04 0.35 0.00 0.00 0.00 0.00 178.15 178.61 3gqo h ALA 93 N 0.02 1.14 -0.85 1.87 0.00 -1.32 0.14 119.26 120.26 3gqo h ALA 93 Ca -0.05 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3gqo h ALA 93 Cb 0.43 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 3gqo h ALA 93 CO 0.08 -0.16 0.53 -0.22 0.00 0.00 0.00 179.25 179.48 3gqo h LYS 94 N 0.51 0.96 -0.10 0.00 3.64 -1.35 0.37 116.57 120.61 3gqo h LYS 94 Ca 0.43 -0.06 -0.20 0.00 -1.27 0.00 0.00 60.65 59.55 3gqo h LYS 94 Cb 0.63 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 3gqo h LYS 94 CO -0.38 0.64 -0.76 0.82 -2.27 0.00 0.00 179.45 177.50 3gqo h ILE 95 N 0.99 1.34 -0.16 2.00 2.04 -0.64 -2.32 117.51 120.76 3gqo h ILE 95 Ca 0.36 -2.09 -0.09 0.00 1.00 0.00 0.00 64.86 64.04 3gqo h ILE 95 Cb 0.11 2.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 3gqo h ILE 95 CO -0.15 0.64 -0.30 0.58 0.00 0.00 0.00 178.15 178.92 3gqo h VAL 96 N 0.37 1.27 0.15 1.67 2.07 -0.26 -2.87 116.25 118.65 3gqo h VAL 96 Ca -0.04 -1.28 -0.24 0.00 0.82 0.00 0.00 66.70 65.96 3gqo h VAL 96 Cb 1.35 1.48 0.03 0.00 -1.52 0.00 0.00 31.29 32.63 3gqo h VAL 96 CO 0.14 0.39 -1.02 0.78 0.02 0.00 0.00 177.57 177.88 3gqo h ASN 97 N 0.27 0.64 0.66 0.57 -0.26 -0.92 -0.68 115.58 115.86 3gqo h ASN 97 Ca 0.04 -0.90 0.00 0.00 -0.56 0.00 0.00 56.30 54.88 3gqo h ASN 97 Cb 0.67 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 37.72 3gqo h ASN 97 CO 0.05 1.49 0.00 0.44 -1.06 0.00 0.00 177.43 178.35 3gqo h ASP 98 N -0.10 0.00 -0.09 5.81 5.19 -1.38 -2.40 116.42 123.45 3gqo h ASP 98 Ca -0.17 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.24 3gqo h ASP 98 Cb 1.78 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.29 3gqo h ASP 98 CO 0.19 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 176.90 3gqo n ASN 99 N -2.43 1.96 -4.06 6.45 3.02 -1.09 -5.01 115.26 114.11 3gqo n ASN 99 Ca 0.01 -1.55 -0.29 0.00 -0.03 0.00 0.00 54.58 52.71 3gqo n ASN 99 Cb 0.21 -0.05 -0.04 0.00 -0.61 0.00 0.00 39.78 39.29 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 0.30 -0.63 -4.63 6.41 5.03 -0.90 -4.88 115.26 115.95 3gqo n ASN 100 Ca 0.05 -1.12 -0.43 0.00 0.87 0.00 0.00 54.58 53.96 3gqo n ASN 100 Cb 0.24 -2.51 -0.03 0.00 -1.02 0.00 0.00 39.78 36.47 3gqo n ASN 100 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 3gqo s TYR 101 N -4.02 3.18 -0.07 3.10 2.02 -0.28 -4.91 117.35 116.36 3gqo s TYR 101 Ca 0.08 1.09 0.14 0.00 -0.37 0.00 0.00 57.07 58.02 3gqo s TYR 101 Cb -0.04 -3.51 -0.19 0.00 -0.40 0.00 0.00 41.96 37.82 3gqo s TYR 101 CO 0.93 -0.68 0.73 1.63 -1.57 0.00 0.00 175.55 176.58 3gqo n LYS 102 N 6.62 0.63 -4.92 -0.62 4.01 -1.26 -4.20 118.16 118.42 3gqo n LYS 102 Ca 0.09 0.27 -0.29 0.00 -0.51 0.00 0.00 58.31 57.87 3gqo n LYS 102 Cb 0.47 -1.80 -0.17 0.00 -0.51 0.00 0.00 35.03 33.02 3gqo n LYS 102 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 3gqo s SER 103 N -5.96 2.61 -0.09 4.39 0.15 -1.26 0.30 113.70 113.83 3gqo s SER 103 Ca -0.04 -0.47 -0.10 0.00 0.70 0.00 0.00 55.95 56.05 3gqo s SER 103 Cb 0.08 -1.19 0.02 0.00 -1.71 0.00 0.00 66.02 63.22 3gqo s SER 103 CO 0.82 0.10 0.27 0.54 1.20 0.00 0.00 173.24 176.17 3gqo s VAL 104 N 0.52 0.01 -0.06 4.45 0.11 -0.96 -3.64 120.40 120.84 3gqo s VAL 104 Ca -0.16 -0.08 0.05 0.00 -2.93 0.00 0.00 61.98 58.85 3gqo s VAL 104 Cb -0.17 -0.41 -0.02 0.00 -1.53 0.00 0.00 36.38 34.25 3gqo s VAL 104 CO 0.06 -0.05 -0.20 0.00 -3.33 0.00 0.00 175.10 171.58 3gqo s ALA 105 N -0.08 2.40 -0.04 1.54 0.00 0.92 -0.82 121.76 125.68 3gqo s ALA 105 Ca -0.02 -1.01 -0.01 0.00 0.00 0.00 0.00 51.96 50.91 3gqo s ALA 105 Cb -0.03 -0.83 0.03 0.00 0.00 0.00 0.00 23.12 22.29 3gqo s ALA 105 CO 0.01 0.45 0.08 0.42 0.00 0.00 0.00 175.76 176.72 3gqo s ILE 106 N -0.34 -0.05 0.74 0.00 1.01 0.38 -0.91 121.20 122.03 3gqo s ILE 106 Ca 0.02 0.18 -0.03 0.00 0.00 0.00 0.00 60.65 60.82 3gqo s ILE 106 Cb -0.12 -0.14 0.13 0.00 0.01 0.00 0.00 42.46 42.33 3gqo s ILE 106 CO 0.02 0.07 1.02 -2.16 0.00 0.00 0.00 174.94 173.90 3gqo s PRO 107 N 1.01 1.63 -0.74 2.79 0.04 -1.26 -0.74 135.00 137.72 3gqo s PRO 107 Ca -0.08 -0.94 -0.18 0.00 0.04 0.00 0.00 61.00 59.84 3gqo s PRO 107 Cb -0.11 -2.27 0.13 0.00 0.04 0.00 0.00 34.50 32.29 3gqo s PRO 107 CO -0.04 -1.51 0.87 -0.51 0.04 0.00 0.00 177.00 175.85 3gqo s LEU 108 N -5.22 5.44 0.19 -3.56 1.43 -1.26 -4.88 118.68 110.82 3gqo s LEU 108 Ca 0.66 -1.80 -0.30 0.00 -1.03 0.00 0.00 54.13 51.66 3gqo s LEU 108 Cb -0.06 -2.33 -0.17 0.00 0.03 0.00 0.00 46.19 43.67 3gqo s LEU 108 CO 0.45 -1.04 0.77 0.18 0.23 0.00 0.00 176.35 176.95 3gqo n LEU 109 N 6.11 -0.13 -0.51 1.79 4.77 -1.26 -2.34 117.00 125.44 3gqo n LEU 109 Ca 0.05 1.15 -0.07 0.00 -0.03 0.00 0.00 56.01 57.11 3gqo n LEU 109 Cb 0.46 -1.05 -0.03 0.00 -2.33 0.00 0.00 43.42 40.47 3gqo n LEU 109 CO 0.52 -2.32 -0.06 -1.20 -1.33 0.00 0.00 177.39 173.00 3gqo n SER 110 N 1.78 -4.74 -0.80 -1.43 7.64 -1.26 -4.79 113.62 110.02 3gqo n SER 110 Ca 0.16 0.16 0.10 0.00 1.01 0.00 0.00 58.87 60.30 3gqo n SER 110 Cb 0.24 -2.83 0.10 0.00 -1.01 0.00 0.00 64.21 60.71 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 -2.49 0.09 0.00 0.44 -2.24 -0.99 -2.94 114.28 106.15 3gqo n THR 111 Ca -0.07 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 3gqo n THR 111 Cb 0.38 1.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.93 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 1.10 0.96 0.21 3.38 0.00 -1.26 -4.70 105.19 104.87 3gqo n GLY 112 Ca 0.12 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.20 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 0.98 -0.33 -0.61 2.04 -1.98 -2.68 117.51 114.93 3gqo h ILE 113 Ca 0.00 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.73 3gqo h ILE 113 Cb 0.00 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 3gqo h ILE 113 CO 0.00 0.29 0.00 0.49 0.00 0.00 0.00 178.15 178.93 3gqo n PHE 114 N -3.83 0.43 0.23 1.37 3.01 -1.26 -4.45 117.46 112.95 3gqo n PHE 114 Ca -0.01 -0.21 0.11 0.00 1.01 0.00 0.00 57.45 58.34 3gqo n PHE 114 Cb 0.38 0.00 0.47 0.00 -0.01 0.00 0.00 39.48 40.32 3gqo n PHE 114 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3gqo h SER 115 N 4.24 0.00 -2.20 4.37 4.64 -1.35 0.19 113.55 123.44 3gqo h SER 115 Ca 0.00 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 3gqo h SER 115 Cb 0.93 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.03 3gqo h SER 115 CO 0.00 0.18 -0.31 0.61 -0.87 0.00 0.00 176.83 176.44 3gqo n GLY 116 N 0.22 -0.03 3.74 -0.77 0.00 -1.26 -3.27 105.19 103.81 3gqo n GLY 116 Ca 0.00 -0.34 -0.24 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.40 -2.61 -4.18 1.61 4.13 -1.26 -4.88 115.26 107.67 3gqo n ASN 117 Ca -0.10 -0.78 -0.21 0.00 1.68 0.00 0.00 54.58 55.17 3gqo n ASN 117 Cb 0.58 -4.14 -0.13 0.00 -1.54 0.00 0.00 39.78 34.55 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 -6.15 1.04 -0.09 3.52 -0.14 -1.20 -5.10 119.74 111.62 3gqo s LYS 118 Ca 0.23 -0.85 -0.30 0.00 -1.36 0.00 0.00 55.97 53.69 3gqo s LYS 118 Cb -0.11 -1.10 -0.03 0.00 -1.68 0.00 0.00 37.83 34.90 3gqo s LYS 118 CO 0.81 0.27 1.36 0.34 -0.76 0.00 0.00 175.35 177.36 3gqo s ASP 119 N -1.27 6.89 -0.05 2.83 -1.08 -1.26 -4.85 116.67 117.89 3gqo s ASP 119 Ca 0.03 1.91 0.12 0.00 -0.52 0.00 0.00 52.55 54.09 3gqo s ASP 119 Cb -0.08 -2.55 0.22 0.00 -1.46 0.00 0.00 42.92 39.05 3gqo s ASP 119 CO 0.02 -0.75 1.10 0.54 0.52 0.00 0.00 175.17 176.59 3gqo n ARG 120 N 6.17 0.39 0.02 4.34 1.74 -1.26 -4.88 116.66 123.18 3gqo n ARG 120 Ca 0.14 -1.81 -0.11 0.00 -0.77 0.00 0.00 57.85 55.30 3gqo n ARG 120 Cb 0.44 -0.65 -0.04 0.00 -1.02 0.00 0.00 32.46 31.20 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 0.40 -0.91 0.10 0.55 6.46 -1.94 0.71 115.31 120.69 3gqo h LEU 121 Ca -0.07 0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 3gqo h LEU 121 Cb 1.43 0.39 0.00 0.00 -0.73 0.00 0.00 40.66 41.75 3gqo h LEU 121 CO 0.03 -0.34 -0.05 0.74 -0.62 0.00 0.00 178.44 178.20 3gqo h THR 122 N -0.39 0.99 -0.27 1.05 2.02 -1.98 0.23 112.91 114.55 3gqo h THR 122 Ca 0.09 -0.32 0.06 0.00 0.77 0.00 0.00 66.41 67.01 3gqo h THR 122 Cb 0.52 1.19 -0.06 0.00 -1.74 0.00 0.00 68.15 68.06 3gqo h THR 122 CO -0.32 0.08 -0.15 -0.61 0.37 0.00 0.00 175.52 174.89 3gqo h GLN 123 N -0.28 -0.12 -0.18 6.66 4.15 -1.86 0.16 115.11 123.63 3gqo h GLN 123 Ca -0.01 0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.36 3gqo h GLN 123 Cb 0.24 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.95 3gqo h GLN 123 CO 0.02 -0.08 -0.09 1.03 -1.93 0.00 0.00 178.83 177.79 3gqo h SER 124 N -0.12 0.39 -0.63 -0.69 0.87 -0.77 -2.95 113.55 109.65 3gqo h SER 124 Ca 0.15 -0.41 0.05 0.00 -1.23 0.00 0.00 61.79 60.34 3gqo h SER 124 Cb 0.34 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.15 3gqo h SER 124 CO -0.35 0.71 0.36 0.25 -0.53 0.00 0.00 176.83 177.27 3gqo h LEU 125 N 0.06 0.54 -1.14 2.23 5.85 -0.19 -0.19 115.31 122.48 3gqo h LEU 125 Ca 0.04 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.79 3gqo h LEU 125 Cb 0.57 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 3gqo h LEU 125 CO 0.03 0.36 0.58 0.78 -0.34 0.00 0.00 178.44 179.85 3gqo h ASN 126 N 0.67 1.01 -0.10 1.25 4.21 -0.65 0.22 115.58 122.19 3gqo h ASN 126 Ca 0.27 -0.02 -0.18 0.00 1.21 0.00 0.00 56.30 57.58 3gqo h ASN 126 Cb 0.13 -0.25 -0.00 0.00 -1.12 0.00 0.00 38.32 37.08 3gqo h ASN 126 CO -0.15 0.72 -0.58 0.45 -1.29 0.00 0.00 177.43 176.58 3gqo h HIS 127 N 1.19 0.89 -0.34 1.19 3.86 -1.25 -1.47 115.15 119.22 3gqo h HIS 127 Ca 0.33 -0.33 0.04 0.00 -1.16 0.00 0.00 60.37 59.24 3gqo h HIS 127 Cb -0.12 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 28.15 3gqo h HIS 127 CO -0.00 1.11 0.13 1.25 0.86 0.00 0.00 177.93 181.28 3gqo h LEU 128 N 0.53 0.15 -0.15 2.43 6.46 0.10 -1.62 115.31 123.21 3gqo h LEU 128 Ca 0.00 0.03 -0.06 0.00 -0.12 0.00 0.00 57.88 57.74 3gqo h LEU 128 Cb 1.16 0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 41.11 3gqo h LEU 128 CO 0.12 0.12 -0.15 -0.07 -0.62 0.00 0.00 178.44 177.84 3gqo h LEU 129 N 0.28 0.39 -0.35 2.25 3.38 -0.57 0.42 115.31 121.11 3gqo h LEU 129 Ca 0.15 -0.48 0.08 0.00 0.09 0.00 0.00 57.88 57.72 3gqo h LEU 129 Cb 0.12 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.68 3gqo h LEU 129 CO -0.15 0.79 -0.17 0.74 0.09 0.00 0.00 178.44 179.74 3gqo h THR 130 N 0.00 0.48 0.04 0.22 2.02 -1.26 -0.33 112.91 114.09 3gqo h THR 130 Ca 0.02 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.20 3gqo h THR 130 Cb 0.67 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 3gqo h THR 130 CO 0.04 0.00 -0.02 0.00 0.37 0.00 0.00 175.52 175.91 3gqo h ALA 131 N 1.15 -0.05 0.00 6.16 0.00 -1.19 -3.23 119.26 122.10 3gqo h ALA 131 Ca 0.18 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3gqo h ALA 131 Cb 0.38 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3gqo h ALA 131 CO -0.42 -0.28 -0.00 -0.07 0.00 0.00 0.00 179.25 178.47 3gqo h LEU 132 N -0.55 0.00 -1.89 0.00 -0.00 -0.88 0.56 115.31 112.55 3gqo h LEU 132 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 3gqo h LEU 132 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.16 3gqo h LEU 132 CO 0.01 0.00 0.10 0.44 -0.00 0.00 0.00 178.44 178.99 3gqo h ASP 133 N 0.00 0.00 -0.34 -0.43 5.19 -1.07 -1.04 116.42 118.73 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 0.56 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.07 3gqo h ASP 133 CO 0.00 0.00 0.00 0.35 -3.12 0.00 0.00 179.24 176.47 3gqo n THR 134 N -2.56 0.83 -4.65 0.35 -2.24 0.19 -4.82 114.28 101.37 3gqo n THR 134 Ca -0.02 -0.57 -0.29 0.00 -2.27 0.00 0.00 64.05 60.90 3gqo n THR 134 Cb 0.15 0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.32 3gqo n THR 134 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3gqo n THR 135 N 0.48 0.00 0.70 4.28 -2.24 -0.40 -4.97 114.28 112.14 3gqo n THR 135 Ca 0.13 -2.26 0.07 0.00 -2.27 0.00 0.00 64.05 59.72 3gqo n THR 135 Cb 0.47 0.55 -0.06 0.00 -2.10 0.00 0.00 70.33 69.19 3gqo n THR 135 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3gqo n ASP 136 N -1.36 1.01 -4.77 3.42 -0.08 -1.26 -3.43 116.55 110.08 3gqo n ASP 136 Ca -0.16 -1.01 -0.36 0.00 -1.51 0.00 0.00 54.79 51.75 3gqo n ASP 136 Cb 0.60 0.82 0.01 0.00 2.34 0.00 0.00 41.12 44.89 3gqo n ASP 136 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3gqo s ALA 137 N -2.23 2.75 -0.50 -1.67 0.00 -1.26 -4.51 121.76 114.34 3gqo s ALA 137 Ca 0.08 0.91 -0.22 0.00 0.00 0.00 0.00 51.96 52.73 3gqo s ALA 137 Cb 0.12 -3.39 0.04 0.00 0.00 0.00 0.00 23.12 19.89 3gqo s ALA 137 CO 0.54 -0.83 0.77 -0.51 0.00 0.00 0.00 175.76 175.74 3gqo s ASP 138 N -1.60 6.31 -0.23 0.00 1.01 0.15 -1.84 116.67 120.47 3gqo s ASP 138 Ca 0.71 -0.49 -0.14 0.00 0.71 0.00 0.00 52.55 53.35 3gqo s ASP 138 Cb -0.27 -2.37 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 3gqo s ASP 138 CO 0.31 -1.01 0.30 -0.69 0.21 0.00 0.00 175.17 174.29 3gqo s VAL 139 N 3.26 5.25 -0.26 -1.27 1.01 0.39 -2.26 120.40 126.54 3gqo s VAL 139 Ca 0.24 0.48 -0.15 0.00 0.00 0.00 0.00 61.98 62.55 3gqo s VAL 139 Cb -0.15 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 3gqo s VAL 139 CO 0.17 0.26 0.35 0.00 0.00 0.00 0.00 175.10 175.89 3gqo s ALA 140 N 1.41 3.56 -0.36 5.51 0.00 0.00 -1.82 121.76 130.07 3gqo s ALA 140 Ca 0.14 -0.79 -0.14 0.00 0.00 0.00 0.00 51.96 51.17 3gqo s ALA 140 Cb -0.15 -2.66 -0.01 0.00 0.00 0.00 0.00 23.12 20.31 3gqo s ALA 140 CO 0.07 -0.56 0.27 0.42 0.00 0.00 0.00 175.76 175.97 3gqo s ILE 141 N 1.85 5.26 -0.04 0.00 1.01 -0.08 -0.47 121.20 128.74 3gqo s ILE 141 Ca 0.15 -0.29 -0.13 0.00 0.00 0.00 0.00 60.65 60.38 3gqo s ILE 141 Cb -0.15 -3.79 -0.05 0.00 0.01 0.00 0.00 42.46 38.48 3gqo s ILE 141 CO 0.09 -0.10 0.33 -0.31 0.00 0.00 0.00 174.94 174.95 3gqo s TYR 142 N 1.76 3.69 0.18 3.97 1.51 0.08 -1.01 117.35 127.52 3gqo s TYR 142 Ca 0.07 0.86 -0.13 0.00 -1.01 0.00 0.00 57.07 56.86 3gqo s TYR 142 Cb -0.18 -2.19 0.01 0.00 -0.11 0.00 0.00 41.96 39.49 3gqo s TYR 142 CO 0.11 0.67 0.40 0.00 -1.11 0.00 0.00 175.55 175.61 3gqo n ARG 144 N -0.28 3.24 -2.47 0.00 1.74 -1.26 -1.42 116.66 116.21 3gqo n ARG 144 Ca -0.08 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.67 3gqo n ARG 144 Cb 0.63 -1.01 -0.04 0.00 -1.02 0.00 0.00 32.46 31.02 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 -3.23 6.51 -0.04 0.55 2.15 -1.26 -4.85 116.67 116.50 3gqo s ASP 145 Ca -0.00 1.71 -0.14 0.00 0.43 0.00 0.00 52.55 54.55 3gqo s ASP 145 Cb 0.00 -2.53 -0.08 0.00 -0.30 0.00 0.00 42.92 40.01 3gqo s ASP 145 CO 0.02 -0.66 0.59 0.50 -0.17 0.00 0.00 175.17 175.45 3gqo h LYS 146 N 1.21 -0.48 -1.05 4.34 3.64 -2.00 -2.89 116.57 119.34 3gqo h LYS 146 Ca -0.48 0.03 0.27 0.00 -1.27 0.00 0.00 60.65 59.21 3gqo h LYS 146 Cb 1.20 0.11 -0.09 0.00 -0.41 0.00 0.00 32.23 33.03 3gqo h LYS 146 CO 0.60 -0.32 0.68 0.87 -2.27 0.00 0.00 179.45 179.00 3gqo h LYS 147 N -1.09 0.37 -0.40 1.90 1.57 -2.02 -0.68 116.57 116.23 3gqo h LYS 147 Ca -0.05 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.56 3gqo h LYS 147 Cb 0.38 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 3gqo h LYS 147 CO 0.08 0.24 -0.34 -1.49 -0.57 0.00 0.00 179.45 177.38 3gqo h TRP 148 N 0.38 1.08 -0.17 -1.35 4.06 -1.97 -3.00 115.95 114.97 3gqo h TRP 148 Ca 0.60 -0.30 0.03 0.00 2.06 0.00 0.00 58.89 61.28 3gqo h TRP 148 Cb 1.55 -0.24 -0.03 0.00 -1.00 0.00 0.00 29.16 29.44 3gqo h TRP 148 CO -0.00 1.11 -0.04 1.49 -3.56 0.00 0.00 178.44 177.44 3gqo h GLU 149 N 0.76 0.01 0.45 0.49 4.81 -0.89 0.66 114.58 120.87 3gqo h GLU 149 Ca 0.07 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 3gqo h GLU 149 Cb 0.91 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.29 3gqo h GLU 149 CO 0.08 0.01 -0.25 0.52 -0.73 0.00 0.00 179.01 178.64 3gqo h MET 150 N 0.01 -0.63 -0.96 1.92 2.86 -1.60 0.58 114.93 117.10 3gqo h MET 150 Ca 0.08 0.04 0.16 0.00 -2.06 0.00 0.00 59.70 57.93 3gqo h MET 150 Cb 0.12 0.14 -0.09 0.00 0.06 0.00 0.00 31.60 31.84 3gqo h MET 150 CO -0.17 -0.42 0.61 1.15 1.06 0.00 0.00 176.91 179.14 3gqo h THR 151 N -0.65 0.80 -0.09 2.22 2.02 -1.34 0.12 112.91 115.98 3gqo h THR 151 Ca -0.06 -0.26 -0.04 0.00 0.77 0.00 0.00 66.41 66.82 3gqo h THR 151 Cb 0.52 -0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.89 3gqo h THR 151 CO 0.08 0.14 -0.10 -0.07 0.37 0.00 0.00 175.52 175.93 3gqo h LEU 152 N 0.77 0.25 -1.49 2.58 3.38 0.98 -2.59 115.31 119.19 3gqo h LEU 152 Ca 0.51 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3gqo h LEU 152 Cb 0.77 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 3gqo h LEU 152 CO -0.28 0.70 0.20 0.11 0.09 0.00 0.00 178.44 179.26 3gqo h LYS 153 N -0.19 0.55 -0.18 1.13 1.57 0.10 -1.60 116.57 117.95 3gqo h LYS 153 Ca 0.01 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.62 3gqo h LYS 153 Cb 0.63 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 3gqo h LYS 153 CO 0.03 0.42 -0.40 1.49 -0.57 0.00 0.00 179.45 180.42 3gqo h GLU 154 N 0.55 0.41 0.05 3.15 4.81 -0.81 -2.66 114.58 120.09 3gqo h GLU 154 Ca 0.14 -0.20 -0.24 0.00 -0.13 0.00 0.00 59.36 58.93 3gqo h GLU 154 Cb 0.04 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.43 3gqo h GLU 154 CO -0.02 0.75 -1.05 0.00 -0.73 0.00 0.00 179.01 177.96 3gqo h ALA 155 N 1.23 0.27 -0.51 2.92 0.00 -0.98 -2.86 119.26 119.33 3gqo h ALA 155 Ca 0.03 -0.77 -0.09 0.00 0.00 0.00 0.00 54.91 54.09 3gqo h ALA 155 Cb 0.85 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3gqo h ALA 155 CO 0.07 0.86 -0.03 0.28 0.00 0.00 0.00 179.25 180.43 3gqo h VAL 156 N 0.17 1.26 -0.15 0.00 2.07 -1.32 -2.92 116.25 115.36 3gqo h VAL 156 Ca -0.10 -1.11 -0.11 0.00 0.82 0.00 0.00 66.70 66.20 3gqo h VAL 156 Cb 1.71 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 3gqo h VAL 156 CO 0.18 0.39 -0.40 0.00 0.02 0.00 0.00 177.57 177.76 3gqo h ALA 157 N 1.14 1.03 -0.32 1.67 0.00 -1.49 -3.13 119.26 118.16 3gqo h ALA 157 Ca 0.15 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3gqo h ALA 157 Cb 0.53 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3gqo h ALA 157 CO 0.03 0.61 0.20 -0.09 0.00 0.00 0.00 179.25 180.00 3gqo h ARG 158 N 0.29 0.43 0.00 0.00 9.65 -1.31 -3.51 114.38 119.92 3gqo h ARG 158 Ca 0.03 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 3gqo h ARG 158 Cb 0.84 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.32 3gqo h ARG 158 CO 0.07 0.31 0.00 0.54 2.80 0.00 0.00 179.97 183.68