#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ube h PRO 6 N 0.00 0.34 -0.84 0.00 0.13 -2.03 -3.33 132.00 126.26 1ube h PRO 6 Ca 0.00 -0.24 0.27 0.00 -0.87 0.00 0.00 66.00 65.16 1ube h PRO 6 Cb 0.00 0.04 -0.15 0.00 0.13 0.00 0.00 31.00 31.02 1ube h PRO 6 CO 0.00 0.87 0.17 -0.40 -0.23 0.00 0.00 178.00 178.40 1ube n ASP 7 N -4.47 0.04 0.00 1.44 5.68 -1.26 0.21 116.55 118.19 1ube n ASP 7 Ca -0.08 1.42 0.00 0.00 -0.50 0.00 0.00 54.79 55.63 1ube n ASP 7 Cb 0.46 -0.58 0.00 0.00 -1.14 0.00 0.00 41.12 39.87 1ube n ASP 7 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1ube n ARG 8 N -5.10 0.00 -0.16 0.11 5.12 -1.25 -2.35 116.66 113.02 1ube n ARG 8 Ca 0.24 0.09 0.21 0.00 -1.93 0.00 0.00 57.85 56.45 1ube n ARG 8 Cb 0.80 -0.80 0.60 0.00 -1.16 0.00 0.00 32.46 31.89 1ube n ARG 8 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1ube h GLU 9 N 0.00 0.23 0.00 5.56 5.08 -1.52 0.19 114.58 124.12 1ube h GLU 9 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1ube h GLU 9 Cb 0.00 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1ube h GLU 9 CO 0.00 0.15 0.00 1.17 -1.00 0.00 0.00 179.01 179.33 1ube n LYS 10 N -4.42 0.00 -0.05 2.33 4.81 0.56 -1.41 118.16 119.98 1ube n LYS 10 Ca 0.16 0.44 -0.06 0.00 -0.87 0.00 0.00 58.31 57.98 1ube n LYS 10 Cb 0.70 -1.50 -0.08 0.00 0.02 0.00 0.00 35.03 34.18 1ube n LYS 10 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ube n ALA 11 N -1.46 1.75 -0.15 3.14 0.00 0.03 -4.12 120.51 119.69 1ube n ALA 11 Ca 0.00 -0.64 -0.04 0.00 0.00 0.00 0.00 53.44 52.76 1ube n ALA 11 Cb 0.02 0.07 0.05 0.00 0.00 0.00 0.00 19.45 19.58 1ube n ALA 11 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ube h LEU 12 N 0.00 0.21 -1.11 0.00 5.85 -0.89 0.61 115.31 119.97 1ube h LEU 12 Ca -0.27 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.42 1ube h LEU 12 Cb 1.59 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.63 1ube h LEU 12 CO 0.00 0.15 -0.35 -0.33 -0.34 0.00 0.00 178.44 177.58 1ube h GLU 13 N 0.37 0.00 -0.14 1.25 5.08 -1.64 1.59 114.58 121.08 1ube h GLU 13 Ca 0.22 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.53 1ube h GLU 13 Cb 0.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1ube h GLU 13 CO -0.21 0.35 -0.10 -0.07 -1.00 0.00 0.00 179.01 177.97 1ube h LEU 14 N 0.00 0.33 0.05 1.33 3.38 -1.39 0.11 115.31 119.12 1ube h LEU 14 Ca -0.00 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 57.51 1ube h LEU 14 Cb 0.79 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1ube h LEU 14 CO 0.04 0.71 -0.02 0.00 0.09 0.00 0.00 178.44 179.27 1ube h ALA 15 N 0.63 -0.84 -1.55 1.53 0.00 -0.66 -2.04 119.26 116.32 1ube h ALA 15 Ca 0.03 -0.01 0.49 0.00 0.00 0.00 0.00 54.91 55.42 1ube h ALA 15 Cb 0.61 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.31 1ube h ALA 15 CO 0.03 -0.84 1.05 1.98 0.00 0.00 0.00 179.25 181.47 1ube h MET 16 N -0.07 0.02 -0.08 0.00 -1.53 0.22 0.69 114.93 114.19 1ube h MET 16 Ca -0.01 -0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.23 1ube h MET 16 Cb 0.05 -0.01 -0.00 0.00 -0.55 0.00 0.00 31.60 31.09 1ube h MET 16 CO 0.01 0.02 -0.03 0.00 0.14 0.00 0.00 176.91 177.05 1ube h ALA 17 N 1.41 0.10 0.00 0.39 0.00 -0.61 -2.97 119.26 117.58 1ube h ALA 17 Ca 0.88 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.54 1ube h ALA 17 Cb 3.05 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 20.81 1ube h ALA 17 CO -0.30 -0.16 -0.12 1.96 0.00 0.00 0.00 179.25 180.64 1ube h GLN 18 N -0.20 0.00 0.03 0.00 4.20 0.11 -2.92 115.11 116.33 1ube h GLN 18 Ca 0.02 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 1ube h GLN 18 Cb 0.44 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1ube h GLN 18 CO 0.01 0.12 -0.02 0.82 -0.67 0.00 0.00 178.83 179.09 1ube h ILE 19 N 0.00 1.01 0.19 2.54 2.04 -1.00 -0.51 117.51 121.78 1ube h ILE 19 Ca -0.00 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 65.73 1ube h ILE 19 Cb 0.61 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 1ube h ILE 19 CO 0.02 0.04 -0.37 0.44 0.00 0.00 0.00 178.15 178.27 1ube h ASP 20 N -0.10 -1.06 -0.61 1.72 3.45 -1.42 0.99 116.42 119.38 1ube h ASP 20 Ca -0.00 0.11 0.06 0.00 0.43 0.00 0.00 57.03 57.63 1ube h ASP 20 Cb 0.09 0.39 -0.09 0.00 -0.56 0.00 0.00 39.33 39.16 1ube h ASP 20 CO 0.01 -0.47 -0.50 0.11 -1.57 0.00 0.00 179.24 176.82 1ube h LYS 21 N -0.64 -0.17 0.00 3.56 1.57 -1.38 3.54 116.57 123.05 1ube h LYS 21 Ca 0.01 0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 1ube h LYS 21 Cb 0.65 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 1ube h LYS 21 CO -0.18 -0.11 -0.31 -0.91 -0.57 0.00 0.00 179.45 177.37 1ube h ASN 22 N -0.18 0.00 0.00 0.86 2.35 -0.89 -3.37 115.58 114.36 1ube h ASN 22 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1ube h ASN 22 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 1ube h ASN 22 CO -0.67 0.31 -0.84 0.49 -1.65 0.00 0.00 177.43 175.08 1ube n PHE 23 N -4.10 0.00 -0.61 1.19 3.72 0.32 -5.10 117.46 112.88 1ube n PHE 23 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1ube n PHE 23 Cb 0.36 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.90 1ube n PHE 23 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ube n GLY 24 N 2.19 0.16 0.00 1.37 0.00 1.17 -4.94 105.19 105.13 1ube n GLY 24 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1ube n GLY 24 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ube n LYS 25 N 0.00 0.00 -0.40 1.61 0.00 -1.26 -3.84 118.16 114.26 1ube n LYS 25 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 1ube n LYS 25 Cb 0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 35.03 34.85 1ube n LYS 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ube n GLY 26 N 2.32 2.26 0.20 2.58 0.00 -1.22 -4.10 105.19 107.23 1ube n GLY 26 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1ube n GLY 26 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ube h SER 27 N 1.16 0.80 -3.13 1.61 0.02 -1.87 -3.43 113.55 108.71 1ube h SER 27 Ca 0.00 -0.55 -0.51 0.00 -0.84 0.00 0.00 61.79 59.89 1ube h SER 27 Cb 0.91 -0.24 -0.40 0.00 0.14 0.00 0.00 62.40 62.81 1ube h SER 27 CO 0.00 1.34 -0.76 -0.69 -1.14 0.00 0.00 176.83 175.58 1ube s VAL 28 N -3.60 0.28 0.43 2.27 1.01 -1.26 -5.08 120.40 114.45 1ube s VAL 28 Ca -0.09 -0.52 0.06 0.00 0.00 0.00 0.00 61.98 61.43 1ube s VAL 28 Cb 0.09 -0.93 -0.06 0.00 0.00 0.00 0.00 36.38 35.48 1ube s VAL 28 CO 0.89 -0.34 0.07 -0.04 0.00 0.00 0.00 175.10 175.68 1ube s MET 29 N 1.96 2.08 -0.36 2.72 -1.94 -1.26 -5.03 119.30 117.46 1ube s MET 29 Ca 0.02 -2.08 -0.04 0.00 -1.71 0.00 0.00 55.69 51.88 1ube s MET 29 Cb -0.17 -1.73 0.07 0.00 2.01 0.00 0.00 34.83 35.02 1ube s MET 29 CO -0.13 -0.14 0.12 1.03 -0.01 0.00 0.00 175.02 175.89 1ube s ARG 30 N -3.81 2.36 0.00 2.03 1.81 -1.26 -4.96 118.95 115.12 1ube s ARG 30 Ca 0.32 -1.45 0.00 0.00 -1.72 0.00 0.00 55.73 52.88 1ube s ARG 30 Cb 0.07 -3.45 0.00 0.00 -0.45 0.00 0.00 34.95 31.12 1ube s ARG 30 CO 0.17 -0.82 0.56 1.28 -0.68 0.00 0.00 175.30 175.81 1ube n LEU 31 N 4.70 0.00 -0.55 2.53 4.77 -1.26 0.65 117.00 127.83 1ube n LEU 31 Ca -0.09 0.15 0.09 0.00 -0.03 0.00 0.00 56.01 56.13 1ube n LEU 31 Cb 0.43 -0.15 0.03 0.00 -2.33 0.00 0.00 43.42 41.40 1ube n LEU 31 CO 0.31 -0.15 0.39 0.61 -1.33 0.00 0.00 177.39 177.23 1ube n GLY 32 N -1.06 0.18 3.78 -0.72 0.00 -1.26 -4.93 105.19 101.17 1ube n GLY 32 Ca 0.00 -0.52 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 1ube n GLY 32 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ube s GLU 33 N -1.81 4.17 0.00 1.61 2.02 0.21 -4.92 118.70 119.98 1ube s GLU 33 Ca 0.18 1.63 0.25 0.00 0.02 0.00 0.00 54.97 57.05 1ube s GLU 33 Cb 0.15 -2.64 0.45 0.00 0.10 0.00 0.00 34.13 32.19 1ube s GLU 33 CO 0.35 -0.17 1.38 0.39 0.02 0.00 0.00 175.26 177.23 1ube n GLU 34 N 0.08 1.03 -0.11 1.61 -0.58 -1.26 -4.77 120.64 116.64 1ube n GLU 34 Ca 0.04 -0.73 -0.04 0.00 -0.42 0.00 0.00 57.16 56.02 1ube n GLU 34 Cb 0.48 -1.48 -0.00 0.00 -0.57 0.00 0.00 31.44 29.87 1ube n GLU 34 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1ube n VAL 35 N -0.34 0.06 -2.96 2.62 3.14 -1.26 -4.85 118.33 114.74 1ube n VAL 35 Ca 0.11 -0.04 0.08 0.00 -2.96 0.00 0.00 64.34 61.53 1ube n VAL 35 Cb 0.40 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.16 1ube n VAL 35 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 1ube n ARG 36 N 0.11 -1.21 0.00 1.45 0.63 -1.26 -4.98 116.66 111.41 1ube n ARG 36 Ca 0.01 0.80 0.00 0.00 -0.92 0.00 0.00 57.85 57.74 1ube n ARG 36 Cb 0.03 -1.47 0.00 0.00 0.45 0.00 0.00 32.46 31.47 1ube n ARG 36 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1ube n GLN 37 N -2.64 0.00 -2.76 -0.14 -0.06 -1.26 -5.12 117.38 105.40 1ube n GLN 37 Ca 0.00 0.00 -0.32 0.00 -2.00 0.00 0.00 57.00 54.69 1ube n GLN 37 Cb 0.27 0.00 -0.05 0.00 -4.06 0.00 0.00 30.24 26.41 1ube n GLN 37 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 1ube s PRO 38 N 0.00 3.96 -0.22 3.69 0.04 -1.26 -4.97 135.00 136.24 1ube s PRO 38 Ca 0.00 0.79 0.06 0.00 0.04 0.00 0.00 61.00 61.89 1ube s PRO 38 Cb 0.00 -2.28 0.50 0.00 0.04 0.00 0.00 34.50 32.76 1ube s PRO 38 CO 0.00 -0.07 1.45 0.44 0.04 0.00 0.00 177.00 178.86 1ube n ILE 39 N -1.07 2.11 -3.71 0.56 -6.64 -1.26 -4.76 119.36 104.59 1ube n ILE 39 Ca 0.05 -1.08 -0.19 0.00 -1.77 0.00 0.00 62.75 59.76 1ube n ILE 39 Cb 0.54 -0.49 -0.18 0.00 -1.44 0.00 0.00 39.64 38.07 1ube n ILE 39 CO 0.00 0.00 0.00 -0.94 -1.77 0.00 0.00 176.55 173.84 1ube s SER 40 N -0.51 0.96 -0.22 7.28 1.04 -1.26 -5.13 113.70 115.86 1ube s SER 40 Ca 0.37 0.05 -0.29 0.00 0.48 0.00 0.00 55.95 56.55 1ube s SER 40 Cb 0.29 -0.16 0.16 0.00 0.10 0.00 0.00 66.02 66.41 1ube s SER 40 CO 0.09 -0.21 1.16 0.54 0.98 0.00 0.00 173.24 175.80 1ube s VAL 41 N 1.90 0.00 -0.20 5.02 0.11 -1.26 -4.17 120.40 121.79 1ube s VAL 41 Ca 0.02 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.06 1ube s VAL 41 Cb -0.12 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.74 1ube s VAL 41 CO -0.03 0.00 -0.13 -0.63 -3.33 0.00 0.00 175.10 170.98 1ube s ILE 42 N -1.01 2.65 1.10 7.04 1.01 -0.63 -4.88 121.20 126.48 1ube s ILE 42 Ca 0.03 -0.77 -0.17 0.00 0.00 0.00 0.00 60.65 59.75 1ube s ILE 42 Cb -0.01 -2.18 0.12 0.00 0.01 0.00 0.00 42.46 40.40 1ube s ILE 42 CO -0.03 0.46 0.20 -2.65 0.00 0.00 0.00 174.94 172.92 1ube n PRO 43 N 4.69 -1.50 0.00 2.79 -0.02 -1.26 -1.15 135.00 138.56 1ube n PRO 43 Ca -0.19 -0.41 0.00 0.00 -2.02 0.00 0.00 63.50 60.87 1ube n PRO 43 Cb 0.50 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 1ube n PRO 43 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1ube n THR 44 N -4.37 0.43 -0.81 3.45 -2.24 -1.26 -4.55 114.28 104.93 1ube n THR 44 Ca 0.02 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1ube n THR 44 Cb 0.60 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 1ube n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ube n GLY 45 N -0.22 0.82 2.66 3.38 0.00 -1.26 -4.54 105.19 106.04 1ube n GLY 45 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1ube n GLY 45 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ube s SER 46 N -2.73 3.81 0.43 1.61 0.15 -1.26 -4.71 113.70 111.01 1ube s SER 46 Ca 0.00 -1.63 0.17 0.00 0.70 0.00 0.00 55.95 55.20 1ube s SER 46 Cb 0.00 -0.70 1.09 0.00 -1.71 0.00 0.00 66.02 64.70 1ube s SER 46 CO 0.00 -0.41 1.88 -0.29 1.20 0.00 0.00 173.24 175.62 1ube h ILE 47 N 6.32 0.71 -0.47 6.45 6.09 -1.93 0.31 117.51 134.99 1ube h ILE 47 Ca -0.14 -0.13 0.03 0.00 -1.37 0.00 0.00 64.86 63.24 1ube h ILE 47 Cb 1.01 0.29 -0.03 0.00 0.47 0.00 0.00 36.82 38.55 1ube h ILE 47 CO 0.45 0.07 0.27 -1.28 -3.07 0.00 0.00 178.15 174.59 1ube h SER 48 N 0.39 0.42 1.16 2.19 0.87 -1.89 -2.11 113.55 114.58 1ube h SER 48 Ca 0.43 0.01 -0.17 0.00 -1.23 0.00 0.00 61.79 60.83 1ube h SER 48 Cb 1.08 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.93 1ube h SER 48 CO -0.15 0.30 -0.81 0.25 -0.53 0.00 0.00 176.83 175.89 1ube h LEU 49 N 0.54 0.00 -0.43 2.23 5.85 -0.86 -3.06 115.31 119.59 1ube h LEU 49 Ca 0.19 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.86 1ube h LEU 49 Cb 0.04 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1ube h LEU 49 CO -0.10 0.81 0.05 0.44 -0.34 0.00 0.00 178.44 179.31 1ube h ASP 50 N 0.00 0.70 1.01 1.25 3.32 -0.36 0.19 116.42 122.52 1ube h ASP 50 Ca -0.01 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1ube h ASP 50 Cb 1.61 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.98 1ube h ASP 50 CO 0.11 0.79 0.00 1.33 -1.72 0.00 0.00 179.24 179.75 1ube n VAL 51 N -4.47 0.70 0.08 -1.35 0.24 -0.83 -1.64 118.33 111.06 1ube n VAL 51 Ca -0.00 0.02 -0.17 0.00 -2.04 0.00 0.00 64.34 62.16 1ube n VAL 51 Cb 0.26 -0.89 -0.14 0.00 -1.47 0.00 0.00 33.84 31.59 1ube n VAL 51 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ube h ALA 52 N 2.43 0.19 0.00 2.33 0.00 -1.25 -3.14 119.26 119.83 1ube h ALA 52 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 53.89 1ube h ALA 52 Cb 0.50 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1ube h ALA 52 CO 0.00 1.06 0.00 -0.07 0.00 0.00 0.00 179.25 180.24 1ube h LEU 53 N 0.07 0.00 0.00 0.00 3.38 0.08 -3.44 115.31 115.40 1ube h LEU 53 Ca -0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1ube h LEU 53 Cb 2.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.75 1ube h LEU 53 CO 0.18 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.32 1ube n GLY 54 N 0.03 1.19 0.00 0.83 0.00 -1.07 -4.72 105.19 101.45 1ube n GLY 54 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1ube n GLY 54 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ube n ILE 55 N -2.00 0.04 -3.01 -0.61 -5.35 -1.25 -4.97 119.36 102.21 1ube n ILE 55 Ca 0.00 -0.04 -0.12 0.00 -0.27 0.00 0.00 62.75 62.32 1ube n ILE 55 Cb 0.00 1.01 0.05 0.00 -1.74 0.00 0.00 39.64 38.95 1ube n ILE 55 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ube n GLY 56 N -0.02 0.07 0.00 3.28 0.00 -0.65 -4.91 105.19 102.95 1ube n GLY 56 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1ube n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ube n GLY 57 N -1.26 2.14 3.69 -0.02 0.00 -1.22 -4.29 105.19 104.23 1ube n GLY 57 Ca -0.05 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.60 1ube n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ube s LEU 58 N 0.00 4.29 0.32 0.99 1.43 -0.30 -4.60 118.68 120.82 1ube s LEU 58 Ca 0.00 1.98 -0.29 0.00 -1.03 0.00 0.00 54.13 54.78 1ube s LEU 58 Cb 0.00 -3.56 -0.11 0.00 0.03 0.00 0.00 46.19 42.55 1ube s LEU 58 CO 0.00 -0.67 1.56 -0.81 0.23 0.00 0.00 176.35 176.65 1ube n PRO 59 N 5.41 2.68 -3.23 1.29 -0.04 -1.26 -1.60 135.00 138.24 1ube n PRO 59 Ca 0.12 0.95 -0.39 0.00 -0.04 0.00 0.00 63.50 64.14 1ube n PRO 59 Cb 0.45 -2.71 -0.06 0.00 -0.04 0.00 0.00 33.50 31.14 1ube n PRO 59 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1ube s ARG 60 N -1.00 4.26 0.00 0.54 0.52 -1.26 -3.78 118.95 118.23 1ube s ARG 60 Ca 0.61 0.79 0.00 0.00 -0.52 0.00 0.00 55.73 56.61 1ube s ARG 60 Cb -0.49 -3.25 0.00 0.00 0.52 0.00 0.00 34.95 31.73 1ube s ARG 60 CO 0.53 0.61 0.00 0.41 0.02 0.00 0.00 175.30 176.87 1ube n GLY 61 N 1.76 2.00 3.99 -3.53 0.00 -1.19 -4.81 105.19 103.41 1ube n GLY 61 Ca -0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.73 1ube n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ube s ARG 62 N -0.94 2.64 -0.14 1.61 1.81 -1.25 -3.68 118.95 119.01 1ube s ARG 62 Ca 0.00 -0.99 -0.05 0.00 -1.72 0.00 0.00 55.73 52.96 1ube s ARG 62 Cb 0.00 -2.60 -0.04 0.00 -0.45 0.00 0.00 34.95 31.86 1ube s ARG 62 CO 0.00 -0.54 0.05 0.54 -0.68 0.00 0.00 175.30 174.66 1ube s VAL 63 N -2.60 4.68 -0.03 3.52 0.11 -1.26 -1.48 120.40 123.34 1ube s VAL 63 Ca 0.57 -0.09 0.07 0.00 -2.93 0.00 0.00 61.98 59.60 1ube s VAL 63 Cb -0.10 -3.05 -0.02 0.00 -1.53 0.00 0.00 36.38 31.68 1ube s VAL 63 CO 0.36 0.53 -0.24 -0.63 -3.33 0.00 0.00 175.10 171.79 1ube s ILE 64 N -0.19 2.20 -0.11 7.04 1.01 0.44 -1.72 121.20 129.87 1ube s ILE 64 Ca 0.07 -1.04 0.03 0.00 0.00 0.00 0.00 60.65 59.70 1ube s ILE 64 Cb -0.12 -1.78 -0.00 0.00 0.01 0.00 0.00 42.46 40.56 1ube s ILE 64 CO 0.02 0.58 -0.21 -0.70 0.00 0.00 0.00 174.94 174.62 1ube s GLU 65 N -0.53 3.14 -0.24 2.79 2.12 -0.66 -1.04 118.70 124.27 1ube s GLU 65 Ca 0.07 -0.83 -0.00 0.00 0.36 0.00 0.00 54.97 54.57 1ube s GLU 65 Cb -0.11 -2.39 0.07 0.00 0.26 0.00 0.00 34.13 31.96 1ube s GLU 65 CO 0.00 0.18 0.01 0.42 -0.54 0.00 0.00 175.26 175.33 1ube s ILE 66 N 0.37 1.15 0.37 -3.70 1.01 -0.93 0.59 121.20 120.06 1ube s ILE 66 Ca -0.16 -1.14 0.08 0.00 0.00 0.00 0.00 60.65 59.44 1ube s ILE 66 Cb -0.17 -1.60 -0.07 0.00 0.01 0.00 0.00 42.46 40.63 1ube s ILE 66 CO 0.08 -0.28 -0.02 -0.72 0.00 0.00 0.00 174.94 174.00 1ube s TYR 67 N 1.54 2.49 0.00 3.97 -0.85 0.22 -2.79 117.35 121.93 1ube s TYR 67 Ca -0.00 -0.54 0.00 0.00 -0.52 0.00 0.00 57.07 56.01 1ube s TYR 67 Cb -0.18 -1.57 0.00 0.00 0.38 0.00 0.00 41.96 40.59 1ube s TYR 67 CO -0.11 0.49 0.00 0.41 -1.52 0.00 0.00 175.55 174.82 1ube n GLY 68 N -0.92 3.43 3.59 5.49 0.00 -1.25 -0.09 105.19 115.45 1ube n GLY 68 Ca -0.04 -0.91 -0.38 0.00 0.00 0.00 0.00 46.02 44.69 1ube n GLY 68 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ube n PRO 69 N -1.15 0.90 -0.81 1.61 -0.02 -1.26 -4.43 135.00 129.85 1ube n PRO 69 Ca 0.00 0.34 -0.34 0.00 -2.02 0.00 0.00 63.50 61.48 1ube n PRO 69 Cb 0.00 -2.07 0.12 0.00 -0.02 0.00 0.00 33.50 31.52 1ube n PRO 69 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ube n GLU 70 N -0.69 -0.78 -4.42 -0.52 1.02 -1.26 -3.49 120.64 110.51 1ube n GLU 70 Ca 0.13 -0.21 -0.40 0.00 -0.02 0.00 0.00 57.16 56.65 1ube n GLU 70 Cb 0.46 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.32 1ube n GLU 70 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1ube n SER 71 N 0.11 -2.44 -0.28 1.62 7.64 -1.26 -4.85 113.62 114.16 1ube n SER 71 Ca 0.01 -1.15 0.03 0.00 1.01 0.00 0.00 58.87 58.77 1ube n SER 71 Cb 0.62 -2.08 0.06 0.00 -1.01 0.00 0.00 64.21 61.81 1ube n SER 71 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ube n SER 72 N -2.54 2.13 0.00 6.43 3.41 -1.23 -4.95 113.62 116.88 1ube n SER 72 Ca 0.10 -1.75 0.00 0.00 -0.26 0.00 0.00 58.87 56.96 1ube n SER 72 Cb 0.47 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 1ube n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ube n GLY 73 N 0.09 2.40 0.00 5.00 0.00 -1.26 -4.56 105.19 106.87 1ube n GLY 73 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1ube n GLY 73 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ube n LYS 74 N -0.59 0.00 -0.19 1.61 4.01 -1.26 -0.80 118.16 120.93 1ube n LYS 74 Ca 0.00 0.84 0.16 0.00 -0.51 0.00 0.00 58.31 58.80 1ube n LYS 74 Cb 0.00 -1.31 0.49 0.00 -0.51 0.00 0.00 35.03 33.70 1ube n LYS 74 CO 0.00 0.00 0.00 1.79 -1.11 0.00 0.00 177.40 178.08 1ube h THR 75 N 0.00 0.77 -0.74 -0.18 1.35 -1.96 0.58 112.91 112.73 1ube h THR 75 Ca 0.00 -0.15 0.01 0.00 -0.55 0.00 0.00 66.41 65.72 1ube h THR 75 Cb 0.00 0.30 -0.04 0.00 -1.73 0.00 0.00 68.15 66.68 1ube h THR 75 CO 0.00 0.08 0.48 0.74 -0.25 0.00 0.00 175.52 176.57 1ube h THR 76 N 0.44 1.17 -0.71 6.82 2.02 -1.39 0.50 112.91 121.75 1ube h THR 76 Ca 0.40 -0.34 -0.06 0.00 0.77 0.00 0.00 66.41 67.18 1ube h THR 76 Cb 0.91 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 1ube h THR 76 CO -0.14 0.18 0.21 0.58 0.37 0.00 0.00 175.52 176.72 1ube h VAL 77 N 0.98 1.26 -0.39 3.16 2.07 0.42 -2.48 116.25 121.27 1ube h VAL 77 Ca 0.28 -0.92 -0.04 0.00 0.82 0.00 0.00 66.70 66.83 1ube h VAL 77 Cb -0.09 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 1ube h VAL 77 CO -0.07 0.36 0.08 0.00 0.02 0.00 0.00 177.57 177.96 1ube h ALA 78 N 1.10 0.51 -0.82 1.67 0.00 -0.02 0.68 119.26 122.39 1ube h ALA 78 Ca 0.23 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1ube h ALA 78 Cb 0.33 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1ube h ALA 78 CO -0.00 0.20 0.44 -0.07 0.00 0.00 0.00 179.25 179.82 1ube h LEU 79 N 0.48 1.03 0.17 0.00 3.38 0.04 0.57 115.31 120.99 1ube h LEU 79 Ca 0.12 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1ube h LEU 79 Cb 0.34 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1ube h LEU 79 CO 0.00 0.84 -0.08 0.45 0.09 0.00 0.00 178.44 179.75 1ube h HIS 80 N 1.15 -0.21 -1.00 1.13 3.86 -1.25 0.63 115.15 119.47 1ube h HIS 80 Ca 0.29 -0.00 0.17 0.00 -1.16 0.00 0.00 60.37 59.66 1ube h HIS 80 Cb 0.04 0.07 -0.17 0.00 1.06 0.00 0.00 27.41 28.41 1ube h HIS 80 CO 0.01 -0.07 -0.34 0.00 0.86 0.00 0.00 177.93 178.39 1ube n ALA 81 N -2.23 0.01 0.36 2.45 0.00 0.22 0.09 120.51 121.41 1ube n ALA 81 Ca -0.09 1.03 -0.15 0.00 0.00 0.00 0.00 53.44 54.24 1ube n ALA 81 Cb 0.14 -0.53 -0.07 0.00 0.00 0.00 0.00 19.45 18.99 1ube n ALA 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ube h VAL 82 N 0.00 0.00 -0.64 0.00 2.07 -0.34 -2.47 116.25 114.87 1ube h VAL 82 Ca 0.40 0.00 0.13 0.00 0.82 0.00 0.00 66.70 68.05 1ube h VAL 82 Cb 0.65 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.29 1ube h VAL 82 CO -1.00 0.00 -0.16 0.00 0.02 0.00 0.00 177.57 176.43 1ube n ALA 83 N -2.52 0.16 0.04 1.67 0.00 0.22 -1.37 120.51 118.70 1ube n ALA 83 Ca -0.12 0.71 -0.02 0.00 0.00 0.00 0.00 53.44 54.01 1ube n ALA 83 Cb 0.38 -0.43 -0.01 0.00 0.00 0.00 0.00 19.45 19.40 1ube n ALA 83 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1ube h ASN 84 N 0.00 -0.10 0.00 0.00 2.35 -0.57 -1.60 115.58 115.67 1ube h ASN 84 Ca 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 1ube h ASN 84 Cb 0.48 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.87 1ube h ASN 84 CO -0.66 -0.05 0.07 0.00 -1.65 0.00 0.00 177.43 175.14 1ube n ALA 85 N -2.08 0.91 -0.10 -0.83 0.00 -0.82 -0.70 120.51 116.88 1ube n ALA 85 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.20 1ube n ALA 85 Cb 0.04 -0.79 -0.12 0.00 0.00 0.00 0.00 19.45 18.58 1ube n ALA 85 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1ube n GLN 86 N -1.24 0.65 0.18 0.00 7.27 -0.47 -3.17 117.38 120.59 1ube n GLN 86 Ca 0.00 0.25 0.13 0.00 0.07 0.00 0.00 57.00 57.45 1ube n GLN 86 Cb 0.07 -1.57 0.64 0.00 2.41 0.00 0.00 30.24 31.78 1ube n GLN 86 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ube h ALA 87 N -0.31 1.00 -0.99 1.69 0.00 0.13 -2.42 119.26 118.36 1ube h ALA 87 Ca -0.56 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 53.68 1ube h ALA 87 Cb 1.79 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 19.26 1ube h ALA 87 CO -0.16 0.00 0.54 0.00 0.00 0.00 0.00 179.25 179.64 1ube n ALA 88 N -1.83 6.09 0.00 0.00 0.00 -0.78 -4.97 120.51 119.02 1ube n ALA 88 Ca -0.01 -3.72 0.00 0.00 0.00 0.00 0.00 53.44 49.71 1ube n ALA 88 Cb 0.11 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.04 1ube n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ube n GLY 89 N -0.78 1.96 3.54 0.00 0.00 -0.91 -4.98 105.19 104.01 1ube n GLY 89 Ca 0.56 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 46.06 1ube n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ube n GLY 90 N 0.00 -1.17 3.66 -0.02 0.00 -1.19 -4.93 105.19 101.55 1ube n GLY 90 Ca 0.00 -0.65 -0.26 0.00 0.00 0.00 0.00 46.02 45.11 1ube n GLY 90 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ube s ILE 91 N -2.36 3.68 0.12 -0.61 1.01 -1.26 -3.92 121.20 117.87 1ube s ILE 91 Ca 0.63 -1.50 0.09 0.00 0.00 0.00 0.00 60.65 59.88 1ube s ILE 91 Cb -0.25 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 1ube s ILE 91 CO 0.61 -0.15 -0.18 0.00 0.00 0.00 0.00 174.94 175.22 1ube s ALA 92 N -1.82 2.68 -0.02 9.38 0.00 -1.26 -1.38 121.76 129.35 1ube s ALA 92 Ca 0.28 -1.38 0.08 0.00 0.00 0.00 0.00 51.96 50.94 1ube s ALA 92 Cb -0.09 -0.63 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 1ube s ALA 92 CO 0.19 0.58 -0.25 0.00 0.00 0.00 0.00 175.76 176.28 1ube s ALA 93 N -1.20 2.04 -0.25 0.00 0.00 -0.79 -2.65 121.76 118.91 1ube s ALA 93 Ca 0.18 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 51.09 1ube s ALA 93 Cb -0.10 -0.52 0.07 0.00 0.00 0.00 0.00 23.12 22.57 1ube s ALA 93 CO 0.10 0.50 -0.03 0.12 0.00 0.00 0.00 175.76 176.46 1ube s PHE 94 N -0.58 2.43 -0.69 0.00 5.99 0.16 -0.97 117.98 124.32 1ube s PHE 94 Ca 0.09 -1.86 -0.22 0.00 0.00 0.00 0.00 56.93 54.95 1ube s PHE 94 Cb -0.09 -1.71 0.08 0.00 0.00 0.00 0.00 43.02 41.30 1ube s PHE 94 CO -0.01 -0.80 0.96 0.42 -0.00 0.00 0.00 175.22 175.80 1ube s ILE 95 N 1.38 4.43 0.23 3.12 1.09 -0.11 -1.51 121.20 129.83 1ube s ILE 95 Ca -0.03 -0.61 -0.30 0.00 -1.10 0.00 0.00 60.65 58.62 1ube s ILE 95 Cb -0.19 -4.68 -0.09 0.00 -1.06 0.00 0.00 42.46 36.45 1ube s ILE 95 CO -0.08 -1.43 1.07 -0.62 -0.10 0.00 0.00 174.94 173.77 1ube s ASP 96 N 3.68 7.34 0.00 3.58 3.68 0.30 -2.73 116.67 132.52 1ube s ASP 96 Ca 0.23 2.14 0.00 0.00 2.13 0.00 0.00 52.55 57.04 1ube s ASP 96 Cb -0.16 -2.61 0.00 0.00 -1.45 0.00 0.00 42.92 38.70 1ube s ASP 96 CO 0.07 -0.12 0.00 0.00 0.13 0.00 0.00 175.17 175.25 1ube n ALA 97 N 1.73 0.00 -0.04 3.66 0.00 -1.26 -3.49 120.51 121.11 1ube n ALA 97 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1ube n ALA 97 Cb 0.46 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.76 1ube n ALA 97 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ube n GLU 98 N 0.00 0.65 -3.16 0.00 -0.58 -1.26 -4.93 120.64 111.37 1ube n GLU 98 Ca 0.00 0.22 -0.15 0.00 -0.42 0.00 0.00 57.16 56.81 1ube n GLU 98 Cb 0.00 -1.72 0.06 0.00 -0.57 0.00 0.00 31.44 29.21 1ube n GLU 98 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1ube n HIS 99 N -2.98 -1.82 -3.13 -0.32 8.25 -1.26 -4.98 115.22 108.96 1ube n HIS 99 Ca -0.22 0.70 -0.20 0.00 -0.26 0.00 0.00 57.72 57.75 1ube n HIS 99 Cb 1.08 -4.04 -0.05 0.00 1.12 0.00 0.00 29.99 28.10 1ube n HIS 99 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ube n ALA 100 N -3.78 1.38 -2.38 -1.41 0.00 -1.26 -5.09 120.51 107.96 1ube n ALA 100 Ca -0.10 -2.66 -0.29 0.00 0.00 0.00 0.00 53.44 50.39 1ube n ALA 100 Cb 0.58 -0.97 -0.13 0.00 0.00 0.00 0.00 19.45 18.93 1ube n ALA 100 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1ube s LEU 101 N -0.40 2.29 -0.27 0.00 2.96 -1.26 -5.10 118.68 116.90 1ube s LEU 101 Ca 0.33 -0.72 0.00 0.00 -0.22 0.00 0.00 54.13 53.53 1ube s LEU 101 Cb 0.11 -1.23 0.08 0.00 0.50 0.00 0.00 46.19 45.65 1ube s LEU 101 CO -0.15 0.19 0.02 -0.62 -1.32 0.00 0.00 176.35 174.47 1ube s ASP 102 N -1.90 3.88 0.36 3.68 -1.08 -1.26 -5.01 116.67 115.34 1ube s ASP 102 Ca 0.13 -1.40 0.06 0.00 -0.52 0.00 0.00 52.55 50.82 1ube s ASP 102 Cb -0.10 -1.05 0.68 0.00 -1.46 0.00 0.00 42.92 40.99 1ube s ASP 102 CO 0.05 -0.32 1.91 -0.65 0.52 0.00 0.00 175.17 176.68 1ube h PRO 103 N 8.00 0.47 -0.09 4.34 0.11 -1.99 -0.20 132.00 142.63 1ube h PRO 103 Ca -0.14 -0.09 0.03 0.00 0.11 0.00 0.00 66.00 65.90 1ube h PRO 103 Cb 1.05 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 1ube h PRO 103 CO 0.43 0.49 0.07 0.93 -0.21 0.00 0.00 178.00 179.71 1ube h GLU 104 N 0.45 0.00 0.00 1.05 5.08 -1.98 0.39 114.58 119.57 1ube h GLU 104 Ca 0.10 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1ube h GLU 104 Cb 0.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1ube h GLU 104 CO 0.01 0.00 -0.31 -0.92 -1.00 0.00 0.00 179.01 176.79 1ube h TYR 105 N 0.00 0.00 -1.33 4.33 3.20 -1.81 -2.67 116.97 118.69 1ube h TYR 105 Ca 0.04 0.00 0.39 0.00 3.14 0.00 0.00 58.73 62.30 1ube h TYR 105 Cb 0.19 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 38.38 1ube h TYR 105 CO 0.00 0.24 0.92 0.00 -1.64 0.00 0.00 178.16 177.68 1ube h ALA 106 N -0.85 3.04 0.18 1.82 0.00 -0.72 0.16 119.26 122.89 1ube h ALA 106 Ca -0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1ube h ALA 106 Cb 0.41 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1ube h ALA 106 CO -0.02 -1.48 -0.09 1.57 0.00 0.00 0.00 179.25 179.24 1ube h LYS 107 N 0.08 -0.23 -0.67 0.00 5.09 -0.29 -0.51 116.57 120.04 1ube h LYS 107 Ca 0.68 0.02 0.14 0.00 0.09 0.00 0.00 60.65 61.58 1ube h LYS 107 Cb 2.45 0.05 -0.11 0.00 0.10 0.00 0.00 32.23 34.73 1ube h LYS 107 CO -0.12 0.18 0.06 0.87 -2.09 0.00 0.00 179.45 178.34 1ube h LYS 108 N -0.85 0.16 -0.84 0.07 1.57 -0.64 0.42 116.57 116.45 1ube h LYS 108 Ca -0.02 -0.01 0.17 0.00 -1.87 0.00 0.00 60.65 58.91 1ube h LYS 108 Cb 0.52 -0.04 -0.10 0.00 0.08 0.00 0.00 32.23 32.69 1ube h LYS 108 CO 0.04 0.10 0.39 -0.07 -0.57 0.00 0.00 179.45 179.35 1ube h LEU 109 N 0.16 0.41 0.00 2.94 3.38 -1.32 -3.45 115.31 117.44 1ube h LEU 109 Ca 0.36 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.45 1ube h LEU 109 Cb 0.60 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1ube h LEU 109 CO -0.54 0.13 0.00 0.61 0.09 0.00 0.00 178.44 178.73 1ube n GLY 110 N -1.33 0.17 3.80 0.83 0.00 0.15 -4.96 105.19 103.84 1ube n GLY 110 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1ube n GLY 110 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ube s VAL 111 N -0.28 4.65 -1.16 1.61 1.01 -0.22 -4.53 120.40 121.48 1ube s VAL 111 Ca 0.00 1.35 -0.08 0.00 0.00 0.00 0.00 61.98 63.25 1ube s VAL 111 Cb 0.00 -3.97 0.24 0.00 0.00 0.00 0.00 36.38 32.66 1ube s VAL 111 CO 0.00 0.54 1.47 -0.67 0.00 0.00 0.00 175.10 176.44 1ube n ASP 112 N 1.74 5.66 -0.19 3.32 2.03 -1.26 -4.35 116.55 123.50 1ube n ASP 112 Ca -0.09 -3.16 -0.03 0.00 0.52 0.00 0.00 54.79 52.03 1ube n ASP 112 Cb 0.50 -1.40 0.04 0.00 -0.72 0.00 0.00 41.12 39.54 1ube n ASP 112 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1ube h THR 113 N 3.78 0.32 0.00 5.18 1.35 -1.93 -0.22 112.91 121.40 1ube h THR 113 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.12 1ube h THR 113 Cb 0.73 0.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 1ube h THR 113 CO 1.30 0.00 0.40 0.47 -0.25 0.00 0.00 175.52 177.44 1ube n ASP 114 N -5.43 0.20 -1.39 5.36 8.00 -1.26 0.20 116.55 122.23 1ube n ASP 114 Ca 0.06 0.42 -0.01 0.00 0.71 0.00 0.00 54.79 55.97 1ube n ASP 114 Cb 0.33 -0.34 0.10 0.00 -0.02 0.00 0.00 41.12 41.20 1ube n ASP 114 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1ube n SER 115 N -1.83 2.13 -4.53 -2.24 3.41 -0.10 -5.03 113.62 105.42 1ube n SER 115 Ca -0.01 -3.14 -0.34 0.00 -0.26 0.00 0.00 58.87 55.13 1ube n SER 115 Cb 0.41 -0.43 -0.12 0.00 -0.26 0.00 0.00 64.21 63.82 1ube n SER 115 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1ube s LEU 116 N -2.52 3.26 -0.56 1.04 0.20 0.55 -4.76 118.68 115.89 1ube s LEU 116 Ca 0.38 -0.08 -0.24 0.00 0.69 0.00 0.00 54.13 54.88 1ube s LEU 116 Cb 0.38 -1.76 0.04 0.00 -0.43 0.00 0.00 46.19 44.41 1ube s LEU 116 CO -0.07 0.23 0.96 -0.76 -0.29 0.00 0.00 176.35 176.42 1ube s LEU 117 N -0.02 4.07 -0.09 -0.68 1.43 -1.08 -4.99 118.68 117.32 1ube s LEU 117 Ca 0.01 -0.35 -0.03 0.00 -1.03 0.00 0.00 54.13 52.73 1ube s LEU 117 Cb -0.13 -2.83 -0.03 0.00 0.03 0.00 0.00 46.19 43.22 1ube s LEU 117 CO 0.03 -1.25 0.03 -0.69 0.23 0.00 0.00 176.35 174.70 1ube s VAL 118 N 4.01 4.58 -0.05 -1.59 1.01 -1.26 0.39 120.40 127.49 1ube s VAL 118 Ca 0.31 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.16 1ube s VAL 118 Cb -0.12 -2.94 0.02 0.00 0.00 0.00 0.00 36.38 33.33 1ube s VAL 118 CO 0.19 0.61 -0.06 -0.55 0.00 0.00 0.00 175.10 175.29 1ube s SER 119 N -0.92 1.23 -0.81 3.32 0.15 -0.57 -4.97 113.70 111.13 1ube s SER 119 Ca 0.14 -0.18 0.02 0.00 0.70 0.00 0.00 55.95 56.63 1ube s SER 119 Cb -0.11 -0.56 0.28 0.00 -1.71 0.00 0.00 66.02 63.91 1ube s SER 119 CO 0.03 -0.04 1.05 0.00 1.20 0.00 0.00 173.24 175.48 1ube n GLN 120 N 4.04 3.34 -0.90 5.44 6.02 -1.26 0.11 117.38 134.17 1ube n GLN 120 Ca -0.23 -4.64 -0.37 0.00 -0.01 0.00 0.00 57.00 51.75 1ube n GLN 120 Cb 0.51 -2.36 0.08 0.00 1.02 0.00 0.00 30.24 29.49 1ube n GLN 120 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1ube n PRO 121 N 0.97 -0.46 -0.06 -1.09 -0.02 -1.23 -5.00 135.00 128.11 1ube n PRO 121 Ca 0.29 -0.13 -0.11 0.00 -2.02 0.00 0.00 63.50 61.53 1ube n PRO 121 Cb 0.38 -1.23 -0.04 0.00 -0.02 0.00 0.00 33.50 32.58 1ube n PRO 121 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1ube n ASP 122 N 1.83 1.61 -4.81 2.55 8.00 -1.26 -4.96 116.55 119.51 1ube n ASP 122 Ca -0.01 0.07 -0.22 0.00 0.71 0.00 0.00 54.79 55.34 1ube n ASP 122 Cb 0.69 -0.28 -0.05 0.00 -0.02 0.00 0.00 41.12 41.46 1ube n ASP 122 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1ube s THR 123 N -2.21 4.40 -0.28 -3.53 -4.23 -1.26 -4.97 115.64 103.56 1ube s THR 123 Ca -0.15 -1.41 0.28 0.00 -1.18 0.00 0.00 61.69 59.22 1ube s THR 123 Cb 0.05 -3.37 0.34 0.00 1.34 0.00 0.00 72.50 70.86 1ube s THR 123 CO 0.22 -0.34 1.80 1.23 -0.54 0.00 0.00 174.62 176.99 1ube h GLY 124 N 1.57 0.00 0.08 3.99 0.00 0.14 -2.34 103.07 106.52 1ube h GLY 124 Ca -0.48 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 1ube h GLY 124 CO 0.61 0.00 -0.01 0.83 0.00 0.00 0.00 176.54 177.97 1ube h GLU 125 N 0.00 -0.03 -0.76 4.80 5.08 -1.84 -2.94 114.58 118.89 1ube h GLU 125 Ca 0.00 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.52 1ube h GLU 125 Cb 0.65 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.86 1ube h GLU 125 CO 0.00 0.65 0.51 0.37 -1.00 0.00 0.00 179.01 179.54 1ube h GLN 126 N -0.95 0.36 -0.21 2.33 4.15 -1.91 -1.80 115.11 117.08 1ube h GLN 126 Ca -0.00 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.37 1ube h GLN 126 Cb 0.69 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.30 1ube h GLN 126 CO 0.01 0.24 0.03 0.00 -1.93 0.00 0.00 178.83 177.17 1ube h ALA 127 N 1.64 0.28 0.00 3.38 0.00 -1.41 -2.17 119.26 120.98 1ube h ALA 127 Ca 0.38 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1ube h ALA 127 Cb 0.93 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1ube h ALA 127 CO -0.11 -0.04 -0.06 -0.07 0.00 0.00 0.00 179.25 178.97 1ube h LEU 128 N 0.15 0.00 0.05 0.00 3.38 -1.14 -1.33 115.31 116.42 1ube h LEU 128 Ca 0.06 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 1ube h LEU 128 Cb 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1ube h LEU 128 CO 0.00 0.06 -0.65 -0.33 0.09 0.00 0.00 178.44 177.61 1ube h GLU 129 N 0.00 0.11 -0.57 1.13 4.39 -1.43 -0.23 114.58 117.99 1ube h GLU 129 Ca -0.00 -0.20 0.14 0.00 0.34 0.00 0.00 59.36 59.64 1ube h GLU 129 Cb 0.41 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 1ube h GLU 129 CO 0.01 1.09 0.40 0.82 -1.16 0.00 0.00 179.01 180.17 1ube h ILE 130 N -0.73 0.79 0.00 3.13 2.04 -1.22 0.77 117.51 122.29 1ube h ILE 130 Ca -0.14 -0.06 -0.15 0.00 1.00 0.00 0.00 64.86 65.51 1ube h ILE 130 Cb 1.34 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 1ube h ILE 130 CO 0.01 0.03 -0.83 0.00 0.00 0.00 0.00 178.15 177.36 1ube h ALA 131 N 1.72 0.60 -2.19 1.87 0.00 -1.27 -3.00 119.26 116.99 1ube h ALA 131 Ca 0.27 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1ube h ALA 131 Cb 0.85 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1ube h ALA 131 CO -0.04 0.85 0.00 -3.47 0.00 0.00 0.00 179.25 176.59 1ube n ASP 132 N -3.18 0.00 0.32 0.00 -0.08 0.22 -2.59 116.55 111.24 1ube n ASP 132 Ca -0.01 0.17 0.08 0.00 -1.51 0.00 0.00 54.79 53.52 1ube n ASP 132 Cb 0.81 -0.13 0.42 0.00 2.34 0.00 0.00 41.12 44.56 1ube n ASP 132 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ube h MET 133 N 0.00 0.00 0.00 -0.67 -0.00 -0.45 0.57 114.93 114.38 1ube h MET 133 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 59.70 59.58 1ube h MET 133 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.61 1ube h MET 133 CO 0.00 0.00 -0.48 1.25 -0.00 0.00 0.00 176.91 177.68 1ube h LEU 134 N 0.00 0.42 -1.37 -0.10 5.85 -1.63 -3.17 115.31 115.31 1ube h LEU 134 Ca 0.00 -0.77 -0.06 0.00 0.84 0.00 0.00 57.88 57.89 1ube h LEU 134 Cb 1.25 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1ube h LEU 134 CO 0.00 1.14 -0.29 1.62 -0.34 0.00 0.00 178.44 180.57 1ube h VAL 135 N -0.25 0.95 0.00 1.05 3.04 0.37 -2.78 116.25 118.63 1ube h VAL 135 Ca -0.06 -1.10 -0.07 0.00 -1.01 0.00 0.00 66.70 64.45 1ube h VAL 135 Cb 1.21 1.64 -0.01 0.00 -2.01 0.00 0.00 31.29 32.12 1ube h VAL 135 CO 0.09 0.29 -0.35 0.03 -1.01 0.00 0.00 177.57 176.62 1ube h ARG 136 N 0.00 0.00 0.00 4.17 3.08 -1.31 -2.60 114.38 117.73 1ube h ARG 136 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ube h ARG 136 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1ube h ARG 136 CO 0.04 0.35 0.16 -1.13 -1.07 0.00 0.00 179.97 178.31 1ube n SER 137 N -4.09 0.36 -3.64 7.04 3.41 -1.05 -4.79 113.62 110.85 1ube n SER 137 Ca -0.02 0.60 -0.22 0.00 -0.26 0.00 0.00 58.87 58.96 1ube n SER 137 Cb 0.39 -0.60 0.06 0.00 -0.26 0.00 0.00 64.21 63.80 1ube n SER 137 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ube n GLY 138 N -1.30 -0.41 0.42 5.00 0.00 -0.98 -4.89 105.19 103.03 1ube n GLY 138 Ca -0.01 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1ube n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ube n ALA 139 N -4.49 2.35 -1.77 4.61 0.00 -1.26 -5.06 120.51 114.89 1ube n ALA 139 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.90 1ube n ALA 139 Cb 0.62 0.40 -0.01 0.00 0.00 0.00 0.00 19.45 20.45 1ube n ALA 139 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ube s LEU 140 N -5.00 4.11 -0.25 0.00 2.01 -1.26 -4.35 118.68 113.93 1ube s LEU 140 Ca 0.00 2.35 -0.14 0.00 0.01 0.00 0.00 54.13 56.35 1ube s LEU 140 Cb 0.00 -4.12 -0.15 0.00 0.01 0.00 0.00 46.19 41.94 1ube s LEU 140 CO 0.00 -0.80 -0.18 0.47 1.01 0.00 0.00 176.35 176.85 1ube n ASP 141 N -0.19 1.94 -4.14 2.29 9.92 -0.48 -4.39 116.55 121.51 1ube n ASP 141 Ca 0.06 0.32 -0.21 0.00 -0.53 0.00 0.00 54.79 54.42 1ube n ASP 141 Cb 0.47 -0.83 -0.14 0.00 -0.64 0.00 0.00 41.12 39.98 1ube n ASP 141 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1ube s ILE 142 N -2.47 1.15 -0.00 0.53 1.10 -1.25 -0.20 121.20 120.06 1ube s ILE 142 Ca -0.35 -0.90 0.01 0.00 -0.51 0.00 0.00 60.65 58.90 1ube s ILE 142 Cb 0.12 -1.02 -0.00 0.00 0.15 0.00 0.00 42.46 41.71 1ube s ILE 142 CO 0.53 0.11 -0.04 -0.51 -2.11 0.00 0.00 174.94 172.92 1ube s ILE 143 N -0.69 0.33 -0.03 2.00 2.07 -0.96 -1.89 121.20 122.02 1ube s ILE 143 Ca 0.03 -0.17 0.04 0.00 -1.41 0.00 0.00 60.65 59.14 1ube s ILE 143 Cb -0.07 -0.28 -0.00 0.00 0.13 0.00 0.00 42.46 42.23 1ube s ILE 143 CO 0.01 0.10 -0.14 0.54 -1.91 0.00 0.00 174.94 173.54 1ube s VAL 144 N -0.06 1.15 -0.23 4.00 0.11 -0.14 -0.31 120.40 124.92 1ube s VAL 144 Ca 0.01 -0.57 -0.06 0.00 -2.93 0.00 0.00 61.98 58.43 1ube s VAL 144 Cb -0.02 -0.99 -0.02 0.00 -1.53 0.00 0.00 36.38 33.82 1ube s VAL 144 CO -0.00 0.34 0.02 -0.63 -3.33 0.00 0.00 175.10 171.49 1ube s ILE 145 N 0.01 3.96 -0.44 7.04 1.09 0.98 -0.93 121.20 132.91 1ube s ILE 145 Ca -0.02 -0.30 -0.21 0.00 -1.10 0.00 0.00 60.65 59.03 1ube s ILE 145 Cb -0.09 -2.82 0.03 0.00 -1.06 0.00 0.00 42.46 38.51 1ube s ILE 145 CO 0.01 0.39 0.64 -0.62 -0.10 0.00 0.00 174.94 175.26 1ube s ASP 146 N 1.39 6.32 0.00 3.58 3.68 -1.10 -2.05 116.67 128.49 1ube s ASP 146 Ca 0.05 -0.37 0.00 0.00 2.13 0.00 0.00 52.55 54.36 1ube s ASP 146 Cb -0.15 -2.32 0.00 0.00 -1.45 0.00 0.00 42.92 39.01 1ube s ASP 146 CO 0.01 -0.79 0.00 -1.20 0.13 0.00 0.00 175.17 173.32 1ube n SER 147 N 6.27 -1.47 0.27 -0.34 7.64 -1.04 -4.00 113.62 120.95 1ube n SER 147 Ca -0.02 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.00 1ube n SER 147 Cb 0.48 -0.74 0.79 0.00 -1.01 0.00 0.00 64.21 63.73 1ube n SER 147 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1ube h VAL 148 N 0.00 0.46 0.12 0.44 2.07 0.81 -2.55 116.25 117.60 1ube h VAL 148 Ca 0.00 -0.43 -0.28 0.00 0.82 0.00 0.00 66.70 66.81 1ube h VAL 148 Cb 0.00 1.29 0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1ube h VAL 148 CO 0.00 0.09 -1.22 0.00 0.02 0.00 0.00 177.57 176.46 1ube h ALA 149 N 1.91 0.09 -0.20 1.67 0.00 -1.92 -3.32 119.26 117.49 1ube h ALA 149 Ca -0.00 -0.82 -0.11 0.00 0.00 0.00 0.00 54.91 53.98 1ube h ALA 149 Cb 0.28 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 1ube h ALA 149 CO 0.01 0.83 0.14 0.00 0.00 0.00 0.00 179.25 180.23 1ube n ALA 150 N -2.60 3.27 -2.82 0.00 0.00 -0.96 -4.50 120.51 112.90 1ube n ALA 150 Ca -0.11 -0.60 -0.35 0.00 0.00 0.00 0.00 53.44 52.39 1ube n ALA 150 Cb 0.99 -1.10 -0.01 0.00 0.00 0.00 0.00 19.45 19.33 1ube n ALA 150 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ube n LEU 151 N 0.26 5.96 -4.75 0.00 4.32 -1.25 -4.85 117.00 116.68 1ube n LEU 151 Ca 0.12 -5.51 -0.41 0.00 -0.02 0.00 0.00 56.01 50.19 1ube n LEU 151 Cb 0.72 -0.90 -0.02 0.00 -1.62 0.00 0.00 43.42 41.60 1ube n LEU 151 CO 0.13 2.16 1.04 0.68 -1.22 0.00 0.00 177.39 180.18 1ube s VAL 152 N -4.23 2.76 0.92 4.08 -7.23 -1.26 -4.33 120.40 111.10 1ube s VAL 152 Ca 0.43 0.68 -0.12 0.00 -1.81 0.00 0.00 61.98 61.16 1ube s VAL 152 Cb 0.22 -3.43 0.14 0.00 0.56 0.00 0.00 36.38 33.86 1ube s VAL 152 CO -0.12 0.13 1.11 -2.84 -0.31 0.00 0.00 175.10 173.07 1ube s PRO 153 N -0.87 1.10 0.22 4.82 0.02 -1.26 0.16 135.00 139.18 1ube s PRO 153 Ca 0.55 0.53 -0.08 0.00 0.02 0.00 0.00 61.00 62.02 1ube s PRO 153 Cb -0.40 -1.81 0.31 0.00 0.02 0.00 0.00 34.50 32.61 1ube s PRO 153 CO 0.46 -2.28 1.75 0.00 -0.33 0.00 0.00 177.00 176.61 1ube h ARG 154 N -1.56 0.45 -0.04 5.54 3.08 -1.95 -2.96 114.38 116.94 1ube h ARG 154 Ca -0.51 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 59.53 1ube h ARG 154 Cb 1.31 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.23 1ube h ARG 154 CO 0.59 0.30 -0.26 0.00 -1.07 0.00 0.00 179.97 179.52 1ube h ALA 155 N 1.43 -0.68 -0.95 0.04 0.00 -1.92 0.32 119.26 117.50 1ube h ALA 155 Ca 0.33 -0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.37 1ube h ALA 155 Cb 0.39 0.76 -0.10 0.00 0.00 0.00 0.00 17.79 18.84 1ube h ALA 155 CO -0.30 -0.77 0.54 1.49 0.00 0.00 0.00 179.25 180.21 1ube h GLU 156 N -0.30 0.69 0.00 0.00 4.81 -1.92 0.92 114.58 118.78 1ube h GLU 156 Ca 0.01 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 1ube h GLU 156 Cb 0.34 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1ube h GLU 156 CO -0.20 0.46 -0.27 0.97 -0.73 0.00 0.00 179.01 179.24 1ube h ILE 157 N 0.71 0.69 0.00 2.32 2.10 -1.30 -3.50 117.51 118.54 1ube h ILE 157 Ca 0.53 -1.22 -0.23 0.00 1.08 0.00 0.00 64.86 65.02 1ube h ILE 157 Cb 0.80 1.79 -0.04 0.00 -1.09 0.00 0.00 36.82 38.27 1ube h ILE 157 CO -0.38 0.27 -2.05 -0.62 -1.08 0.00 0.00 178.15 174.29 1ube n GLU 158 N -3.48 1.16 0.00 2.19 1.02 0.32 -5.10 120.64 116.75 1ube n GLU 158 Ca -0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1ube n GLU 158 Cb 0.44 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 1ube n GLU 158 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ube n GLY 167 N 1.89 0.00 0.11 0.62 0.00 -1.26 -4.84 105.19 101.71 1ube n GLY 167 Ca -0.22 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.93 1ube n GLY 167 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ube h LEU 168 N 0.00 0.00 0.13 0.99 3.38 -2.00 -3.33 115.31 114.48 1ube h LEU 168 Ca 0.00 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1ube h LEU 168 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1ube h LEU 168 CO 0.00 0.04 -0.06 -0.61 0.09 0.00 0.00 178.44 177.90 1ube h GLN 169 N 0.00 -0.17 -5.65 1.13 4.15 -1.93 -1.83 115.11 110.81 1ube h GLN 169 Ca 0.00 0.01 -0.39 0.00 0.77 0.00 0.00 58.65 59.04 1ube h GLN 169 Cb 0.85 0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.53 1ube h GLN 169 CO 0.00 -0.09 1.18 0.00 -1.93 0.00 0.00 178.83 177.99 1ube s ALA 170 N -3.00 2.06 0.00 3.38 0.00 -1.25 0.18 121.76 123.13 1ube s ALA 170 Ca -0.03 -2.09 0.00 0.00 0.00 0.00 0.00 51.96 49.83 1ube s ALA 170 Cb 0.00 -4.63 0.00 0.00 0.00 0.00 0.00 23.12 18.50 1ube s ALA 170 CO 0.10 -4.70 0.00 2.89 0.00 0.00 0.00 175.76 174.05 1ube n ARG 171 N 8.51 0.00 -0.06 0.00 0.00 -1.25 -4.79 116.66 119.07 1ube n ARG 171 Ca 0.43 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 58.19 1ube n ARG 171 Cb 0.47 0.00 -0.03 0.00 -0.00 0.00 0.00 32.46 32.90 1ube n ARG 171 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1ube h LEU 172 N 0.00 -1.03 0.72 2.89 5.85 0.28 1.71 115.31 125.73 1ube h LEU 172 Ca 0.00 0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 1ube h LEU 172 Cb 0.00 0.46 0.01 0.00 0.37 0.00 0.00 40.66 41.50 1ube h LEU 172 CO 0.00 -0.33 -0.35 0.24 -0.34 0.00 0.00 178.44 177.66 1ube h MET 173 N -0.31 -0.94 -0.92 1.25 2.86 -1.15 0.79 114.93 116.51 1ube h MET 173 Ca 0.14 0.06 0.08 0.00 -2.06 0.00 0.00 59.70 57.92 1ube h MET 173 Cb 0.54 0.21 -0.11 0.00 0.06 0.00 0.00 31.60 32.30 1ube h MET 173 CO -0.45 -0.63 -0.54 0.43 1.06 0.00 0.00 176.91 176.78 1ube n SER 174 N -4.84 -0.97 0.00 1.22 7.64 -0.88 0.17 113.62 115.95 1ube n SER 174 Ca -0.12 1.66 0.00 0.00 1.01 0.00 0.00 58.87 61.42 1ube n SER 174 Cb 0.38 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 1ube n SER 174 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ube n GLN 175 N -5.11 0.00 -0.30 1.43 1.13 0.58 -1.86 117.38 113.25 1ube n GLN 175 Ca 0.02 0.48 0.13 0.00 -1.94 0.00 0.00 57.00 55.69 1ube n GLN 175 Cb 0.24 -1.16 0.29 0.00 0.11 0.00 0.00 30.24 29.72 1ube n GLN 175 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ube h ALA 176 N -1.79 1.27 -0.58 -1.58 0.00 0.13 -1.60 119.26 115.10 1ube h ALA 176 Ca 0.00 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1ube h ALA 176 Cb 0.00 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1ube h ALA 176 CO 0.00 -0.48 0.36 -0.07 0.00 0.00 0.00 179.25 179.05 1ube h LEU 177 N 0.19 0.69 0.83 0.00 -0.00 0.19 0.25 115.31 117.45 1ube h LEU 177 Ca 0.56 -0.05 -0.04 0.00 -0.00 0.00 0.00 57.88 58.35 1ube h LEU 177 Cb 1.13 -0.17 0.01 0.00 -0.00 0.00 0.00 40.66 41.62 1ube h LEU 177 CO -0.67 0.53 -0.40 -0.09 -0.00 0.00 0.00 178.44 177.81 1ube h ARG 178 N 0.78 -1.07 0.00 1.13 2.43 -0.55 0.75 114.38 117.86 1ube h ARG 178 Ca 0.21 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1ube h ARG 178 Cb -0.03 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1ube h ARG 178 CO -0.04 -0.71 0.25 -0.22 -1.51 0.00 0.00 179.97 177.73 1ube h LYS 179 N -1.12 0.00 0.00 0.20 3.64 -1.44 -2.43 116.57 115.41 1ube h LYS 179 Ca -0.11 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 58.99 1ube h LYS 179 Cb 0.85 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.62 1ube h LYS 179 CO 0.19 0.00 -2.17 -0.12 -2.27 0.00 0.00 179.45 175.08 1ube n MET 180 N -2.93 1.05 0.26 1.90 1.56 0.87 -4.28 117.12 115.54 1ube n MET 180 Ca -0.02 -0.03 0.13 0.00 -0.27 0.00 0.00 57.70 57.51 1ube n MET 180 Cb 0.30 -1.45 0.71 0.00 2.15 0.00 0.00 33.22 34.93 1ube n MET 180 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1ube h THR 181 N 0.00 0.47 0.00 1.12 1.03 0.10 -2.94 112.91 112.68 1ube h THR 181 Ca -0.42 -0.59 0.00 0.00 -0.01 0.00 0.00 66.41 65.39 1ube h THR 181 Cb 1.93 1.41 0.00 0.00 -1.07 0.00 0.00 68.15 70.41 1ube h THR 181 CO 0.02 0.12 0.00 0.61 -0.01 0.00 0.00 175.52 176.26 1ube n GLY 182 N -0.51 -2.01 0.34 2.99 0.00 -1.11 -3.10 105.19 101.80 1ube n GLY 182 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 1ube n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ube n ALA 183 N -0.77 -0.44 -0.26 4.61 0.00 -1.23 0.12 120.51 122.55 1ube n ALA 183 Ca 0.00 0.73 0.07 0.00 0.00 0.00 0.00 53.44 54.24 1ube n ALA 183 Cb 0.00 -0.17 0.15 0.00 0.00 0.00 0.00 19.45 19.43 1ube n ALA 183 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ube n LEU 184 N -5.08 -0.19 0.30 0.00 4.77 -1.11 0.25 117.00 115.93 1ube n LEU 184 Ca 0.03 1.27 0.18 0.00 -0.03 0.00 0.00 56.01 57.46 1ube n LEU 184 Cb 0.24 -0.42 0.90 0.00 -2.33 0.00 0.00 43.42 41.81 1ube n LEU 184 CO -0.13 -1.24 1.06 0.78 -1.33 0.00 0.00 177.39 176.53 1ube h ASN 185 N 0.00 0.00 0.00 -1.43 4.21 -0.25 0.41 115.58 118.51 1ube h ASN 185 Ca 0.39 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.87 1ube h ASN 185 Cb 0.70 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.89 1ube h ASN 185 CO -0.74 0.03 -0.87 0.59 -1.29 0.00 0.00 177.43 175.15 1ube n ASN 186 N -3.22 1.88 -0.29 5.81 5.03 0.69 -4.51 115.26 120.65 1ube n ASN 186 Ca -0.01 0.47 0.01 0.00 0.87 0.00 0.00 54.58 55.92 1ube n ASN 186 Cb 0.20 -0.82 0.08 0.00 -1.02 0.00 0.00 39.78 38.23 1ube n ASN 186 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 1ube h SER 187 N -1.00 -0.94 0.00 6.41 4.64 0.51 -3.45 113.55 119.71 1ube h SER 187 Ca -0.06 0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1ube h SER 187 Cb 0.83 0.56 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1ube h SER 187 CO -0.03 -0.28 0.00 0.61 -0.87 0.00 0.00 176.83 176.25 1ube n GLY 188 N -1.51 0.78 3.63 -0.77 0.00 0.14 -4.94 105.19 102.52 1ube n GLY 188 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1ube n GLY 188 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ube s THR 189 N -2.19 4.81 0.25 2.61 2.01 -1.23 -3.14 115.64 118.76 1ube s THR 189 Ca 0.00 1.42 -0.29 0.00 0.31 0.00 0.00 61.69 63.13 1ube s THR 189 Cb 0.00 -4.14 -0.09 0.00 0.01 0.00 0.00 72.50 68.28 1ube s THR 189 CO 0.00 -0.16 0.93 0.28 -0.69 0.00 0.00 174.62 174.98 1ube s THR 190 N 2.91 4.12 -0.05 -0.82 -1.32 0.73 -3.79 115.64 117.42 1ube s THR 190 Ca 0.34 2.00 0.05 0.00 -1.21 0.00 0.00 61.69 62.87 1ube s THR 190 Cb -0.15 -4.25 -0.00 0.00 -1.51 0.00 0.00 72.50 66.59 1ube s THR 190 CO 0.10 0.43 -0.19 0.00 -2.21 0.00 0.00 174.62 172.74 1ube s ALA 191 N -1.27 1.71 -0.07 11.08 0.00 -0.55 -2.26 121.76 130.41 1ube s ALA 191 Ca 0.42 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.62 1ube s ALA 191 Cb -0.24 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.28 1ube s ALA 191 CO 0.30 0.30 -0.09 0.42 0.00 0.00 0.00 175.76 176.69 1ube s ILE 192 N 0.06 3.54 -0.06 0.00 1.01 0.58 0.17 121.20 126.49 1ube s ILE 192 Ca -0.06 -0.54 0.04 0.00 0.00 0.00 0.00 60.65 60.10 1ube s ILE 192 Cb -0.13 -2.44 0.00 0.00 0.01 0.00 0.00 42.46 39.90 1ube s ILE 192 CO 0.03 0.59 -0.18 -0.36 0.00 0.00 0.00 174.94 175.02 1ube s PHE 193 N -0.71 1.91 -0.21 3.97 0.08 -0.21 -0.01 117.98 122.80 1ube s PHE 193 Ca 0.11 -0.65 -0.10 0.00 0.12 0.00 0.00 56.93 56.42 1ube s PHE 193 Cb -0.11 -1.30 -0.05 0.00 -0.57 0.00 0.00 43.02 40.99 1ube s PHE 193 CO 0.01 -0.25 0.12 0.42 -0.10 0.00 0.00 175.22 175.42 1ube s ILE 194 N 0.24 5.25 0.15 0.64 1.09 -0.87 -2.18 121.20 125.52 1ube s ILE 194 Ca -0.10 0.14 0.00 0.00 -1.10 0.00 0.00 60.65 59.59 1ube s ILE 194 Cb -0.14 -3.40 -0.00 0.00 -1.06 0.00 0.00 42.46 37.85 1ube s ILE 194 CO 0.04 0.42 0.01 -3.20 -0.10 0.00 0.00 174.94 172.11 1ube n ASN 195 N 3.72 2.20 0.00 3.58 2.85 -1.12 0.13 115.26 126.62 1ube n ASN 195 Ca -0.16 -1.69 0.00 0.00 -0.11 0.00 0.00 54.58 52.62 1ube n ASN 195 Cb 0.52 0.15 0.00 0.00 1.24 0.00 0.00 39.78 41.69 1ube n ASN 195 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ube n GLN 196 N -0.37 0.00 0.00 1.20 3.00 -1.26 -3.86 117.38 116.08 1ube n GLN 196 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 1ube n GLN 196 Cb 0.20 -0.45 0.00 0.00 0.00 0.00 0.00 30.24 29.99 1ube n GLN 196 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1ube n THR 212 N -2.81 0.00 -1.19 5.09 -1.04 -1.26 -4.04 114.28 109.03 1ube n THR 212 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1ube n THR 212 Cb 0.39 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.90 1ube n THR 212 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ube n GLY 213 N 0.00 -0.51 0.00 3.41 0.00 -1.26 -4.65 105.19 102.18 1ube n GLY 213 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ube n GLY 213 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ube n GLY 214 N 0.00 0.00 0.00 -0.02 0.00 -1.26 -3.78 105.19 100.13 1ube n GLY 214 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ube n GLY 214 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ube n LYS 215 N 0.00 0.00 0.00 1.61 5.02 -1.26 -1.18 118.16 122.35 1ube n LYS 215 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1ube n LYS 215 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1ube n LYS 215 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ube n ALA 216 N 0.00 0.00 -0.34 7.82 0.00 -1.25 0.48 120.51 127.22 1ube n ALA 216 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.66 1ube n ALA 216 Cb 0.00 0.08 0.46 0.00 0.00 0.00 0.00 19.45 19.98 1ube n ALA 216 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ube h LEU 217 N 0.00 0.55 0.00 0.00 5.85 -1.38 1.01 115.31 121.34 1ube h LEU 217 Ca 0.00 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1ube h LEU 217 Cb 0.00 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1ube h LEU 217 CO 0.00 0.02 0.00 1.17 -0.34 0.00 0.00 178.44 179.29 1ube n LYS 218 N -4.84 0.08 0.00 1.25 0.00 0.18 -1.32 118.16 113.50 1ube n LYS 218 Ca 0.28 0.13 0.00 0.00 0.00 0.00 0.00 58.31 58.72 1ube n LYS 218 Cb 0.88 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 34.41 1ube n LYS 218 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1ube n PHE 219 N -1.14 0.00 -0.02 5.64 3.72 0.34 -4.73 117.46 121.26 1ube n PHE 219 Ca 0.02 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.48 1ube n PHE 219 Cb 0.02 0.07 0.44 0.00 -0.94 0.00 0.00 39.48 39.07 1ube n PHE 219 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 176.76 178.59 1ube h TYR 220 N 0.00 0.51 -2.31 1.38 0.05 -1.08 -3.43 116.97 112.09 1ube h TYR 220 Ca 0.00 0.01 -0.62 0.00 0.05 0.00 0.00 58.73 58.17 1ube h TYR 220 Cb 0.86 -0.17 0.10 0.00 1.01 0.00 0.00 36.73 38.52 1ube h TYR 220 CO 0.00 0.30 0.24 0.00 -1.05 0.00 0.00 178.16 177.65 1ube n ALA 221 N -2.48 -0.26 -0.01 3.88 0.00 -0.43 -4.66 120.51 116.54 1ube n ALA 221 Ca 0.05 0.42 0.06 0.00 0.00 0.00 0.00 53.44 53.97 1ube n ALA 221 Cb 0.13 -2.05 -0.15 0.00 0.00 0.00 0.00 19.45 17.38 1ube n ALA 221 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ube n SER 222 N 1.61 0.15 -3.80 0.00 7.64 -0.70 -4.90 113.62 113.63 1ube n SER 222 Ca 0.12 0.06 -0.13 0.00 1.01 0.00 0.00 58.87 59.93 1ube n SER 222 Cb 0.29 1.51 -0.13 0.00 -1.01 0.00 0.00 64.21 64.87 1ube n SER 222 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ube s VAL 223 N -3.25 -0.01 -0.22 0.44 1.01 -1.22 -1.17 120.40 115.99 1ube s VAL 223 Ca -0.07 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 1ube s VAL 223 Cb 0.12 -0.26 0.06 0.00 0.00 0.00 0.00 36.38 36.30 1ube s VAL 223 CO 0.87 0.02 0.01 -0.13 0.00 0.00 0.00 175.10 175.87 1ube s ARG 224 N 0.35 0.98 -0.19 2.72 0.52 -0.39 -1.66 118.95 121.29 1ube s ARG 224 Ca -0.02 -0.67 -0.11 0.00 -0.52 0.00 0.00 55.73 54.40 1ube s ARG 224 Cb -0.04 -2.27 -0.05 0.00 0.52 0.00 0.00 34.95 33.12 1ube s ARG 224 CO -0.01 -0.66 0.18 -0.51 0.02 0.00 0.00 175.30 174.32 1ube s LEU 225 N 1.68 4.23 -0.41 2.53 1.02 0.20 -1.99 118.68 125.93 1ube s LEU 225 Ca -0.02 0.32 -0.12 0.00 0.02 0.00 0.00 54.13 54.33 1ube s LEU 225 Cb -0.18 -2.17 0.05 0.00 0.02 0.00 0.00 46.19 43.91 1ube s LEU 225 CO -0.09 0.16 0.28 -0.62 0.02 0.00 0.00 176.35 176.10 1ube s ASP 226 N 0.34 5.87 -0.23 2.29 3.68 0.31 -0.61 116.67 128.32 1ube s ASP 226 Ca 0.11 -1.17 -0.07 0.00 2.13 0.00 0.00 52.55 53.55 1ube s ASP 226 Cb -0.12 -2.07 -0.03 0.00 -1.45 0.00 0.00 42.92 39.25 1ube s ASP 226 CO -0.00 -0.49 0.06 -0.69 0.13 0.00 0.00 175.17 174.17 1ube s VAL 227 N 1.56 4.32 0.03 1.11 1.01 0.88 -0.79 120.40 128.52 1ube s VAL 227 Ca 0.03 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.85 1ube s VAL 227 Cb -0.21 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 1ube s VAL 227 CO 0.06 0.37 -0.06 -0.13 0.00 0.00 0.00 175.10 175.34 1ube s ARG 228 N 1.30 0.47 -0.09 2.72 0.52 -0.19 -4.19 118.95 119.49 1ube s ARG 228 Ca 0.05 -0.61 -0.27 0.00 -0.52 0.00 0.00 55.73 54.38 1ube s ARG 228 Cb -0.15 -0.26 -0.02 0.00 0.52 0.00 0.00 34.95 35.04 1ube s ARG 228 CO 0.03 0.05 0.88 1.03 0.02 0.00 0.00 175.30 177.31 1ube s ARG 229 N -1.23 4.42 -0.26 3.54 0.52 -1.26 -0.77 118.95 123.91 1ube s ARG 229 Ca -0.08 1.18 -0.02 0.00 -0.52 0.00 0.00 55.73 56.28 1ube s ARG 229 Cb -0.08 -3.51 -0.16 0.00 0.52 0.00 0.00 34.95 31.72 1ube s ARG 229 CO 0.00 -0.17 -0.22 1.51 0.02 0.00 0.00 175.30 176.44 1ube n ILE 230 N 4.27 1.51 -4.11 1.52 3.06 -0.43 -4.95 119.36 120.22 1ube n ILE 230 Ca 0.05 -0.52 -0.10 0.00 -2.50 0.00 0.00 62.75 59.67 1ube n ILE 230 Cb 0.50 -1.55 -0.09 0.00 0.54 0.00 0.00 39.64 39.04 1ube n ILE 230 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 1ube s GLU 231 N -2.52 1.06 -0.57 9.51 2.02 -1.15 -4.99 118.70 122.05 1ube s GLU 231 Ca -0.35 -1.41 -0.13 0.00 0.02 0.00 0.00 54.97 53.09 1ube s GLU 231 Cb 0.10 0.29 0.14 0.00 0.10 0.00 0.00 34.13 34.76 1ube s GLU 231 CO 0.58 -0.34 0.49 0.99 0.02 0.00 0.00 175.26 177.01 1ube s THR 232 N -4.05 4.90 -0.59 3.63 2.01 -1.26 -1.68 115.64 118.59 1ube s THR 232 Ca 0.26 -1.80 -0.37 0.00 0.31 0.00 0.00 61.69 60.08 1ube s THR 232 Cb 0.06 -4.15 -0.17 0.00 0.01 0.00 0.00 72.50 68.26 1ube s THR 232 CO 0.04 -0.87 2.32 0.18 -0.69 0.00 0.00 174.62 175.61 1ube n LEU 233 N 4.87 1.12 -4.79 4.42 7.99 -0.39 -4.93 117.00 125.28 1ube n LEU 233 Ca -0.07 0.38 -0.38 0.00 -0.01 0.00 0.00 56.01 55.93 1ube n LEU 233 Cb 0.41 -1.05 -0.06 0.00 -0.11 0.00 0.00 43.42 42.61 1ube n LEU 233 CO 0.47 -0.81 0.44 -1.59 -1.51 0.00 0.00 177.39 174.38 1ube s LYS 234 N 7.03 4.43 -0.37 3.23 0.00 -1.26 -1.51 119.74 131.29 1ube s LYS 234 Ca 1.20 1.02 0.14 0.00 0.00 0.00 0.00 55.97 58.32 1ube s LYS 234 Cb -1.16 -3.14 0.40 0.00 0.00 0.00 0.00 37.83 33.93 1ube s LYS 234 CO 0.54 0.52 0.85 -0.25 0.00 0.00 0.00 175.35 177.01 1ube n ASP 235 N 1.33 1.49 0.00 0.03 10.43 -1.26 -4.77 116.55 123.80 1ube n ASP 235 Ca -0.05 -2.97 0.00 0.00 2.57 0.00 0.00 54.79 54.34 1ube n ASP 235 Cb 0.50 -0.57 0.00 0.00 1.84 0.00 0.00 41.12 42.88 1ube n ASP 235 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1ube n GLY 236 N 0.08 0.91 0.00 0.44 0.00 -1.26 -4.64 105.19 100.71 1ube n GLY 236 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1ube n GLY 236 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ube n THR 237 N 0.00 0.00 -0.12 2.61 5.66 -1.26 -4.98 114.28 116.19 1ube n THR 237 Ca 0.00 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.83 1ube n THR 237 Cb 0.00 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.68 1ube n THR 237 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1ube n ASP 238 N 0.00 2.16 -3.65 1.09 3.85 -1.26 -5.04 116.55 113.70 1ube n ASP 238 Ca 0.00 -0.07 -0.01 0.00 -0.71 0.00 0.00 54.79 54.00 1ube n ASP 238 Cb 0.00 -0.41 -0.06 0.00 -1.35 0.00 0.00 41.12 39.30 1ube n ASP 238 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1ube s ALA 239 N -2.46 -2.45 -0.13 2.12 0.00 -1.26 -4.50 121.76 113.09 1ube s ALA 239 Ca -0.31 1.97 0.19 0.00 0.00 0.00 0.00 51.96 53.81 1ube s ALA 239 Cb 0.09 -1.85 -0.28 0.00 0.00 0.00 0.00 23.12 21.08 1ube s ALA 239 CO 0.52 -0.28 0.29 1.33 0.00 0.00 0.00 175.76 177.62 1ube n VAL 240 N 2.89 0.82 0.00 0.00 0.24 -0.57 -4.89 118.33 116.82 1ube n VAL 240 Ca -0.16 -0.70 0.00 0.00 -2.04 0.00 0.00 64.34 61.44 1ube n VAL 240 Cb 0.57 -0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 1ube n VAL 240 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ube n GLY 241 N 1.53 -0.90 3.17 7.63 0.00 -1.23 0.16 105.19 115.54 1ube n GLY 241 Ca -0.20 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 1ube n GLY 241 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ube s ASN 242 N -4.00 -0.28 -0.31 1.61 0.01 -0.10 -1.26 114.94 110.62 1ube s ASN 242 Ca 0.00 0.52 -0.23 0.00 -0.71 0.00 0.00 52.86 52.44 1ube s ASN 242 Cb 0.00 0.56 0.00 0.00 0.41 0.00 0.00 41.25 42.22 1ube s ASN 242 CO 0.00 -0.12 0.78 -0.60 -1.51 0.00 0.00 177.10 175.65 1ube s ARG 243 N 0.03 3.96 0.04 -0.60 6.06 -0.68 -0.65 118.95 127.11 1ube s ARG 243 Ca -0.01 0.58 0.03 0.00 -2.50 0.00 0.00 55.73 53.82 1ube s ARG 243 Cb -0.02 -3.73 -0.04 0.00 0.06 0.00 0.00 34.95 31.22 1ube s ARG 243 CO 0.01 -0.67 0.00 0.99 -2.50 0.00 0.00 175.30 173.13 1ube s THR 244 N 2.94 4.11 -0.07 4.11 2.01 0.76 -1.32 115.64 128.18 1ube s THR 244 Ca 0.32 -0.77 0.05 0.00 0.31 0.00 0.00 61.69 61.60 1ube s THR 244 Cb -0.14 -2.89 -0.01 0.00 0.01 0.00 0.00 72.50 69.47 1ube s THR 244 CO 0.12 0.26 -0.24 -0.60 -0.69 0.00 0.00 174.62 173.48 1ube s ARG 245 N -1.90 2.66 -0.06 4.92 3.52 0.05 -0.87 118.95 127.27 1ube s ARG 245 Ca 0.23 -0.86 0.06 0.00 -0.13 0.00 0.00 55.73 55.02 1ube s ARG 245 Cb -0.12 -2.15 -0.01 0.00 -1.56 0.00 0.00 34.95 31.12 1ube s ARG 245 CO 0.14 0.28 -0.23 0.08 -0.81 0.00 0.00 175.30 174.76 1ube s VAL 246 N 0.07 1.92 -0.18 7.11 1.01 0.21 -1.02 120.40 129.53 1ube s VAL 246 Ca -0.10 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 60.90 1ube s VAL 246 Cb -0.15 -1.63 0.02 0.00 0.00 0.00 0.00 36.38 34.61 1ube s VAL 246 CO 0.06 0.54 -0.19 -0.75 0.00 0.00 0.00 175.10 174.75 1ube s LYS 247 N -0.07 3.03 -1.29 2.72 2.20 0.03 -1.57 119.74 124.79 1ube s LYS 247 Ca -0.05 -0.81 -0.14 0.00 -0.36 0.00 0.00 55.97 54.61 1ube s LYS 247 Cb -0.14 -2.59 0.12 0.00 -1.51 0.00 0.00 37.83 33.71 1ube s LYS 247 CO 0.04 -0.18 1.73 1.55 -0.36 0.00 0.00 175.35 178.13 1ube n VAL 248 N 4.56 4.07 -0.02 4.02 3.14 -1.15 -0.53 118.33 132.42 1ube n VAL 248 Ca -0.21 -4.24 0.13 0.00 -2.96 0.00 0.00 64.34 57.06 1ube n VAL 248 Cb 0.50 -2.43 0.55 0.00 -1.06 0.00 0.00 33.84 31.40 1ube n VAL 248 CO 0.00 0.00 0.00 -0.37 -6.46 0.00 0.00 176.83 170.00 1ube h VAL 249 N 4.61 0.88 -3.37 1.55 -1.51 -1.73 0.37 116.25 117.05 1ube h VAL 249 Ca 0.41 -0.10 -0.46 0.00 -1.23 0.00 0.00 66.70 65.32 1ube h VAL 249 Cb 0.78 0.57 -0.35 0.00 -2.13 0.00 0.00 31.29 30.17 1ube h VAL 249 CO 1.48 0.05 -0.79 -0.75 -1.23 0.00 0.00 177.57 176.33 1ube s LYS 250 N -5.28 1.15 -0.20 5.19 2.20 -1.18 -4.58 119.74 117.04 1ube s LYS 250 Ca -0.07 -0.18 -0.04 0.00 -0.36 0.00 0.00 55.97 55.32 1ube s LYS 250 Cb 0.19 -1.14 0.08 0.00 -1.51 0.00 0.00 37.83 35.46 1ube s LYS 250 CO 0.74 -0.12 0.17 1.21 -0.36 0.00 0.00 175.35 176.98 1ube s ASN 251 N 1.14 1.94 0.00 1.43 3.84 -1.26 -1.26 114.94 120.77 1ube s ASN 251 Ca -0.07 -0.49 0.24 0.00 0.21 0.00 0.00 52.86 52.76 1ube s ASN 251 Cb -0.14 0.08 0.25 0.00 -0.55 0.00 0.00 41.25 40.89 1ube s ASN 251 CO -0.01 -0.35 1.30 0.29 -2.79 0.00 0.00 177.10 175.54 1ube n LYS 252 N 5.30 2.36 -0.09 0.43 4.76 -0.31 -4.11 118.16 126.50 1ube n LYS 252 Ca -0.06 -1.99 0.05 0.00 -2.87 0.00 0.00 58.31 53.43 1ube n LYS 252 Cb 0.49 -1.47 0.09 0.00 -1.84 0.00 0.00 35.03 32.30 1ube n LYS 252 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 1ube n VAL 253 N 1.37 0.63 0.00 -0.18 3.14 -1.26 -3.40 118.33 118.63 1ube n VAL 253 Ca 0.15 -0.82 0.00 0.00 -2.96 0.00 0.00 64.34 60.71 1ube n VAL 253 Cb 0.60 0.75 0.00 0.00 -1.06 0.00 0.00 33.84 34.13 1ube n VAL 253 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1ube n SER 254 N 0.40 0.00 -4.75 6.55 3.41 -1.26 -4.89 113.62 113.08 1ube n SER 254 Ca 0.08 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.28 1ube n SER 254 Cb 0.33 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.27 1ube n SER 254 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1ube s PRO 255 N -2.00 4.21 0.00 4.33 0.04 -1.26 -4.61 135.00 135.71 1ube s PRO 255 Ca 0.00 2.42 0.00 0.00 0.04 0.00 0.00 61.00 63.46 1ube s PRO 255 Cb 0.00 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.48 1ube s PRO 255 CO 0.00 -0.48 0.00 -0.35 0.04 0.00 0.00 177.00 176.21 1ube n PRO 256 N 1.86 0.72 0.00 0.56 -0.04 -1.26 -4.53 135.00 132.32 1ube n PRO 256 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1ube n PRO 256 Cb 0.39 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.85 1ube n PRO 256 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1ube n PHE 257 N -1.25 0.00 -1.88 0.54 3.72 0.12 -4.99 117.46 113.73 1ube n PHE 257 Ca 0.00 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.01 1ube n PHE 257 Cb 0.00 -0.21 0.02 0.00 -0.94 0.00 0.00 39.48 38.35 1ube n PHE 257 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1ube s LYS 258 N 0.00 3.50 0.16 -1.08 3.01 -1.26 -4.62 119.74 119.45 1ube s LYS 258 Ca 0.00 2.24 0.04 0.00 -1.01 0.00 0.00 55.97 57.24 1ube s LYS 258 Cb 0.00 -2.48 -0.04 0.00 -1.01 0.00 0.00 37.83 34.30 1ube s LYS 258 CO 0.00 -0.90 -0.09 1.14 0.51 0.00 0.00 175.35 176.01 1ube s GLN 259 N -2.64 1.09 0.04 1.68 -2.07 -1.26 -2.92 119.66 113.58 1ube s GLN 259 Ca 0.65 -1.47 -0.01 0.00 -1.82 0.00 0.00 55.36 52.71 1ube s GLN 259 Cb -0.40 -0.61 -0.03 0.00 -1.09 0.00 0.00 33.01 30.88 1ube s GLN 259 CO 0.49 0.05 -0.02 0.00 -1.32 0.00 0.00 175.29 174.50 1ube s ALA 260 N -3.35 0.31 0.08 2.60 0.00 -0.61 -4.92 121.76 115.88 1ube s ALA 260 Ca 0.18 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.26 1ube s ALA 260 Cb 0.03 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.34 1ube s ALA 260 CO 0.01 -0.29 -0.11 -1.21 0.00 0.00 0.00 175.76 174.16 1ube s GLU 261 N -2.88 0.80 0.32 0.00 2.02 -1.26 0.68 118.70 118.38 1ube s GLU 261 Ca -0.03 -1.04 -0.19 0.00 0.02 0.00 0.00 54.97 53.73 1ube s GLU 261 Cb 0.00 -0.61 0.03 0.00 0.10 0.00 0.00 34.13 33.66 1ube s GLU 261 CO -0.06 0.11 0.75 -0.59 0.02 0.00 0.00 175.26 175.49 1ube s PHE 262 N -1.91 -0.06 0.12 1.61 -0.12 -0.05 -4.83 117.98 112.74 1ube s PHE 262 Ca 0.01 -0.48 0.05 0.00 -0.05 0.00 0.00 56.93 56.46 1ube s PHE 262 Cb -0.06 0.76 -0.04 0.00 -0.63 0.00 0.00 43.02 43.05 1ube s PHE 262 CO 0.01 -1.38 0.04 -0.51 -0.05 0.00 0.00 175.22 173.34 1ube s ASP 263 N -2.98 5.16 -0.29 1.98 1.01 -1.26 -0.17 116.67 120.12 1ube s ASP 263 Ca 0.13 -0.18 -0.00 0.00 0.71 0.00 0.00 52.55 53.20 1ube s ASP 263 Cb -0.06 -1.26 0.09 0.00 1.01 0.00 0.00 42.92 42.70 1ube s ASP 263 CO 0.09 0.13 0.06 -0.63 0.21 0.00 0.00 175.17 175.04 1ube s ILE 264 N -1.50 1.12 0.01 0.77 1.01 0.18 -1.98 121.20 120.81 1ube s ILE 264 Ca 0.28 -1.41 -0.30 0.00 0.00 0.00 0.00 60.65 59.21 1ube s ILE 264 Cb -0.11 -1.76 -0.06 0.00 0.01 0.00 0.00 42.46 40.55 1ube s ILE 264 CO 0.20 -0.54 1.38 -0.76 0.00 0.00 0.00 174.94 175.23 1ube s LEU 265 N 1.51 4.32 -0.43 2.97 2.01 -0.39 -0.92 118.68 127.75 1ube s LEU 265 Ca 0.07 2.11 -0.43 0.00 0.01 0.00 0.00 54.13 55.88 1ube s LEU 265 Cb -0.18 -3.56 -0.18 0.00 0.01 0.00 0.00 46.19 42.28 1ube s LEU 265 CO -0.18 -0.70 1.85 0.00 1.01 0.00 0.00 176.35 178.33 1ube n TYR 266 N 5.20 1.64 -3.53 0.29 -0.00 0.43 -1.52 117.16 119.66 1ube n TYR 266 Ca 0.13 0.81 -0.19 0.00 -0.00 0.00 0.00 57.90 58.65 1ube n TYR 266 Cb 0.44 -2.33 0.01 0.00 -0.00 0.00 0.00 39.34 37.46 1ube n TYR 266 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1ube n GLY 267 N 5.32 -1.19 0.00 -7.48 0.00 -1.26 -4.75 105.19 95.82 1ube n GLY 267 Ca 0.38 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.92 1ube n GLY 267 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ube n GLN 268 N -2.83 0.00 0.00 1.61 7.27 -0.58 -5.08 117.38 117.77 1ube n GLN 268 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.92 1ube n GLN 268 Cb 0.60 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.25 1ube n GLN 268 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ube n GLY 269 N -0.08 -2.11 3.59 1.69 0.00 -0.88 -4.68 105.19 102.72 1ube n GLY 269 Ca 0.00 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.67 1ube n GLY 269 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ube s ILE 270 N -0.16 3.28 -0.43 -0.61 1.01 -1.25 -1.27 121.20 121.78 1ube s ILE 270 Ca 0.00 0.28 -0.27 0.00 0.00 0.00 0.00 60.65 60.65 1ube s ILE 270 Cb 0.00 -3.41 -0.07 0.00 0.01 0.00 0.00 42.46 38.99 1ube s ILE 270 CO 0.00 -0.28 2.37 -0.24 0.00 0.00 0.00 174.94 176.78 1ube n SER 271 N 11.31 2.50 0.00 3.58 2.88 -0.84 -4.85 113.62 128.20 1ube n SER 271 Ca 0.26 -0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1ube n SER 271 Cb 0.47 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.39 1ube n SER 271 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1ube n ARG 272 N 8.89 0.00 -0.16 -1.46 0.63 -1.26 -1.32 116.66 121.98 1ube n ARG 272 Ca 0.36 0.57 -0.04 0.00 -0.92 0.00 0.00 57.85 57.82 1ube n ARG 272 Cb 0.49 -1.33 -0.04 0.00 0.45 0.00 0.00 32.46 32.03 1ube n ARG 272 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1ube n GLU 273 N -1.87 -0.17 -0.39 -0.14 4.71 -1.26 0.13 120.64 121.64 1ube n GLU 273 Ca 0.00 1.05 0.32 0.00 -0.01 0.00 0.00 57.16 58.51 1ube n GLU 273 Cb 0.00 -1.55 0.61 0.00 -1.01 0.00 0.00 31.44 29.49 1ube n GLU 273 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 1ube h GLY 274 N 0.00 1.09 2.00 0.62 0.00 -1.89 2.66 103.07 107.56 1ube h GLY 274 Ca 0.06 -0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.19 1ube h GLY 274 CO -0.36 -0.24 -0.32 0.23 0.00 0.00 0.00 176.54 175.85 1ube h SER 275 N 0.20 0.00 0.03 0.19 0.87 0.23 -2.92 113.55 112.15 1ube h SER 275 Ca 0.71 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 61.10 1ube h SER 275 Cb 2.16 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 64.14 1ube h SER 275 CO -0.32 0.32 -0.70 -0.07 -0.53 0.00 0.00 176.83 175.53 1ube h LEU 276 N 0.00 0.56 0.04 2.23 -0.00 0.54 -2.11 115.31 116.57 1ube h LEU 276 Ca -0.00 -0.80 0.00 0.00 -0.00 0.00 0.00 57.88 57.08 1ube h LEU 276 Cb 0.60 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 41.07 1ube h LEU 276 CO 0.04 1.29 -0.16 0.40 -0.00 0.00 0.00 178.44 180.02 1ube h ILE 277 N -0.11 0.00 0.00 1.22 2.04 -1.11 3.14 117.51 122.69 1ube h ILE 277 Ca -0.10 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1ube h ILE 277 Cb 1.43 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1ube h ILE 277 CO 0.14 0.00 0.00 0.47 0.00 0.00 0.00 178.15 178.76 1ube n ASP 278 N -3.35 0.00 -0.19 1.72 8.00 -1.11 0.10 116.55 121.71 1ube n ASP 278 Ca -0.03 1.00 0.23 0.00 0.71 0.00 0.00 54.79 56.70 1ube n ASP 278 Cb 0.12 -0.50 0.61 0.00 -0.02 0.00 0.00 41.12 41.34 1ube n ASP 278 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1ube h MET 279 N 0.00 0.20 0.00 -1.24 2.86 -1.27 -0.38 114.93 115.09 1ube h MET 279 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1ube h MET 279 Cb 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.62 1ube h MET 279 CO 0.00 0.13 0.00 0.41 1.06 0.00 0.00 176.91 178.51 1ube n GLY 280 N -1.61 -1.39 0.02 8.32 0.00 1.05 -3.28 105.19 108.30 1ube n GLY 280 Ca 0.18 0.03 0.01 0.00 0.00 0.00 0.00 46.02 46.24 1ube n GLY 280 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ube n VAL 281 N -2.14 0.22 1.86 1.61 0.24 0.02 0.26 118.33 120.40 1ube n VAL 281 Ca 0.03 -0.23 0.05 0.00 -2.04 0.00 0.00 64.34 62.16 1ube n VAL 281 Cb 0.29 -0.18 0.32 0.00 -1.47 0.00 0.00 33.84 32.80 1ube n VAL 281 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1ube n GLU 282 N -1.99 0.93 0.00 7.34 2.13 -0.62 -1.29 120.64 127.14 1ube n GLU 282 Ca -0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.76 1ube n GLU 282 Cb 0.44 -1.18 0.00 0.00 0.27 0.00 0.00 31.44 30.97 1ube n GLU 282 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1ube n HIS 283 N -0.68 0.00 -0.89 4.31 8.25 -1.20 -5.05 115.22 119.96 1ube n HIS 283 Ca 0.08 -0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1ube n HIS 283 Cb 0.04 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.14 1ube n HIS 283 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ube n GLY 284 N -0.04 0.47 0.00 -1.41 0.00 -0.41 -4.86 105.19 98.93 1ube n GLY 284 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1ube n GLY 284 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ube n PHE 285 N -2.27 0.00 -3.99 1.61 0.99 0.51 -4.55 117.46 109.76 1ube n PHE 285 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.45 57.27 1ube n PHE 285 Cb 0.09 -0.06 -0.16 0.00 -1.00 0.00 0.00 39.48 38.34 1ube n PHE 285 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 1ube s ILE 286 N -2.13 0.30 -0.09 4.37 1.01 0.14 -4.25 121.20 120.55 1ube s ILE 286 Ca 0.35 0.02 -0.02 0.00 0.00 0.00 0.00 60.65 61.00 1ube s ILE 286 Cb 0.17 -0.38 -0.03 0.00 0.01 0.00 0.00 42.46 42.23 1ube s ILE 286 CO 0.31 0.18 -0.01 -0.13 0.00 0.00 0.00 174.94 175.28 1ube s ARG 287 N 1.04 3.05 -0.50 2.79 0.52 0.87 -4.39 118.95 122.34 1ube s ARG 287 Ca -0.09 -0.44 -0.14 0.00 -0.52 0.00 0.00 55.73 54.54 1ube s ARG 287 Cb -0.14 -2.79 0.11 0.00 0.52 0.00 0.00 34.95 32.65 1ube s ARG 287 CO -0.01 0.63 0.42 -1.59 0.02 0.00 0.00 175.30 174.77 1ube s LYS 288 N -0.69 2.83 -0.38 3.54 0.00 -1.26 -0.84 119.74 122.93 1ube s LYS 288 Ca 0.11 -1.62 0.01 0.00 0.00 0.00 0.00 55.97 54.48 1ube s LYS 288 Cb -0.12 -4.12 0.43 0.00 0.00 0.00 0.00 37.83 34.02 1ube s LYS 288 CO 0.02 -1.19 1.79 -1.13 0.00 0.00 0.00 175.35 174.84 1ube n SER 289 N 5.13 4.76 0.00 0.03 3.41 -0.96 -4.74 113.62 121.25 1ube n SER 289 Ca -0.12 -3.25 0.00 0.00 -0.26 0.00 0.00 58.87 55.24 1ube n SER 289 Cb 0.41 -0.84 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 1ube n SER 289 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ube n GLY 290 N -0.54 0.81 3.13 5.00 0.00 -1.26 -4.57 105.19 107.76 1ube n GLY 290 Ca 0.44 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1ube n GLY 290 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ube n SER 291 N 0.00 0.00 -4.36 1.61 7.64 -1.26 -4.97 113.62 112.28 1ube n SER 291 Ca 0.00 0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.43 1ube n SER 291 Cb 0.00 -0.12 -0.06 0.00 -1.01 0.00 0.00 64.21 63.02 1ube n SER 291 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1ube s TRP 292 N -3.01 3.20 -0.07 1.43 0.52 -1.26 -1.43 118.94 118.33 1ube s TRP 292 Ca 0.00 -1.02 -0.30 0.00 0.02 0.00 0.00 56.10 54.80 1ube s TRP 292 Cb 0.00 -3.51 -0.03 0.00 -1.15 0.00 0.00 33.47 28.78 1ube s TRP 292 CO 0.00 -0.95 1.15 -0.06 0.02 0.00 0.00 176.95 177.12 1ube s PHE 293 N 1.82 3.27 -0.02 -1.98 0.08 -0.45 -2.28 117.98 118.42 1ube s PHE 293 Ca 0.05 1.31 0.04 0.00 0.12 0.00 0.00 56.93 58.45 1ube s PHE 293 Cb -0.26 -3.36 -0.01 0.00 -0.57 0.00 0.00 43.02 38.82 1ube s PHE 293 CO 0.06 -1.04 -0.13 -0.08 -0.10 0.00 0.00 175.22 173.92 1ube s THR 294 N 2.18 1.08 -0.50 0.64 -1.32 -0.02 -0.14 115.64 117.55 1ube s THR 294 Ca 0.54 -0.56 -0.11 0.00 -1.21 0.00 0.00 61.69 60.35 1ube s THR 294 Cb -0.23 -0.92 0.13 0.00 -1.51 0.00 0.00 72.50 69.97 1ube s THR 294 CO 0.21 0.31 0.40 -0.47 -2.21 0.00 0.00 174.62 172.86 1ube s TYR 295 N -0.15 3.39 0.00 9.09 5.04 0.15 -0.09 117.35 134.79 1ube s TYR 295 Ca 0.02 -1.73 0.00 0.00 -2.44 0.00 0.00 57.07 52.92 1ube s TYR 295 Cb -0.07 -3.59 0.00 0.00 0.35 0.00 0.00 41.96 38.65 1ube s TYR 295 CO 0.00 -1.00 0.00 -0.85 -1.34 0.00 0.00 175.55 172.36 1ube n GLU 296 N 4.95 -0.21 0.00 4.97 0.28 -1.26 -2.93 120.64 126.44 1ube n GLU 296 Ca -0.09 0.46 0.00 0.00 -0.16 0.00 0.00 57.16 57.37 1ube n GLU 296 Cb 0.41 -0.54 0.00 0.00 1.43 0.00 0.00 31.44 32.74 1ube n GLU 296 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ube n GLY 297 N 1.05 2.09 3.79 -1.84 0.00 -1.26 -4.96 105.19 104.05 1ube n GLY 297 Ca 0.00 -0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 1ube n GLY 297 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ube s GLU 298 N 0.00 4.53 0.59 1.61 4.04 -1.15 -5.03 118.70 123.29 1ube s GLU 298 Ca 0.00 1.26 -0.12 0.00 0.04 0.00 0.00 54.97 56.15 1ube s GLU 298 Cb 0.00 -2.82 -0.05 0.00 0.02 0.00 0.00 34.13 31.28 1ube s GLU 298 CO 0.00 0.30 1.00 1.14 -1.84 0.00 0.00 175.26 175.87 1ube s GLN 299 N -2.02 3.66 -0.13 -4.83 -2.07 -1.26 0.34 119.66 113.34 1ube s GLN 299 Ca 0.49 0.75 -0.06 0.00 -1.82 0.00 0.00 55.36 54.71 1ube s GLN 299 Cb -0.18 -2.11 -0.06 0.00 -1.09 0.00 0.00 33.01 29.56 1ube s GLN 299 CO 0.23 -0.49 -0.17 1.28 -1.32 0.00 0.00 175.29 174.83 1ube n LEU 300 N -2.50 1.07 0.00 2.60 7.99 0.80 -4.74 117.00 122.22 1ube n LEU 300 Ca 0.06 0.15 0.00 0.00 -0.01 0.00 0.00 56.01 56.21 1ube n LEU 300 Cb 0.54 -0.40 0.00 0.00 -0.11 0.00 0.00 43.42 43.45 1ube n LEU 300 CO 0.56 0.31 0.00 0.61 -1.51 0.00 0.00 177.39 177.35 1ube n GLY 301 N 2.20 -1.39 3.04 -0.72 0.00 -1.11 -4.63 105.19 102.57 1ube n GLY 301 Ca -0.26 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.43 1ube n GLY 301 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ube s GLN 302 N -1.45 2.06 0.00 1.61 0.74 -1.26 -1.34 119.66 120.01 1ube s GLN 302 Ca 0.00 -1.28 0.00 0.00 0.05 0.00 0.00 55.36 54.13 1ube s GLN 302 Cb 0.00 -2.83 0.00 0.00 1.10 0.00 0.00 33.01 31.28 1ube s GLN 302 CO 0.00 -0.59 0.00 0.41 -0.55 0.00 0.00 175.29 174.56 1ube n GLY 303 N 4.48 1.94 0.27 2.59 0.00 -0.51 -4.56 105.19 109.41 1ube n GLY 303 Ca -0.13 -1.08 0.20 0.00 0.00 0.00 0.00 46.02 45.01 1ube n GLY 303 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ube n LYS 304 N 1.73 -0.06 0.22 1.61 4.81 -1.26 0.18 118.16 125.40 1ube n LYS 304 Ca 0.00 1.18 0.09 0.00 -0.87 0.00 0.00 58.31 58.71 1ube n LYS 304 Cb 0.00 -2.00 0.46 0.00 0.02 0.00 0.00 35.03 33.50 1ube n LYS 304 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1ube h GLU 305 N 0.00 0.00 0.10 1.64 4.57 -1.98 0.21 114.58 119.11 1ube h GLU 305 Ca 0.61 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 58.58 1ube h GLU 305 Cb 1.49 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 30.10 1ube h GLU 305 CO -0.69 0.24 -0.87 -0.97 -1.18 0.00 0.00 179.01 175.54 1ube h ASN 306 N 0.00 0.60 -0.15 1.04 -1.24 0.17 -1.83 115.58 114.17 1ube h ASN 306 Ca -0.00 -0.86 -0.09 0.00 0.71 0.00 0.00 56.30 56.06 1ube h ASN 306 Cb 0.74 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 39.59 1ube h ASN 306 CO 0.03 1.40 -0.18 0.00 -1.29 0.00 0.00 177.43 177.39 1ube h ALA 307 N 0.21 1.11 0.26 1.57 0.00 -1.31 0.66 119.26 121.76 1ube h ALA 307 Ca -0.14 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.46 1ube h ALA 307 Cb 1.62 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 1ube h ALA 307 CO 0.17 0.55 -0.39 0.07 0.00 0.00 0.00 179.25 179.65 1ube h ARG 308 N 0.50 -0.69 -0.70 0.00 -0.00 -0.93 0.22 114.38 112.79 1ube h ARG 308 Ca 0.08 0.05 0.12 0.00 -0.00 0.00 0.00 59.98 60.23 1ube h ARG 308 Cb 0.60 0.16 -0.13 0.00 -0.00 0.00 0.00 29.97 30.60 1ube h ARG 308 CO 0.04 -0.46 -0.32 0.87 -0.00 0.00 0.00 179.97 180.10 1ube h LYS 309 N -0.71 -0.10 -0.08 0.08 1.57 -0.39 0.80 116.57 117.74 1ube h LYS 309 Ca -0.00 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1ube h LYS 309 Cb 0.69 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.96 1ube h LYS 309 CO -0.15 -0.07 -0.33 0.35 -0.57 0.00 0.00 179.45 178.68 1ube h PHE 310 N -0.11 -0.93 -0.62 -1.35 3.57 0.27 -0.03 116.94 117.75 1ube h PHE 310 Ca 0.28 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.85 1ube h PHE 310 Cb 0.56 0.42 -0.04 0.00 2.79 0.00 0.00 35.95 39.69 1ube h PHE 310 CO -0.68 -0.42 0.41 -0.07 -2.23 0.00 0.00 178.31 175.32 1ube h LEU 311 N -0.44 0.60 0.36 0.59 3.38 0.22 -1.18 115.31 118.84 1ube h LEU 311 Ca 0.08 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1ube h LEU 311 Cb 0.56 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1ube h LEU 311 CO -0.32 0.41 -0.42 -0.07 0.09 0.00 0.00 178.44 178.12 1ube h LEU 312 N 0.69 -1.18 -0.46 1.67 3.38 0.23 -2.76 115.31 116.89 1ube h LEU 312 Ca 0.25 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1ube h LEU 312 Cb 0.14 0.40 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1ube h LEU 312 CO -0.07 -0.56 0.00 -1.84 0.09 0.00 0.00 178.44 176.06 1ube n GLU 313 N -5.50 1.31 -3.77 1.13 0.28 -0.72 -4.44 120.64 108.92 1ube n GLU 313 Ca -0.10 -0.46 -0.29 0.00 -0.16 0.00 0.00 57.16 56.15 1ube n GLU 313 Cb 0.40 -1.34 -0.13 0.00 1.43 0.00 0.00 31.44 31.81 1ube n GLU 313 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1ube s ASN 314 N -1.59 3.83 0.08 -1.84 0.01 -0.47 -4.96 114.94 110.00 1ube s ASN 314 Ca 0.30 -3.00 -0.16 0.00 -0.71 0.00 0.00 52.86 49.28 1ube s ASN 314 Cb 0.15 -1.24 -0.12 0.00 0.41 0.00 0.00 41.25 40.45 1ube s ASN 314 CO 0.24 -0.21 1.36 0.74 -1.51 0.00 0.00 177.10 177.71 1ube h THR 315 N 5.08 1.32 -0.02 1.60 2.02 -1.78 -2.59 112.91 118.55 1ube h THR 315 Ca 0.03 -1.54 0.00 0.00 0.77 0.00 0.00 66.41 65.68 1ube h THR 315 Cb 0.88 1.79 -0.01 0.00 -1.74 0.00 0.00 68.15 69.08 1ube h THR 315 CO 0.57 0.48 -0.05 -2.24 0.37 0.00 0.00 175.52 174.65 1ube h ASP 316 N 0.29 -0.15 -0.59 4.18 2.03 -1.93 0.60 116.42 120.85 1ube h ASP 316 Ca 0.02 0.02 0.12 0.00 -0.73 0.00 0.00 57.03 56.46 1ube h ASP 316 Cb 0.91 0.06 -0.09 0.00 -0.83 0.00 0.00 39.33 39.38 1ube h ASP 316 CO 0.08 -0.04 0.05 1.62 -1.03 0.00 0.00 179.24 179.91 1ube h VAL 317 N -0.05 0.56 -0.11 4.15 3.04 -1.97 -2.39 116.25 119.48 1ube h VAL 317 Ca 0.00 -0.06 0.01 0.00 -1.01 0.00 0.00 66.70 65.65 1ube h VAL 317 Cb 0.06 0.38 -0.02 0.00 -2.01 0.00 0.00 31.29 29.69 1ube h VAL 317 CO -0.04 0.03 -0.14 0.00 -1.01 0.00 0.00 177.57 176.41 1ube h ALA 318 N 1.52 -0.40 -0.40 3.17 0.00 -0.88 0.63 119.26 122.89 1ube h ALA 318 Ca 0.31 0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.34 1ube h ALA 318 Cb 0.49 0.83 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1ube h ALA 318 CO -0.47 -0.47 0.58 -0.91 0.00 0.00 0.00 179.25 177.98 1ube h ASN 319 N -0.10 0.00 0.14 0.00 -0.26 0.60 0.00 115.58 115.97 1ube h ASN 319 Ca 0.02 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.75 1ube h ASN 319 Cb 0.15 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.41 1ube h ASN 319 CO -0.16 0.00 -0.07 -0.08 -1.06 0.00 0.00 177.43 176.07 1ube h GLU 320 N 0.00 -0.19 0.28 0.81 4.81 -0.41 0.47 114.58 120.35 1ube h GLU 320 Ca 0.19 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1ube h GLU 320 Cb 1.35 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.74 1ube h GLU 320 CO -0.00 0.25 -0.41 0.82 -0.73 0.00 0.00 179.01 178.94 1ube h ILE 321 N -0.75 0.18 -0.60 2.32 5.03 -0.45 0.99 117.51 124.23 1ube h ILE 321 Ca -0.02 0.00 0.12 0.00 -0.12 0.00 0.00 64.86 64.84 1ube h ILE 321 Cb 0.53 0.18 -0.11 0.00 -3.03 0.00 0.00 36.82 34.38 1ube h ILE 321 CO 0.03 0.00 -0.16 -0.08 -0.68 0.00 0.00 178.15 177.26 1ube h GLU 322 N -0.75 -0.01 0.52 2.37 4.81 -1.35 2.30 114.58 122.48 1ube h GLU 322 Ca -0.01 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1ube h GLU 322 Cb 0.71 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 1ube h GLU 322 CO -0.14 -0.01 -0.44 -0.22 -0.73 0.00 0.00 179.01 177.47 1ube h LYS 323 N -0.01 -0.91 -0.86 1.92 3.64 0.11 1.13 116.57 121.59 1ube h LYS 323 Ca 0.29 0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.77 1ube h LYS 323 Cb 0.45 0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 32.42 1ube h LYS 323 CO -0.63 -0.61 0.54 0.87 -2.27 0.00 0.00 179.45 177.36 1ube h LYS 324 N -0.94 1.01 -0.50 1.90 1.57 0.21 0.22 116.57 120.03 1ube h LYS 324 Ca -0.07 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1ube h LYS 324 Cb 0.80 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 1ube h LYS 324 CO -0.01 0.67 0.33 0.82 -0.57 0.00 0.00 179.45 180.69 1ube h ILE 325 N 1.04 1.12 0.00 1.86 1.08 0.41 0.11 117.51 123.13 1ube h ILE 325 Ca 0.35 -0.23 -0.02 0.00 -0.39 0.00 0.00 64.86 64.57 1ube h ILE 325 Cb 0.07 0.39 -0.00 0.00 -3.07 0.00 0.00 36.82 34.20 1ube h ILE 325 CO -0.14 0.12 -0.11 0.11 -0.69 0.00 0.00 178.15 177.45 1ube h LYS 326 N 0.68 0.00 0.00 2.37 1.57 0.32 -2.65 116.57 118.86 1ube h LYS 326 Ca 0.19 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.83 1ube h LYS 326 Cb -0.07 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1ube h LYS 326 CO -0.04 0.11 -1.38 0.39 -0.57 0.00 0.00 179.45 177.95 1ube n GLU 327 N -3.53 0.62 0.00 3.15 1.02 0.59 -2.56 120.64 119.92 1ube n GLU 327 Ca -0.02 0.19 0.07 0.00 -0.02 0.00 0.00 57.16 57.38 1ube n GLU 327 Cb 0.24 -1.80 0.33 0.00 -0.02 0.00 0.00 31.44 30.20 1ube n GLU 327 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1ube n LYS 328 N -2.83 0.04 0.02 3.49 3.00 0.29 -4.45 118.16 117.71 1ube n LYS 328 Ca -0.08 0.22 0.00 0.00 -0.00 0.00 0.00 58.31 58.45 1ube n LYS 328 Cb 0.79 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 34.32 1ube n LYS 328 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1ube n LEU 329 N -1.47 0.10 0.00 3.14 4.77 -1.21 -5.10 117.00 117.24 1ube n LEU 329 Ca 0.04 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1ube n LEU 329 Cb 0.17 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1ube n LEU 329 CO 0.14 -0.55 0.00 0.61 -1.33 0.00 0.00 177.39 176.26