#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bcu s VAL 17 N 0.00 5.02 -1.12 1.39 1.01 0.13 -4.07 120.40 122.76 1bcu s VAL 17 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1bcu s VAL 17 Cb 0.00 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1bcu s VAL 17 CO 0.00 0.41 0.00 -0.62 0.00 0.00 0.00 175.10 174.89 1bcu n GLU 18 N 3.87 -1.05 -0.91 2.72 -0.58 -1.26 -2.26 120.64 121.16 1bcu n GLU 18 Ca -0.16 0.64 0.00 0.00 -0.42 0.00 0.00 57.16 57.22 1bcu n GLU 18 Cb 0.52 -4.86 0.00 0.00 -0.57 0.00 0.00 31.44 26.53 1bcu n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1bcu n GLY 19 N -1.01 2.30 3.34 0.62 0.00 -1.26 -4.71 105.19 104.47 1bcu n GLY 19 Ca -0.16 -2.12 -0.18 0.00 0.00 0.00 0.00 46.02 43.57 1bcu n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bcu s SER 20 N -0.95 1.39 0.23 1.61 1.04 -0.50 -4.90 113.70 111.63 1bcu s SER 20 Ca 0.00 -1.44 -0.30 0.00 0.48 0.00 0.00 55.95 54.69 1bcu s SER 20 Cb 0.00 0.22 -0.10 0.00 0.10 0.00 0.00 66.02 66.24 1bcu s SER 20 CO 0.00 -0.77 1.47 -1.81 0.98 0.00 0.00 173.24 173.11 1bcu s ASP 21 N -3.35 6.63 0.55 7.02 1.11 -1.26 -0.64 116.67 126.74 1bcu s ASP 21 Ca 0.37 2.66 -0.18 0.00 0.18 0.00 0.00 52.55 55.58 1bcu s ASP 21 Cb 0.07 -2.62 -0.05 0.00 1.07 0.00 0.00 42.92 41.39 1bcu s ASP 21 CO 0.15 -0.73 1.07 0.00 1.18 0.00 0.00 175.17 176.83 1bcu s ALA 22 N 0.27 2.75 0.55 5.23 0.00 0.80 -4.79 121.76 126.57 1bcu s ALA 22 Ca 0.62 0.56 -0.13 0.00 0.00 0.00 0.00 51.96 53.02 1bcu s ALA 22 Cb -0.42 -3.27 -0.06 0.00 0.00 0.00 0.00 23.12 19.37 1bcu s ALA 22 CO 0.41 -0.68 0.98 -1.21 0.00 0.00 0.00 175.76 175.25 1bcu s GLU 23 N -3.64 3.74 0.23 0.00 2.02 -1.26 -4.91 118.70 114.87 1bcu s GLU 23 Ca 0.67 0.76 -0.31 0.00 0.02 0.00 0.00 54.97 56.12 1bcu s GLU 23 Cb -0.18 -2.15 -0.10 0.00 0.10 0.00 0.00 34.13 31.80 1bcu s GLU 23 CO 0.30 -0.39 1.54 0.42 0.02 0.00 0.00 175.26 177.14 1bcu s ILE 24 N -2.88 2.47 0.00 -1.63 1.01 -1.26 -1.96 121.20 116.94 1bcu s ILE 24 Ca 0.56 0.37 0.00 0.00 0.00 0.00 0.00 60.65 61.57 1bcu s ILE 24 Cb -0.10 -3.23 0.00 0.00 0.01 0.00 0.00 42.46 39.13 1bcu s ILE 24 CO 0.43 0.05 0.00 0.61 0.00 0.00 0.00 174.94 176.03 1bcu n GLY 25 N 2.88 0.38 0.16 6.18 0.00 -1.26 -4.89 105.19 108.64 1bcu n GLY 25 Ca 0.10 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.13 1bcu n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1bcu h MET 26 N 0.87 0.00 -2.01 1.61 -1.53 -1.77 -3.34 114.93 108.77 1bcu h MET 26 Ca 0.00 0.00 -0.55 0.00 -3.44 0.00 0.00 59.70 55.71 1bcu h MET 26 Cb 0.29 0.00 -0.39 0.00 -0.55 0.00 0.00 31.60 30.94 1bcu h MET 26 CO 0.00 0.48 -1.10 0.45 0.14 0.00 0.00 176.91 176.88 1bcu n SER 27 N -3.95 0.42 0.00 1.39 2.88 -1.26 -4.97 113.62 108.13 1bcu n SER 27 Ca -0.02 -2.77 0.04 0.00 -1.33 0.00 0.00 58.87 54.79 1bcu n SER 27 Cb 0.50 -0.64 0.16 0.00 -0.75 0.00 0.00 64.21 63.48 1bcu n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1bcu n PRO 28 N 1.24 0.02 0.00 -1.46 -0.04 -1.25 -1.04 135.00 132.46 1bcu n PRO 28 Ca 0.22 0.35 0.12 0.00 -0.04 0.00 0.00 63.50 64.15 1bcu n PRO 28 Cb 0.54 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.77 1bcu n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1bcu n TRP 29 N -1.46 0.00 -1.97 0.54 2.14 -1.00 -1.94 117.44 113.75 1bcu n TRP 29 Ca 0.02 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.17 1bcu n TRP 29 Cb 0.08 -0.11 -0.03 0.00 -0.81 0.00 0.00 31.31 30.44 1bcu n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1bcu s GLN 30 N -2.57 4.22 0.05 -2.67 2.00 -0.21 -0.47 119.66 120.02 1bcu s GLN 30 Ca 0.21 2.30 0.09 0.00 -2.00 0.00 0.00 55.36 55.96 1bcu s GLN 30 Cb 0.19 -3.33 -0.03 0.00 0.80 0.00 0.00 33.01 30.63 1bcu s GLN 30 CO 0.57 -0.63 -0.26 0.08 -0.50 0.00 0.00 175.29 174.55 1bcu s VAL 31 N 1.70 2.07 -0.19 1.34 1.01 0.18 -4.08 120.40 122.44 1bcu s VAL 31 Ca 0.71 -1.38 -0.06 0.00 0.00 0.00 0.00 61.98 61.24 1bcu s VAL 31 Cb -0.41 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 1bcu s VAL 31 CO 0.31 0.33 0.03 -0.32 0.00 0.00 0.00 175.10 175.45 1bcu s MET 32 N -1.27 3.75 -0.24 2.72 1.75 -0.05 -1.35 119.30 124.60 1bcu s MET 32 Ca 0.11 -0.46 -0.21 0.00 -1.25 0.00 0.00 55.69 53.89 1bcu s MET 32 Cb -0.10 -3.14 -0.02 0.00 2.84 0.00 0.00 34.83 34.42 1bcu s MET 32 CO 0.02 0.10 0.64 -0.51 -0.65 0.00 0.00 175.02 174.63 1bcu s LEU 33 N 0.79 4.08 -0.11 4.11 1.02 -0.05 -1.14 118.68 127.38 1bcu s LEU 33 Ca 0.02 0.76 0.02 0.00 0.02 0.00 0.00 54.13 54.94 1bcu s LEU 33 Cb -0.14 -2.88 0.01 0.00 0.02 0.00 0.00 46.19 43.21 1bcu s LEU 33 CO 0.02 -0.35 -0.16 0.12 0.02 0.00 0.00 176.35 176.00 1bcu s PHE 34 N 2.38 2.06 0.20 0.29 5.36 0.16 -0.84 117.98 127.59 1bcu s PHE 34 Ca 0.27 -0.99 -0.30 0.00 -0.96 0.00 0.00 56.93 54.95 1bcu s PHE 34 Cb -0.16 -1.48 -0.08 0.00 -0.34 0.00 0.00 43.02 40.97 1bcu s PHE 34 CO 0.09 -0.51 1.00 0.50 -1.46 0.00 0.00 175.22 174.84 1bcu s ARG 35 N 1.01 4.74 0.01 10.12 3.52 0.20 -0.44 118.95 138.12 1bcu s ARG 35 Ca -0.06 1.57 -0.20 0.00 -0.13 0.00 0.00 55.73 56.91 1bcu s ARG 35 Cb -0.15 -3.29 -0.20 0.00 -1.56 0.00 0.00 34.95 29.76 1bcu s ARG 35 CO -0.02 0.32 1.18 0.87 -0.81 0.00 0.00 175.30 176.84 1bcu h LYS 36 N 4.62 0.39 -2.58 5.12 1.57 -1.80 -3.08 116.57 120.81 1bcu h LYS 36 Ca -0.45 -0.33 -0.29 0.00 -1.87 0.00 0.00 60.65 57.71 1bcu h LYS 36 Cb 1.21 0.07 -0.35 0.00 0.08 0.00 0.00 32.23 33.24 1bcu h LYS 36 CO 0.70 0.97 -0.60 -1.12 -0.57 0.00 0.00 179.45 178.82 1bcu s SER 36 N -6.50 1.10 0.57 0.86 0.01 -1.26 -3.42 113.70 105.06 1bcu s SER 36 Ca -0.14 -0.03 -0.15 0.00 1.31 0.00 0.00 55.95 56.94 1bcu s SER 36 Cb 0.04 0.47 -0.05 0.00 0.21 0.00 0.00 66.02 66.68 1bcu s SER 36 CO 0.79 -0.31 1.02 -2.16 0.41 0.00 0.00 173.24 173.00 1bcu s PRO 37 N 2.35 3.60 -0.25 12.44 0.04 -1.26 -5.06 135.00 146.86 1bcu s PRO 37 Ca 0.06 1.03 -0.28 0.00 0.04 0.00 0.00 61.00 61.85 1bcu s PRO 37 Cb -0.15 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 1bcu s PRO 37 CO -0.11 -0.57 2.03 -0.65 0.04 0.00 0.00 177.00 177.74 1bcu s GLN 38 N -4.25 3.27 0.01 4.56 1.11 -1.22 -4.64 119.66 118.51 1bcu s GLN 38 Ca 0.60 1.82 -0.22 0.00 0.01 0.00 0.00 55.36 57.57 1bcu s GLN 38 Cb -0.13 -4.29 0.05 0.00 -1.01 0.00 0.00 33.01 27.63 1bcu s GLN 38 CO 0.37 -1.94 0.50 -1.83 0.01 0.00 0.00 175.29 172.40 1bcu s GLU 39 N 5.96 0.95 -0.05 2.91 -1.05 -1.16 -4.98 118.70 121.27 1bcu s GLU 39 Ca 0.91 -0.13 -0.30 0.00 -0.15 0.00 0.00 54.97 55.30 1bcu s GLU 39 Cb -0.29 0.43 -0.04 0.00 -0.44 0.00 0.00 34.13 33.79 1bcu s GLU 39 CO 0.35 -0.32 1.30 -1.17 0.95 0.00 0.00 175.26 176.37 1bcu s LEU 40 N -1.67 4.28 -0.24 1.83 2.96 -1.26 -0.63 118.68 123.95 1bcu s LEU 40 Ca -0.08 1.92 -0.18 0.00 -0.22 0.00 0.00 54.13 55.56 1bcu s LEU 40 Cb -0.01 -3.56 -0.16 0.00 0.50 0.00 0.00 46.19 42.96 1bcu s LEU 40 CO 0.02 -0.67 -0.02 0.18 -1.32 0.00 0.00 176.35 174.55 1bcu n LEU 41 N 5.52 1.91 -3.82 -0.68 4.77 -0.02 -4.92 117.00 119.77 1bcu n LEU 41 Ca 0.12 0.38 -0.04 0.00 -0.03 0.00 0.00 56.01 56.45 1bcu n LEU 41 Cb 0.45 -0.91 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 1bcu n LEU 41 CO 0.57 0.41 0.72 0.00 -1.33 0.00 0.00 177.39 177.75 1bcu s GLY 43 N -3.14 1.77 0.13 0.00 0.00 0.96 -0.87 107.32 106.16 1bcu s GLY 43 Ca 0.16 -1.80 -0.24 0.00 0.00 0.00 0.00 44.72 42.84 1bcu s GLY 43 CO 0.05 -1.31 1.09 0.00 0.00 0.00 0.00 173.10 172.93 1bcu s ALA 44 N -2.93 -1.80 0.03 3.20 0.00 -0.46 -3.62 121.76 116.17 1bcu s ALA 44 Ca 0.64 -0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.51 1bcu s ALA 44 Cb -0.06 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.75 1bcu s ALA 44 CO 0.42 -1.07 -0.05 -1.54 0.00 0.00 0.00 175.76 173.52 1bcu s SER 45 N -3.34 0.48 -0.25 0.00 1.04 -0.21 -0.64 113.70 110.78 1bcu s SER 45 Ca 0.20 -0.57 -0.16 0.00 0.48 0.00 0.00 55.95 55.90 1bcu s SER 45 Cb -0.01 0.09 -0.03 0.00 0.10 0.00 0.00 66.02 66.16 1bcu s SER 45 CO 0.03 -0.30 0.43 -0.22 0.98 0.00 0.00 173.24 174.16 1bcu s LEU 46 N -1.67 4.08 -0.00 2.42 0.20 0.38 -0.73 118.68 123.36 1bcu s LEU 46 Ca -0.11 0.44 0.10 0.00 0.69 0.00 0.00 54.13 55.24 1bcu s LEU 46 Cb -0.08 -2.54 -0.12 0.00 -0.43 0.00 0.00 46.19 43.03 1bcu s LEU 46 CO -0.01 -0.19 0.41 2.30 -0.29 0.00 0.00 176.35 178.56 1bcu n ILE 47 N 4.92 0.00 -3.39 6.68 -5.35 -0.65 -1.55 119.36 120.02 1bcu n ILE 47 Ca -0.07 -0.26 -0.04 0.00 -0.27 0.00 0.00 62.75 62.11 1bcu n ILE 47 Cb 0.50 0.92 0.01 0.00 -1.74 0.00 0.00 39.64 39.34 1bcu n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1bcu n SER 48 N -1.30 -1.07 0.06 7.28 3.41 -1.22 -4.66 113.62 116.12 1bcu n SER 48 Ca 0.02 -1.73 0.10 0.00 -0.26 0.00 0.00 58.87 57.00 1bcu n SER 48 Cb 0.17 1.77 0.43 0.00 -0.26 0.00 0.00 64.21 66.32 1bcu n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1bcu n ASP 49 N -1.23 0.36 0.00 4.04 5.75 -1.26 -3.63 116.55 120.58 1bcu n ASP 49 Ca -0.04 0.57 0.00 0.00 -0.01 0.00 0.00 54.79 55.31 1bcu n ASP 49 Cb 0.28 -0.66 0.00 0.00 -1.03 0.00 0.00 41.12 39.71 1bcu n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1bcu n ARG 50 N -1.88 5.60 -5.04 0.11 1.74 -1.26 -1.80 116.66 114.12 1bcu n ARG 50 Ca 0.04 -0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.83 1bcu n ARG 50 Cb 0.24 -0.41 -0.16 0.00 -1.02 0.00 0.00 32.46 31.11 1bcu n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1bcu s TRP 51 N -0.80 1.95 -0.03 -1.55 0.52 -1.24 -0.61 118.94 117.17 1bcu s TRP 51 Ca 0.00 -0.43 0.05 0.00 0.02 0.00 0.00 56.10 55.75 1bcu s TRP 51 Cb 0.00 -1.27 -0.01 0.00 -1.15 0.00 0.00 33.47 31.05 1bcu s TRP 51 CO 0.00 -0.08 -0.20 0.08 0.02 0.00 0.00 176.95 176.77 1bcu s VAL 52 N -0.37 1.62 -0.11 4.03 1.01 -0.24 -1.63 120.40 124.70 1bcu s VAL 52 Ca 0.05 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.17 1bcu s VAL 52 Cb -0.09 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 1bcu s VAL 52 CO 0.00 0.46 -0.08 -0.22 0.00 0.00 0.00 175.10 175.27 1bcu s LEU 53 N -0.21 3.07 0.00 3.92 2.96 0.09 -0.79 118.68 127.72 1bcu s LEU 53 Ca 0.01 -0.14 -0.02 0.00 -0.22 0.00 0.00 54.13 53.75 1bcu s LEU 53 Cb -0.10 -1.70 0.01 0.00 0.50 0.00 0.00 46.19 44.90 1bcu s LEU 53 CO 0.01 0.24 0.29 1.07 -1.32 0.00 0.00 176.35 176.65 1bcu n THR 54 N 3.03 0.00 -3.23 3.68 5.66 -0.58 -1.05 114.28 121.80 1bcu n THR 54 Ca -0.18 -0.90 -0.39 0.00 -3.05 0.00 0.00 64.05 59.53 1bcu n THR 54 Cb 0.53 0.59 -0.06 0.00 -1.55 0.00 0.00 70.33 69.84 1bcu n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bcu s ALA 55 N -2.12 3.54 0.40 1.79 0.00 -1.26 -1.02 121.76 123.09 1bcu s ALA 55 Ca 0.15 0.05 0.07 0.00 0.00 0.00 0.00 51.96 52.22 1bcu s ALA 55 Cb -0.01 -2.69 0.85 0.00 0.00 0.00 0.00 23.12 21.26 1bcu s ALA 55 CO 0.11 0.29 2.04 0.00 0.00 0.00 0.00 175.76 178.19 1bcu h ALA 56 N 5.01 1.73 0.00 0.00 0.00 -1.69 -2.14 119.26 122.16 1bcu h ALA 56 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1bcu h ALA 56 Cb 1.21 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1bcu h ALA 56 CO 0.66 0.23 0.00 -2.39 0.00 0.00 0.00 179.25 177.75 1bcu n HIS 57 N -4.47 0.60 0.23 0.00 1.44 -1.26 -0.74 115.22 111.02 1bcu n HIS 57 Ca 0.05 0.24 0.10 0.00 -2.01 0.00 0.00 57.72 56.10 1bcu n HIS 57 Cb 0.11 -0.89 0.54 0.00 0.12 0.00 0.00 29.99 29.87 1bcu n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1bcu n LEU 59 N -3.57 2.90 -3.87 0.00 4.77 -0.41 -4.89 117.00 111.93 1bcu n LEU 59 Ca -0.01 -0.06 -0.28 0.00 -0.03 0.00 0.00 56.01 55.63 1bcu n LEU 59 Cb 0.37 -0.47 -0.16 0.00 -2.33 0.00 0.00 43.42 40.82 1bcu n LEU 59 CO 0.33 0.71 -0.42 -0.22 -1.33 0.00 0.00 177.39 176.46 1bcu s LEU 60 N -5.83 1.57 0.17 2.23 1.98 0.09 -0.69 118.68 118.21 1bcu s LEU 60 Ca -0.18 -0.67 -0.18 0.00 -2.89 0.00 0.00 54.13 50.21 1bcu s LEU 60 Cb 0.05 -0.88 0.03 0.00 0.66 0.00 0.00 46.19 46.05 1bcu s LEU 60 CO 0.31 -0.20 0.50 -0.47 -1.89 0.00 0.00 176.35 174.60 1bcu s TYR 60 N 1.66 -0.17 0.00 5.38 5.04 0.42 -4.06 117.35 125.61 1bcu s TYR 60 Ca 0.01 -0.15 0.00 0.00 -2.44 0.00 0.00 57.07 54.49 1bcu s TYR 60 Cb -0.15 0.37 0.00 0.00 0.35 0.00 0.00 41.96 42.52 1bcu s TYR 60 CO -0.08 -0.85 0.00 -2.30 -1.34 0.00 0.00 175.55 170.98 1bcu n PRO 60 N -0.31 0.00 -0.12 4.97 -0.02 -1.26 -2.54 135.00 135.72 1bcu n PRO 60 Ca -0.12 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.44 1bcu n PRO 60 Cb 0.63 0.00 0.14 0.00 -0.02 0.00 0.00 33.50 34.25 1bcu n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1bcu n TRP 60 N 0.00 0.15 -3.96 6.00 8.01 -1.26 -4.99 117.44 121.39 1bcu n TRP 60 Ca 0.00 -0.91 -0.30 0.00 -1.31 0.00 0.00 57.50 54.98 1bcu n TRP 60 Cb 0.00 -0.16 0.01 0.00 -2.01 0.00 0.00 31.31 29.15 1bcu n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1bcu n ASP 60 N -1.15 -3.78 -4.54 -0.99 8.00 -1.20 -4.96 116.55 107.93 1bcu n ASP 60 Ca 0.15 -0.85 -0.38 0.00 0.71 0.00 0.00 54.79 54.41 1bcu n ASP 60 Cb 0.62 -3.60 -0.11 0.00 -0.02 0.00 0.00 41.12 38.01 1bcu n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1bcu s LYS 60 N -6.62 3.72 -0.47 -1.24 2.20 -1.05 -4.99 119.74 111.29 1bcu s LYS 60 Ca 0.56 -0.47 0.06 0.00 -0.36 0.00 0.00 55.97 55.77 1bcu s LYS 60 Cb -0.29 -3.64 0.20 0.00 -1.51 0.00 0.00 37.83 32.60 1bcu s LYS 60 CO 0.85 -0.27 0.65 -1.71 -0.36 0.00 0.00 175.35 174.51 1bcu n ASN 60 N 5.04 -2.23 -4.74 1.43 2.85 -1.21 -0.44 115.26 115.96 1bcu n ASN 60 Ca -0.14 -2.85 -0.40 0.00 -0.11 0.00 0.00 54.58 51.08 1bcu n ASN 60 Cb 0.51 0.95 -0.05 0.00 1.24 0.00 0.00 39.78 42.43 1bcu n ASN 60 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1bcu s PHE 60 N 0.41 3.87 0.47 1.20 0.08 0.14 -5.01 117.98 119.13 1bcu s PHE 60 Ca 0.32 1.84 0.07 0.00 0.12 0.00 0.00 56.93 59.28 1bcu s PHE 60 Cb 0.08 -3.05 0.01 0.00 -0.57 0.00 0.00 43.02 39.49 1bcu s PHE 60 CO -0.13 0.22 0.44 0.95 -0.10 0.00 0.00 175.22 176.59 1bcu s THR 60 N -0.77 2.33 0.26 0.64 -4.23 -1.26 -4.84 115.64 107.77 1bcu s THR 60 Ca 0.44 -1.33 -0.01 0.00 -1.18 0.00 0.00 61.69 59.60 1bcu s THR 60 Cb -0.26 -2.66 0.24 0.00 1.34 0.00 0.00 72.50 71.15 1bcu s THR 60 CO 0.32 0.00 1.77 -0.33 -0.54 0.00 0.00 174.62 175.84 1bcu h GLU 61 N 0.84 0.63 0.00 3.99 3.07 -1.93 -1.49 114.58 119.69 1bcu h GLU 61 Ca -0.39 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.44 1bcu h GLU 61 Cb 1.28 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 29.05 1bcu h GLU 61 CO 0.55 0.42 0.00 0.09 -1.40 0.00 0.00 179.01 178.67 1bcu n ASN 62 N -4.85 0.00 0.03 1.42 4.13 -1.26 -2.58 115.26 112.14 1bcu n ASN 62 Ca 0.17 0.39 0.13 0.00 1.68 0.00 0.00 54.58 56.94 1bcu n ASN 62 Cb 0.41 -0.45 0.33 0.00 -1.54 0.00 0.00 39.78 38.53 1bcu n ASN 62 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1bcu n ASP 63 N -1.45 0.47 -4.32 6.41 8.00 -0.56 -4.95 116.55 120.14 1bcu n ASP 63 Ca 0.06 0.10 -0.19 0.00 0.71 0.00 0.00 54.79 55.46 1bcu n ASP 63 Cb 0.20 -0.04 -0.10 0.00 -0.02 0.00 0.00 41.12 41.16 1bcu n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1bcu s LEU 64 N -3.47 2.50 0.05 0.64 1.43 -1.07 -2.41 118.68 116.35 1bcu s LEU 64 Ca 0.10 -0.94 0.06 0.00 -1.03 0.00 0.00 54.13 52.31 1bcu s LEU 64 Cb 0.16 -0.67 -0.02 0.00 0.03 0.00 0.00 46.19 45.69 1bcu s LEU 64 CO 0.66 -0.14 -0.16 -0.76 0.23 0.00 0.00 176.35 176.18 1bcu s LEU 65 N -3.00 2.20 -0.20 1.79 1.43 0.42 -4.50 118.68 116.82 1bcu s LEU 65 Ca 0.18 -0.51 -0.05 0.00 -1.03 0.00 0.00 54.13 52.72 1bcu s LEU 65 Cb -0.02 -0.67 -0.02 0.00 0.03 0.00 0.00 46.19 45.50 1bcu s LEU 65 CO 0.06 0.04 -0.00 -0.69 0.23 0.00 0.00 176.35 175.98 1bcu s VAL 66 N -0.93 3.95 -0.19 -1.59 1.01 -0.49 -0.66 120.40 121.49 1bcu s VAL 66 Ca 0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 61.98 61.67 1bcu s VAL 66 Cb -0.09 -2.78 -0.00 0.00 0.00 0.00 0.00 36.38 33.51 1bcu s VAL 66 CO 0.02 0.43 -0.11 -0.13 0.00 0.00 0.00 175.10 175.32 1bcu s ARG 67 N 0.95 3.26 0.01 2.72 0.52 -0.29 -0.15 118.95 125.97 1bcu s ARG 67 Ca 0.01 -0.70 0.08 0.00 -0.52 0.00 0.00 55.73 54.60 1bcu s ARG 67 Cb -0.14 -2.81 -0.03 0.00 0.52 0.00 0.00 34.95 32.49 1bcu s ARG 67 CO 0.02 -0.13 -0.24 0.42 0.02 0.00 0.00 175.30 175.39 1bcu s ILE 68 N 1.24 2.32 0.00 1.52 1.01 0.74 -0.87 121.20 127.15 1bcu s ILE 68 Ca 0.03 -1.18 0.00 0.00 0.00 0.00 0.00 60.65 59.49 1bcu s ILE 68 Cb -0.14 -1.88 0.00 0.00 0.01 0.00 0.00 42.46 40.45 1bcu s ILE 68 CO -0.05 0.46 0.00 0.61 0.00 0.00 0.00 174.94 175.97 1bcu n GLY 69 N 2.04 0.75 3.87 6.18 0.00 -1.26 -0.25 105.19 116.52 1bcu n GLY 69 Ca -0.16 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 1bcu n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bcu s LYS 70 N -0.59 3.61 0.13 1.61 1.02 -1.26 -4.38 119.74 119.88 1bcu s LYS 70 Ca 0.00 0.78 0.00 0.00 0.02 0.00 0.00 55.97 56.77 1bcu s LYS 70 Cb 0.00 -2.08 0.00 0.00 -0.52 0.00 0.00 37.83 35.23 1bcu s LYS 70 CO 0.00 -0.56 0.00 1.58 -0.92 0.00 0.00 175.35 175.45 1bcu n HIS 71 N -2.65 -1.08 -2.39 3.18 -0.00 -1.26 -4.95 115.22 106.07 1bcu n HIS 71 Ca 0.06 0.19 -0.41 0.00 -0.00 0.00 0.00 57.72 57.56 1bcu n HIS 71 Cb 0.54 0.45 -0.04 0.00 -0.00 0.00 0.00 29.99 30.94 1bcu n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1bcu s SER 72 N -5.09 7.13 -0.00 0.26 0.15 -1.26 -0.37 113.70 114.52 1bcu s SER 72 Ca 0.00 2.29 -0.25 0.00 0.70 0.00 0.00 55.95 58.70 1bcu s SER 72 Cb 0.00 -2.62 -0.18 0.00 -1.71 0.00 0.00 66.02 61.51 1bcu s SER 72 CO 0.00 -0.29 1.27 -0.09 1.20 0.00 0.00 173.24 175.33 1bcu h ARG 73 N 4.44 -0.16 0.00 5.44 2.43 -1.36 -3.39 114.38 121.79 1bcu h ARG 73 Ca -0.46 0.01 -0.31 0.00 -0.81 0.00 0.00 59.98 58.41 1bcu h ARG 73 Cb 1.21 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.74 1bcu h ARG 73 CO 0.70 0.22 -1.97 0.25 -1.51 0.00 0.00 179.97 177.66 1bcu n THR 74 N -4.98 1.49 -2.25 0.20 -2.24 -1.26 -4.98 114.28 100.25 1bcu n THR 74 Ca -0.09 -0.81 -0.39 0.00 -2.27 0.00 0.00 64.05 60.49 1bcu n THR 74 Cb 0.23 -0.78 -0.02 0.00 -2.10 0.00 0.00 70.33 67.66 1bcu n THR 74 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1bcu s ARG 75 N -2.58 4.23 -0.60 -0.78 3.52 -1.26 -4.99 118.95 116.49 1bcu s ARG 75 Ca -0.07 1.97 -0.24 0.00 -0.13 0.00 0.00 55.73 57.26 1bcu s ARG 75 Cb 0.07 -2.88 0.05 0.00 -1.56 0.00 0.00 34.95 30.63 1bcu s ARG 75 CO 0.83 -0.21 0.97 -0.47 -0.81 0.00 0.00 175.30 175.61 1bcu s TYR 76 N -1.28 2.71 -1.25 5.12 5.04 -1.26 -4.87 117.35 121.56 1bcu s TYR 76 Ca 0.53 -0.20 -0.19 0.00 -2.44 0.00 0.00 57.07 54.77 1bcu s TYR 76 Cb -0.34 -4.19 0.07 0.00 0.35 0.00 0.00 41.96 37.85 1bcu s TYR 76 CO 0.44 -1.51 1.69 -1.21 -1.34 0.00 0.00 175.55 173.62 1bcu s GLU 77 N 4.12 3.92 0.02 4.97 2.02 -1.26 -4.92 118.70 127.58 1bcu s GLU 77 Ca 0.28 -1.85 -0.05 0.00 0.02 0.00 0.00 54.97 53.37 1bcu s GLU 77 Cb -0.14 -5.51 -0.01 0.00 0.10 0.00 0.00 34.13 28.58 1bcu s GLU 77 CO 0.16 -2.25 0.62 -2.13 0.02 0.00 0.00 175.26 171.67 1bcu n ARG 77 N 8.47 -0.06 -0.88 1.61 0.63 -1.26 -1.38 116.66 123.79 1bcu n ARG 77 Ca 0.46 0.61 -0.03 0.00 -0.92 0.00 0.00 57.85 57.97 1bcu n ARG 77 Cb 0.47 -0.91 0.28 0.00 0.45 0.00 0.00 32.46 32.74 1bcu n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1bcu n ASN 78 N -3.12 4.21 0.02 6.15 5.03 -1.26 -4.63 115.26 121.67 1bcu n ASN 78 Ca 0.00 -3.29 -0.01 0.00 0.87 0.00 0.00 54.58 52.15 1bcu n ASN 78 Cb 0.04 -0.69 -0.00 0.00 -1.02 0.00 0.00 39.78 38.10 1bcu n ASN 78 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1bcu n ILE 79 N -0.43 1.05 -1.78 2.41 5.41 -0.49 -5.06 119.36 120.47 1bcu n ILE 79 Ca 0.36 0.31 -0.31 0.00 1.00 0.00 0.00 62.75 64.11 1bcu n ILE 79 Cb 1.24 -1.61 0.03 0.00 -0.71 0.00 0.00 39.64 38.58 1bcu n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1bcu s GLU 80 N -1.95 3.27 -0.05 0.38 -1.05 -0.48 -4.82 118.70 114.00 1bcu s GLU 80 Ca -0.04 0.91 0.03 0.00 -0.15 0.00 0.00 54.97 55.72 1bcu s GLU 80 Cb 0.01 -2.04 0.00 0.00 -0.44 0.00 0.00 34.13 31.67 1bcu s GLU 80 CO 0.06 -0.83 -0.14 0.15 0.95 0.00 0.00 175.26 175.46 1bcu s LYS 81 N -4.92 1.60 -0.14 -4.83 -0.14 0.66 -4.92 119.74 107.05 1bcu s LYS 81 Ca 0.58 -0.47 -0.03 0.00 -1.36 0.00 0.00 55.97 54.69 1bcu s LYS 81 Cb -0.13 -1.37 -0.03 0.00 -1.68 0.00 0.00 37.83 34.63 1bcu s LYS 81 CO 0.51 0.13 -0.04 0.42 -0.76 0.00 0.00 175.35 175.61 1bcu s ILE 82 N 0.33 3.86 0.11 2.17 1.01 -1.26 -0.18 121.20 127.24 1bcu s ILE 82 Ca -0.08 -0.37 0.08 0.00 0.00 0.00 0.00 60.65 60.27 1bcu s ILE 82 Cb -0.13 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 1bcu s ILE 82 CO 0.03 0.51 -0.20 -0.44 0.00 0.00 0.00 174.94 174.83 1bcu s SER 83 N 0.21 2.47 0.32 3.58 0.01 0.79 -4.97 113.70 116.10 1bcu s SER 83 Ca -0.02 -0.70 0.02 0.00 1.31 0.00 0.00 55.95 56.56 1bcu s SER 83 Cb -0.14 -0.13 -0.03 0.00 0.21 0.00 0.00 66.02 65.93 1bcu s SER 83 CO 0.03 0.03 0.49 -0.04 0.41 0.00 0.00 173.24 174.16 1bcu s MET 84 N -2.00 3.42 -0.04 12.44 -1.94 -1.26 -1.40 119.30 128.52 1bcu s MET 84 Ca 0.07 -0.53 -0.04 0.00 -1.71 0.00 0.00 55.69 53.48 1bcu s MET 84 Cb -0.09 -2.74 -0.04 0.00 2.01 0.00 0.00 34.83 33.96 1bcu s MET 84 CO 0.04 0.21 0.17 -0.51 -0.01 0.00 0.00 175.02 174.92 1bcu s LEU 85 N -4.21 4.37 -0.25 -0.03 1.43 -1.26 -0.99 118.68 117.73 1bcu s LEU 85 Ca 0.39 0.38 -0.10 0.00 -1.03 0.00 0.00 54.13 53.77 1bcu s LEU 85 Cb -0.09 -2.45 -0.16 0.00 0.03 0.00 0.00 46.19 43.52 1bcu s LEU 85 CO 0.34 0.31 -0.18 1.21 0.23 0.00 0.00 176.35 178.25 1bcu n GLU 86 N 1.26 0.62 -3.72 1.70 2.13 0.94 -4.65 120.64 118.91 1bcu n GLU 86 Ca -0.14 0.27 -0.13 0.00 0.66 0.00 0.00 57.16 57.82 1bcu n GLU 86 Cb 0.53 -1.55 -0.09 0.00 0.27 0.00 0.00 31.44 30.60 1bcu n GLU 86 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1bcu s LYS 87 N -2.50 0.57 -0.10 5.31 2.36 -1.19 -4.97 119.74 119.22 1bcu s LYS 87 Ca -0.35 0.37 0.01 0.00 -2.55 0.00 0.00 55.97 53.45 1bcu s LYS 87 Cb 0.11 0.27 -0.02 0.00 -1.05 0.00 0.00 37.83 37.14 1bcu s LYS 87 CO 0.56 -0.11 -0.11 0.42 1.55 0.00 0.00 175.35 177.66 1bcu s ILE 88 N -0.25 3.26 -0.15 5.43 1.01 -1.26 -0.86 121.20 128.37 1bcu s ILE 88 Ca -0.04 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.00 1bcu s ILE 88 Cb -0.03 -2.35 0.02 0.00 0.01 0.00 0.00 42.46 40.11 1bcu s ILE 88 CO 0.02 0.55 -0.15 -0.31 0.00 0.00 0.00 174.94 175.05 1bcu s TYR 89 N -0.14 2.27 -0.07 3.97 2.02 0.24 -5.01 117.35 120.63 1bcu s TYR 89 Ca -0.00 -1.28 -0.01 0.00 -0.37 0.00 0.00 57.07 55.41 1bcu s TYR 89 Cb -0.13 -1.65 -0.03 0.00 -0.40 0.00 0.00 41.96 39.75 1bcu s TYR 89 CO 0.03 -0.69 -0.01 0.42 -1.57 0.00 0.00 175.55 173.74 1bcu s ILE 90 N 1.42 4.18 0.06 2.71 1.01 -1.26 -0.79 121.20 128.53 1bcu s ILE 90 Ca 0.04 -0.33 -0.35 0.00 0.00 0.00 0.00 60.65 60.02 1bcu s ILE 90 Cb -0.13 -2.76 -0.14 0.00 0.01 0.00 0.00 42.46 39.44 1bcu s ILE 90 CO -0.11 0.58 1.64 1.57 0.00 0.00 0.00 174.94 178.62 1bcu n HIS 91 N 2.08 2.18 0.25 3.97 -0.00 -1.11 -4.82 115.22 117.77 1bcu n HIS 91 Ca -0.18 0.26 0.18 0.00 -0.00 0.00 0.00 57.72 57.98 1bcu n HIS 91 Cb 0.53 -2.54 0.90 0.00 -0.00 0.00 0.00 29.99 28.88 1bcu n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1bcu h PRO 92 N 6.69 0.00 -0.35 1.57 0.13 -1.95 -1.82 132.00 136.27 1bcu h PRO 92 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1bcu h PRO 92 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1bcu h PRO 92 CO 0.89 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.20 1bcu n ARG 93 N -3.53 3.14 -1.67 0.86 1.74 -1.26 -4.98 116.66 110.96 1bcu n ARG 93 Ca 0.00 -2.64 -0.48 0.00 -0.77 0.00 0.00 57.85 53.96 1bcu n ARG 93 Cb 0.28 -1.71 -0.05 0.00 -1.02 0.00 0.00 32.46 29.96 1bcu n ARG 93 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1bcu n TYR 94 N 0.06 2.27 -3.46 -1.55 9.36 -0.69 -4.76 117.16 118.38 1bcu n TYR 94 Ca 0.19 0.15 -0.42 0.00 3.32 0.00 0.00 57.90 61.14 1bcu n TYR 94 Cb 0.78 -2.60 -0.04 0.00 -0.63 0.00 0.00 39.34 36.86 1bcu n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1bcu s ASN 95 N 2.66 6.52 0.41 2.98 3.84 0.21 -4.84 114.94 126.72 1bcu s ASN 95 Ca 0.87 -3.21 0.22 0.00 0.21 0.00 0.00 52.86 50.95 1bcu s ASN 95 Cb -0.71 -2.09 0.30 0.00 -0.55 0.00 0.00 41.25 38.20 1bcu s ASN 95 CO 0.46 -0.37 1.59 4.11 -2.79 0.00 0.00 177.10 180.10 1bcu h TRP 96 N 6.95 0.00 -0.56 0.43 5.08 -1.91 0.99 115.95 126.94 1bcu h TRP 96 Ca 0.12 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 60.01 1bcu h TRP 96 Cb 0.93 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.07 1bcu h TRP 96 CO 0.84 0.08 0.02 0.00 -1.28 0.00 0.00 178.44 178.10 1bcu h ARG 97 N 0.00 0.95 0.00 0.12 3.08 -2.00 -3.43 114.38 113.11 1bcu h ARG 97 Ca -0.00 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1bcu h ARG 97 Cb 1.06 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.01 1bcu h ARG 97 CO 0.01 0.93 0.00 -1.91 -1.07 0.00 0.00 179.97 177.93 1bcu n GLU 97 N -4.20 0.00 -0.21 0.04 2.13 -1.24 -5.00 120.64 112.16 1bcu n GLU 97 Ca 0.03 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.87 1bcu n GLU 97 Cb 0.31 -0.20 0.03 0.00 0.27 0.00 0.00 31.44 31.86 1bcu n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1bcu n ASN 98 N -2.31 0.79 -2.46 4.31 0.23 -1.21 -5.00 115.26 109.61 1bcu n ASN 98 Ca 0.00 -1.99 -0.19 0.00 -0.53 0.00 0.00 54.58 51.87 1bcu n ASN 98 Cb 0.00 -0.17 0.02 0.00 -2.08 0.00 0.00 39.78 37.55 1bcu n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1bcu n LEU 99 N -0.39 -2.34 -4.75 -4.53 4.77 0.34 -4.96 117.00 105.14 1bcu n LEU 99 Ca 0.04 -0.18 -0.41 0.00 -0.03 0.00 0.00 56.01 55.42 1bcu n LEU 99 Cb 0.58 -2.63 -0.03 0.00 -2.33 0.00 0.00 43.42 39.01 1bcu n LEU 99 CO 0.00 0.09 1.00 -0.62 -1.33 0.00 0.00 177.39 176.54 1bcu s ASP 100 N -2.59 6.82 -1.08 -1.43 2.15 -1.21 -3.08 116.67 116.24 1bcu s ASP 100 Ca 0.19 2.55 -0.00 0.00 0.43 0.00 0.00 52.55 55.72 1bcu s ASP 100 Cb -0.08 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 1bcu s ASP 100 CO 0.23 -0.55 0.90 0.54 -0.17 0.00 0.00 175.17 176.12 1bcu n ARG 101 N 1.88 -5.99 -2.69 4.34 1.74 -1.26 -0.62 116.66 114.06 1bcu n ARG 101 Ca 0.04 0.76 -0.43 0.00 -0.77 0.00 0.00 57.85 57.45 1bcu n ARG 101 Cb 0.42 -5.52 -0.01 0.00 -1.02 0.00 0.00 32.46 26.33 1bcu n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1bcu s ASP 102 N -4.18 6.79 -0.06 0.55 2.15 -1.18 -4.24 116.67 116.51 1bcu s ASP 102 Ca 0.02 -2.30 -0.17 0.00 0.43 0.00 0.00 52.55 50.53 1bcu s ASP 102 Cb -0.01 -2.52 0.04 0.00 -0.30 0.00 0.00 42.92 40.13 1bcu s ASP 102 CO 0.65 -1.14 0.40 -0.51 -0.17 0.00 0.00 175.17 174.40 1bcu s ILE 103 N 3.65 0.03 -0.03 4.11 2.07 -1.26 -3.98 121.20 125.79 1bcu s ILE 103 Ca 0.47 -0.27 -0.19 0.00 -1.41 0.00 0.00 60.65 59.26 1bcu s ILE 103 Cb 0.01 -0.66 0.03 0.00 0.13 0.00 0.00 42.46 41.97 1bcu s ILE 103 CO 0.00 -0.15 0.40 0.00 -1.91 0.00 0.00 174.94 173.29 1bcu s ALA 104 N -0.86 -1.03 0.00 1.50 0.00 -0.19 -2.75 121.76 118.44 1bcu s ALA 104 Ca -0.09 0.60 0.06 0.00 0.00 0.00 0.00 51.96 52.52 1bcu s ALA 104 Cb -0.04 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 1bcu s ALA 104 CO 0.04 -0.28 -0.17 -0.51 0.00 0.00 0.00 175.76 174.84 1bcu s LEU 105 N -1.22 2.61 -0.10 0.00 1.43 0.03 -1.52 118.68 119.90 1bcu s LEU 105 Ca -0.12 -0.34 0.01 0.00 -1.03 0.00 0.00 54.13 52.65 1bcu s LEU 105 Cb -0.04 -1.53 0.02 0.00 0.03 0.00 0.00 46.19 44.67 1bcu s LEU 105 CO 0.05 0.29 -0.12 -0.04 0.23 0.00 0.00 176.35 176.77 1bcu s MET 106 N -1.11 1.85 -0.16 1.70 -1.94 0.03 -0.59 119.30 119.08 1bcu s MET 106 Ca 0.13 -0.42 -0.16 0.00 -1.71 0.00 0.00 55.69 53.53 1bcu s MET 106 Cb -0.10 -1.68 -0.04 0.00 2.01 0.00 0.00 34.83 35.01 1bcu s MET 106 CO 0.03 -0.13 0.41 0.21 -0.01 0.00 0.00 175.02 175.53 1bcu s LYS 107 N 1.20 4.26 0.47 2.03 2.20 -0.04 -1.08 119.74 128.78 1bcu s LYS 107 Ca -0.03 0.28 -0.21 0.00 -0.36 0.00 0.00 55.97 55.65 1bcu s LYS 107 Cb -0.14 -3.47 -0.09 0.00 -1.51 0.00 0.00 37.83 32.62 1bcu s LYS 107 CO -0.03 0.10 1.03 -0.51 -0.36 0.00 0.00 175.35 175.58 1bcu s LEU 108 N 0.86 3.89 0.24 5.43 1.43 0.21 -0.04 118.68 130.70 1bcu s LEU 108 Ca 0.21 1.92 -0.06 0.00 -1.03 0.00 0.00 54.13 55.17 1bcu s LEU 108 Cb -0.14 -4.51 0.29 0.00 0.03 0.00 0.00 46.19 41.85 1bcu s LEU 108 CO 0.08 -0.71 1.87 0.50 0.23 0.00 0.00 176.35 178.32 1bcu h LYS 109 N 1.72 1.01 -3.43 1.70 3.64 -1.33 -3.41 116.57 116.46 1bcu h LYS 109 Ca -0.49 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 58.71 1bcu h LYS 109 Cb 1.22 -0.23 -0.18 0.00 -0.41 0.00 0.00 32.23 32.63 1bcu h LYS 109 CO 0.60 0.67 -0.37 -1.59 -2.27 0.00 0.00 179.45 176.48 1bcu s LYS 110 N -6.09 0.66 0.37 1.90 -2.85 -1.26 -4.96 119.74 107.52 1bcu s LYS 110 Ca -0.13 -0.50 -0.27 0.00 -1.00 0.00 0.00 55.97 54.07 1bcu s LYS 110 Cb 0.18 0.28 -0.11 0.00 -2.06 0.00 0.00 37.83 36.11 1bcu s LYS 110 CO 0.79 -0.19 1.31 -2.30 0.10 0.00 0.00 175.35 175.06 1bcu n PRO 111 N 0.91 2.14 -3.48 1.78 -0.02 -1.26 -4.91 135.00 130.17 1bcu n PRO 111 Ca -0.20 0.75 -0.32 0.00 -2.02 0.00 0.00 63.50 61.72 1bcu n PRO 111 Cb 0.58 -2.38 -0.05 0.00 -0.02 0.00 0.00 33.50 31.62 1bcu n PRO 111 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1bcu s VAL 112 N -1.13 4.99 0.06 -1.45 -7.23 -0.75 -5.03 120.40 109.86 1bcu s VAL 112 Ca 0.57 0.37 -0.22 0.00 -1.81 0.00 0.00 61.98 60.89 1bcu s VAL 112 Cb -0.54 -3.62 -0.06 0.00 0.56 0.00 0.00 36.38 32.72 1bcu s VAL 112 CO 0.61 -0.04 0.67 0.00 -0.31 0.00 0.00 175.10 176.03 1bcu s ALA 113 N -1.77 3.47 0.68 1.32 0.00 -1.26 -4.83 121.76 119.36 1bcu s ALA 113 Ca 0.46 0.16 -0.12 0.00 0.00 0.00 0.00 51.96 52.46 1bcu s ALA 113 Cb -0.11 -2.82 0.00 0.00 0.00 0.00 0.00 23.12 20.19 1bcu s ALA 113 CO 0.22 0.22 1.06 -0.06 0.00 0.00 0.00 175.76 177.20 1bcu s PHE 114 N -0.56 3.05 0.03 0.00 0.08 -1.26 -4.90 117.98 114.43 1bcu s PHE 114 Ca 0.33 1.45 -0.01 0.00 0.12 0.00 0.00 56.93 58.82 1bcu s PHE 114 Cb -0.20 -2.92 0.00 0.00 -0.57 0.00 0.00 43.02 39.33 1bcu s PHE 114 CO 0.21 -1.24 0.06 -1.13 -0.10 0.00 0.00 175.22 173.02 1bcu n SER 115 N -2.91 -0.18 0.30 1.36 3.41 -0.42 -4.93 113.62 110.24 1bcu n SER 115 Ca 0.08 -1.15 0.15 0.00 -0.26 0.00 0.00 58.87 57.69 1bcu n SER 115 Cb 0.53 0.31 0.91 0.00 -0.26 0.00 0.00 64.21 65.70 1bcu n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1bcu h ASP 116 N 0.17 0.00 -0.01 4.04 3.32 -1.99 -3.00 116.42 118.95 1bcu h ASP 116 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1bcu h ASP 116 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1bcu h ASP 116 CO 0.04 0.01 -0.36 -1.22 -1.72 0.00 0.00 179.24 175.98 1bcu n TYR 117 N -3.81 0.00 -3.85 4.55 4.01 -1.26 -4.76 117.16 112.04 1bcu n TYR 117 Ca -0.03 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.44 1bcu n TYR 117 Cb 0.09 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 38.96 1bcu n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1bcu s ILE 118 N -1.76 0.90 -0.27 -0.72 1.01 -1.13 -4.15 121.20 115.08 1bcu s ILE 118 Ca 0.08 -0.50 -0.20 0.00 0.00 0.00 0.00 60.65 60.03 1bcu s ILE 118 Cb 0.09 -1.13 0.07 0.00 0.01 0.00 0.00 42.46 41.51 1bcu s ILE 118 CO 0.37 0.09 0.69 -2.28 0.00 0.00 0.00 174.94 173.81 1bcu s HIS 119 N 1.72 -0.92 0.56 3.97 2.46 -0.82 -1.30 115.29 120.97 1bcu s HIS 119 Ca 0.01 2.00 -0.18 0.00 0.47 0.00 0.00 55.06 57.36 1bcu s HIS 119 Cb -0.15 0.45 -0.05 0.00 -0.13 0.00 0.00 32.58 32.70 1bcu s HIS 119 CO -0.07 -0.45 1.07 -1.25 -2.47 0.00 0.00 174.74 171.57 1bcu s PRO 120 N 1.03 3.39 0.24 2.88 0.04 -1.26 -2.37 135.00 138.95 1bcu s PRO 120 Ca -0.05 1.36 0.01 0.00 0.04 0.00 0.00 61.00 62.35 1bcu s PRO 120 Cb -0.05 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 1bcu s PRO 120 CO -0.10 -0.77 0.42 0.54 0.04 0.00 0.00 177.00 177.13 1bcu s VAL 121 N -2.16 5.19 0.30 -0.36 0.11 -0.59 -4.91 120.40 117.98 1bcu s VAL 121 Ca 0.67 -0.50 -0.16 0.00 -2.93 0.00 0.00 61.98 59.06 1bcu s VAL 121 Cb -0.18 -3.79 -0.09 0.00 -1.53 0.00 0.00 36.38 30.79 1bcu s VAL 121 CO 0.31 -0.29 0.73 0.00 -3.33 0.00 0.00 175.10 172.52 1bcu s LEU 123 N -2.78 4.44 0.46 0.00 1.43 -1.26 -1.16 118.68 119.81 1bcu s LEU 123 Ca 0.52 0.85 -0.23 0.00 -1.03 0.00 0.00 54.13 54.25 1bcu s LEU 123 Cb -0.11 -2.50 -0.07 0.00 0.03 0.00 0.00 46.19 43.53 1bcu s LEU 123 CO 0.18 0.31 1.17 -2.16 0.23 0.00 0.00 176.35 176.08 1bcu s PRO 124 N -0.90 3.74 0.52 1.29 0.04 -1.26 -4.95 135.00 133.48 1bcu s PRO 124 Ca 0.22 1.78 0.06 0.00 0.04 0.00 0.00 61.00 63.09 1bcu s PRO 124 Cb -0.16 -2.39 0.04 0.00 0.04 0.00 0.00 34.50 32.04 1bcu s PRO 124 CO 0.11 -0.57 0.71 0.16 0.04 0.00 0.00 177.00 177.46 1bcu s ASP 125 N -1.37 5.30 0.22 6.66 1.47 -1.26 -4.88 116.67 122.82 1bcu s ASP 125 Ca 0.64 -0.39 -0.12 0.00 1.18 0.00 0.00 52.55 53.85 1bcu s ASP 125 Cb -0.29 -0.45 0.28 0.00 -0.34 0.00 0.00 42.92 42.12 1bcu s ASP 125 CO 0.35 -1.10 1.62 -0.09 0.68 0.00 0.00 175.17 176.63 1bcu h ARG 126 N 0.27 0.01 -0.04 2.11 9.65 -1.97 -2.69 114.38 121.72 1bcu h ARG 126 Ca -0.38 -0.00 -0.19 0.00 -1.10 0.00 0.00 59.98 58.31 1bcu h ARG 126 Cb 1.28 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.86 1bcu h ARG 126 CO 0.46 0.00 -0.79 0.93 2.80 0.00 0.00 179.97 183.37 1bcu h GLU 127 N 0.01 0.30 -0.97 0.20 4.39 -2.04 -1.66 114.58 114.81 1bcu h GLU 127 Ca 0.34 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1bcu h GLU 127 Cb 0.52 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1bcu h GLU 127 CO -0.70 0.95 0.00 2.41 -1.16 0.00 0.00 179.01 180.50 1bcu n THR 128 N -3.77 0.11 0.00 1.13 -1.04 -1.02 -1.10 114.28 108.59 1bcu n THR 128 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1bcu n THR 128 Cb 0.74 -0.35 0.00 0.00 -1.82 0.00 0.00 70.33 68.90 1bcu n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bcu n ALA 129 N 0.63 0.00 -0.11 2.41 0.00 -0.63 -1.32 120.51 121.49 1bcu n ALA 129 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1bcu n ALA 129 Cb 0.08 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.59 1bcu n ALA 129 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1bcu h SER 129 N 0.00 0.87 0.13 0.00 0.02 -1.40 -3.38 113.55 109.80 1bcu h SER 129 Ca 0.00 -0.33 -0.35 0.00 -0.84 0.00 0.00 61.79 60.27 1bcu h SER 129 Cb 0.00 -0.24 -0.06 0.00 0.14 0.00 0.00 62.40 62.24 1bcu h SER 129 CO 0.00 1.07 -2.21 0.18 -1.14 0.00 0.00 176.83 174.73 1bcu n LEU 129 N -4.10 0.90 -4.07 5.07 4.32 -0.44 -4.68 117.00 114.00 1bcu n LEU 129 Ca -0.00 0.09 -0.41 0.00 -0.02 0.00 0.00 56.01 55.67 1bcu n LEU 129 Cb 0.45 0.07 -0.02 0.00 -1.62 0.00 0.00 43.42 42.30 1bcu n LEU 129 CO 0.46 0.57 2.23 0.18 -1.22 0.00 0.00 177.39 179.61 1bcu n LEU 130 N -2.96 5.34 -4.04 2.23 4.77 -1.26 -4.82 117.00 116.25 1bcu n LEU 130 Ca -0.31 -3.74 -0.19 0.00 -0.03 0.00 0.00 56.01 51.74 1bcu n LEU 130 Cb 1.10 -1.60 -0.15 0.00 -2.33 0.00 0.00 43.42 40.44 1bcu n LEU 130 CO 0.41 0.20 -0.44 -1.10 -1.33 0.00 0.00 177.39 175.13 1bcu s GLN 131 N 4.22 0.81 0.16 3.23 -0.21 -1.26 -4.96 119.66 121.66 1bcu s GLN 131 Ca 0.54 -0.38 -0.34 0.00 0.02 0.00 0.00 55.36 55.19 1bcu s GLN 131 Cb 0.09 -0.78 -0.15 0.00 1.00 0.00 0.00 33.01 33.17 1bcu s GLN 131 CO 0.03 0.21 1.39 0.00 -2.12 0.00 0.00 175.29 174.80 1bcu n ALA 132 N 2.76 0.29 0.00 6.09 0.00 -1.26 -1.36 120.51 127.03 1bcu n ALA 132 Ca -0.14 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1bcu n ALA 132 Cb 0.56 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1bcu n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bcu n GLY 133 N 2.59 3.12 3.75 0.00 0.00 -0.11 -4.95 105.19 109.58 1bcu n GLY 133 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1bcu n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bcu s TYR 134 N -2.86 3.53 -0.05 1.61 1.51 -0.46 -4.67 117.35 115.96 1bcu s TYR 134 Ca 0.00 1.61 -0.10 0.00 -1.01 0.00 0.00 57.07 57.57 1bcu s TYR 134 Cb 0.00 -3.33 -0.05 0.00 -0.11 0.00 0.00 41.96 38.48 1bcu s TYR 134 CO 0.00 -0.75 0.27 0.15 -1.11 0.00 0.00 175.55 174.11 1bcu s LYS 135 N -0.93 3.65 0.52 -0.62 1.02 -1.26 -0.84 119.74 121.27 1bcu s LYS 135 Ca 0.48 0.09 0.01 0.00 0.02 0.00 0.00 55.97 56.57 1bcu s LYS 135 Cb -0.32 -3.18 -0.00 0.00 -0.52 0.00 0.00 37.83 33.81 1bcu s LYS 135 CO 0.39 0.72 0.05 0.20 -0.92 0.00 0.00 175.35 175.79 1bcu s GLY 136 N -1.16 2.99 -0.05 -3.33 0.00 0.39 -4.86 107.32 101.30 1bcu s GLY 136 Ca 0.21 -0.32 0.03 0.00 0.00 0.00 0.00 44.72 44.64 1bcu s GLY 136 CO 0.10 -2.18 -0.14 -1.60 0.00 0.00 0.00 173.10 169.28 1bcu s ARG 137 N -3.94 1.64 -0.04 2.90 3.52 0.82 -0.36 118.95 123.49 1bcu s ARG 137 Ca 0.07 -0.49 0.06 0.00 -0.13 0.00 0.00 55.73 55.23 1bcu s ARG 137 Cb 0.01 -1.40 -0.02 0.00 -1.56 0.00 0.00 34.95 31.97 1bcu s ARG 137 CO 0.04 0.14 -0.21 0.08 -0.81 0.00 0.00 175.30 174.53 1bcu s VAL 138 N 0.30 2.42 0.06 7.11 1.01 0.31 -1.05 120.40 130.58 1bcu s VAL 138 Ca -0.08 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 60.98 1bcu s VAL 138 Cb -0.13 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 1bcu s VAL 138 CO 0.03 0.58 -0.10 0.42 0.00 0.00 0.00 175.10 176.02 1bcu s THR 139 N -0.55 0.82 0.00 3.92 -4.23 -1.25 -1.12 115.64 113.23 1bcu s THR 139 Ca 0.08 -1.30 0.00 0.00 -1.18 0.00 0.00 61.69 59.29 1bcu s THR 139 Cb -0.11 -0.95 0.00 0.00 1.34 0.00 0.00 72.50 72.78 1bcu s THR 139 CO 0.00 -0.38 0.00 0.61 -0.54 0.00 0.00 174.62 174.32 1bcu n GLY 140 N 1.17 1.04 1.21 3.99 0.00 -0.83 -4.58 105.19 107.20 1bcu n GLY 140 Ca -0.21 -0.95 0.08 0.00 0.00 0.00 0.00 46.02 44.95 1bcu n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1bcu n TRP 141 N -0.43 1.29 -1.10 1.61 8.01 -1.26 -1.66 117.44 123.89 1bcu n TRP 141 Ca 0.00 -0.81 -0.30 0.00 -1.31 0.00 0.00 57.50 55.08 1bcu n TRP 141 Cb 0.00 -0.36 0.24 0.00 -2.01 0.00 0.00 31.31 29.17 1bcu n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1bcu s GLY 142 N -1.52 1.59 0.64 6.99 0.00 -1.26 -4.59 107.32 109.17 1bcu s GLY 142 Ca 0.46 -0.94 -0.18 0.00 0.00 0.00 0.00 44.72 44.05 1bcu s GLY 142 CO 0.12 -0.07 1.30 -1.31 0.00 0.00 0.00 173.10 173.14 1bcu s ASN 143 N -3.91 4.62 0.12 1.64 0.02 0.33 -3.08 114.94 114.69 1bcu s ASN 143 Ca 0.71 2.64 0.25 0.00 -1.02 0.00 0.00 52.86 55.44 1bcu s ASN 143 Cb -0.10 -2.62 0.46 0.00 0.02 0.00 0.00 41.25 39.02 1bcu s ASN 143 CO 0.56 -1.99 1.43 0.18 0.02 0.00 0.00 177.10 177.29 1bcu n LEU 144 N -1.86 0.69 -3.77 0.60 4.77 -0.26 -1.35 117.00 115.82 1bcu n LEU 144 Ca 0.16 0.28 -0.10 0.00 -0.03 0.00 0.00 56.01 56.32 1bcu n LEU 144 Cb 0.48 -0.22 -0.07 0.00 -2.33 0.00 0.00 43.42 41.28 1bcu n LEU 144 CO 0.47 -0.06 0.00 -0.54 -1.33 0.00 0.00 177.39 175.93 1bcu s LYS 145 N -3.14 0.88 0.00 3.23 1.02 -1.26 -4.32 119.74 116.15 1bcu s LYS 145 Ca 0.08 -0.74 0.00 0.00 0.02 0.00 0.00 55.97 55.32 1bcu s LYS 145 Cb 0.14 0.37 0.00 0.00 -0.52 0.00 0.00 37.83 37.82 1bcu s LYS 145 CO 0.69 -0.30 0.24 -1.91 -0.92 0.00 0.00 175.35 173.16 1bcu n GLU 146 N 0.13 0.27 0.00 1.68 2.13 -1.26 -4.93 120.64 118.65 1bcu n GLU 146 Ca -0.17 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.65 1bcu n GLU 146 Cb 0.62 -1.32 0.00 0.00 0.27 0.00 0.00 31.44 31.01 1bcu n GLU 146 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1bcu n GLY 150 N 0.76 0.01 3.29 8.31 0.00 -1.26 -5.08 105.19 111.22 1bcu n GLY 150 Ca 0.00 -0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 1bcu n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bcu s GLN 151 N -1.00 1.68 0.61 1.61 -0.21 -1.26 -1.10 119.66 119.98 1bcu s GLN 151 Ca 0.00 -0.98 -0.13 0.00 0.02 0.00 0.00 55.36 54.27 1bcu s GLN 151 Cb 0.00 -1.77 -0.03 0.00 1.00 0.00 0.00 33.01 32.20 1bcu s GLN 151 CO 0.00 0.46 1.03 -1.25 -2.12 0.00 0.00 175.29 173.42 1bcu s PRO 152 N -1.05 3.45 0.11 2.91 0.04 -1.26 -4.95 135.00 134.25 1bcu s PRO 152 Ca 0.10 0.92 0.20 0.00 0.04 0.00 0.00 61.00 62.25 1bcu s PRO 152 Cb -0.09 -2.06 -0.10 0.00 0.04 0.00 0.00 34.50 32.29 1bcu s PRO 152 CO 0.01 -0.69 0.86 -1.13 0.04 0.00 0.00 177.00 176.10 1bcu n SER 153 N -2.49 0.75 -4.21 6.66 3.41 -1.26 -4.69 113.62 111.79 1bcu n SER 153 Ca 0.07 0.31 -0.14 0.00 -0.26 0.00 0.00 58.87 58.85 1bcu n SER 153 Cb 0.54 0.48 -0.10 0.00 -0.26 0.00 0.00 64.21 64.86 1bcu n SER 153 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1bcu s VAL 154 N -3.16 1.02 0.16 -3.33 1.01 -1.26 -1.02 120.40 113.83 1bcu s VAL 154 Ca -0.03 -1.82 -0.34 0.00 0.00 0.00 0.00 61.98 59.80 1bcu s VAL 154 Cb 0.09 -1.57 -0.15 0.00 0.00 0.00 0.00 36.38 34.76 1bcu s VAL 154 CO 0.81 -0.64 1.40 -0.11 0.00 0.00 0.00 175.10 176.56 1bcu n LEU 155 N 0.24 2.45 -4.87 3.92 7.94 0.51 -4.82 117.00 122.37 1bcu n LEU 155 Ca -0.14 1.12 -0.25 0.00 -1.11 0.00 0.00 56.01 55.64 1bcu n LEU 155 Cb 0.59 -1.33 -0.04 0.00 0.53 0.00 0.00 43.42 43.17 1bcu n LEU 155 CO 0.29 -0.71 -0.15 -1.10 -1.11 0.00 0.00 177.39 174.61 1bcu s GLN 156 N 0.24 3.13 0.00 1.96 -1.52 -0.67 -0.14 119.66 122.66 1bcu s GLN 156 Ca 0.76 -0.82 0.00 0.00 -1.95 0.00 0.00 55.36 53.36 1bcu s GLN 156 Cb -0.77 -2.75 -0.00 0.00 -0.22 0.00 0.00 33.01 29.26 1bcu s GLN 156 CO 0.46 0.47 -0.01 0.54 -0.25 0.00 0.00 175.29 176.49 1bcu s VAL 157 N -1.85 0.08 -0.08 1.09 0.11 0.19 -1.96 120.40 117.98 1bcu s VAL 157 Ca 0.33 -0.22 -0.07 0.00 -2.93 0.00 0.00 61.98 59.09 1bcu s VAL 157 Cb -0.10 -0.11 0.02 0.00 -1.53 0.00 0.00 36.38 34.67 1bcu s VAL 157 CO 0.26 -0.09 0.21 0.54 -3.33 0.00 0.00 175.10 172.69 1bcu s VAL 158 N -0.31 -0.00 -0.20 2.04 0.11 -0.28 -1.41 120.40 120.35 1bcu s VAL 158 Ca -0.03 0.02 -0.09 0.00 -2.93 0.00 0.00 61.98 58.94 1bcu s VAL 158 Cb -0.02 -0.30 -0.05 0.00 -1.53 0.00 0.00 36.38 34.48 1bcu s VAL 158 CO -0.00 0.01 0.11 0.20 -3.33 0.00 0.00 175.10 172.09 1bcu s ASN 159 N 0.22 6.02 0.01 3.54 0.01 -1.26 -0.53 114.94 122.96 1bcu s ASN 159 Ca -0.01 0.17 0.03 0.00 -0.71 0.00 0.00 52.86 52.34 1bcu s ASN 159 Cb -0.02 -2.05 -0.01 0.00 0.41 0.00 0.00 41.25 39.57 1bcu s ASN 159 CO -0.01 0.16 -0.09 -0.76 -1.51 0.00 0.00 177.10 174.90 1bcu s LEU 160 N 0.45 2.09 0.27 0.60 1.43 0.51 -4.93 118.68 119.11 1bcu s LEU 160 Ca 0.06 -0.27 -0.27 0.00 -1.03 0.00 0.00 54.13 52.62 1bcu s LEU 160 Cb -0.12 -0.41 -0.09 0.00 0.03 0.00 0.00 46.19 45.60 1bcu s LEU 160 CO -0.01 0.04 0.92 -2.16 0.23 0.00 0.00 176.35 175.37 1bcu s PRO 161 N -0.60 4.67 0.36 1.29 0.04 -1.26 -0.46 135.00 139.03 1bcu s PRO 161 Ca 0.01 1.35 -0.27 0.00 0.04 0.00 0.00 61.00 62.12 1bcu s PRO 161 Cb -0.05 -3.03 -0.09 0.00 0.04 0.00 0.00 34.50 31.37 1bcu s PRO 161 CO 0.00 0.40 1.21 0.42 0.04 0.00 0.00 177.00 179.07 1bcu s ILE 162 N -1.41 3.04 0.05 0.56 1.01 -0.02 -0.90 121.20 123.52 1bcu s ILE 162 Ca 0.45 0.95 0.05 0.00 0.00 0.00 0.00 60.65 62.10 1bcu s ILE 162 Cb -0.22 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 1bcu s ILE 162 CO 0.27 0.16 -0.06 -0.69 0.00 0.00 0.00 174.94 174.62 1bcu s VAL 163 N -1.28 3.65 0.34 2.92 1.01 -0.78 -0.93 120.40 125.33 1bcu s VAL 163 Ca 0.53 -0.95 -0.28 0.00 0.00 0.00 0.00 61.98 61.28 1bcu s VAL 163 Cb -0.34 -2.65 -0.12 0.00 0.00 0.00 0.00 36.38 33.26 1bcu s VAL 163 CO 0.44 0.26 1.27 -0.62 0.00 0.00 0.00 175.10 176.46 1bcu n GLU 164 N 1.13 2.07 -0.26 2.72 4.71 -1.26 -4.63 120.64 125.12 1bcu n GLU 164 Ca -0.14 0.73 0.03 0.00 -0.01 0.00 0.00 57.16 57.77 1bcu n GLU 164 Cb 0.52 -2.29 0.16 0.00 -1.01 0.00 0.00 31.44 28.82 1bcu n GLU 164 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1bcu h ARG 165 N 2.55 0.57 -0.67 3.49 3.08 -1.98 -2.47 114.38 118.95 1bcu h ARG 165 Ca -0.46 -0.03 0.09 0.00 0.07 0.00 0.00 59.98 59.65 1bcu h ARG 165 Cb 1.29 -0.13 -0.07 0.00 0.08 0.00 0.00 29.97 31.14 1bcu h ARG 165 CO 0.63 0.38 0.32 -1.35 -1.07 0.00 0.00 179.97 178.87 1bcu h PRO 166 N 0.59 0.54 0.00 0.04 0.11 -2.00 -0.82 132.00 130.46 1bcu h PRO 166 Ca 0.38 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.35 1bcu h PRO 166 Cb 0.46 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 1bcu h PRO 166 CO -0.31 0.36 -0.52 -0.24 -0.21 0.00 0.00 178.00 177.08 1bcu h VAL 167 N 0.55 1.21 0.13 3.15 3.04 -1.83 -1.23 116.25 121.28 1bcu h VAL 167 Ca 0.33 -1.90 -0.01 0.00 -1.01 0.00 0.00 66.70 64.11 1bcu h VAL 167 Cb 0.34 2.07 0.00 0.00 -2.01 0.00 0.00 31.29 31.69 1bcu h VAL 167 CO -0.26 0.51 -0.06 0.00 -1.01 0.00 0.00 177.57 176.75 1bcu h LYS 169 N -0.35 0.00 -0.02 0.00 3.11 -1.03 -2.63 116.57 115.65 1bcu h LYS 169 Ca -0.02 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.82 1bcu h LYS 169 Cb 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.51 1bcu h LYS 169 CO 0.03 0.33 0.00 -0.25 -2.81 0.00 0.00 179.45 176.75 1bcu n ASP 170 N -4.03 0.45 -0.68 4.20 8.00 -0.48 -3.36 116.55 120.65 1bcu n ASP 170 Ca -0.02 -1.26 0.10 0.00 0.71 0.00 0.00 54.79 54.32 1bcu n ASP 170 Cb 0.38 -0.01 0.05 0.00 -0.02 0.00 0.00 41.12 41.52 1bcu n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1bcu n SER 171 N -0.60 2.39 -3.83 -2.24 3.41 -0.99 -5.01 113.62 106.75 1bcu n SER 171 Ca 0.20 -1.69 -0.09 0.00 -0.26 0.00 0.00 58.87 57.02 1bcu n SER 171 Cb 0.17 0.16 -0.07 0.00 -0.26 0.00 0.00 64.21 64.20 1bcu n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1bcu s THR 172 N -1.83 0.13 -0.75 6.66 -1.32 -1.21 -4.85 115.64 112.46 1bcu s THR 172 Ca 0.21 -1.08 0.24 0.00 -1.21 0.00 0.00 61.69 59.85 1bcu s THR 172 Cb 0.16 -1.26 0.00 0.00 -1.51 0.00 0.00 72.50 69.89 1bcu s THR 172 CO 0.33 -0.60 1.30 0.54 -2.21 0.00 0.00 174.62 173.97 1bcu n ARG 173 N 0.03 0.19 -2.31 7.08 1.74 -1.26 -4.93 116.66 117.21 1bcu n ARG 173 Ca -0.16 0.04 -0.40 0.00 -0.77 0.00 0.00 57.85 56.57 1bcu n ARG 173 Cb 0.62 -1.61 -0.03 0.00 -1.02 0.00 0.00 32.46 30.42 1bcu n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1bcu s ILE 174 N -3.12 3.16 -0.22 0.55 -1.09 -1.26 -4.98 121.20 114.24 1bcu s ILE 174 Ca 0.07 1.10 -0.29 0.00 -2.23 0.00 0.00 60.65 59.30 1bcu s ILE 174 Cb 0.15 -3.67 -0.01 0.00 -1.58 0.00 0.00 42.46 37.35 1bcu s ILE 174 CO 0.73 0.21 1.26 -0.60 -1.23 0.00 0.00 174.94 175.31 1bcu s ARG 175 N -1.83 4.12 0.04 2.79 3.52 -1.26 -5.01 118.95 121.33 1bcu s ARG 175 Ca 0.50 1.49 -0.20 0.00 -0.13 0.00 0.00 55.73 57.39 1bcu s ARG 175 Cb -0.34 -3.80 -0.06 0.00 -1.56 0.00 0.00 34.95 29.19 1bcu s ARG 175 CO 0.44 -0.85 0.59 0.42 -0.81 0.00 0.00 175.30 175.09 1bcu s ILE 176 N 3.80 4.79 0.47 4.11 -1.09 -1.26 -4.88 121.20 127.14 1bcu s ILE 176 Ca 0.55 1.26 0.05 0.00 -2.23 0.00 0.00 60.65 60.28 1bcu s ILE 176 Cb -0.19 -3.93 -0.02 0.00 -1.58 0.00 0.00 42.46 36.74 1bcu s ILE 176 CO 0.17 0.49 0.18 0.42 -1.23 0.00 0.00 174.94 174.98 1bcu s THR 177 N -0.71 1.81 -0.32 2.92 -4.23 -1.26 -5.01 115.64 108.85 1bcu s THR 177 Ca 0.30 -1.74 0.26 0.00 -1.18 0.00 0.00 61.69 59.33 1bcu s THR 177 Cb -0.19 -2.55 0.27 0.00 1.34 0.00 0.00 72.50 71.37 1bcu s THR 177 CO 0.19 0.00 1.77 0.44 -0.54 0.00 0.00 174.62 176.48 1bcu h ASP 178 N 1.25 0.00 -0.28 3.99 3.32 -2.03 -2.74 116.42 119.93 1bcu h ASP 178 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1bcu h ASP 178 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1bcu h ASP 178 CO 0.68 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.79 1bcu n ASN 179 N -2.40 1.88 -4.20 6.45 3.02 -1.26 -4.84 115.26 113.90 1bcu n ASN 179 Ca 0.01 -2.09 -0.15 0.00 -0.03 0.00 0.00 54.58 52.32 1bcu n ASN 179 Cb 0.21 -0.29 -0.11 0.00 -0.61 0.00 0.00 39.78 38.99 1bcu n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1bcu s MET 180 N -1.63 0.92 0.05 3.52 -1.94 -1.04 -0.75 119.30 118.43 1bcu s MET 180 Ca 0.20 -1.23 -0.04 0.00 -1.71 0.00 0.00 55.69 52.91 1bcu s MET 180 Cb 0.12 -0.60 -0.02 0.00 2.01 0.00 0.00 34.83 36.33 1bcu s MET 180 CO 0.12 0.09 0.05 -0.59 -0.01 0.00 0.00 175.02 174.68 1bcu s PHE 181 N -2.59 0.32 0.26 -0.03 -0.71 -0.61 -4.81 117.98 109.81 1bcu s PHE 181 Ca 0.08 -0.73 0.12 0.00 -1.04 0.00 0.00 56.93 55.36 1bcu s PHE 181 Cb -0.02 -0.22 -0.05 0.00 -1.21 0.00 0.00 43.02 41.52 1bcu s PHE 181 CO 0.01 -0.38 -0.19 0.00 -1.34 0.00 0.00 175.22 173.31 1bcu s ALA 183 N -2.33 -0.74 0.00 0.00 0.00 -0.16 -1.87 121.76 116.67 1bcu s ALA 183 Ca 0.28 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.44 1bcu s ALA 183 Cb -0.06 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.24 1bcu s ALA 183 CO 0.14 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.99 1bcu n GLY 184 N 0.99 2.94 3.84 0.00 0.00 -0.08 -2.14 105.19 110.73 1bcu n GLY 184 Ca -0.20 -1.55 -0.34 0.00 0.00 0.00 0.00 46.02 43.92 1bcu n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bcu s TYR 184 N -2.00 3.52 0.52 1.61 2.02 -1.26 -4.48 117.35 117.27 1bcu s TYR 184 Ca 0.00 1.25 -0.17 0.00 -0.37 0.00 0.00 57.07 57.78 1bcu s TYR 184 Cb 0.00 -2.53 -0.07 0.00 -0.40 0.00 0.00 41.96 38.95 1bcu s TYR 184 CO 0.00 0.25 0.99 0.15 -1.57 0.00 0.00 175.55 175.37 1bcu s LYS 185 N -2.43 3.88 0.31 -0.62 1.02 -1.26 -4.78 119.74 115.86 1bcu s LYS 185 Ca 0.47 1.00 0.08 0.00 0.02 0.00 0.00 55.97 57.55 1bcu s LYS 185 Cb -0.14 -2.12 0.84 0.00 -0.52 0.00 0.00 37.83 35.89 1bcu s LYS 185 CO 0.19 -0.33 1.74 -1.35 -0.92 0.00 0.00 175.35 174.68 1bcu h PRO 186 N 0.92 0.60 0.00 -1.68 0.11 -1.95 -2.17 132.00 127.83 1bcu h PRO 186 Ca -0.47 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.49 1bcu h PRO 186 Cb 1.19 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1bcu h PRO 186 CO 0.61 0.40 -0.56 0.38 -0.21 0.00 0.00 178.00 178.62 1bcu h ASP 186 N 0.62 0.00 0.13 -2.05 2.03 -1.96 -3.30 116.42 111.88 1bcu h ASP 186 Ca 0.62 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.92 1bcu h ASP 186 Cb 1.12 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.62 1bcu h ASP 186 CO -0.45 0.56 0.00 -0.62 -1.03 0.00 0.00 179.24 177.69 1bcu n GLU 186 N -3.62 0.05 0.00 4.15 1.02 -0.82 -4.87 120.64 116.56 1bcu n GLU 186 Ca -0.00 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 1bcu n GLU 186 Cb 0.62 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 1bcu n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bcu n GLY 186 N -1.12 1.24 3.83 0.62 0.00 -1.25 -4.97 105.19 103.54 1bcu n GLY 186 Ca 0.00 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 1bcu n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bcu s LYS 186 N 0.00 4.15 0.36 1.61 1.02 -1.26 -5.09 119.74 120.53 1bcu s LYS 186 Ca 0.00 0.98 0.01 0.00 0.02 0.00 0.00 55.97 56.98 1bcu s LYS 186 Cb 0.00 -2.25 -0.00 0.00 -0.52 0.00 0.00 37.83 35.06 1bcu s LYS 186 CO 0.00 0.01 0.03 0.54 -0.92 0.00 0.00 175.35 175.01 1bcu n ARG 187 N -0.61 0.98 0.00 1.68 1.74 -1.26 -4.70 116.66 114.49 1bcu n ARG 187 Ca 0.06 -2.70 0.00 0.00 -0.77 0.00 0.00 57.85 54.44 1bcu n ARG 187 Cb 0.54 0.91 0.00 0.00 -1.02 0.00 0.00 32.46 32.89 1bcu n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bcu n GLY 188 N 0.37 4.71 3.58 -0.13 0.00 -1.25 -4.93 105.19 107.54 1bcu n GLY 188 Ca -0.13 -1.10 -0.05 0.00 0.00 0.00 0.00 46.02 44.74 1bcu n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bcu s ASP 189 N 0.00 -0.21 0.86 1.61 2.15 -0.96 -4.66 116.67 115.47 1bcu s ASP 189 Ca 0.00 -0.04 -0.13 0.00 0.43 0.00 0.00 52.55 52.81 1bcu s ASP 189 Cb 0.00 0.25 0.11 0.00 -0.30 0.00 0.00 42.92 42.98 1bcu s ASP 189 CO 0.00 -0.42 1.18 0.00 -0.17 0.00 0.00 175.17 175.77 1bcu s ALA 190 N -2.71 2.32 0.14 3.66 0.00 -1.26 -0.69 121.76 123.21 1bcu s ALA 190 Ca 0.09 -0.68 -0.03 0.00 0.00 0.00 0.00 51.96 51.33 1bcu s ALA 190 Cb -0.00 -2.96 0.01 0.00 0.00 0.00 0.00 23.12 20.17 1bcu s ALA 190 CO -0.05 -1.97 0.24 0.00 0.00 0.00 0.00 175.76 173.98 1bcu n GLU 192 N -0.20 2.22 0.00 0.00 2.13 -1.26 -1.48 120.64 122.05 1bcu n GLU 192 Ca -0.02 0.79 0.00 0.00 0.66 0.00 0.00 57.16 58.59 1bcu n GLU 192 Cb 0.22 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 29.47 1bcu n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1bcu n GLY 193 N 1.82 2.23 0.06 8.31 0.00 -1.26 -0.51 105.19 115.83 1bcu n GLY 193 Ca 0.09 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.23 1bcu n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bcu n ASP 194 N 0.00 0.65 -4.53 1.61 8.00 -0.55 -3.79 116.55 117.95 1bcu n ASP 194 Ca 0.00 -0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.10 1bcu n ASP 194 Cb 0.00 0.60 0.02 0.00 -0.02 0.00 0.00 41.12 41.73 1bcu n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1bcu n SER 195 N -2.15 -0.06 0.00 -2.24 7.64 -1.26 -1.88 113.62 113.66 1bcu n SER 195 Ca 0.02 0.88 0.00 0.00 1.01 0.00 0.00 58.87 60.77 1bcu n SER 195 Cb 0.46 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 1bcu n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bcu n GLY 196 N 1.54 2.79 3.73 0.23 0.00 -0.24 -0.03 105.19 113.20 1bcu n GLY 196 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1bcu n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bcu s GLY 197 N -1.68 1.59 0.16 -0.02 0.00 -0.79 -3.25 107.32 103.34 1bcu s GLY 197 Ca 0.00 -0.26 -0.23 0.00 0.00 0.00 0.00 44.72 44.23 1bcu s GLY 197 CO 0.00 0.27 0.73 2.56 0.00 0.00 0.00 173.10 176.66 1bcu s PRO 198 N -5.04 4.44 -0.31 2.90 0.04 -1.26 -0.87 135.00 134.90 1bcu s PRO 198 Ca 0.64 1.03 -0.08 0.00 0.04 0.00 0.00 61.00 62.63 1bcu s PRO 198 Cb -0.17 -3.18 0.01 0.00 0.04 0.00 0.00 34.50 31.20 1bcu s PRO 198 CO 0.56 0.55 0.10 0.12 0.04 0.00 0.00 177.00 178.37 1bcu s PHE 199 N -1.22 3.17 0.23 0.56 2.19 0.01 -3.84 117.98 119.09 1bcu s PHE 199 Ca 0.36 -0.97 0.11 0.00 0.33 0.00 0.00 56.93 56.77 1bcu s PHE 199 Cb -0.21 -2.29 -0.05 0.00 -1.31 0.00 0.00 43.02 39.16 1bcu s PHE 199 CO 0.24 -0.58 -0.20 0.14 1.83 0.00 0.00 175.22 176.65 1bcu s VAL 200 N 1.51 2.52 0.03 3.12 -7.23 -0.21 -0.86 120.40 119.28 1bcu s VAL 200 Ca 0.02 -2.14 0.02 0.00 -1.81 0.00 0.00 61.98 58.08 1bcu s VAL 200 Cb -0.18 -2.26 -0.02 0.00 0.56 0.00 0.00 36.38 34.48 1bcu s VAL 200 CO 0.03 -0.23 -0.07 -0.04 -0.31 0.00 0.00 175.10 174.48 1bcu s MET 201 N -3.04 0.49 -0.26 4.82 -1.94 -0.03 -0.13 119.30 119.20 1bcu s MET 201 Ca 0.25 -0.60 -0.12 0.00 -1.71 0.00 0.00 55.69 53.51 1bcu s MET 201 Cb -0.07 -0.31 -0.05 0.00 2.01 0.00 0.00 34.83 36.41 1bcu s MET 201 CO 0.13 0.06 0.26 0.21 -0.01 0.00 0.00 175.02 175.67 1bcu s LYS 202 N -1.17 4.01 0.05 2.03 2.20 -1.26 -0.38 119.74 125.21 1bcu s LYS 202 Ca -0.07 -0.16 -0.31 0.00 -0.36 0.00 0.00 55.97 55.08 1bcu s LYS 202 Cb -0.08 -3.63 -0.07 0.00 -1.51 0.00 0.00 37.83 32.54 1bcu s LYS 202 CO 0.00 -0.16 1.47 0.45 -0.36 0.00 0.00 175.35 176.75 1bcu s SER 203 N 1.55 6.77 0.00 1.43 0.15 0.26 -4.90 113.70 118.98 1bcu s SER 203 Ca 0.10 2.27 0.24 0.00 0.70 0.00 0.00 55.95 59.27 1bcu s SER 203 Cb -0.15 -2.57 1.11 0.00 -1.71 0.00 0.00 66.02 62.70 1bcu s SER 203 CO 0.09 -0.75 1.78 -0.81 1.20 0.00 0.00 173.24 174.76 1bcu n PRO 204 N 5.04 0.15 -0.04 5.44 -0.04 -1.26 -0.89 135.00 143.39 1bcu n PRO 204 Ca 0.13 0.08 -0.20 0.00 -0.04 0.00 0.00 63.50 63.47 1bcu n PRO 204 Cb 0.42 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.25 1bcu n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1bcu h PHE 204 N 0.00 0.21 0.00 0.54 0.04 -1.97 -3.41 116.94 112.36 1bcu h PHE 204 Ca 0.00 -0.16 0.00 0.00 2.80 0.00 0.00 57.97 60.61 1bcu h PHE 204 Cb 0.33 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.47 1bcu h PHE 204 CO 0.00 1.44 0.00 0.27 -0.60 0.00 0.00 178.31 179.42 1bcu n ASN 204 N -4.21 1.22 -1.68 2.17 2.04 -1.25 -5.02 115.26 108.53 1bcu n ASN 204 Ca -0.25 -1.24 -0.17 0.00 -0.44 0.00 0.00 54.58 52.48 1bcu n ASN 204 Cb 0.76 0.00 -0.04 0.00 -2.53 0.00 0.00 39.78 37.97 1bcu n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1bcu n ASN 205 N -0.12 -5.07 -4.91 0.53 3.02 -0.07 -5.01 115.26 103.63 1bcu n ASN 205 Ca 0.00 0.18 -0.28 0.00 -0.03 0.00 0.00 54.58 54.45 1bcu n ASN 205 Cb 0.07 -4.12 -0.04 0.00 -0.61 0.00 0.00 39.78 35.08 1bcu n ASN 205 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1bcu s ARG 206 N -4.24 3.35 -0.04 3.52 0.52 -1.25 -4.81 118.95 115.99 1bcu s ARG 206 Ca 0.00 -0.60 -0.20 0.00 -0.52 0.00 0.00 55.73 54.41 1bcu s ARG 206 Cb 0.00 -2.93 -0.05 0.00 0.52 0.00 0.00 34.95 32.49 1bcu s ARG 206 CO 0.00 0.54 0.58 -1.58 0.02 0.00 0.00 175.30 174.86 1bcu s TRP 207 N -1.67 3.63 -0.00 -0.53 0.52 -1.26 -0.57 118.94 119.06 1bcu s TRP 207 Ca 0.34 1.13 0.07 0.00 0.02 0.00 0.00 56.10 57.67 1bcu s TRP 207 Cb -0.11 -2.62 -0.02 0.00 -1.15 0.00 0.00 33.47 29.57 1bcu s TRP 207 CO 0.27 0.28 -0.23 0.71 0.02 0.00 0.00 176.95 178.00 1bcu s TYR 208 N 0.13 2.04 -0.43 -1.98 1.51 0.48 -2.35 117.35 116.75 1bcu s TYR 208 Ca 0.31 -0.39 -0.23 0.00 -1.01 0.00 0.00 57.07 55.76 1bcu s TYR 208 Cb -0.17 -1.29 0.02 0.00 -0.11 0.00 0.00 41.96 40.41 1bcu s TYR 208 CO 0.16 0.00 0.75 -1.14 -1.11 0.00 0.00 175.55 174.21 1bcu s GLN 209 N -0.71 3.43 -0.00 -0.62 0.74 -0.31 -0.85 119.66 121.34 1bcu s GLN 209 Ca 0.09 -0.10 0.15 0.00 0.05 0.00 0.00 55.36 55.55 1bcu s GLN 209 Cb -0.09 -3.92 -0.19 0.00 1.10 0.00 0.00 33.01 29.91 1bcu s GLN 209 CO -0.00 -1.05 0.70 -1.33 -0.55 0.00 0.00 175.29 173.05 1bcu n MET 210 N 6.58 0.63 -4.11 1.67 2.81 -0.04 -4.34 117.12 120.31 1bcu n MET 210 Ca 0.01 0.23 -0.11 0.00 -1.81 0.00 0.00 57.70 56.03 1bcu n MET 210 Cb 0.48 -1.78 -0.08 0.00 -0.71 0.00 0.00 33.22 31.14 1bcu n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1bcu s GLY 211 N -4.96 1.03 -0.08 3.03 0.00 -0.86 -1.71 107.32 103.76 1bcu s GLY 211 Ca -0.04 -1.33 0.04 0.00 0.00 0.00 0.00 44.72 43.38 1bcu s GLY 211 CO 0.82 -1.06 -0.20 -0.42 0.00 0.00 0.00 173.10 172.24 1bcu s ILE 212 N -4.09 1.70 -0.08 0.90 1.01 -0.97 -0.81 121.20 118.85 1bcu s ILE 212 Ca 0.31 -0.82 -0.32 0.00 0.00 0.00 0.00 60.65 59.82 1bcu s ILE 212 Cb 0.04 -1.49 -0.09 0.00 0.01 0.00 0.00 42.46 40.93 1bcu s ILE 212 CO 0.10 0.48 2.01 0.52 0.00 0.00 0.00 174.94 178.05 1bcu n VAL 213 N 3.51 0.59 -0.00 2.92 0.31 -0.05 -1.11 118.33 124.50 1bcu n VAL 213 Ca -0.20 -0.20 -0.03 0.00 -0.01 0.00 0.00 64.34 63.91 1bcu n VAL 213 Cb 0.52 -2.16 -0.01 0.00 -0.91 0.00 0.00 33.84 31.28 1bcu n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1bcu n SER 214 N 8.19 1.07 -3.65 4.52 2.88 -0.53 -1.08 113.62 125.03 1bcu n SER 214 Ca 0.24 0.16 -0.10 0.00 -1.33 0.00 0.00 58.87 57.85 1bcu n SER 214 Cb 0.36 -0.42 -0.02 0.00 -0.75 0.00 0.00 64.21 63.38 1bcu n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1bcu s TRP 215 N -2.01 -0.32 0.27 0.66 1.48 -0.90 -4.89 118.94 113.23 1bcu s TRP 215 Ca -0.08 -0.01 -0.21 0.00 -1.06 0.00 0.00 56.10 54.74 1bcu s TRP 215 Cb 0.01 0.56 0.03 0.00 -1.16 0.00 0.00 33.47 32.92 1bcu s TRP 215 CO 0.12 -0.99 0.78 0.20 -4.06 0.00 0.00 176.95 173.00 1bcu s GLY 216 N -2.84 -0.06 -0.45 3.67 0.00 -1.26 -0.30 107.32 106.08 1bcu s GLY 216 Ca 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 44.72 44.49 1bcu s GLY 216 CO -0.04 -0.04 0.23 -0.54 0.00 0.00 0.00 173.10 172.71 1bcu s GLU 217 N -3.58 2.03 1.94 2.90 2.02 -1.26 -4.98 118.70 117.76 1bcu s GLU 217 Ca 0.12 -2.04 0.00 0.00 0.02 0.00 0.00 54.97 53.07 1bcu s GLU 217 Cb -0.05 -3.53 0.00 0.00 0.10 0.00 0.00 34.13 30.65 1bcu s GLU 217 CO 0.07 -1.07 0.00 0.41 0.02 0.00 0.00 175.26 174.68 1bcu n GLY 219 N 4.20 -1.45 2.70 -1.39 0.00 -1.26 -4.71 105.19 103.28 1bcu n GLY 219 Ca 0.01 -1.30 -0.19 0.00 0.00 0.00 0.00 46.02 44.54 1bcu n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bcu n ASP 221 N 5.08 -6.26 -4.76 0.00 2.03 -1.26 -4.66 116.55 106.73 1bcu n ASP 221 Ca -0.08 -0.49 -0.39 0.00 0.52 0.00 0.00 54.79 54.36 1bcu n ASP 221 Cb 0.50 -4.96 -0.06 0.00 -0.72 0.00 0.00 41.12 35.88 1bcu n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1bcu s ARG 221 N -6.18 4.32 0.29 -0.67 0.52 -1.26 -4.96 118.95 111.00 1bcu s ARG 221 Ca 0.52 0.71 -0.30 0.00 -0.52 0.00 0.00 55.73 56.14 1bcu s ARG 221 Cb -0.23 -3.36 -0.12 0.00 0.52 0.00 0.00 34.95 31.76 1bcu s ARG 221 CO 0.65 0.33 1.43 -0.25 0.02 0.00 0.00 175.30 177.48 1bcu n ASP 222 N 2.87 3.11 0.00 0.23 8.00 -1.26 -1.61 116.55 127.89 1bcu n ASP 222 Ca -0.07 1.17 0.00 0.00 0.71 0.00 0.00 54.79 56.60 1bcu n ASP 222 Cb 0.51 -1.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.11 1bcu n ASP 222 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bcu n GLY 223 N 1.69 0.66 3.54 0.44 0.00 -1.26 -5.00 105.19 105.25 1bcu n GLY 223 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 1bcu n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bcu s LYS 224 N -0.24 1.92 0.08 1.61 -0.14 -0.63 -4.78 119.74 117.56 1bcu s LYS 224 Ca 0.00 -1.56 0.02 0.00 -1.36 0.00 0.00 55.97 53.06 1bcu s LYS 224 Cb 0.00 -1.96 -0.04 0.00 -1.68 0.00 0.00 37.83 34.15 1bcu s LYS 224 CO 0.00 0.36 -0.06 0.71 -0.76 0.00 0.00 175.35 175.60 1bcu s TYR 225 N -2.27 0.81 0.19 3.18 2.02 -1.26 -4.75 117.35 115.27 1bcu s TYR 225 Ca 0.29 -0.84 -0.23 0.00 -0.37 0.00 0.00 57.07 55.91 1bcu s TYR 225 Cb -0.06 -0.48 -0.08 0.00 -0.40 0.00 0.00 41.96 40.94 1bcu s TYR 225 CO 0.16 -0.16 0.76 0.20 -1.57 0.00 0.00 175.55 174.95 1bcu s GLY 226 N -2.72 2.81 -0.06 0.71 0.00 -0.91 -4.48 107.32 102.66 1bcu s GLY 226 Ca 0.07 0.30 0.01 0.00 0.00 0.00 0.00 44.72 45.10 1bcu s GLY 226 CO -0.04 0.75 -0.08 -1.36 0.00 0.00 0.00 173.10 172.37 1bcu s PHE 227 N -1.29 2.91 0.04 1.90 0.40 0.59 -0.99 117.98 121.53 1bcu s PHE 227 Ca 0.39 0.00 0.06 0.00 -0.60 0.00 0.00 56.93 56.77 1bcu s PHE 227 Cb -0.21 -1.70 -0.02 0.00 0.51 0.00 0.00 43.02 41.60 1bcu s PHE 227 CO 0.24 0.31 -0.17 0.71 0.70 0.00 0.00 175.22 177.02 1bcu s TYR 228 N -0.80 1.49 0.13 0.36 1.51 0.54 -1.45 117.35 119.13 1bcu s TYR 228 Ca 0.12 -0.35 -0.31 0.00 -1.01 0.00 0.00 57.07 55.53 1bcu s TYR 228 Cb -0.11 -0.89 -0.08 0.00 -0.11 0.00 0.00 41.96 40.77 1bcu s TYR 228 CO 0.01 0.05 1.32 0.99 -1.11 0.00 0.00 175.55 176.82 1bcu s THR 229 N -0.78 3.44 -0.76 -0.71 2.01 -0.27 -1.57 115.64 117.01 1bcu s THR 229 Ca 0.05 1.08 -0.26 0.00 0.31 0.00 0.00 61.69 62.86 1bcu s THR 229 Cb -0.08 -3.69 0.03 0.00 0.01 0.00 0.00 72.50 68.77 1bcu s THR 229 CO 0.01 0.11 1.28 -2.28 -0.69 0.00 0.00 174.62 173.05 1bcu s HIS 230 N 0.77 2.33 0.17 4.92 2.46 0.07 -2.30 115.29 123.70 1bcu s HIS 230 Ca 0.61 -0.17 -0.15 0.00 0.47 0.00 0.00 55.06 55.82 1bcu s HIS 230 Cb -0.35 -4.62 0.06 0.00 -0.13 0.00 0.00 32.58 27.55 1bcu s HIS 230 CO 0.32 -2.04 1.82 0.28 -2.47 0.00 0.00 174.74 172.65 1bcu h VAL 231 N 6.10 1.08 -0.79 0.89 2.07 -1.65 -2.79 116.25 121.17 1bcu h VAL 231 Ca -0.23 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 1bcu h VAL 231 Cb 1.05 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1bcu h VAL 231 CO 1.29 0.11 0.41 0.15 0.02 0.00 0.00 177.57 179.55 1bcu h PHE 232 N 0.60 1.10 0.00 1.57 3.57 -1.87 -1.72 116.94 120.19 1bcu h PHE 232 Ca 0.18 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1bcu h PHE 232 Cb -0.02 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.37 1bcu h PHE 232 CO -0.06 0.78 0.00 0.00 -2.23 0.00 0.00 178.31 176.80 1bcu h ARG 233 N 1.11 0.00 -0.22 1.11 3.08 -1.88 -1.82 114.38 115.76 1bcu h ARG 233 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1bcu h ARG 233 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1bcu h ARG 233 CO -0.04 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.14 1bcu n LEU 234 N -2.91 3.32 0.17 3.04 4.77 -0.68 -4.67 117.00 120.03 1bcu n LEU 234 Ca -0.02 -2.74 0.02 0.00 -0.03 0.00 0.00 56.01 53.24 1bcu n LEU 234 Cb 0.13 -0.42 0.29 0.00 -2.33 0.00 0.00 43.42 41.09 1bcu n LEU 234 CO 0.20 0.68 0.64 0.50 -1.33 0.00 0.00 177.39 178.08 1bcu h LYS 235 N 1.45 0.00 -0.68 3.23 3.64 -0.91 -2.47 116.57 120.83 1bcu h LYS 235 Ca 0.00 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1bcu h LYS 235 Cb 1.16 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.94 1bcu h LYS 235 CO 0.13 0.46 0.42 -0.22 -2.27 0.00 0.00 179.45 177.97 1bcu h LYS 236 N 0.00 0.78 -0.27 1.90 3.64 -1.83 0.62 116.57 121.41 1bcu h LYS 236 Ca -0.00 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 1bcu h LYS 236 Cb 0.85 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 1bcu h LYS 236 CO 0.06 0.52 0.03 2.35 -2.27 0.00 0.00 179.45 180.13 1bcu h TRP 237 N 0.80 0.49 -0.19 1.91 7.01 -1.83 -1.53 115.95 122.62 1bcu h TRP 237 Ca 0.28 -0.08 0.05 0.00 2.11 0.00 0.00 58.89 61.25 1bcu h TRP 237 Cb 0.06 -0.13 -0.05 0.00 -2.10 0.00 0.00 29.16 26.94 1bcu h TRP 237 CO -0.05 0.58 -0.11 0.82 -2.79 0.00 0.00 178.44 176.89 1bcu h ILE 238 N 0.26 0.67 -0.79 2.65 2.04 -0.95 -1.78 117.51 119.60 1bcu h ILE 238 Ca 0.08 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 1bcu h ILE 238 Cb 0.37 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 1bcu h ILE 238 CO 0.01 0.00 0.44 1.56 0.00 0.00 0.00 178.15 180.16 1bcu h GLN 239 N -0.10 1.11 -0.04 2.37 4.20 -0.87 -2.47 115.11 119.32 1bcu h GLN 239 Ca 0.11 -0.13 0.03 0.00 0.06 0.00 0.00 58.65 58.72 1bcu h GLN 239 Cb 0.25 -0.22 -0.04 0.00 0.30 0.00 0.00 27.48 27.78 1bcu h GLN 239 CO -0.25 0.81 -0.17 -0.22 -0.67 0.00 0.00 178.83 178.34 1bcu h LYS 240 N 1.10 -0.25 -0.36 1.46 3.64 -0.68 -0.41 116.57 121.07 1bcu h LYS 240 Ca 0.28 0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.55 1bcu h LYS 240 Cb 0.03 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1bcu h LYS 240 CO -0.05 -0.16 -0.28 -0.39 -2.27 0.00 0.00 179.45 176.30 1bcu h VAL 241 N -0.26 1.28 0.00 2.00 -1.51 -1.13 -0.53 116.25 116.09 1bcu h VAL 241 Ca 0.07 -1.41 -0.07 0.00 -1.23 0.00 0.00 66.70 64.05 1bcu h VAL 241 Cb 0.34 1.30 -0.01 0.00 -2.13 0.00 0.00 31.29 30.79 1bcu h VAL 241 CO -0.19 0.47 -0.34 0.16 -1.23 0.00 0.00 177.57 176.45 1bcu h ILE 242 N 0.65 0.95 -0.10 7.19 3.07 -1.33 -2.76 117.51 125.18 1bcu h ILE 242 Ca 0.08 -1.29 -0.22 0.00 1.55 0.00 0.00 64.86 64.98 1bcu h ILE 242 Cb 0.80 1.76 0.01 0.00 -0.27 0.00 0.00 36.82 39.12 1bcu h ILE 242 CO 0.07 0.33 -0.82 0.44 -1.05 0.00 0.00 178.15 177.12 1bcu h ASP 243 N 0.00 0.80 -0.72 2.16 3.32 -0.63 -3.32 116.42 118.03 1bcu h ASP 243 Ca -0.00 -0.55 0.04 0.00 0.02 0.00 0.00 57.03 56.54 1bcu h ASP 243 Cb 0.73 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 40.00 1bcu h ASP 243 CO 0.04 1.34 0.45 1.56 -1.72 0.00 0.00 179.24 180.90 1bcu h GLN 244 N 0.44 0.83 0.00 3.56 1.08 -0.80 -3.51 115.11 116.70 1bcu h GLN 244 Ca -0.06 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1bcu h GLN 244 Cb 1.44 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 28.68 1bcu h GLN 244 CO 0.16 0.55 0.00 0.34 -0.95 0.00 0.00 178.83 178.93