#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1i s LYS 2 N 0.00 3.36 -0.04 3.17 1.02 -1.18 0.83 119.74 126.91 1u1i s LYS 2 Ca 0.00 -0.22 0.00 0.00 0.02 0.00 0.00 55.97 55.77 1u1i s LYS 2 Cb 0.00 -3.09 0.03 0.00 -0.52 0.00 0.00 37.83 34.25 1u1i s LYS 2 CO 0.00 0.72 -0.01 0.08 -0.92 0.00 0.00 175.35 175.22 1u1i s VAL 3 N -0.89 0.31 -0.15 3.17 1.01 0.23 -2.49 120.40 121.59 1u1i s VAL 3 Ca 0.14 0.04 -0.11 0.00 0.00 0.00 0.00 61.98 62.05 1u1i s VAL 3 Cb -0.12 -0.40 -0.05 0.00 0.00 0.00 0.00 36.38 35.81 1u1i s VAL 3 CO 0.03 0.19 0.21 0.86 0.00 0.00 0.00 175.10 176.39 1u1i s TRP 4 N 1.21 3.51 -0.20 5.22 -0.11 -0.55 -2.01 118.94 126.01 1u1i s TRP 4 Ca -0.07 0.53 0.01 0.00 1.22 0.00 0.00 56.10 57.79 1u1i s TRP 4 Cb -0.13 -2.16 0.04 0.00 -1.50 0.00 0.00 33.47 29.71 1u1i s TRP 4 CO -0.02 0.44 -0.13 -0.51 -4.62 0.00 0.00 176.95 172.11 1u1i s LEU 5 N -0.16 2.41 0.50 5.86 1.02 0.30 -1.02 118.68 127.60 1u1i s LEU 5 Ca 0.14 -0.89 -0.23 0.00 0.02 0.00 0.00 54.13 53.17 1u1i s LEU 5 Cb -0.12 -1.35 -0.07 0.00 0.02 0.00 0.00 46.19 44.67 1u1i s LEU 5 CO 0.03 -0.11 1.34 0.52 0.02 0.00 0.00 176.35 178.15 1u1i n VAL 6 N 4.63 3.35 -3.48 -1.59 0.31 -0.09 -2.31 118.33 119.14 1u1i n VAL 6 Ca -0.16 -0.50 -0.18 0.00 -0.01 0.00 0.00 64.34 63.49 1u1i n VAL 6 Cb 0.47 -1.66 0.08 0.00 -0.91 0.00 0.00 33.84 31.82 1u1i n VAL 6 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u1i n GLY 7 N 0.75 -0.36 0.32 2.92 0.00 0.16 -3.64 105.19 105.34 1u1i n GLY 7 Ca 0.09 0.11 0.21 0.00 0.00 0.00 0.00 46.02 46.43 1u1i n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1i h ALA 8 N 0.90 1.01 -0.01 4.61 0.00 -1.05 -2.56 119.26 122.15 1u1i h ALA 8 Ca -0.59 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1u1i h ALA 8 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1u1i h ALA 8 CO 0.51 -0.01 -0.27 0.66 0.00 0.00 0.00 179.25 180.15 1u1i n TYR 9 N -2.97 0.00 -0.13 0.00 4.01 -1.26 -4.32 117.16 112.49 1u1i n TYR 9 Ca -0.03 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.58 1u1i n TYR 9 Cb 0.07 -0.05 0.12 0.00 -0.31 0.00 0.00 39.34 39.18 1u1i n TYR 9 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1u1i n GLY 10 N 1.35 -3.41 0.12 2.72 0.00 -0.97 -4.83 105.19 100.17 1u1i n GLY 10 Ca 0.12 -1.11 -0.21 0.00 0.00 0.00 0.00 46.02 44.81 1u1i n GLY 10 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1u1i h ILE 11 N -2.63 0.96 -0.11 -0.61 2.10 -1.92 -3.24 117.51 112.06 1u1i h ILE 11 Ca -0.16 -2.37 0.04 0.00 1.08 0.00 0.00 64.86 63.45 1u1i h ILE 11 Cb 0.55 2.64 -0.05 0.00 -1.09 0.00 0.00 36.82 38.87 1u1i h ILE 11 CO 0.10 0.70 -0.20 0.58 -1.08 0.00 0.00 178.15 178.25 1u1i h VAL 12 N -0.32 0.51 -0.18 2.19 2.07 -1.91 -0.81 116.25 117.80 1u1i h VAL 12 Ca -0.33 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.24 1u1i h VAL 12 Cb 1.76 0.51 -0.07 0.00 -1.52 0.00 0.00 31.29 31.96 1u1i h VAL 12 CO 0.04 0.00 -0.47 -1.28 0.02 0.00 0.00 177.57 175.87 1u1i h SER 13 N -0.26 -1.51 0.98 0.57 0.87 -1.85 -0.75 113.55 111.60 1u1i h SER 13 Ca 0.09 0.19 -0.04 0.00 -1.23 0.00 0.00 61.79 60.81 1u1i h SER 13 Cb 0.39 0.61 -0.01 0.00 -0.44 0.00 0.00 62.40 62.96 1u1i h SER 13 CO -0.26 -0.44 -0.19 0.71 -0.53 0.00 0.00 176.83 176.12 1u1i h THR 14 N -0.50 0.46 0.00 2.23 1.35 -1.57 0.60 112.91 115.48 1u1i h THR 14 Ca 0.07 -1.04 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 1u1i h THR 14 Cb 0.64 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 1u1i h THR 14 CO -0.45 0.19 0.00 0.74 -0.25 0.00 0.00 175.52 175.75 1u1i h THR 15 N 0.00 0.00 0.15 6.82 2.02 0.21 0.59 112.91 122.70 1u1i h THR 15 Ca -0.00 -0.45 -0.35 0.00 0.77 0.00 0.00 66.41 66.37 1u1i h THR 15 Cb 0.73 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 1u1i h THR 15 CO 0.02 0.00 -1.84 0.00 0.37 0.00 0.00 175.52 174.08 1u1i h ALA 16 N 2.23 0.31 0.62 6.16 0.00 0.15 -3.07 119.26 125.66 1u1i h ALA 16 Ca 0.00 -1.26 -0.03 0.00 0.00 0.00 0.00 54.91 53.62 1u1i h ALA 16 Cb 0.57 0.55 0.01 0.00 0.00 0.00 0.00 17.79 18.92 1u1i h ALA 16 CO 0.00 1.18 -0.30 0.52 0.00 0.00 0.00 179.25 180.66 1u1i h MET 17 N 0.08 -0.80 0.04 0.00 2.86 -0.68 -1.50 114.93 114.93 1u1i h MET 17 Ca -0.37 0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.36 1u1i h MET 17 Cb 2.06 0.18 -0.05 0.00 0.06 0.00 0.00 31.60 33.85 1u1i h MET 17 CO 0.14 -0.53 -0.39 0.28 1.06 0.00 0.00 176.91 177.46 1u1i h VAL 18 N -0.96 0.19 -0.69 -2.22 2.07 0.02 -1.73 116.25 112.93 1u1i h VAL 18 Ca -0.09 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.58 1u1i h VAL 18 Cb 0.64 0.19 -0.10 0.00 -1.52 0.00 0.00 31.29 30.50 1u1i h VAL 18 CO 0.14 0.00 0.16 1.23 0.02 0.00 0.00 177.57 179.12 1u1i h GLY 19 N -0.58 0.93 -0.14 2.17 0.00 -1.64 0.08 103.07 103.91 1u1i h GLY 19 Ca 0.04 -0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.35 1u1i h GLY 19 CO -0.28 -0.16 -0.15 0.00 0.00 0.00 0.00 176.54 175.95 1u1i h ALA 20 N 1.56 -0.37 -0.86 3.60 0.00 -0.36 0.50 119.26 123.33 1u1i h ALA 20 Ca 0.38 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 1u1i h ALA 20 Cb 0.61 0.87 -0.04 0.00 0.00 0.00 0.00 17.79 19.23 1u1i h ALA 20 CO -0.47 -0.45 0.45 0.00 0.00 0.00 0.00 179.25 178.79 1u1i h ARG 21 N -0.09 1.21 -0.99 0.00 2.47 -1.21 1.51 114.38 117.29 1u1i h ARG 21 Ca 0.02 -0.15 0.21 0.00 -1.26 0.00 0.00 59.98 58.80 1u1i h ARG 21 Cb 0.15 -0.23 -0.10 0.00 -1.65 0.00 0.00 29.97 28.14 1u1i h ARG 21 CO -0.17 0.90 0.62 0.00 0.56 0.00 0.00 179.97 181.88 1u1i h ALA 22 N 1.24 1.94 0.00 0.04 0.00 -0.39 0.30 119.26 122.39 1u1i h ALA 22 Ca 0.30 0.06 -0.17 0.00 0.00 0.00 0.00 54.91 55.10 1u1i h ALA 22 Cb 0.06 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1u1i h ALA 22 CO -0.04 -0.31 -1.78 -0.89 0.00 0.00 0.00 179.25 176.23 1u1i n ILE 23 N -4.68 0.92 -0.21 0.00 5.41 0.17 -1.64 119.36 119.34 1u1i n ILE 23 Ca 0.23 -0.68 -0.09 0.00 1.00 0.00 0.00 62.75 63.21 1u1i n ILE 23 Cb 0.68 -0.47 0.02 0.00 -0.71 0.00 0.00 39.64 39.17 1u1i n ILE 23 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1u1i h GLU 24 N 0.00 0.96 -0.22 0.38 5.08 0.30 -3.17 114.58 117.92 1u1i h GLU 24 Ca -0.21 -0.25 -0.09 0.00 -1.00 0.00 0.00 59.36 57.80 1u1i h GLU 24 Cb 1.58 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.71 1u1i h GLU 24 CO 0.03 0.91 -0.23 0.00 -1.00 0.00 0.00 179.01 178.72 1u1i h ARG 25 N 0.86 0.54 0.00 2.33 3.08 -1.14 -3.48 114.38 116.57 1u1i h ARG 25 Ca 0.18 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.94 1u1i h ARG 25 Cb 0.41 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1u1i h ARG 25 CO 0.01 0.88 0.00 0.41 -1.07 0.00 0.00 179.97 180.20 1u1i n GLY 26 N 0.20 1.06 1.88 0.04 0.00 -1.16 -5.00 105.19 102.21 1u1i n GLY 26 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.96 1u1i n GLY 26 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1u1i n ILE 27 N 0.00 2.69 -3.54 -0.61 -5.35 -0.65 -4.92 119.36 106.98 1u1i n ILE 27 Ca 0.00 -1.42 -0.09 0.00 -0.27 0.00 0.00 62.75 60.97 1u1i n ILE 27 Cb 0.00 -0.35 -0.03 0.00 -1.74 0.00 0.00 39.64 37.51 1u1i n ILE 27 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1u1i s ALA 28 N -2.74 -1.88 0.51 -1.28 0.00 -1.01 -4.87 121.76 110.48 1u1i s ALA 28 Ca 0.51 1.30 -0.03 0.00 0.00 0.00 0.00 51.96 53.74 1u1i s ALA 28 Cb 0.40 -0.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.42 1u1i s ALA 28 CO 0.14 -0.51 0.77 -1.25 0.00 0.00 0.00 175.76 174.91 1u1i s PRO 29 N -2.17 3.07 -0.01 0.00 0.04 -1.26 -4.64 135.00 130.03 1u1i s PRO 29 Ca 0.02 -0.21 0.14 0.00 0.04 0.00 0.00 61.00 60.99 1u1i s PRO 29 Cb -0.01 -2.42 0.41 0.00 0.04 0.00 0.00 34.50 32.52 1u1i s PRO 29 CO -0.04 -0.42 1.34 1.63 0.04 0.00 0.00 177.00 179.55 1u1i n LYS 30 N -2.29 2.16 -1.57 4.56 4.01 -1.26 -4.92 118.16 118.85 1u1i n LYS 30 Ca 0.02 -1.68 -0.44 0.00 -0.51 0.00 0.00 58.31 55.71 1u1i n LYS 30 Cb 0.57 -1.40 -0.01 0.00 -0.51 0.00 0.00 35.03 33.69 1u1i n LYS 30 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 1u1i n ILE 31 N 0.82 2.05 -0.20 -0.18 5.41 -1.26 -1.66 119.36 124.34 1u1i n ILE 31 Ca 0.16 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.41 1u1i n ILE 31 Cb 0.42 -0.92 0.00 0.00 -0.71 0.00 0.00 39.64 38.43 1u1i n ILE 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1u1i n GLY 32 N 1.32 1.37 3.71 7.39 0.00 -1.26 -5.03 105.19 112.69 1u1i n GLY 32 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 1u1i n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1i s LEU 33 N 0.00 4.21 0.11 0.99 1.43 -0.67 -4.71 118.68 120.03 1u1i s LEU 33 Ca 0.00 0.42 0.03 0.00 -1.03 0.00 0.00 54.13 53.56 1u1i s LEU 33 Cb 0.00 -2.33 -0.23 0.00 0.03 0.00 0.00 46.19 43.66 1u1i s LEU 33 CO 0.00 0.08 1.23 0.58 0.23 0.00 0.00 176.35 178.47 1u1i h VAL 34 N 4.78 1.65 0.00 -1.59 2.07 -1.89 -3.00 116.25 118.27 1u1i h VAL 34 Ca -0.40 -3.31 0.00 0.00 0.82 0.00 0.00 66.70 63.81 1u1i h VAL 34 Cb 1.16 2.88 0.00 0.00 -1.52 0.00 0.00 31.29 33.81 1u1i h VAL 34 CO 0.74 0.95 0.00 -1.20 0.02 0.00 0.00 177.57 178.08 1u1i n SER 35 N -3.41 0.00 -1.10 0.57 7.64 -1.26 -2.14 113.62 113.93 1u1i n SER 35 Ca -0.03 0.33 0.11 0.00 1.01 0.00 0.00 58.87 60.29 1u1i n SER 35 Cb 0.97 -0.42 0.23 0.00 -1.01 0.00 0.00 64.21 63.97 1u1i n SER 35 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1u1i n GLU 36 N -1.42 2.50 -2.60 1.43 -0.58 -1.13 -4.74 120.64 114.09 1u1i n GLU 36 Ca 0.06 -2.30 -0.41 0.00 -0.42 0.00 0.00 57.16 54.09 1u1i n GLU 36 Cb 0.19 -1.48 -0.04 0.00 -0.57 0.00 0.00 31.44 29.54 1u1i n GLU 36 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1u1i s LEU 37 N -1.24 4.47 0.20 -4.62 1.43 -0.91 -4.95 118.68 113.06 1u1i s LEU 37 Ca 0.38 1.94 -0.11 0.00 -1.03 0.00 0.00 54.13 55.31 1u1i s LEU 37 Cb 0.21 -3.59 0.26 0.00 0.03 0.00 0.00 46.19 43.10 1u1i s LEU 37 CO 0.29 -0.19 1.22 -2.65 0.23 0.00 0.00 176.35 175.25 1u1i n PRO 38 N 2.81 -0.14 -0.32 1.29 -0.01 -1.26 -1.05 135.00 136.31 1u1i n PRO 38 Ca 0.03 1.22 0.31 0.00 -0.01 0.00 0.00 63.50 65.05 1u1i n PRO 38 Cb 0.48 -1.81 0.56 0.00 -0.01 0.00 0.00 33.50 32.72 1u1i n PRO 38 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 175.50 177.07 1u1i n HIS 39 N -5.21 1.01 -1.07 6.00 -0.00 -1.26 -0.12 115.22 114.57 1u1i n HIS 39 Ca 0.10 1.02 -0.09 0.00 0.46 0.00 0.00 57.72 59.21 1u1i n HIS 39 Cb 0.35 -1.43 0.29 0.00 -0.12 0.00 0.00 29.99 29.08 1u1i n HIS 39 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1u1i n PHE 40 N -5.01 2.59 -2.06 1.57 3.72 -0.22 -4.92 117.46 113.13 1u1i n PHE 40 Ca 0.36 -1.30 -0.41 0.00 -0.05 0.00 0.00 57.45 56.05 1u1i n PHE 40 Cb 1.25 -0.73 -0.03 0.00 -0.94 0.00 0.00 39.48 39.02 1u1i n PHE 40 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1u1i s GLU 41 N -3.04 3.11 0.00 -1.08 2.12 0.84 -2.19 118.70 118.45 1u1i s GLU 41 Ca 0.56 1.07 0.00 0.00 0.36 0.00 0.00 54.97 56.96 1u1i s GLU 41 Cb 0.45 -4.24 0.00 0.00 0.26 0.00 0.00 34.13 30.60 1u1i s GLU 41 CO 0.13 -2.14 0.00 0.41 -0.54 0.00 0.00 175.26 173.13 1u1i n GLY 42 N 5.48 0.62 0.09 -1.50 0.00 -1.26 -5.00 105.19 103.61 1u1i n GLY 42 Ca 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.19 1u1i n GLY 42 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1u1i h ILE 43 N 0.00 1.30 0.00 -0.61 2.10 -1.80 -3.30 117.51 115.21 1u1i h ILE 43 Ca 0.00 -2.92 -0.00 0.00 1.08 0.00 0.00 64.86 63.01 1u1i h ILE 43 Cb 0.00 2.63 -0.00 0.00 -1.09 0.00 0.00 36.82 38.36 1u1i h ILE 43 CO 0.00 0.74 -0.02 1.05 -1.08 0.00 0.00 178.15 178.84 1u1i h GLU 44 N 0.00 0.00 0.00 2.19 9.09 -1.84 0.95 114.58 124.97 1u1i h GLU 44 Ca -0.05 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.36 1u1i h GLU 44 Cb 1.69 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.79 1u1i h GLU 44 CO 0.10 0.02 0.00 0.36 0.05 0.00 0.00 179.01 179.54 1u1i n LYS 45 N -3.37 0.17 -0.02 1.06 2.85 -1.24 -1.80 118.16 115.81 1u1i n LYS 45 Ca -0.02 0.31 -0.02 0.00 -1.05 0.00 0.00 58.31 57.53 1u1i n LYS 45 Cb 0.13 -1.78 -0.03 0.00 -0.65 0.00 0.00 35.03 32.70 1u1i n LYS 45 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1u1i n TYR 46 N -2.09 0.00 -2.85 5.58 0.53 -0.08 -4.91 117.16 113.34 1u1i n TYR 46 Ca 0.04 0.00 -0.12 0.00 -1.02 0.00 0.00 57.90 56.80 1u1i n TYR 46 Cb 0.29 -0.18 0.04 0.00 -1.03 0.00 0.00 39.34 38.46 1u1i n TYR 46 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1u1i n ALA 47 N -2.14 -0.29 -1.13 -0.72 0.00 0.31 -4.65 120.51 111.88 1u1i n ALA 47 Ca -0.06 -1.91 -0.30 0.00 0.00 0.00 0.00 53.44 51.17 1u1i n ALA 47 Cb 0.62 -1.16 0.13 0.00 0.00 0.00 0.00 19.45 19.04 1u1i n ALA 47 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1u1i s PRO 48 N -0.08 1.40 -0.78 0.00 0.04 -0.74 -4.37 135.00 130.46 1u1i s PRO 48 Ca 0.30 1.00 -0.26 0.00 0.04 0.00 0.00 61.00 62.08 1u1i s PRO 48 Cb 0.26 -1.81 -0.01 0.00 0.04 0.00 0.00 34.50 32.98 1u1i s PRO 48 CO -0.14 -2.19 1.71 0.12 0.04 0.00 0.00 177.00 176.54 1u1i s PHE 49 N -2.87 1.95 -0.29 0.56 5.36 -1.26 -4.70 117.98 116.73 1u1i s PHE 49 Ca 0.63 0.34 -0.15 0.00 -0.96 0.00 0.00 56.93 56.79 1u1i s PHE 49 Cb -0.19 -4.27 0.12 0.00 -0.34 0.00 0.00 43.02 38.34 1u1i s PHE 49 CO 0.57 -2.05 0.81 0.45 -1.46 0.00 0.00 175.22 173.54 1u1i s SER 50 N 6.76 -0.78 -0.01 6.13 0.15 -1.26 -4.93 113.70 119.76 1u1i s SER 50 Ca 0.58 1.21 0.02 0.00 0.70 0.00 0.00 55.95 58.46 1u1i s SER 50 Cb -0.08 1.47 -0.00 0.00 -1.71 0.00 0.00 66.02 65.70 1u1i s SER 50 CO 0.09 -0.19 -0.06 -0.36 1.20 0.00 0.00 173.24 173.92 1u1i s PHE 51 N 1.78 0.59 -0.04 3.44 0.40 -1.26 0.19 117.98 123.07 1u1i s PHE 51 Ca -0.08 -0.11 0.06 0.00 -0.60 0.00 0.00 56.93 56.20 1u1i s PHE 51 Cb -0.06 -0.39 -0.02 0.00 0.51 0.00 0.00 43.02 43.06 1u1i s PHE 51 CO -0.18 -0.02 -0.24 -1.21 0.70 0.00 0.00 175.22 174.27 1u1i s GLU 52 N -0.06 2.38 0.15 0.44 2.02 0.24 -4.86 118.70 119.01 1u1i s GLU 52 Ca 0.01 -0.88 0.10 0.00 0.02 0.00 0.00 54.97 54.22 1u1i s GLU 52 Cb -0.03 -2.16 -0.04 0.00 0.10 0.00 0.00 34.13 32.00 1u1i s GLU 52 CO -0.00 0.49 -0.22 -0.06 0.02 0.00 0.00 175.26 175.49 1u1i s PHE 53 N -0.42 2.02 0.15 1.61 0.08 -1.26 0.74 117.98 120.90 1u1i s PHE 53 Ca 0.04 -0.41 -0.25 0.00 0.12 0.00 0.00 56.93 56.44 1u1i s PHE 53 Cb -0.12 -1.04 0.06 0.00 -0.57 0.00 0.00 43.02 41.35 1u1i s PHE 53 CO 0.01 0.35 0.86 0.20 -0.10 0.00 0.00 175.22 176.54 1u1i s GLY 54 N -2.37 -0.29 0.00 4.36 0.00 -0.85 -4.89 107.32 103.28 1u1i s GLY 54 Ca 0.14 0.24 0.00 0.00 0.00 0.00 0.00 44.72 45.10 1u1i s GLY 54 CO 0.07 0.06 0.00 0.61 0.00 0.00 0.00 173.10 173.84 1u1i n GLY 55 N -0.42 -1.39 3.43 0.20 0.00 -1.26 0.11 105.19 105.86 1u1i n GLY 55 Ca -0.07 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.63 1u1i n GLY 55 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u1i s HIS 56 N -2.34 2.51 -0.04 1.61 3.76 -1.07 -2.34 115.29 117.39 1u1i s HIS 56 Ca 0.00 -0.29 -0.13 0.00 -0.15 0.00 0.00 55.06 54.49 1u1i s HIS 56 Cb 0.00 -1.46 0.02 0.00 1.11 0.00 0.00 32.58 32.26 1u1i s HIS 56 CO 0.00 0.22 0.30 -1.21 -0.85 0.00 0.00 174.74 173.19 1u1i s GLU 57 N -1.35 0.56 0.00 1.40 0.41 -0.74 0.41 118.70 119.38 1u1i s GLU 57 Ca 0.14 -0.02 0.07 0.00 -0.41 0.00 0.00 54.97 54.75 1u1i s GLU 57 Cb -0.10 0.25 0.07 0.00 -1.78 0.00 0.00 34.13 32.57 1u1i s GLU 57 CO 0.04 -0.13 0.76 0.44 -0.49 0.00 0.00 175.26 175.88 1u1i n ILE 58 N 1.79 0.10 -2.96 -1.63 -5.35 -1.26 0.92 119.36 110.98 1u1i n ILE 58 Ca -0.19 -0.55 -0.33 0.00 -0.27 0.00 0.00 62.75 61.40 1u1i n ILE 58 Cb 0.56 1.08 -0.02 0.00 -1.74 0.00 0.00 39.64 39.52 1u1i n ILE 58 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 1u1i n ARG 59 N 0.36 3.94 -1.14 6.28 0.63 -1.26 -4.83 116.66 120.64 1u1i n ARG 59 Ca 0.04 -4.73 -0.55 0.00 -0.92 0.00 0.00 57.85 51.70 1u1i n ARG 59 Cb 0.19 -2.35 -0.11 0.00 0.45 0.00 0.00 32.46 30.64 1u1i n ARG 59 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1u1i n LEU 60 N 0.25 0.68 -4.49 6.15 7.94 -1.26 -4.97 117.00 121.31 1u1i n LEU 60 Ca 0.35 0.62 -0.28 0.00 -1.11 0.00 0.00 56.01 55.59 1u1i n LEU 60 Cb 0.35 -0.82 -0.11 0.00 0.53 0.00 0.00 43.42 43.37 1u1i n LEU 60 CO 0.46 -0.70 -0.48 -0.76 -1.11 0.00 0.00 177.39 174.80 1u1i s LEU 61 N 5.42 2.67 0.41 -1.96 1.43 -1.26 -5.03 118.68 120.36 1u1i s LEU 61 Ca 1.09 -0.67 0.08 0.00 -1.03 0.00 0.00 54.13 53.59 1u1i s LEU 61 Cb -1.36 -1.44 0.88 0.00 0.03 0.00 0.00 46.19 44.29 1u1i s LEU 61 CO 0.60 0.14 2.04 0.28 0.23 0.00 0.00 176.35 179.64 1u1i h SER 62 N 3.32 0.41 -5.37 2.29 0.02 -1.98 -3.45 113.55 108.80 1u1i h SER 62 Ca -0.48 -0.02 0.20 0.00 -0.84 0.00 0.00 61.79 60.65 1u1i h SER 62 Cb 1.19 -0.10 -0.09 0.00 0.14 0.00 0.00 62.40 63.54 1u1i h SER 62 CO 0.49 0.33 0.54 0.54 -1.14 0.00 0.00 176.83 177.58 1u1i s ASN 63 N -6.74 -0.16 0.37 3.07 2.20 -1.26 -4.81 114.94 107.61 1u1i s ASN 63 Ca -0.08 -0.35 0.07 0.00 -0.94 0.00 0.00 52.86 51.56 1u1i s ASN 63 Cb 0.17 0.43 0.78 0.00 -2.00 0.00 0.00 41.25 40.64 1u1i s ASN 63 CO 0.73 -0.80 1.96 0.00 -2.94 0.00 0.00 177.10 176.05 1u1i h ALA 64 N 2.00 1.74 -0.56 3.54 0.00 -1.42 -2.42 119.26 122.13 1u1i h ALA 64 Ca -0.25 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 1u1i h ALA 64 Cb 1.23 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1u1i h ALA 64 CO 0.26 0.15 -0.04 -0.92 0.00 0.00 0.00 179.25 178.70 1u1i h TYR 65 N 0.70 1.12 -0.66 0.00 3.20 -1.82 0.64 116.97 120.16 1u1i h TYR 65 Ca 0.30 -0.21 0.05 0.00 3.14 0.00 0.00 58.73 62.01 1u1i h TYR 65 Cb 0.28 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 38.23 1u1i h TYR 65 CO -0.00 1.02 0.44 0.93 -1.64 0.00 0.00 178.16 178.90 1u1i h GLU 66 N 0.90 0.70 0.00 1.82 3.07 -1.78 0.21 114.58 119.50 1u1i h GLU 66 Ca 0.15 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 58.94 1u1i h GLU 66 Cb 0.60 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 1u1i h GLU 66 CO 0.04 0.46 -0.34 0.00 -1.40 0.00 0.00 179.01 177.77 1u1i h ALA 67 N 1.63 0.83 0.00 3.43 0.00 -1.25 -3.22 119.26 120.68 1u1i h ALA 67 Ca 0.28 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1u1i h ALA 67 Cb 0.18 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1u1i h ALA 67 CO -0.08 0.21 -0.57 0.00 0.00 0.00 0.00 179.25 178.80 1u1i h ALA 68 N 1.84 0.78 0.01 0.00 0.00 0.17 -3.21 119.26 118.85 1u1i h ALA 68 Ca -0.01 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 1u1i h ALA 68 Cb 1.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1u1i h ALA 68 CO 0.02 0.72 -0.09 0.87 0.00 0.00 0.00 179.25 180.77 1u1i h LYS 69 N 0.00 0.04 -0.90 0.00 1.57 -1.14 -2.47 116.57 113.66 1u1i h LYS 69 Ca -0.01 -0.06 0.05 0.00 -1.87 0.00 0.00 60.65 58.77 1u1i h LYS 69 Cb 1.24 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.51 1u1i h LYS 69 CO 0.07 0.95 0.57 1.49 -0.57 0.00 0.00 179.45 181.97 1u1i h GLU 70 N -0.85 1.04 -0.07 3.15 4.81 -1.65 1.52 114.58 122.53 1u1i h GLU 70 Ca -0.01 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.06 1u1i h GLU 70 Cb 0.99 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 1u1i h GLU 70 CO 0.02 0.69 -0.40 0.45 -0.73 0.00 0.00 179.01 179.03 1u1i h HIS 71 N 1.07 0.17 0.03 0.92 3.86 -1.66 -3.06 115.15 116.46 1u1i h HIS 71 Ca 0.38 -0.04 -0.09 0.00 -1.16 0.00 0.00 60.37 59.46 1u1i h HIS 71 Cb 0.11 -0.04 0.01 0.00 1.06 0.00 0.00 27.41 28.55 1u1i h HIS 71 CO -0.02 0.53 -0.36 2.35 0.86 0.00 0.00 177.93 181.29 1u1i h TRP 72 N 0.12 0.31 0.00 2.45 7.01 -0.41 -2.66 115.95 122.77 1u1i h TRP 72 Ca 0.01 -0.19 0.00 0.00 2.11 0.00 0.00 58.89 60.82 1u1i h TRP 72 Cb 0.77 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 27.80 1u1i h TRP 72 CO 0.01 1.05 0.00 1.49 -2.79 0.00 0.00 178.44 178.20 1u1i h GLU 73 N -0.51 0.00 0.00 2.65 4.57 0.20 1.49 114.58 122.98 1u1i h GLU 73 Ca -0.05 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.80 1u1i h GLU 73 Cb 1.17 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.70 1u1i h GLU 73 CO 0.07 0.00 -2.23 1.28 -1.18 0.00 0.00 179.01 176.95 1u1i n LEU 74 N -2.54 0.01 -0.05 1.64 4.77 -1.16 -4.78 117.00 114.90 1u1i n LEU 74 Ca -0.01 -0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.91 1u1i n LEU 74 Cb 0.08 0.44 -0.06 0.00 -2.33 0.00 0.00 43.42 41.55 1u1i n LEU 74 CO 0.15 0.45 -0.81 0.59 -1.33 0.00 0.00 177.39 176.43 1u1i n ASN 75 N -2.67 2.91 -3.70 -1.43 3.02 -0.43 -5.01 115.26 107.96 1u1i n ASN 75 Ca -0.29 -0.02 -0.28 0.00 -0.03 0.00 0.00 54.58 53.96 1u1i n ASN 75 Cb 1.09 0.47 0.00 0.00 -0.61 0.00 0.00 39.78 40.73 1u1i n ASN 75 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1u1i n ARG 76 N -2.47 -4.00 0.00 3.52 5.12 0.50 -4.80 116.66 114.53 1u1i n ARG 76 Ca -0.16 0.50 0.06 0.00 -1.93 0.00 0.00 57.85 56.32 1u1i n ARG 76 Cb 0.77 -5.28 0.26 0.00 -1.16 0.00 0.00 32.46 27.05 1u1i n ARG 76 CO 0.00 0.00 0.00 -2.39 -1.93 0.00 0.00 177.63 173.31 1u1i n HIS 77 N -4.27 0.00 -3.99 -1.55 1.44 -1.26 -4.74 115.22 100.84 1u1i n HIS 77 Ca 0.02 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.64 1u1i n HIS 77 Cb 0.53 -0.45 -0.05 0.00 0.12 0.00 0.00 29.99 30.14 1u1i n HIS 77 CO 0.00 0.00 0.00 -0.59 -2.81 0.00 0.00 176.34 172.94 1u1i s PHE 78 N -2.90 0.34 0.55 -1.40 -0.71 -1.26 -5.02 117.98 107.57 1u1i s PHE 78 Ca 0.07 -0.71 -0.20 0.00 -1.04 0.00 0.00 56.93 55.05 1u1i s PHE 78 Cb 0.08 0.22 -0.06 0.00 -1.21 0.00 0.00 43.02 42.05 1u1i s PHE 78 CO 0.21 -1.02 1.04 -0.25 -1.34 0.00 0.00 175.22 173.86 1u1i n ASP 79 N -0.42 1.21 0.20 1.98 10.43 -1.26 -4.88 116.55 123.81 1u1i n ASP 79 Ca -0.02 0.89 0.06 0.00 2.57 0.00 0.00 54.79 58.29 1u1i n ASP 79 Cb 0.62 -1.41 0.39 0.00 1.84 0.00 0.00 41.12 42.56 1u1i n ASP 79 CO 0.00 0.00 0.00 0.08 -1.07 0.00 0.00 177.20 176.21 1u1i h ARG 80 N 0.92 0.00 0.26 -1.24 0.11 -2.00 -3.17 114.38 109.27 1u1i h ARG 80 Ca -0.48 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.59 1u1i h ARG 80 Cb 1.35 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.43 1u1i h ARG 80 CO 0.53 0.35 -0.13 1.49 0.10 0.00 0.00 179.97 182.32 1u1i h GLU 81 N 0.00 -0.34 -0.50 0.08 4.81 -1.99 -0.46 114.58 116.18 1u1i h GLU 81 Ca -0.00 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.35 1u1i h GLU 81 Cb 0.77 0.08 -0.09 0.00 0.63 0.00 0.00 28.75 30.14 1u1i h GLU 81 CO 0.05 -0.21 -0.06 0.82 -0.73 0.00 0.00 179.01 178.88 1u1i h ILE 82 N -0.38 0.55 0.01 2.32 2.04 -1.90 0.73 117.51 120.88 1u1i h ILE 82 Ca -0.04 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 1u1i h ILE 82 Cb 0.29 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1u1i h ILE 82 CO 0.06 0.01 -0.01 0.25 0.00 0.00 0.00 178.15 178.46 1u1i h LEU 83 N 0.06 -0.01 -1.24 1.44 5.85 -1.54 -1.94 115.31 117.93 1u1i h LEU 83 Ca 0.25 -0.08 0.12 0.00 0.84 0.00 0.00 57.88 59.01 1u1i h LEU 83 Cb 0.38 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.35 1u1i h LEU 83 CO -0.47 0.07 0.57 -0.33 -0.34 0.00 0.00 178.44 177.95 1u1i h GLU 84 N -0.10 0.76 -0.55 1.25 5.08 -0.09 0.43 114.58 121.37 1u1i h GLU 84 Ca -0.00 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 1u1i h GLU 84 Cb 0.09 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1u1i h GLU 84 CO 0.00 0.50 -0.01 0.00 -1.00 0.00 0.00 179.01 178.51 1u1i h ALA 85 N 1.58 0.95 0.00 3.43 0.00 -0.53 -3.30 119.26 121.38 1u1i h ALA 85 Ca 0.43 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1u1i h ALA 85 Cb 0.57 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1u1i h ALA 85 CO -0.20 0.63 -1.20 0.28 0.00 0.00 0.00 179.25 178.77 1u1i n VAL 86 N -4.19 0.78 -0.33 0.00 0.31 -0.36 -4.52 118.33 110.02 1u1i n VAL 86 Ca 0.03 -0.59 0.04 0.00 -0.01 0.00 0.00 64.34 63.80 1u1i n VAL 86 Cb 0.33 -0.45 0.11 0.00 -0.91 0.00 0.00 33.84 32.93 1u1i n VAL 86 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 1u1i h LYS 87 N 0.00 -0.01 -0.76 5.55 5.09 -1.06 0.64 116.57 126.03 1u1i h LYS 87 Ca -0.06 0.00 0.08 0.00 0.09 0.00 0.00 60.65 60.76 1u1i h LYS 87 Cb 1.20 0.00 -0.05 0.00 0.10 0.00 0.00 32.23 33.48 1u1i h LYS 87 CO 0.01 -0.00 0.50 0.77 -2.09 0.00 0.00 179.45 178.64 1u1i h SER 88 N -0.01 0.66 0.03 7.07 0.02 -1.82 0.29 113.55 119.79 1u1i h SER 88 Ca 0.42 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.38 1u1i h SER 88 Cb 0.66 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1u1i h SER 88 CO -0.94 0.41 -0.02 0.44 -1.14 0.00 0.00 176.83 175.58 1u1i h ASP 89 N 0.74 -0.04 -0.32 3.07 3.45 -0.06 -3.27 116.42 119.99 1u1i h ASP 89 Ca 0.34 -0.50 0.09 0.00 0.43 0.00 0.00 57.03 57.39 1u1i h ASP 89 Cb 0.35 0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 39.12 1u1i h ASP 89 CO -0.12 0.69 0.27 -0.07 -1.57 0.00 0.00 179.24 178.44 1u1i h LEU 90 N -0.97 0.00 -1.19 1.55 -0.00 -1.06 0.24 115.31 113.88 1u1i h LEU 90 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1u1i h LEU 90 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.20 1u1i h LEU 90 CO 0.01 0.00 0.00 -0.08 -0.00 0.00 0.00 178.44 178.37 1u1i h GLU 91 N 0.00 0.00 0.00 1.13 4.22 -0.48 -2.37 114.58 117.08 1u1i h GLU 91 Ca 0.15 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.59 1u1i h GLU 91 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1u1i h GLU 91 CO -0.00 0.00 -0.41 0.41 -2.18 0.00 0.00 179.01 176.83 1u1i n GLY 92 N 0.04 -1.35 3.67 1.92 0.00 0.83 -4.81 105.19 105.50 1u1i n GLY 92 Ca 0.01 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 1u1i n GLY 92 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1i s ILE 93 N -3.04 5.11 -0.09 -0.61 1.01 -0.90 -5.05 121.20 117.62 1u1i s ILE 93 Ca 0.11 0.99 0.02 0.00 0.00 0.00 0.00 60.65 61.77 1u1i s ILE 93 Cb 0.17 -3.85 0.01 0.00 0.01 0.00 0.00 42.46 38.80 1u1i s ILE 93 CO 0.67 0.19 -0.15 -0.69 0.00 0.00 0.00 174.94 174.96 1u1i s VAL 94 N 1.49 1.44 0.36 2.92 1.01 -1.26 -2.04 120.40 124.32 1u1i s VAL 94 Ca 0.25 -0.63 -0.26 0.00 0.00 0.00 0.00 61.98 61.34 1u1i s VAL 94 Cb -0.15 -1.30 -0.09 0.00 0.00 0.00 0.00 36.38 34.83 1u1i s VAL 94 CO 0.10 0.43 1.11 0.00 0.00 0.00 0.00 175.10 176.74 1u1i s ALA 95 N 0.81 3.21 -0.15 5.51 0.00 -1.26 -4.74 121.76 125.14 1u1i s ALA 95 Ca -0.11 0.87 -0.06 0.00 0.00 0.00 0.00 51.96 52.66 1u1i s ALA 95 Cb -0.16 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 1u1i s ALA 95 CO 0.02 -0.33 0.06 1.03 0.00 0.00 0.00 175.76 176.54 1u1i s ARG 96 N -2.10 3.64 -0.25 0.00 0.52 -0.99 -4.90 118.95 114.86 1u1i s ARG 96 Ca 0.53 -0.33 -0.41 0.00 -0.52 0.00 0.00 55.73 55.01 1u1i s ARG 96 Cb -0.29 -3.10 -0.16 0.00 0.52 0.00 0.00 34.95 31.92 1u1i s ARG 96 CO 0.36 0.46 1.66 1.17 0.02 0.00 0.00 175.30 178.97 1u1i n LYS 97 N 2.93 0.97 -2.10 3.54 3.00 -1.26 -1.80 118.16 123.43 1u1i n LYS 97 Ca -0.18 0.35 -0.11 0.00 -0.00 0.00 0.00 58.31 58.38 1u1i n LYS 97 Cb 0.53 -2.00 0.04 0.00 0.00 0.00 0.00 35.03 33.60 1u1i n LYS 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1u1i n GLY 98 N 3.88 1.95 3.98 3.14 0.00 0.26 -4.69 105.19 113.71 1u1i n GLY 98 Ca 0.26 -2.18 -0.20 0.00 0.00 0.00 0.00 46.02 43.89 1u1i n GLY 98 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1u1i s THR 99 N -1.01 4.88 -0.29 2.61 -1.32 -1.26 -4.53 115.64 114.72 1u1i s THR 99 Ca 0.34 -0.97 0.19 0.00 -1.21 0.00 0.00 61.69 60.04 1u1i s THR 99 Cb -0.03 -3.72 0.47 0.00 -1.51 0.00 0.00 72.50 67.72 1u1i s THR 99 CO 0.21 -0.28 1.25 0.00 -2.21 0.00 0.00 174.62 173.59 1u1i n ALA 100 N -1.50 2.69 -2.26 11.08 0.00 -1.26 -4.81 120.51 124.45 1u1i n ALA 100 Ca -0.06 -2.16 -0.43 0.00 0.00 0.00 0.00 53.44 50.79 1u1i n ALA 100 Cb 0.57 -0.86 -0.02 0.00 0.00 0.00 0.00 19.45 19.14 1u1i n ALA 100 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1u1i s LEU 101 N -3.89 4.24 -0.75 0.00 0.20 -1.26 -3.92 118.68 113.29 1u1i s LEU 101 Ca 0.21 1.91 -0.00 0.00 0.69 0.00 0.00 54.13 56.94 1u1i s LEU 101 Cb 0.37 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.59 1u1i s LEU 101 CO -0.07 -0.82 0.68 0.59 -0.29 0.00 0.00 176.35 176.43 1u1i n ASN 102 N 6.77 -7.10 -2.18 3.68 5.03 -1.26 -0.72 115.26 119.48 1u1i n ASN 102 Ca 0.15 -0.28 -0.27 0.00 0.87 0.00 0.00 54.58 55.05 1u1i n ASN 102 Cb 0.44 -4.44 0.03 0.00 -1.02 0.00 0.00 39.78 34.80 1u1i n ASN 102 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1u1i n GLY 104 N -0.72 0.54 3.27 0.00 0.00 -1.26 -4.29 105.19 102.73 1u1i n GLY 104 Ca 0.48 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 1u1i n GLY 104 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u1i s SER 105 N -4.00 5.75 0.00 1.61 0.01 -1.26 -4.42 113.70 111.39 1u1i s SER 105 Ca 0.00 -1.61 0.00 0.00 1.31 0.00 0.00 55.95 55.65 1u1i s SER 105 Cb 0.00 -2.03 0.00 0.00 0.21 0.00 0.00 66.02 64.20 1u1i s SER 105 CO 0.00 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 173.65 1u1i n GLY 106 N 4.97 0.00 1.94 3.44 0.00 -1.26 -4.66 105.19 109.62 1u1i n GLY 106 Ca -0.10 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.85 1u1i n GLY 106 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1u1i n ILE 107 N -0.05 2.19 -3.30 -0.61 3.06 -1.26 -4.58 119.36 114.81 1u1i n ILE 107 Ca 0.00 -0.97 -0.39 0.00 -2.50 0.00 0.00 62.75 58.89 1u1i n ILE 107 Cb 0.00 -1.75 -0.08 0.00 0.54 0.00 0.00 39.64 38.35 1u1i n ILE 107 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 1u1i s LYS 108 N 1.07 4.11 0.00 9.51 3.01 -1.26 -4.66 119.74 131.51 1u1i s LYS 108 Ca 0.38 0.26 0.00 0.00 -1.01 0.00 0.00 55.97 55.60 1u1i s LYS 108 Cb 0.18 -3.61 0.00 0.00 -1.01 0.00 0.00 37.83 33.39 1u1i s LYS 108 CO 0.00 -0.22 0.00 0.39 0.51 0.00 0.00 175.35 176.03 1u1i n GLU 109 N 5.10 0.00 -0.33 1.68 1.02 -1.26 -4.95 120.64 121.90 1u1i n GLU 109 Ca -0.06 0.00 0.19 0.00 -0.02 0.00 0.00 57.16 57.27 1u1i n GLU 109 Cb 0.50 0.00 0.44 0.00 -0.02 0.00 0.00 31.44 32.36 1u1i n GLU 109 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1u1i h LEU 110 N 0.00 0.57 0.00 -4.62 3.38 -1.88 -3.44 115.31 109.33 1u1i h LEU 110 Ca 0.00 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1u1i h LEU 110 Cb 0.00 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1u1i h LEU 110 CO 0.00 0.13 0.00 0.61 0.09 0.00 0.00 178.44 179.27 1u1i n GLY 111 N -1.40 -0.36 2.64 0.83 0.00 -1.26 -3.63 105.19 102.02 1u1i n GLY 111 Ca 0.25 0.11 -0.29 0.00 0.00 0.00 0.00 46.02 46.09 1u1i n GLY 111 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1u1i n ASP 112 N 0.14 3.87 -4.63 1.61 9.92 -1.26 -5.06 116.55 121.13 1u1i n ASP 112 Ca 0.00 -3.36 -0.35 0.00 -0.53 0.00 0.00 54.79 50.54 1u1i n ASP 112 Cb 0.00 -0.77 -0.10 0.00 -0.64 0.00 0.00 41.12 39.61 1u1i n ASP 112 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1u1i s ILE 113 N -2.18 4.93 -0.06 0.53 -1.16 -1.24 -5.09 121.20 116.93 1u1i s ILE 113 Ca 0.35 0.02 -0.00 0.00 -0.51 0.00 0.00 60.65 60.50 1u1i s ILE 113 Cb 0.08 -3.25 0.03 0.00 0.61 0.00 0.00 42.46 39.92 1u1i s ILE 113 CO -0.05 0.42 -0.02 -0.75 -2.81 0.00 0.00 174.94 171.73 1u1i s LYS 114 N 0.62 0.76 0.00 3.50 2.20 -1.26 -4.47 119.74 121.09 1u1i s LYS 114 Ca 0.05 -0.00 0.00 0.00 -0.36 0.00 0.00 55.97 55.65 1u1i s LYS 114 Cb -0.13 -0.96 0.00 0.00 -1.51 0.00 0.00 37.83 35.23 1u1i s LYS 114 CO 0.01 -0.21 0.00 2.41 -0.36 0.00 0.00 175.35 177.20 1u1i n THR 115 N 4.69 0.00 0.00 3.43 -1.04 -1.26 -4.84 114.28 115.26 1u1i n THR 115 Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 1u1i n THR 115 Cb 0.50 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 1u1i n THR 115 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1u1i n LEU 116 N 0.00 0.00 0.03 -4.42 -0.00 -1.26 -4.72 117.00 106.63 1u1i n LEU 116 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.90 1u1i n LEU 116 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 1u1i n LEU 116 CO 0.00 0.00 0.66 -0.08 -0.00 0.00 0.00 177.39 177.97 1u1i h GLU 117 N 0.00 -0.40 0.00 1.96 4.81 -1.91 0.28 114.58 119.31 1u1i h GLU 117 Ca 0.00 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1u1i h GLU 117 Cb 0.00 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1u1i h GLU 117 CO 0.00 -0.27 0.00 0.41 -0.73 0.00 0.00 179.01 178.42 1u1i n GLY 118 N -1.40 -0.84 2.36 1.92 0.00 -1.26 -3.19 105.19 102.78 1u1i n GLY 118 Ca -0.04 0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 1u1i n GLY 118 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1u1i n GLU 119 N -2.13 2.28 -1.61 1.61 4.07 0.09 -4.69 120.64 120.26 1u1i n GLU 119 Ca -0.01 -2.17 -0.11 0.00 -0.06 0.00 0.00 57.16 54.81 1u1i n GLU 119 Cb 0.04 -2.04 -0.04 0.00 -0.06 0.00 0.00 31.44 29.35 1u1i n GLU 119 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1u1i n GLY 120 N 0.79 0.64 3.81 8.31 0.00 -1.19 -4.84 105.19 112.71 1u1i n GLY 120 Ca 0.45 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.14 1u1i n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1i s LEU 121 N -3.98 3.95 0.00 0.99 1.02 -1.22 -5.08 118.68 114.36 1u1i s LEU 121 Ca 0.00 1.73 -0.07 0.00 0.02 0.00 0.00 54.13 55.82 1u1i s LEU 121 Cb 0.00 -4.52 0.10 0.00 0.02 0.00 0.00 46.19 41.79 1u1i s LEU 121 CO 0.00 -0.41 0.57 -1.54 0.02 0.00 0.00 176.35 174.99 1u1i n SER 122 N -0.63 0.08 0.06 2.29 3.41 -1.26 -4.92 113.62 112.65 1u1i n SER 122 Ca 0.07 -1.23 -0.08 0.00 -0.26 0.00 0.00 58.87 57.37 1u1i n SER 122 Cb 0.54 -0.43 -0.12 0.00 -0.26 0.00 0.00 64.21 63.93 1u1i n SER 122 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1u1i h LEU 123 N 0.00 0.03 0.62 1.04 3.38 -1.92 -2.80 115.31 115.66 1u1i h LEU 123 Ca -0.19 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 1u1i h LEU 123 Cb 0.52 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.26 1u1i h LEU 123 CO 0.13 1.03 -0.30 0.00 0.09 0.00 0.00 178.44 179.40 1u1i h ALA 124 N 0.97 -1.05 0.00 1.53 0.00 -1.95 0.24 119.26 119.00 1u1i h ALA 124 Ca -0.04 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1u1i h ALA 124 Cb 1.80 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.91 1u1i h ALA 124 CO 0.13 -0.99 -0.02 0.93 0.00 0.00 0.00 179.25 179.31 1u1i h GLU 125 N -0.96 0.00 0.06 0.00 5.08 -1.95 -2.38 114.58 114.43 1u1i h GLU 125 Ca -0.09 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1u1i h GLU 125 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1u1i h GLU 125 CO 0.14 0.02 -0.03 0.52 -1.00 0.00 0.00 179.01 178.65 1u1i h MET 126 N 0.00 -0.08 -1.11 2.33 2.86 -1.31 -3.11 114.93 114.51 1u1i h MET 126 Ca -0.00 0.01 0.31 0.00 -2.06 0.00 0.00 59.70 57.95 1u1i h MET 126 Cb 0.16 0.02 -0.09 0.00 0.06 0.00 0.00 31.60 31.75 1u1i h MET 126 CO 0.00 -0.06 0.74 0.28 1.06 0.00 0.00 176.91 178.93 1u1i h VAL 127 N -0.19 0.44 -0.22 -2.22 2.07 -0.40 0.19 116.25 115.92 1u1i h VAL 127 Ca -0.01 -0.09 -0.20 0.00 0.82 0.00 0.00 66.70 67.23 1u1i h VAL 127 Cb 0.07 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 1u1i h VAL 127 CO 0.01 0.05 -0.63 -1.28 0.02 0.00 0.00 177.57 175.74 1u1i h SER 128 N 0.26 0.91 -0.80 0.57 0.87 -1.57 -3.06 113.55 110.73 1u1i h SER 128 Ca 0.62 -0.53 -0.02 0.00 -1.23 0.00 0.00 61.79 60.63 1u1i h SER 128 Cb 1.83 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 63.49 1u1i h SER 128 CO -0.24 1.32 0.40 -0.09 -0.53 0.00 0.00 176.83 177.69 1u1i h ARG 129 N 0.59 1.13 0.00 2.24 2.43 -0.56 -0.49 114.38 119.72 1u1i h ARG 129 Ca -0.01 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 1u1i h ARG 129 Cb 1.24 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 1u1i h ARG 129 CO 0.13 0.86 0.00 0.82 -1.51 0.00 0.00 179.97 180.28 1u1i h ILE 130 N 1.12 0.00 -0.02 1.20 2.04 -1.44 -1.59 117.51 118.82 1u1i h ILE 130 Ca 0.28 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.88 1u1i h ILE 130 Cb 0.09 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1u1i h ILE 130 CO -0.04 0.00 -0.20 1.21 0.00 0.00 0.00 178.15 179.12 1u1i n GLU 131 N -2.62 1.59 0.00 2.37 2.13 -0.28 -3.92 120.64 119.91 1u1i n GLU 131 Ca 0.00 -1.21 0.08 0.00 0.66 0.00 0.00 57.16 56.70 1u1i n GLU 131 Cb 0.20 -1.47 -0.02 0.00 0.27 0.00 0.00 31.44 30.42 1u1i n GLU 131 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1u1i n GLU 132 N 0.35 1.57 -0.08 5.31 2.13 -0.60 -2.11 120.64 127.21 1u1i n GLU 132 Ca 0.13 -0.68 -0.09 0.00 0.66 0.00 0.00 57.16 57.18 1u1i n GLU 132 Cb 0.47 -1.31 -0.11 0.00 0.27 0.00 0.00 31.44 30.76 1u1i n GLU 132 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1u1i n ASP 133 N -0.36 1.65 0.11 4.31 8.00 -1.21 -3.77 116.55 125.28 1u1i n ASP 133 Ca 0.06 -0.03 0.12 0.00 0.71 0.00 0.00 54.79 55.66 1u1i n ASP 133 Cb 0.35 0.54 0.17 0.00 -0.02 0.00 0.00 41.12 42.16 1u1i n ASP 133 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1u1i h ILE 134 N 0.00 0.00 0.16 0.53 2.10 -1.74 -1.61 117.51 116.94 1u1i h ILE 134 Ca -0.41 -0.70 -0.01 0.00 1.08 0.00 0.00 64.86 64.82 1u1i h ILE 134 Cb 1.85 1.42 0.00 0.00 -1.09 0.00 0.00 36.82 39.00 1u1i h ILE 134 CO -0.00 0.00 -0.08 0.50 -1.08 0.00 0.00 178.15 177.49 1u1i h LYS 135 N 0.00 -0.20 0.03 2.19 3.64 -1.61 -2.90 116.57 117.72 1u1i h LYS 135 Ca 0.00 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1u1i h LYS 135 Cb 0.85 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1u1i h LYS 135 CO 0.00 0.23 -0.01 0.66 -2.27 0.00 0.00 179.45 178.05 1u1i h SER 136 N -0.77 -0.03 0.56 4.20 4.64 -1.66 -3.30 113.55 117.19 1u1i h SER 136 Ca -0.02 -0.31 -0.02 0.00 -0.47 0.00 0.00 61.79 60.97 1u1i h SER 136 Cb 0.53 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 1u1i h SER 136 CO 0.04 0.29 -0.50 0.15 -0.87 0.00 0.00 176.83 175.94 1u1i h PHE 137 N -0.36 -1.37 -4.00 4.77 3.57 -1.46 -3.46 116.94 114.63 1u1i h PHE 137 Ca -0.00 0.01 -0.50 0.00 3.53 0.00 0.00 57.97 61.00 1u1i h PHE 137 Cb 0.34 0.52 0.06 0.00 2.79 0.00 0.00 35.95 39.66 1u1i h PHE 137 CO 0.04 -0.68 0.47 0.00 -2.23 0.00 0.00 178.31 175.91 1u1i s ALA 138 N -5.89 2.97 0.00 2.41 0.00 -1.09 -5.07 121.76 115.08 1u1i s ALA 138 Ca -0.18 0.90 0.00 0.00 0.00 0.00 0.00 51.96 52.68 1u1i s ALA 138 Cb 0.04 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.79 1u1i s ALA 138 CO 0.61 -0.62 0.00 -0.40 0.00 0.00 0.00 175.76 175.35 1u1i n ASP 139 N -0.51 0.00 0.02 0.00 3.85 -1.26 -4.88 116.55 113.77 1u1i n ASP 139 Ca 0.07 0.00 -0.05 0.00 -0.71 0.00 0.00 54.79 54.11 1u1i n ASP 139 Cb 0.48 0.00 -0.10 0.00 -1.35 0.00 0.00 41.12 40.15 1u1i n ASP 139 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 1u1i h ASP 140 N 0.00 0.00 -0.52 -1.12 5.19 -2.01 -3.36 116.42 114.61 1u1i h ASP 140 Ca 0.00 0.00 -0.27 0.00 -0.62 0.00 0.00 57.03 56.14 1u1i h ASP 140 Cb 0.00 0.00 -0.16 0.00 0.18 0.00 0.00 39.33 39.35 1u1i h ASP 140 CO 0.00 0.82 0.09 -0.62 -3.12 0.00 0.00 179.24 176.41 1u1i n GLU 141 N -3.06 1.96 -2.36 3.56 1.02 -1.26 -5.00 120.64 115.50 1u1i n GLU 141 Ca -0.10 -3.18 -0.24 0.00 -0.02 0.00 0.00 57.16 53.62 1u1i n GLU 141 Cb 0.94 -1.92 0.06 0.00 -0.02 0.00 0.00 31.44 30.50 1u1i n GLU 141 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1u1i s THR 142 N -3.32 2.40 -0.17 2.62 2.01 -1.26 -3.08 115.64 114.84 1u1i s THR 142 Ca 0.48 -0.41 -0.26 0.00 0.31 0.00 0.00 61.69 61.80 1u1i s THR 142 Cb 0.43 -2.99 0.07 0.00 0.01 0.00 0.00 72.50 70.02 1u1i s THR 142 CO 0.02 0.00 0.68 0.68 -0.69 0.00 0.00 174.62 175.31 1u1i s VAL 143 N -3.08 0.00 -0.13 3.82 -7.23 -1.04 -4.42 120.40 108.32 1u1i s VAL 143 Ca 0.59 -0.01 -0.04 0.00 -1.81 0.00 0.00 61.98 60.71 1u1i s VAL 143 Cb -0.10 -0.96 -0.04 0.00 0.56 0.00 0.00 36.38 35.84 1u1i s VAL 143 CO 0.43 -0.01 0.03 -0.69 -0.31 0.00 0.00 175.10 174.55 1u1i s VAL 144 N -0.28 4.51 0.01 1.32 1.01 0.46 -1.48 120.40 125.95 1u1i s VAL 144 Ca -0.05 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.79 1u1i s VAL 144 Cb -0.03 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.38 1u1i s VAL 144 CO 0.04 0.55 -0.04 -0.63 0.00 0.00 0.00 175.10 175.03 1u1i s ILE 145 N -0.36 0.28 -0.29 2.22 1.01 -0.19 -1.38 121.20 122.50 1u1i s ILE 145 Ca 0.08 -0.40 -0.07 0.00 0.00 0.00 0.00 60.65 60.26 1u1i s ILE 145 Cb -0.12 -0.29 0.00 0.00 0.01 0.00 0.00 42.46 42.06 1u1i s ILE 145 CO 0.02 -0.08 0.08 0.21 0.00 0.00 0.00 174.94 175.16 1u1i s ASN 146 N -0.52 5.10 -0.16 3.58 2.47 -0.70 -0.91 114.94 123.80 1u1i s ASN 146 Ca -0.03 -0.62 0.22 0.00 0.42 0.00 0.00 52.86 52.85 1u1i s ASN 146 Cb -0.04 -1.88 0.47 0.00 -1.45 0.00 0.00 41.25 38.35 1u1i s ASN 146 CO -0.00 -0.16 1.14 1.33 -3.72 0.00 0.00 177.10 175.69 1u1i n VAL 147 N 4.88 0.97 -2.13 -5.21 0.24 -1.24 -0.06 118.33 115.77 1u1i n VAL 147 Ca -0.15 -2.35 -0.28 0.00 -2.04 0.00 0.00 64.34 59.52 1u1i n VAL 147 Cb 0.49 0.91 0.19 0.00 -1.47 0.00 0.00 33.84 33.95 1u1i n VAL 147 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1u1i n ALA 148 N -0.24 -1.07 -1.76 2.33 0.00 -1.25 -4.80 120.51 113.71 1u1i n ALA 148 Ca 0.10 -1.84 -0.40 0.00 0.00 0.00 0.00 53.44 51.31 1u1i n ALA 148 Cb 0.93 0.03 -0.04 0.00 0.00 0.00 0.00 19.45 20.38 1u1i n ALA 148 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1u1i s SER 149 N -5.75 7.08 0.46 0.00 1.04 -1.26 -4.82 113.70 110.46 1u1i s SER 149 Ca 0.74 2.28 -0.24 0.00 0.48 0.00 0.00 55.95 59.21 1u1i s SER 149 Cb -0.03 -2.62 -0.08 0.00 0.10 0.00 0.00 66.02 63.39 1u1i s SER 149 CO 0.51 -0.28 1.24 0.41 0.98 0.00 0.00 173.24 176.10 1u1i n THR 150 N 0.86 2.88 -5.07 2.02 -1.04 -1.26 -5.00 114.28 107.67 1u1i n THR 150 Ca 0.00 -0.50 -0.32 0.00 -2.04 0.00 0.00 64.05 61.19 1u1i n THR 150 Cb 0.45 -1.52 -0.15 0.00 -1.82 0.00 0.00 70.33 67.30 1u1i n THR 150 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1u1i s GLU 151 N -2.37 2.53 1.03 -2.82 2.12 -1.26 -4.80 118.70 113.12 1u1i s GLU 151 Ca 0.64 -0.80 -0.11 0.00 0.36 0.00 0.00 54.97 55.06 1u1i s GLU 151 Cb -0.48 -2.27 0.21 0.00 0.26 0.00 0.00 34.13 31.84 1u1i s GLU 151 CO 0.55 0.50 1.09 -0.35 -0.54 0.00 0.00 175.26 176.51 1u1i n PRO 152 N 2.64 -1.31 -1.62 4.30 -0.04 -1.26 -4.58 135.00 133.13 1u1i n PRO 152 Ca -0.17 -0.33 -0.47 0.00 -0.04 0.00 0.00 63.50 62.49 1u1i n PRO 152 Cb 0.52 -2.29 -0.05 0.00 -0.04 0.00 0.00 33.50 31.65 1u1i n PRO 152 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1u1i n LEU 153 N -4.54 3.28 -4.64 1.53 4.77 -1.24 -4.89 117.00 111.27 1u1i n LEU 153 Ca 0.08 0.69 -0.43 0.00 -0.03 0.00 0.00 56.01 56.32 1u1i n LEU 153 Cb 0.53 -1.41 -0.02 0.00 -2.33 0.00 0.00 43.42 40.18 1u1i n LEU 153 CO 0.52 -0.28 1.05 -2.16 -1.33 0.00 0.00 177.39 175.20 1u1i s PRO 154 N 5.03 4.07 -0.36 3.23 0.04 -1.26 -4.95 135.00 140.79 1u1i s PRO 154 Ca 0.97 1.31 -0.27 0.00 0.04 0.00 0.00 61.00 63.05 1u1i s PRO 154 Cb -0.61 -3.79 -0.05 0.00 0.04 0.00 0.00 34.50 30.10 1u1i s PRO 154 CO 0.46 -0.91 2.18 -0.80 0.04 0.00 0.00 177.00 177.97 1u1i s ASN 155 N 2.13 5.16 -0.05 6.66 0.02 -1.26 -4.89 114.94 122.72 1u1i s ASN 155 Ca 0.52 1.38 -0.30 0.00 -1.02 0.00 0.00 52.86 53.44 1u1i s ASN 155 Cb -0.16 -2.51 -0.05 0.00 0.02 0.00 0.00 41.25 38.54 1u1i s ASN 155 CO 0.17 -2.27 1.55 -0.47 0.02 0.00 0.00 177.10 176.10 1u1i s TYR 156 N 9.47 2.30 -0.25 2.20 6.14 -1.26 -4.93 117.35 131.03 1u1i s TYR 156 Ca 0.93 0.43 -0.00 0.00 0.64 0.00 0.00 57.07 59.08 1u1i s TYR 156 Cb -0.24 -3.82 0.04 0.00 0.42 0.00 0.00 41.96 38.36 1u1i s TYR 156 CO 0.30 -3.29 -0.09 0.45 0.64 0.00 0.00 175.55 173.57 1u1i s SER 157 N 2.79 4.22 0.51 4.32 0.15 -1.26 -5.02 113.70 119.42 1u1i s SER 157 Ca 0.69 -1.02 0.30 0.00 0.70 0.00 0.00 55.95 56.62 1u1i s SER 157 Cb -0.32 -1.61 1.17 0.00 -1.71 0.00 0.00 66.02 63.56 1u1i s SER 157 CO 0.27 -0.14 1.92 -0.08 1.20 0.00 0.00 173.24 176.41 1u1i h GLU 158 N 7.94 0.00 0.15 5.44 4.57 -1.95 -1.30 114.58 129.42 1u1i h GLU 158 Ca -0.30 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.87 1u1i h GLU 158 Cb 1.09 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 1u1i h GLU 158 CO 0.55 0.07 -0.07 0.93 -1.18 0.00 0.00 179.01 179.31 1u1i h GLU 159 N 0.00 -0.19 -0.01 1.92 5.08 -1.96 -1.43 114.58 118.00 1u1i h GLU 159 Ca -0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1u1i h GLU 159 Cb 0.61 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1u1i h GLU 159 CO 0.01 0.23 -0.31 0.66 -1.00 0.00 0.00 179.01 178.60 1u1i n TYR 160 N -4.96 0.00 0.00 4.33 0.53 -1.19 -3.91 117.16 111.96 1u1i n TYR 160 Ca -0.09 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.79 1u1i n TYR 160 Cb 0.26 -0.09 0.00 0.00 -1.03 0.00 0.00 39.34 38.48 1u1i n TYR 160 CO 0.00 0.00 0.00 0.72 -1.02 0.00 0.00 176.86 176.56 1u1i n HIS 161 N -0.46 0.00 1.13 -0.72 8.25 -0.50 -2.91 115.22 120.01 1u1i n HIS 161 Ca 0.12 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.70 1u1i n HIS 161 Cb 0.38 0.00 0.25 0.00 1.12 0.00 0.00 29.99 31.74 1u1i n HIS 161 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u1i n GLY 162 N 1.58 -0.71 2.98 -1.41 0.00 -0.54 -1.86 105.19 105.24 1u1i n GLY 162 Ca 0.00 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 1u1i n GLY 162 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1u1i s SER 163 N -2.66 0.16 0.11 1.61 1.04 -1.25 -4.58 113.70 108.13 1u1i s SER 163 Ca 0.19 -0.36 -0.13 0.00 0.48 0.00 0.00 55.95 56.13 1u1i s SER 163 Cb 0.18 0.11 -0.09 0.00 0.10 0.00 0.00 66.02 66.31 1u1i s SER 163 CO 0.60 -0.26 1.40 0.25 0.98 0.00 0.00 173.24 176.21 1u1i h LEU 164 N 4.87 0.89 -2.04 2.42 5.85 -1.89 -2.73 115.31 122.68 1u1i h LEU 164 Ca -0.30 -0.52 -0.00 0.00 0.84 0.00 0.00 57.88 57.89 1u1i h LEU 164 Cb 1.21 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.98 1u1i h LEU 164 CO 0.42 1.24 -0.01 1.05 -0.34 0.00 0.00 178.44 180.81 1u1i h GLU 165 N 0.57 0.00 0.02 1.25 4.11 -1.94 -2.65 114.58 115.93 1u1i h GLU 165 Ca 0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.45 1u1i h GLU 165 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1u1i h GLU 165 CO 0.11 0.01 -0.01 0.78 0.07 0.00 0.00 179.01 179.96 1u1i h GLY 166 N 1.26 -0.03 1.34 1.06 0.00 -1.71 -2.67 103.07 102.32 1u1i h GLY 166 Ca -0.00 0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.36 1u1i h GLY 166 CO 0.00 -0.01 0.40 -2.75 0.00 0.00 0.00 176.54 174.18 1u1i h PHE 167 N -0.53 0.72 0.67 5.60 3.04 -1.34 0.24 116.94 125.35 1u1i h PHE 167 Ca -0.00 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.93 1u1i h PHE 167 Cb 0.50 -0.24 0.00 0.00 2.56 0.00 0.00 35.95 38.77 1u1i h PHE 167 CO 0.10 0.44 -0.36 0.93 -2.02 0.00 0.00 178.31 177.39 1u1i h GLU 168 N 0.76 -0.92 -0.86 1.11 4.39 -1.50 -2.52 114.58 115.04 1u1i h GLU 168 Ca 0.23 0.06 0.21 0.00 0.34 0.00 0.00 59.36 60.21 1u1i h GLU 168 Cb 0.01 0.21 -0.12 0.00 -0.10 0.00 0.00 28.75 28.74 1u1i h GLU 168 CO -0.06 -0.61 0.32 -0.09 -1.16 0.00 0.00 179.01 177.41 1u1i h ARG 169 N -0.95 0.34 -1.02 2.33 2.43 -1.01 0.12 114.38 116.62 1u1i h ARG 169 Ca -0.09 -0.02 0.25 0.00 -0.81 0.00 0.00 59.98 59.31 1u1i h ARG 169 Cb 0.75 -0.08 -0.11 0.00 -0.42 0.00 0.00 29.97 30.11 1u1i h ARG 169 CO 0.12 0.22 0.62 1.98 -1.51 0.00 0.00 179.97 181.41 1u1i h MET 170 N 0.35 0.52 0.49 0.20 4.05 -0.13 -1.94 114.93 118.47 1u1i h MET 170 Ca 0.53 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.89 1u1i h MET 170 Cb 0.99 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.67 1u1i h MET 170 CO -0.54 0.35 -0.23 0.82 0.23 0.00 0.00 176.91 177.53 1u1i h ILE 171 N 0.54 0.32 0.00 1.77 1.08 -0.45 0.15 117.51 120.92 1u1i h ILE 171 Ca 0.63 -0.49 0.00 0.00 -0.39 0.00 0.00 64.86 64.61 1u1i h ILE 171 Cb 1.29 0.46 0.00 0.00 -3.07 0.00 0.00 36.82 35.50 1u1i h ILE 171 CO -0.42 0.06 0.00 0.47 -0.69 0.00 0.00 178.15 177.57 1u1i n ASP 172 N -5.24 0.00 -1.12 1.72 10.43 -1.17 -2.20 116.55 118.97 1u1i n ASP 172 Ca -0.10 -0.88 0.12 0.00 2.57 0.00 0.00 54.79 56.50 1u1i n ASP 172 Cb 0.31 -0.02 0.19 0.00 1.84 0.00 0.00 41.12 43.44 1u1i n ASP 172 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1u1i n GLU 173 N -1.02 2.48 -3.75 -1.24 -0.58 -0.74 -4.94 120.64 110.85 1u1i n GLU 173 Ca 0.22 -2.22 -0.29 0.00 -0.42 0.00 0.00 57.16 54.45 1u1i n GLU 173 Cb 0.11 -1.51 -0.01 0.00 -0.57 0.00 0.00 31.44 29.47 1u1i n GLU 173 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1u1i n ASP 174 N 1.47 -3.81 -4.04 1.62 4.64 -0.93 -4.81 116.55 110.69 1u1i n ASP 174 Ca 0.18 -0.66 -0.40 0.00 -1.38 0.00 0.00 54.79 52.53 1u1i n ASP 174 Cb 0.61 -3.11 -0.03 0.00 -1.04 0.00 0.00 41.12 37.54 1u1i n ASP 174 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 1u1i n ARG 175 N -4.12 2.27 0.06 -0.67 5.12 0.49 -4.60 116.66 115.21 1u1i n ARG 175 Ca 0.03 -2.49 0.13 0.00 -1.93 0.00 0.00 57.85 53.59 1u1i n ARG 175 Cb 0.52 -3.31 0.44 0.00 -1.16 0.00 0.00 32.46 28.95 1u1i n ARG 175 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1u1i n LYS 176 N 7.29 0.17 0.24 5.56 5.02 -1.26 -2.86 118.16 132.31 1u1i n LYS 176 Ca 0.49 0.12 0.12 0.00 -2.02 0.00 0.00 58.31 57.03 1u1i n LYS 176 Cb 0.42 -1.68 0.49 0.00 -0.02 0.00 0.00 35.03 34.24 1u1i n LYS 176 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1u1i h GLU 177 N 0.00 0.00 -0.01 1.97 4.57 -1.99 -2.81 114.58 116.31 1u1i h GLU 177 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1u1i h GLU 177 Cb 0.65 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 1u1i h GLU 177 CO 0.00 0.15 -0.01 0.66 -1.18 0.00 0.00 179.01 178.64 1u1i n TYR 178 N -3.28 0.00 -3.76 0.92 4.02 -1.23 -4.96 117.16 108.87 1u1i n TYR 178 Ca 0.01 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.53 1u1i n TYR 178 Cb 0.41 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.67 1u1i n TYR 178 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1u1i s ALA 179 N -0.48 3.79 0.22 -0.72 0.00 -1.06 -5.01 121.76 118.49 1u1i s ALA 179 Ca 0.06 -0.56 0.06 0.00 0.00 0.00 0.00 51.96 51.52 1u1i s ALA 179 Cb 0.05 -2.11 -0.05 0.00 0.00 0.00 0.00 23.12 21.00 1u1i s ALA 179 CO 0.07 0.47 -0.09 -1.54 0.00 0.00 0.00 175.76 174.67 1u1i s SER 180 N -0.65 2.34 0.09 0.00 1.04 -1.26 -4.36 113.70 110.90 1u1i s SER 180 Ca 0.15 -1.09 -0.25 0.00 0.48 0.00 0.00 55.95 55.24 1u1i s SER 180 Cb -0.13 -0.10 -0.09 0.00 0.10 0.00 0.00 66.02 65.81 1u1i s SER 180 CO 0.04 -0.30 1.41 0.00 0.98 0.00 0.00 173.24 175.37 1u1i h ALA 181 N 2.52 -0.70 -0.58 5.32 0.00 -1.14 -2.85 119.26 121.82 1u1i h ALA 181 Ca -0.38 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.61 1u1i h ALA 181 Cb 1.22 0.98 -0.07 0.00 0.00 0.00 0.00 17.79 19.91 1u1i h ALA 181 CO 0.64 -0.88 0.17 0.66 0.00 0.00 0.00 179.25 179.84 1u1i h SER 182 N -0.34 0.12 -0.79 0.00 4.64 -1.95 -2.19 113.55 113.04 1u1i h SER 182 Ca 0.04 0.09 0.18 0.00 -0.47 0.00 0.00 61.79 61.63 1u1i h SER 182 Cb 0.46 0.09 -0.11 0.00 -0.31 0.00 0.00 62.40 62.53 1u1i h SER 182 CO -0.40 0.08 0.25 0.24 -0.87 0.00 0.00 176.83 176.13 1u1i h MET 183 N 0.33 0.31 -0.01 4.77 2.07 -1.70 1.53 114.93 122.23 1u1i h MET 183 Ca 0.29 -0.02 -0.17 0.00 -2.07 0.00 0.00 59.70 57.74 1u1i h MET 183 Cb 0.39 -0.07 -0.02 0.00 -1.87 0.00 0.00 31.60 30.03 1u1i h MET 183 CO -0.33 0.20 -0.78 -0.07 1.07 0.00 0.00 176.91 177.01 1u1i h LEU 184 N 0.32 0.11 0.32 1.22 3.38 -1.35 0.38 115.31 119.69 1u1i h LEU 184 Ca 0.46 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.34 1u1i h LEU 184 Cb 0.81 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1u1i h LEU 184 CO -0.52 0.84 -0.16 1.88 0.09 0.00 0.00 178.44 180.58 1u1i h TYR 185 N 0.05 -0.40 -0.00 1.13 0.05 -0.42 -1.59 116.97 115.79 1u1i h TYR 185 Ca -0.02 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.75 1u1i h TYR 185 Cb 1.36 0.13 -0.00 0.00 1.01 0.00 0.00 36.73 39.24 1u1i h TYR 185 CO 0.01 -0.06 0.06 0.00 -1.05 0.00 0.00 178.16 177.12 1u1i h ALA 186 N -0.38 1.10 0.22 3.88 0.00 0.20 -2.32 119.26 121.94 1u1i h ALA 186 Ca -0.04 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.52 1u1i h ALA 186 Cb 0.52 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.33 1u1i h ALA 186 CO 0.07 -0.07 -1.65 -0.92 0.00 0.00 0.00 179.25 176.69 1u1i h TYR 187 N 0.00 0.83 0.82 0.00 5.03 -0.03 -3.27 116.97 120.36 1u1i h TYR 187 Ca 0.00 -0.61 -0.04 0.00 2.58 0.00 0.00 58.73 60.66 1u1i h TYR 187 Cb 0.13 -0.03 0.01 0.00 1.55 0.00 0.00 36.73 38.38 1u1i h TYR 187 CO 0.00 1.64 -0.39 0.00 -1.32 0.00 0.00 178.16 178.09 1u1i h ALA 188 N 0.12 -1.10 -0.74 1.82 0.00 -0.88 -0.69 119.26 117.79 1u1i h ALA 188 Ca -0.31 -0.24 0.17 0.00 0.00 0.00 0.00 54.91 54.52 1u1i h ALA 188 Cb 2.13 0.43 -0.12 0.00 0.00 0.00 0.00 17.79 20.23 1u1i h ALA 188 CO 0.22 -1.03 0.08 0.00 0.00 0.00 0.00 179.25 178.51 1u1i h ALA 189 N -1.26 0.85 -0.33 0.00 0.00 -1.62 0.66 119.26 117.56 1u1i h ALA 189 Ca -0.11 0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1u1i h ALA 189 Cb 0.85 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1u1i h ALA 189 CO 0.19 -0.40 -0.34 -0.07 0.00 0.00 0.00 179.25 178.63 1u1i h LEU 190 N 0.16 0.78 -0.61 0.00 3.38 -1.61 0.13 115.31 117.54 1u1i h LEU 190 Ca 0.41 -0.33 0.12 0.00 0.09 0.00 0.00 57.88 58.18 1u1i h LEU 190 Cb 0.73 -0.22 -0.10 0.00 0.09 0.00 0.00 40.66 41.17 1u1i h LEU 190 CO -0.60 1.04 0.07 0.11 0.09 0.00 0.00 178.44 179.15 1u1i h LYS 191 N 0.62 0.18 0.00 1.13 1.79 0.67 -1.14 116.57 119.82 1u1i h LYS 191 Ca 0.06 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1u1i h LYS 191 Cb 0.87 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.48 1u1i h LYS 191 CO 0.08 0.12 0.00 1.28 -1.08 0.00 0.00 179.45 179.85 1u1i n LEU 192 N -5.20 0.00 -3.79 2.94 4.77 -0.32 -4.88 117.00 110.51 1u1i n LEU 192 Ca 0.09 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.79 1u1i n LEU 192 Cb 0.35 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.48 1u1i n LEU 192 CO 0.14 0.00 0.16 0.61 -1.33 0.00 0.00 177.39 176.97 1u1i n GLY 193 N 0.57 -0.51 3.46 -0.72 0.00 -0.43 -4.97 105.19 102.58 1u1i n GLY 193 Ca 0.07 0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.97 1u1i n GLY 193 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1i s LEU 194 N -7.29 3.14 0.47 0.99 1.43 0.40 -4.94 118.68 112.88 1u1i s LEU 194 Ca 0.63 -0.18 -0.24 0.00 -1.03 0.00 0.00 54.13 53.31 1u1i s LEU 194 Cb -0.30 -1.75 -0.07 0.00 0.03 0.00 0.00 46.19 44.10 1u1i s LEU 194 CO 0.79 0.15 1.33 -2.84 0.23 0.00 0.00 176.35 176.01 1u1i s PRO 195 N 0.47 3.58 0.02 1.29 0.02 -1.26 -4.24 135.00 134.88 1u1i s PRO 195 Ca -0.04 2.17 0.01 0.00 0.02 0.00 0.00 61.00 63.17 1u1i s PRO 195 Cb -0.15 -2.50 -0.02 0.00 0.02 0.00 0.00 34.50 31.86 1u1i s PRO 195 CO 0.03 -0.82 -0.05 -0.47 -0.33 0.00 0.00 177.00 175.36 1u1i s TYR 196 N -1.31 0.47 0.05 6.54 6.14 -1.24 -0.41 117.35 127.60 1u1i s TYR 196 Ca 0.64 -0.35 -0.05 0.00 0.64 0.00 0.00 57.07 57.96 1u1i s TYR 196 Cb -0.38 -0.30 -0.02 0.00 0.42 0.00 0.00 41.96 41.68 1u1i s TYR 196 CO 0.48 -0.08 0.07 0.00 0.64 0.00 0.00 175.55 176.67 1u1i s ALA 197 N -0.93 0.08 -0.19 3.97 0.00 -0.48 -0.55 121.76 123.67 1u1i s ALA 197 Ca -0.07 -0.76 -0.01 0.00 0.00 0.00 0.00 51.96 51.11 1u1i s ALA 197 Cb -0.07 0.30 0.05 0.00 0.00 0.00 0.00 23.12 23.41 1u1i s ALA 197 CO -0.00 -0.37 -0.01 1.21 0.00 0.00 0.00 175.76 176.59 1u1i s ASN 198 N -2.50 2.98 0.17 0.00 2.47 -1.11 -1.71 114.94 115.24 1u1i s ASN 198 Ca 0.00 -0.80 0.20 0.00 0.42 0.00 0.00 52.86 52.68 1u1i s ASN 198 Cb 0.03 -0.78 -0.02 0.00 -1.45 0.00 0.00 41.25 39.03 1u1i s ASN 198 CO -0.07 -0.26 1.03 0.15 -3.72 0.00 0.00 177.10 174.23 1u1i h PHE 199 N 8.16 0.00 -3.37 0.43 3.57 -0.82 -1.75 116.94 123.17 1u1i h PHE 199 Ca -0.19 0.00 -0.48 0.00 3.53 0.00 0.00 57.97 60.83 1u1i h PHE 199 Cb 1.11 0.00 0.03 0.00 2.79 0.00 0.00 35.95 39.88 1u1i h PHE 199 CO 0.38 0.27 0.05 0.95 -2.23 0.00 0.00 178.31 177.73 1u1i s THR 200 N -3.14 4.64 -1.37 4.41 -4.23 -1.22 0.20 115.64 114.94 1u1i s THR 200 Ca -0.01 -0.02 0.17 0.00 -1.18 0.00 0.00 61.69 60.66 1u1i s THR 200 Cb 0.09 -3.76 0.28 0.00 1.34 0.00 0.00 72.50 70.45 1u1i s THR 200 CO 0.79 -0.69 1.51 -0.81 -0.54 0.00 0.00 174.62 174.88 1u1i n PRO 201 N -2.22 0.21 -1.39 3.99 -0.04 -1.26 -1.68 135.00 132.61 1u1i n PRO 201 Ca 0.00 0.14 -0.36 0.00 -0.04 0.00 0.00 63.50 63.24 1u1i n PRO 201 Cb 0.56 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.59 1u1i n PRO 201 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1u1i n SER 202 N -1.32 0.12 -0.25 3.54 2.88 -1.26 -4.86 113.62 112.47 1u1i n SER 202 Ca 0.08 0.68 0.01 0.00 -1.33 0.00 0.00 58.87 58.31 1u1i n SER 202 Cb 0.15 -1.35 0.14 0.00 -0.75 0.00 0.00 64.21 62.39 1u1i n SER 202 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1u1i h PRO 203 N -0.12 0.63 0.00 -1.46 0.11 -1.90 -3.45 132.00 125.81 1u1i h PRO 203 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1u1i h PRO 203 Cb 1.35 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1u1i h PRO 203 CO 0.47 0.42 0.00 0.41 -0.21 0.00 0.00 178.00 179.08 1u1i n GLY 204 N -1.30 1.39 1.05 -0.55 0.00 -1.26 0.18 105.19 104.70 1u1i n GLY 204 Ca 0.11 0.56 0.09 0.00 0.00 0.00 0.00 46.02 46.79 1u1i n GLY 204 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1u1i n SER 205 N 7.24 3.06 -2.23 1.61 3.41 -1.26 -4.35 113.62 121.10 1u1i n SER 205 Ca 0.00 -1.99 -0.21 0.00 -0.26 0.00 0.00 58.87 56.41 1u1i n SER 205 Cb 0.00 -0.37 -0.05 0.00 -0.26 0.00 0.00 64.21 63.54 1u1i n SER 205 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u1i n ALA 206 N 1.18 6.00 -2.42 7.33 0.00 0.49 -4.28 120.51 128.81 1u1i n ALA 206 Ca 0.19 -2.40 -0.20 0.00 0.00 0.00 0.00 53.44 51.03 1u1i n ALA 206 Cb 0.49 -1.92 -0.11 0.00 0.00 0.00 0.00 19.45 17.91 1u1i n ALA 206 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1u1i s ILE 207 N -1.72 1.72 0.20 0.00 -4.36 -1.26 -4.94 121.20 110.83 1u1i s ILE 207 Ca 0.51 -1.99 -0.11 0.00 -0.26 0.00 0.00 60.65 58.79 1u1i s ILE 207 Cb 0.32 -1.87 0.12 0.00 1.25 0.00 0.00 42.46 42.29 1u1i s ILE 207 CO -0.13 -0.43 1.85 -0.65 0.24 0.00 0.00 174.94 175.82 1u1i h PRO 208 N 3.04 0.80 0.00 0.37 0.11 -1.86 -2.59 132.00 131.86 1u1i h PRO 208 Ca -0.40 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1u1i h PRO 208 Cb 1.21 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1u1i h PRO 208 CO 0.55 0.53 0.00 0.00 -0.21 0.00 0.00 178.00 178.87 1u1i h ALA 209 N 1.27 1.00 0.00 -0.75 0.00 -1.62 -2.47 119.26 116.70 1u1i h ALA 209 Ca 0.26 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.84 1u1i h ALA 209 Cb -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 1u1i h ALA 209 CO -0.09 0.00 -2.22 1.28 0.00 0.00 0.00 179.25 178.22 1u1i n LEU 210 N -2.81 0.85 0.04 0.00 4.77 -1.00 -3.62 117.00 115.23 1u1i n LEU 210 Ca -0.02 -0.03 0.08 0.00 -0.03 0.00 0.00 56.01 56.00 1u1i n LEU 210 Cb 0.06 0.08 0.51 0.00 -2.33 0.00 0.00 43.42 41.74 1u1i n LEU 210 CO 0.17 0.56 1.15 0.11 -1.33 0.00 0.00 177.39 178.04 1u1i h LYS 211 N 0.00 0.35 0.32 3.23 1.57 -1.16 -1.67 116.57 119.21 1u1i h LYS 211 Ca -0.48 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.26 1u1i h LYS 211 Cb 1.99 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 34.22 1u1i h LYS 211 CO -0.00 0.23 -0.15 1.49 -0.57 0.00 0.00 179.45 180.45 1u1i h GLU 212 N 0.36 -0.41 0.00 3.15 4.81 -1.68 -2.71 114.58 118.10 1u1i h GLU 212 Ca 0.15 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1u1i h GLU 212 Cb 0.15 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1u1i h GLU 212 CO -0.03 -0.09 0.00 1.25 -0.73 0.00 0.00 179.01 179.40 1u1i h LEU 213 N -0.95 0.00 0.02 1.64 6.46 -1.55 0.77 115.31 121.71 1u1i h LEU 213 Ca -0.04 0.00 -0.23 0.00 -0.12 0.00 0.00 57.88 57.49 1u1i h LEU 213 Cb 0.51 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.41 1u1i h LEU 213 CO 0.07 0.00 -1.22 0.00 -0.62 0.00 0.00 178.44 176.67 1u1i h ALA 214 N 2.04 0.25 -0.31 1.25 0.00 -1.37 -3.07 119.26 118.05 1u1i h ALA 214 Ca 0.00 -1.15 -0.10 0.00 0.00 0.00 0.00 54.91 53.67 1u1i h ALA 214 Cb 0.08 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1u1i h ALA 214 CO 0.00 0.71 -0.22 0.93 0.00 0.00 0.00 179.25 180.67 1u1i h GLU 215 N -0.82 0.58 0.00 0.00 3.07 -1.07 1.49 114.58 117.82 1u1i h GLU 215 Ca -0.32 -0.21 0.00 0.00 -0.50 0.00 0.00 59.36 58.33 1u1i h GLU 215 Cb 1.39 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.27 1u1i h GLU 215 CO -0.13 0.76 0.00 -0.22 -1.40 0.00 0.00 179.01 178.02 1u1i h LYS 216 N 0.52 0.00 0.00 2.33 3.64 0.39 -2.81 116.57 120.63 1u1i h LYS 216 Ca 0.08 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1u1i h LYS 216 Cb 0.66 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1u1i h LYS 216 CO 0.05 0.00 -1.68 1.63 -2.27 0.00 0.00 179.45 177.18 1u1i n LYS 217 N -2.55 0.52 -2.15 1.90 4.01 -0.49 -5.03 118.16 114.37 1u1i n LYS 217 Ca 0.02 -0.13 -0.00 0.00 -0.51 0.00 0.00 58.31 57.69 1u1i n LYS 217 Cb 0.26 -1.35 0.00 0.00 -0.51 0.00 0.00 35.03 33.44 1u1i n LYS 217 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1u1i n GLY 218 N 1.71 0.57 3.16 0.72 0.00 0.49 -4.89 105.19 106.95 1u1i n GLY 218 Ca -0.04 -0.53 -0.23 0.00 0.00 0.00 0.00 46.02 45.22 1u1i n GLY 218 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1i s VAL 219 N -3.00 1.29 -0.40 1.61 1.01 -0.19 -4.76 120.40 115.95 1u1i s VAL 219 Ca 0.00 -0.82 -0.16 0.00 0.00 0.00 0.00 61.98 61.01 1u1i s VAL 219 Cb -0.00 -1.10 0.02 0.00 0.00 0.00 0.00 36.38 35.30 1u1i s VAL 219 CO 0.01 0.26 0.35 -2.16 0.00 0.00 0.00 175.10 173.56 1u1i s PRO 220 N -0.64 3.10 0.45 2.72 0.04 -1.25 0.19 135.00 139.61 1u1i s PRO 220 Ca 0.05 -0.85 0.06 0.00 0.04 0.00 0.00 61.00 60.30 1u1i s PRO 220 Cb -0.07 -3.95 0.02 0.00 0.04 0.00 0.00 34.50 30.54 1u1i s PRO 220 CO 0.00 -0.75 0.63 -3.38 0.04 0.00 0.00 177.00 173.54 1u1i s HIS 221 N 1.88 2.85 0.06 0.56 -3.43 0.13 -3.67 115.29 113.67 1u1i s HIS 221 Ca 0.08 -0.26 -0.09 0.00 -0.80 0.00 0.00 55.06 53.99 1u1i s HIS 221 Cb -0.18 -2.46 0.00 0.00 -1.43 0.00 0.00 32.58 28.51 1u1i s HIS 221 CO 0.12 -0.53 0.19 0.00 -2.00 0.00 0.00 174.74 172.52 1u1i s ALA 222 N -2.47 -0.31 0.00 -1.38 0.00 0.29 -1.62 121.76 116.27 1u1i s ALA 222 Ca 0.55 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.11 1u1i s ALA 222 Cb -0.10 0.35 0.00 0.00 0.00 0.00 0.00 23.12 23.37 1u1i s ALA 222 CO 0.35 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 176.10 1u1i n GLY 223 N 0.42 3.27 0.00 0.00 0.00 -1.26 -2.74 105.19 104.89 1u1i n GLY 223 Ca -0.17 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1u1i n GLY 223 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1u1i n ASN 224 N 7.76 0.00 -1.81 1.61 4.13 -1.12 -2.62 115.26 123.21 1u1i n ASN 224 Ca 0.00 0.00 -0.01 0.00 1.68 0.00 0.00 54.58 56.25 1u1i n ASN 224 Cb 0.00 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.23 1u1i n ASN 224 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1u1i n ASP 225 N 0.00 -4.17 -4.77 6.41 -0.08 -0.67 -2.82 116.55 110.45 1u1i n ASP 225 Ca 0.00 0.85 -0.40 0.00 -1.51 0.00 0.00 54.79 53.73 1u1i n ASP 225 Cb 0.00 -3.15 0.00 0.00 2.34 0.00 0.00 41.12 40.32 1u1i n ASP 225 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1u1i s GLY 226 N -0.31 2.93 -0.86 0.27 0.00 0.13 -0.15 107.32 109.32 1u1i s GLY 226 Ca -0.05 1.34 -0.00 0.00 0.00 0.00 0.00 44.72 46.01 1u1i s GLY 226 CO 0.14 1.95 0.78 1.17 0.00 0.00 0.00 173.10 177.15 1u1i n LYS 227 N 0.09 2.63 -0.10 2.90 4.81 0.02 -4.49 118.16 124.02 1u1i n LYS 227 Ca 0.04 -4.51 -0.12 0.00 -0.87 0.00 0.00 58.31 52.85 1u1i n LYS 227 Cb 0.42 -2.39 -0.12 0.00 0.02 0.00 0.00 35.03 32.97 1u1i n LYS 227 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1u1i n THR 228 N 2.05 1.24 0.00 3.15 -2.24 -1.26 -4.56 114.28 112.66 1u1i n THR 228 Ca 0.23 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1u1i n THR 228 Cb 0.37 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 67.64 1u1i n THR 228 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u1i n GLY 229 N 2.21 0.28 0.09 3.38 0.00 -1.26 -4.85 105.19 105.05 1u1i n GLY 229 Ca -0.35 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.63 1u1i n GLY 229 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1u1i h GLU 230 N 0.00 0.00 0.00 1.61 4.81 -1.99 -3.23 114.58 115.78 1u1i h GLU 230 Ca 0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1u1i h GLU 230 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1u1i h GLU 230 CO 0.00 0.50 -0.25 1.15 -0.73 0.00 0.00 179.01 179.67 1u1i h THR 231 N 0.00 0.48 -0.15 0.32 2.02 -1.93 -1.64 112.91 112.01 1u1i h THR 231 Ca -0.17 -1.45 0.05 0.00 0.77 0.00 0.00 66.41 65.61 1u1i h THR 231 Cb 1.75 2.05 -0.05 0.00 -1.74 0.00 0.00 68.15 70.16 1u1i h THR 231 CO 0.07 0.25 -0.17 0.25 0.37 0.00 0.00 175.52 176.29 1u1i h LEU 232 N 0.00 -0.52 -0.47 2.58 6.46 -1.80 0.17 115.31 121.73 1u1i h LEU 232 Ca -0.00 0.10 -0.12 0.00 -0.12 0.00 0.00 57.88 57.73 1u1i h LEU 232 Cb 1.03 0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 41.20 1u1i h LEU 232 CO 0.03 -0.21 -0.18 0.58 -0.62 0.00 0.00 178.44 178.04 1u1i h VAL 233 N -0.20 1.27 0.14 1.05 2.07 -1.56 -2.67 116.25 116.36 1u1i h VAL 233 Ca 0.10 -1.33 0.01 0.00 0.82 0.00 0.00 66.70 66.30 1u1i h VAL 233 Cb 0.35 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1u1i h VAL 233 CO -0.27 0.46 -0.18 0.50 0.02 0.00 0.00 177.57 178.10 1u1i h LYS 234 N 0.80 -0.35 0.00 1.57 3.64 -0.98 0.36 116.57 121.61 1u1i h LYS 234 Ca 0.11 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1u1i h LYS 234 Cb 0.75 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1u1i h LYS 234 CO 0.06 -0.23 0.00 0.25 -2.27 0.00 0.00 179.45 177.26 1u1i n THR 235 N -5.30 0.00 -0.08 1.00 -2.24 0.55 -1.71 114.28 106.51 1u1i n THR 235 Ca -0.07 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.58 1u1i n THR 235 Cb 0.22 -0.44 -0.07 0.00 -2.10 0.00 0.00 70.33 67.94 1u1i n THR 235 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1u1i n THR 236 N -0.78 0.90 0.08 4.28 -1.04 -0.59 -1.59 114.28 115.54 1u1i n THR 236 Ca 0.09 -0.31 -0.23 0.00 -2.04 0.00 0.00 64.05 61.56 1u1i n THR 236 Cb 0.04 -1.24 -0.15 0.00 -1.82 0.00 0.00 70.33 67.17 1u1i n THR 236 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1u1i h LEU 237 N -0.16 0.64 -0.30 -4.42 5.85 -0.25 -3.40 115.31 113.26 1u1i h LEU 237 Ca -0.37 -0.94 0.07 0.00 0.84 0.00 0.00 57.88 57.48 1u1i h LEU 237 Cb 1.49 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 42.25 1u1i h LEU 237 CO -0.11 1.78 -0.15 0.00 -0.34 0.00 0.00 178.44 179.61 1u1i h ALA 238 N 0.11 0.07 -0.20 1.25 0.00 -1.51 -0.17 119.26 118.80 1u1i h ALA 238 Ca -0.33 0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.74 1u1i h ALA 238 Cb 2.09 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 20.24 1u1i h ALA 238 CO 0.18 -0.55 0.38 -1.35 0.00 0.00 0.00 179.25 177.91 1u1i h PRO 239 N -0.12 0.00 -0.62 0.00 0.11 -1.82 -0.15 132.00 129.41 1u1i h PRO 239 Ca 0.15 0.00 0.12 0.00 0.11 0.00 0.00 66.00 66.38 1u1i h PRO 239 Cb 0.35 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.42 1u1i h PRO 239 CO -0.37 0.00 0.42 1.98 -0.21 0.00 0.00 178.00 179.82 1u1i h MET 240 N 0.00 0.34 -0.01 1.05 1.85 -1.25 0.33 114.93 117.25 1u1i h MET 240 Ca 0.10 -0.02 -0.20 0.00 -0.61 0.00 0.00 59.70 58.97 1u1i h MET 240 Cb 0.85 -0.08 0.02 0.00 0.43 0.00 0.00 31.60 32.82 1u1i h MET 240 CO -0.00 0.23 -0.76 0.74 -0.40 0.00 0.00 176.91 176.72 1u1i h PHE 241 N 0.35 0.78 -0.32 1.39 0.04 -1.14 -3.10 116.94 114.95 1u1i h PHE 241 Ca 0.29 -0.42 -0.07 0.00 2.80 0.00 0.00 57.97 60.58 1u1i h PHE 241 Cb 0.67 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.71 1u1i h PHE 241 CO -0.00 1.24 -0.08 0.00 -0.60 0.00 0.00 178.31 178.87 1u1i h ALA 242 N 0.36 1.27 0.00 2.45 0.00 -0.95 -0.69 119.26 121.71 1u1i h ALA 242 Ca -0.09 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1u1i h ALA 242 Cb 1.45 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1u1i h ALA 242 CO 0.15 0.48 0.00 0.66 0.00 0.00 0.00 179.25 180.54 1u1i n TYR 243 N -4.22 0.69 -0.31 0.00 4.01 0.96 -3.06 117.16 115.22 1u1i n TYR 243 Ca 0.01 0.21 0.05 0.00 -0.16 0.00 0.00 57.90 58.01 1u1i n TYR 243 Cb 0.30 -0.84 0.14 0.00 -0.31 0.00 0.00 39.34 38.64 1u1i n TYR 243 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1u1i n ARG 244 N -2.07 2.84 -2.50 -0.72 5.12 -0.66 -4.98 116.66 113.69 1u1i n ARG 244 Ca 0.06 -2.10 -0.12 0.00 -1.93 0.00 0.00 57.85 53.75 1u1i n ARG 244 Cb 0.39 -1.32 -0.01 0.00 -1.16 0.00 0.00 32.46 30.36 1u1i n ARG 244 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1u1i n ASN 245 N 0.10 -3.79 -4.92 0.55 5.15 -0.35 -4.98 115.26 107.01 1u1i n ASN 245 Ca 0.11 0.17 -0.26 0.00 -0.60 0.00 0.00 54.58 54.00 1u1i n ASN 245 Cb 0.48 -3.22 0.02 0.00 -0.53 0.00 0.00 39.78 36.53 1u1i n ASN 245 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1u1i s MET 246 N -5.09 3.06 -0.08 1.20 -1.94 -0.81 -4.98 119.30 110.66 1u1i s MET 246 Ca 0.03 -0.09 0.03 0.00 -1.71 0.00 0.00 55.69 53.95 1u1i s MET 246 Cb -0.01 -2.36 -0.01 0.00 2.01 0.00 0.00 34.83 34.45 1u1i s MET 246 CO 0.03 -0.51 -0.18 -2.00 -0.01 0.00 0.00 175.02 172.35 1u1i s GLU 247 N -4.84 2.87 -0.41 2.03 2.12 0.34 -4.58 118.70 116.23 1u1i s GLU 247 Ca 0.51 -0.78 -0.29 0.00 0.36 0.00 0.00 54.97 54.77 1u1i s GLU 247 Cb -0.10 -2.38 0.02 0.00 0.26 0.00 0.00 34.13 31.92 1u1i s GLU 247 CO 0.43 0.36 1.17 0.08 -0.54 0.00 0.00 175.26 176.76 1u1i s VAL 248 N -0.07 4.24 -0.03 3.70 1.01 -1.26 -0.50 120.40 127.49 1u1i s VAL 248 Ca -0.04 1.33 -0.17 0.00 0.00 0.00 0.00 61.98 63.10 1u1i s VAL 248 Cb -0.14 -4.47 -0.32 0.00 0.00 0.00 0.00 36.38 31.44 1u1i s VAL 248 CO 0.04 -0.80 0.83 0.58 0.00 0.00 0.00 175.10 175.76 1u1i h VAL 249 N 6.10 1.25 -2.44 2.92 2.07 -1.43 -3.41 116.25 121.31 1u1i h VAL 249 Ca -0.23 -2.57 -0.09 0.00 0.82 0.00 0.00 66.70 64.64 1u1i h VAL 249 Cb 1.07 2.99 -0.20 0.00 -1.52 0.00 0.00 31.29 33.63 1u1i h VAL 249 CO 1.09 0.77 -0.03 -0.83 0.02 0.00 0.00 177.57 178.59 1u1i s GLY 250 N -4.70 -0.40 -0.14 2.17 0.00 -1.22 -1.59 107.32 101.45 1u1i s GLY 250 Ca -0.13 1.08 0.00 0.00 0.00 0.00 0.00 44.72 45.67 1u1i s GLY 250 CO 0.87 0.81 -0.14 0.86 0.00 0.00 0.00 173.10 175.50 1u1i s TRP 251 N -0.79 2.08 -0.01 1.90 -0.11 0.98 -2.19 118.94 120.81 1u1i s TRP 251 Ca -0.09 -1.15 -0.14 0.00 1.22 0.00 0.00 56.10 55.95 1u1i s TRP 251 Cb -0.03 -1.54 -0.06 0.00 -1.50 0.00 0.00 33.47 30.34 1u1i s TRP 251 CO 0.05 -0.64 0.39 1.41 -4.62 0.00 0.00 176.95 173.55 1u1i s MET 252 N 1.47 3.88 -0.03 5.86 -2.45 0.23 -1.14 119.30 127.12 1u1i s MET 252 Ca 0.04 0.37 -0.00 0.00 -1.25 0.00 0.00 55.69 54.85 1u1i s MET 252 Cb -0.13 -3.21 0.03 0.00 1.25 0.00 0.00 34.83 32.77 1u1i s MET 252 CO -0.10 0.70 0.02 -1.12 1.05 0.00 0.00 175.02 175.56 1u1i s SER 253 N -1.09 0.62 -0.03 1.11 0.01 0.21 -2.19 113.70 112.33 1u1i s SER 253 Ca 0.23 -0.00 -0.01 0.00 1.31 0.00 0.00 55.95 57.48 1u1i s SER 253 Cb -0.16 -0.20 0.03 0.00 0.21 0.00 0.00 66.02 65.90 1u1i s SER 253 CO 0.13 -0.14 0.06 -0.47 0.41 0.00 0.00 173.24 173.23 1u1i s TYR 254 N 1.34 -0.01 0.02 2.43 6.04 -1.10 -0.80 117.35 125.27 1u1i s TYR 254 Ca -0.05 0.23 0.04 0.00 0.04 0.00 0.00 57.07 57.32 1u1i s TYR 254 Cb -0.13 -0.25 -0.02 0.00 -1.04 0.00 0.00 41.96 40.52 1u1i s TYR 254 CO -0.03 -0.12 -0.12 -0.80 -1.54 0.00 0.00 175.55 172.94 1u1i s ASN 255 N 1.31 1.46 -0.01 4.32 0.01 -0.95 0.89 114.94 121.97 1u1i s ASN 255 Ca -0.06 -0.35 0.01 0.00 -0.71 0.00 0.00 52.86 51.75 1u1i s ASN 255 Cb -0.13 -0.12 0.01 0.00 0.41 0.00 0.00 41.25 41.43 1u1i s ASN 255 CO -0.04 0.07 -0.03 0.27 -1.51 0.00 0.00 177.10 175.86 1u1i s ILE 256 N -0.62 0.29 0.20 0.60 -4.36 0.15 -1.88 121.20 115.58 1u1i s ILE 256 Ca 0.02 -0.09 -0.05 0.00 -0.26 0.00 0.00 60.65 60.26 1u1i s ILE 256 Cb -0.06 -0.29 0.02 0.00 1.25 0.00 0.00 42.46 43.37 1u1i s ILE 256 CO 0.00 0.12 0.36 0.00 0.24 0.00 0.00 174.94 175.66 1u1i n LEU 257 N 3.40 0.00 -2.64 0.37 -0.00 -1.18 -0.83 117.00 116.11 1u1i n LEU 257 Ca -0.18 -1.39 -0.04 0.00 -0.00 0.00 0.00 56.01 54.40 1u1i n LEU 257 Cb 0.56 1.76 0.11 0.00 -0.00 0.00 0.00 43.42 45.85 1u1i n LEU 257 CO 0.25 -0.41 0.56 0.61 -0.00 0.00 0.00 177.39 178.40 1u1i n GLY 258 N -0.29 1.48 0.00 1.47 0.00 -0.14 0.59 105.19 108.31 1u1i n GLY 258 Ca -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1u1i n GLY 258 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1u1i n ASP 259 N -1.00 1.04 -0.23 1.61 4.64 -1.07 -4.11 116.55 117.43 1u1i n ASP 259 Ca -0.11 0.00 0.03 0.00 -1.38 0.00 0.00 54.79 53.33 1u1i n ASP 259 Cb 0.84 0.00 0.15 0.00 -1.04 0.00 0.00 41.12 41.07 1u1i n ASP 259 CO 0.00 0.00 0.00 1.88 -0.82 0.00 0.00 177.20 178.26 1u1i h TYR 260 N 0.00 0.29 -0.72 -0.67 -1.99 -1.98 0.83 116.97 112.73 1u1i h TYR 260 Ca 0.00 0.04 0.11 0.00 2.00 0.00 0.00 58.73 60.88 1u1i h TYR 260 Cb 0.00 -0.02 -0.13 0.00 2.00 0.00 0.00 36.73 38.58 1u1i h TYR 260 CO 0.00 -0.03 -0.38 0.38 -0.00 0.00 0.00 178.16 178.13 1u1i h ASP 261 N 0.30 -1.35 -0.43 3.88 3.04 -1.94 -0.95 116.42 118.98 1u1i h ASP 261 Ca 0.37 0.26 -0.02 0.00 -3.24 0.00 0.00 57.03 54.40 1u1i h ASP 261 Cb 0.58 0.66 -0.02 0.00 -1.04 0.00 0.00 39.33 39.51 1u1i h ASP 261 CO -0.44 -0.30 0.20 1.23 -2.04 0.00 0.00 179.24 177.88 1u1i h GLY 262 N -0.13 0.66 -0.24 7.15 0.00 -0.14 -2.76 103.07 107.62 1u1i h GLY 262 Ca 0.25 -0.34 0.04 0.00 0.00 0.00 0.00 47.33 47.28 1u1i h GLY 262 CO -0.78 0.32 -0.54 0.50 0.00 0.00 0.00 176.54 176.04 1u1i h LYS 263 N 0.55 -0.48 0.01 4.80 1.57 0.16 -1.70 116.57 121.48 1u1i h LYS 263 Ca 0.15 0.03 -0.22 0.00 -1.87 0.00 0.00 60.65 58.74 1u1i h LYS 263 Cb 0.13 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 1u1i h LYS 263 CO -0.02 -0.32 -1.05 0.28 -0.57 0.00 0.00 179.45 177.77 1u1i h VAL 264 N -0.50 1.67 -0.30 0.50 2.07 -1.39 -3.02 116.25 115.28 1u1i h VAL 264 Ca 0.05 -3.37 -0.16 0.00 0.82 0.00 0.00 66.70 64.04 1u1i h VAL 264 Cb 0.63 2.85 -0.09 0.00 -1.52 0.00 0.00 31.29 33.16 1u1i h VAL 264 CO -0.49 0.96 0.20 0.18 0.02 0.00 0.00 177.57 178.43 1u1i n LEU 265 N -3.36 4.15 -0.00 2.57 4.32 -1.04 -3.25 117.00 120.39 1u1i n LEU 265 Ca -0.01 -2.14 0.10 0.00 -0.02 0.00 0.00 56.01 53.93 1u1i n LEU 265 Cb 0.95 -0.61 -0.14 0.00 -1.62 0.00 0.00 43.42 42.00 1u1i n LEU 265 CO 0.48 0.67 -0.36 -1.54 -1.22 0.00 0.00 177.39 175.42 1u1i n SER 266 N 0.02 0.60 -4.72 -1.43 3.41 -0.65 -4.76 113.62 106.10 1u1i n SER 266 Ca 0.18 -0.55 -0.23 0.00 -0.26 0.00 0.00 58.87 58.00 1u1i n SER 266 Cb 0.85 1.43 -0.07 0.00 -0.26 0.00 0.00 64.21 66.16 1u1i n SER 266 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u1i s ALA 267 N -3.18 3.46 0.25 7.33 0.00 -1.20 -4.98 121.76 123.43 1u1i s ALA 267 Ca 0.01 -1.86 0.02 0.00 0.00 0.00 0.00 51.96 50.13 1u1i s ALA 267 Cb 0.15 -0.66 0.30 0.00 0.00 0.00 0.00 23.12 22.91 1u1i s ALA 267 CO 0.86 0.03 1.62 0.00 0.00 0.00 0.00 175.76 178.27 1u1i h ARG 268 N 1.58 0.39 0.00 0.00 3.08 -1.89 -2.98 114.38 114.56 1u1i h ARG 268 Ca -0.43 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.41 1u1i h ARG 268 Cb 1.25 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.31 1u1i h ARG 268 CO 0.64 0.77 0.00 -0.25 -1.07 0.00 0.00 179.97 180.06 1u1i n ASP 269 N -4.00 0.00 0.24 7.04 8.00 -1.26 -2.65 116.55 123.92 1u1i n ASP 269 Ca -0.02 0.51 -0.14 0.00 0.71 0.00 0.00 54.79 55.85 1u1i n ASP 269 Cb 0.52 -0.01 -0.08 0.00 -0.02 0.00 0.00 41.12 41.54 1u1i n ASP 269 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1u1i h ASN 270 N 0.00 -0.52 0.00 -2.24 4.21 -1.82 -3.10 115.58 112.11 1u1i h ASN 270 Ca 0.00 -0.09 0.00 0.00 1.21 0.00 0.00 56.30 57.42 1u1i h ASN 270 Cb 0.00 0.13 0.00 0.00 -1.12 0.00 0.00 38.32 37.33 1u1i h ASN 270 CO 0.00 -0.19 0.00 1.17 -1.29 0.00 0.00 177.43 177.12 1u1i n LYS 271 N -5.25 0.11 0.01 0.81 4.81 -1.13 -1.55 118.16 115.96 1u1i n LYS 271 Ca -0.11 0.61 -0.12 0.00 -0.87 0.00 0.00 58.31 57.82 1u1i n LYS 271 Cb 0.30 -1.85 0.01 0.00 0.02 0.00 0.00 35.03 33.50 1u1i n LYS 271 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1u1i h GLU 272 N 0.00 0.58 -0.17 1.64 4.81 -1.43 -3.00 114.58 117.01 1u1i h GLU 272 Ca 0.00 -0.43 0.02 0.00 -0.13 0.00 0.00 59.36 58.82 1u1i h GLU 272 Cb 0.00 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1u1i h GLU 272 CO 0.00 1.05 0.03 0.77 -0.73 0.00 0.00 179.01 180.13 1u1i h SER 273 N 0.42 -0.01 0.47 1.04 0.02 -1.45 -3.08 113.55 110.96 1u1i h SER 273 Ca -0.02 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 1u1i h SER 273 Cb 1.26 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.83 1u1i h SER 273 CO 0.13 0.02 -0.31 0.50 -1.14 0.00 0.00 176.83 176.03 1u1i h LYS 274 N 0.09 -0.73 -0.48 3.45 3.64 -1.65 -3.20 116.57 117.69 1u1i h LYS 274 Ca 0.08 0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.59 1u1i h LYS 274 Cb 0.08 0.17 -0.10 0.00 -0.41 0.00 0.00 32.23 31.97 1u1i h LYS 274 CO -0.11 -0.49 -0.38 0.28 -2.27 0.00 0.00 179.45 176.48 1u1i h VAL 275 N -0.76 0.15 -0.98 2.00 2.07 -1.52 -2.41 116.25 114.80 1u1i h VAL 275 Ca -0.05 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.59 1u1i h VAL 275 Cb 0.63 0.15 -0.08 0.00 -1.52 0.00 0.00 31.29 30.47 1u1i h VAL 275 CO 0.04 0.00 0.62 -0.07 0.02 0.00 0.00 177.57 178.18 1u1i h LEU 276 N -0.25 0.90 0.01 2.57 3.38 -1.53 0.58 115.31 120.96 1u1i h LEU 276 Ca 0.18 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 1u1i h LEU 276 Cb 0.56 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1u1i h LEU 276 CO -0.61 0.48 -0.01 0.28 0.09 0.00 0.00 178.44 178.68 1u1i h SER 277 N 0.97 -0.01 -0.14 -0.43 0.02 -1.46 -1.00 113.55 111.49 1u1i h SER 277 Ca 0.48 -0.32 0.02 0.00 -0.84 0.00 0.00 61.79 61.13 1u1i h SER 277 Cb 0.49 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.00 1u1i h SER 277 CO -0.25 0.31 -0.21 0.11 -1.14 0.00 0.00 176.83 175.66 1u1i h LYS 278 N -0.34 -0.15 -0.01 3.45 1.57 -0.79 -3.14 116.57 117.16 1u1i h LYS 278 Ca -0.00 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1u1i h LYS 278 Cb 0.33 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1u1i h LYS 278 CO 0.00 -0.10 0.00 0.22 -0.57 0.00 0.00 179.45 179.01 1u1i h ASP 279 N -0.15 0.02 -1.00 0.86 1.82 0.06 -3.21 116.42 114.81 1u1i h ASP 279 Ca 0.03 -0.23 0.26 0.00 -0.39 0.00 0.00 57.03 56.69 1u1i h ASP 279 Cb 0.22 -0.01 -0.07 0.00 0.68 0.00 0.00 39.33 40.15 1u1i h ASP 279 CO -0.22 0.24 0.67 0.11 -1.61 0.00 0.00 179.24 178.44 1u1i h LYS 280 N -0.20 0.31 -0.98 0.28 6.56 -1.22 -2.87 116.57 118.44 1u1i h LYS 280 Ca 0.00 -0.02 0.34 0.00 -1.06 0.00 0.00 60.65 59.92 1u1i h LYS 280 Cb 0.23 -0.07 -0.17 0.00 -0.57 0.00 0.00 32.23 31.65 1u1i h LYS 280 CO 0.00 0.20 0.40 0.28 -2.06 0.00 0.00 179.45 178.28 1u1i h VAL 281 N 0.32 0.11 -0.71 0.50 2.07 -1.54 -1.35 116.25 115.65 1u1i h VAL 281 Ca 0.54 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 68.04 1u1i h VAL 281 Cb 1.52 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 1u1i h VAL 281 CO -0.20 0.02 0.46 0.25 0.02 0.00 0.00 177.57 178.12 1u1i h LEU 282 N 0.10 0.79 -0.62 2.57 5.85 -1.75 -2.80 115.31 119.46 1u1i h LEU 282 Ca 0.74 -0.01 0.09 0.00 0.84 0.00 0.00 57.88 59.53 1u1i h LEU 282 Cb 1.77 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 42.54 1u1i h LEU 282 CO -0.75 0.56 0.25 -0.33 -0.34 0.00 0.00 178.44 177.83 1u1i h GLU 283 N 0.93 0.43 0.00 1.25 3.07 -1.44 -2.77 114.58 116.05 1u1i h GLU 283 Ca 0.27 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.10 1u1i h GLU 283 Cb -0.07 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 27.74 1u1i h GLU 283 CO -0.07 0.28 -0.05 1.63 -1.40 0.00 0.00 179.01 179.40 1u1i n LYS 284 N -4.97 0.20 -0.00 2.33 5.02 -1.06 -2.49 118.16 117.18 1u1i n LYS 284 Ca 0.09 0.15 -0.22 0.00 -2.02 0.00 0.00 58.31 56.31 1u1i n LYS 284 Cb 0.26 -1.72 -0.14 0.00 -0.02 0.00 0.00 35.03 33.42 1u1i n LYS 284 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 1u1i h MET 285 N 0.00 0.23 0.00 1.97 2.86 -1.42 -3.40 114.93 115.18 1u1i h MET 285 Ca 0.00 -0.40 0.00 0.00 -2.06 0.00 0.00 59.70 57.24 1u1i h MET 285 Cb 0.68 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.49 1u1i h MET 285 CO 0.00 1.19 -1.49 1.28 1.06 0.00 0.00 176.91 178.95 1u1i n LEU 286 N -3.76 0.48 0.00 1.22 4.77 -1.18 -4.92 117.00 113.60 1u1i n LEU 286 Ca -0.29 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 1u1i n LEU 286 Cb 0.95 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 42.03 1u1i n LEU 286 CO 0.40 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1u1i n GLY 287 N 1.37 0.61 3.16 -0.72 0.00 -1.04 -5.03 105.19 103.54 1u1i n GLY 287 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1u1i n GLY 287 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1u1i s TYR 288 N -2.05 0.74 -0.58 1.61 1.13 -1.24 -5.05 117.35 111.91 1u1i s TYR 288 Ca 0.00 -1.14 -0.02 0.00 -1.41 0.00 0.00 57.07 54.50 1u1i s TYR 288 Cb 0.00 -0.41 0.15 0.00 -1.10 0.00 0.00 41.96 40.60 1u1i s TYR 288 CO 0.00 -0.52 0.38 0.45 -2.51 0.00 0.00 175.55 173.35 1u1i s SER 289 N -3.01 5.12 0.80 -0.18 0.15 -1.26 -4.36 113.70 110.96 1u1i s SER 289 Ca 0.20 -2.75 -0.12 0.00 0.70 0.00 0.00 55.95 53.99 1u1i s SER 289 Cb 0.07 -1.82 0.08 0.00 -1.71 0.00 0.00 66.02 62.64 1u1i s SER 289 CO -0.01 -0.38 1.17 -2.16 1.20 0.00 0.00 173.24 173.07 1u1i s PRO 290 N 0.10 2.01 0.18 5.44 0.04 -1.26 -4.97 135.00 136.53 1u1i s PRO 290 Ca 0.16 0.13 -0.32 0.00 0.04 0.00 0.00 61.00 61.00 1u1i s PRO 290 Cb -0.21 -1.96 -0.11 0.00 0.04 0.00 0.00 34.50 32.27 1u1i s PRO 290 CO -0.03 -1.57 1.62 -0.47 0.04 0.00 0.00 177.00 176.60 1u1i s TYR 291 N -3.56 2.98 -0.05 0.56 6.14 -0.62 -4.87 117.35 117.93 1u1i s TYR 291 Ca 0.62 0.52 -0.03 0.00 0.64 0.00 0.00 57.07 58.81 1u1i s TYR 291 Cb -0.11 -4.00 0.03 0.00 0.42 0.00 0.00 41.96 38.29 1u1i s TYR 291 CO 0.49 -3.75 0.12 -1.54 0.64 0.00 0.00 175.55 171.52 1u1i s SER 292 N 1.21 -0.10 -0.11 4.32 1.04 -1.26 -0.01 113.70 118.79 1u1i s SER 292 Ca 0.72 0.25 0.03 0.00 0.48 0.00 0.00 55.95 57.43 1u1i s SER 292 Cb -0.46 0.19 0.01 0.00 0.10 0.00 0.00 66.02 65.86 1u1i s SER 292 CO 0.32 -0.10 -0.20 -0.63 0.98 0.00 0.00 173.24 173.61 1u1i s ILE 293 N 0.65 1.80 -0.16 -1.02 1.01 -0.29 -4.95 121.20 118.23 1u1i s ILE 293 Ca -0.05 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 59.76 1u1i s ILE 293 Cb -0.07 -1.59 0.03 0.00 0.01 0.00 0.00 42.46 40.84 1u1i s ILE 293 CO -0.03 0.50 -0.14 -0.89 0.00 0.00 0.00 174.94 174.38 1u1i s THR 294 N 0.63 1.67 0.12 2.92 2.01 -1.26 0.65 115.64 122.38 1u1i s THR 294 Ca -0.13 -0.76 0.04 0.00 0.31 0.00 0.00 61.69 61.14 1u1i s THR 294 Cb -0.16 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.71 1u1i s THR 294 CO 0.04 0.41 -0.09 -1.61 -0.69 0.00 0.00 174.62 172.67 1u1i s GLU 295 N 1.43 0.95 -0.04 4.92 0.41 0.02 -5.01 118.70 121.38 1u1i s GLU 295 Ca 0.04 -1.35 -0.01 0.00 -0.41 0.00 0.00 54.97 53.23 1u1i s GLU 295 Cb -0.14 -0.49 0.03 0.00 -1.78 0.00 0.00 34.13 31.75 1u1i s GLU 295 CO -0.11 0.05 0.03 0.42 -0.49 0.00 0.00 175.26 175.16 1u1i s ILE 296 N -3.21 0.09 -0.01 -1.63 1.01 -1.26 -2.24 121.20 113.95 1u1i s ILE 296 Ca 0.13 0.23 0.04 0.00 0.00 0.00 0.00 60.65 61.05 1u1i s ILE 296 Cb 0.02 -0.26 -0.01 0.00 0.01 0.00 0.00 42.46 42.22 1u1i s ILE 296 CO -0.01 0.18 -0.12 -1.10 0.00 0.00 0.00 174.94 173.89 1u1i s GLN 297 N 1.65 0.96 -0.68 2.79 -1.52 -0.79 -4.96 119.66 117.11 1u1i s GLN 297 Ca -0.01 -0.41 -0.26 0.00 -1.95 0.00 0.00 55.36 52.72 1u1i s GLN 297 Cb -0.13 -0.92 -0.01 0.00 -0.22 0.00 0.00 33.01 31.73 1u1i s GLN 297 CO -0.03 0.24 1.70 -0.47 -0.25 0.00 0.00 175.29 176.48 1u1i s TYR 298 N -0.24 1.86 -0.60 0.91 6.04 -1.26 -3.08 117.35 120.99 1u1i s TYR 298 Ca 0.04 0.50 -0.13 0.00 0.04 0.00 0.00 57.07 57.52 1u1i s TYR 298 Cb -0.05 -4.25 0.15 0.00 -1.04 0.00 0.00 41.96 36.77 1u1i s TYR 298 CO -0.00 -2.19 0.52 0.12 -1.54 0.00 0.00 175.55 172.45 1u1i s PHE 299 N 8.14 3.44 -0.27 4.97 2.19 0.20 -4.94 117.98 131.70 1u1i s PHE 299 Ca 0.58 -1.73 0.00 0.00 0.33 0.00 0.00 56.93 56.11 1u1i s PHE 299 Cb -0.11 -3.68 0.00 0.00 -1.31 0.00 0.00 43.02 37.93 1u1i s PHE 299 CO 0.17 -0.99 0.78 -0.35 1.83 0.00 0.00 175.22 176.65 1u1i n PRO 300 N 4.72 0.90 -0.06 10.12 -0.04 -1.26 -2.32 135.00 147.06 1u1i n PRO 300 Ca -0.04 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.35 1u1i n PRO 300 Cb 0.42 -1.16 -0.09 0.00 -0.04 0.00 0.00 33.50 32.63 1u1i n PRO 300 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1u1i n SER 301 N 0.42 2.16 0.04 3.54 2.88 -1.26 -4.73 113.62 116.66 1u1i n SER 301 Ca 0.00 -0.01 -0.22 0.00 -1.33 0.00 0.00 58.87 57.30 1u1i n SER 301 Cb 0.39 0.63 -0.14 0.00 -0.75 0.00 0.00 64.21 64.34 1u1i n SER 301 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1u1i h LEU 302 N 0.00 0.50 0.00 2.46 3.38 -1.83 -3.50 115.31 116.33 1u1i h LEU 302 Ca -0.33 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 56.72 1u1i h LEU 302 Cb 1.71 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.29 1u1i h LEU 302 CO 0.01 1.78 0.00 0.52 0.09 0.00 0.00 178.44 180.84 1u1i n VAL 303 N -3.64 0.00 0.20 1.22 0.31 -1.25 -2.15 118.33 113.01 1u1i n VAL 303 Ca -0.27 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.17 1u1i n VAL 303 Cb 1.03 0.00 0.26 0.00 -0.91 0.00 0.00 33.84 34.22 1u1i n VAL 303 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1u1i n ASP 304 N 10.36 3.40 -3.60 4.52 2.03 -1.26 -0.97 116.55 131.04 1u1i n ASP 304 Ca 0.00 -1.98 -0.41 0.00 0.52 0.00 0.00 54.79 52.93 1u1i n ASP 304 Cb 0.00 -0.32 -0.01 0.00 -0.72 0.00 0.00 41.12 40.07 1u1i n ASP 304 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1u1i n ASN 305 N 1.41 6.25 -4.67 1.67 4.05 -0.91 -1.60 115.26 121.45 1u1i n ASN 305 Ca 0.20 -2.87 -0.42 0.00 0.45 0.00 0.00 54.58 51.94 1u1i n ASN 305 Cb 0.57 -1.54 -0.03 0.00 1.23 0.00 0.00 39.78 40.01 1u1i n ASN 305 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 1u1i s LYS 306 N 1.56 4.16 -0.13 1.20 2.20 -1.22 -4.81 119.74 122.71 1u1i s LYS 306 Ca 0.53 2.43 -0.02 0.00 -0.36 0.00 0.00 55.97 58.55 1u1i s LYS 306 Cb 0.15 -3.93 -0.03 0.00 -1.51 0.00 0.00 37.83 32.51 1u1i s LYS 306 CO -0.06 -0.87 -0.05 0.99 -0.36 0.00 0.00 175.35 175.00 1u1i s THR 307 N 3.77 3.79 -0.01 3.43 2.01 -0.01 -4.16 115.64 124.45 1u1i s THR 307 Ca 0.80 -0.41 0.04 0.00 0.31 0.00 0.00 61.69 62.43 1u1i s THR 307 Cb -0.40 -2.62 -0.01 0.00 0.01 0.00 0.00 72.50 69.48 1u1i s THR 307 CO 0.36 0.53 -0.14 0.00 -0.69 0.00 0.00 174.62 174.68 1u1i s ALA 308 N -0.01 1.16 -0.18 7.40 0.00 -0.90 0.32 121.76 129.55 1u1i s ALA 308 Ca 0.00 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.38 1u1i s ALA 308 Cb -0.13 -0.31 0.02 0.00 0.00 0.00 0.00 23.12 22.70 1u1i s ALA 308 CO 0.03 0.28 -0.19 -0.06 0.00 0.00 0.00 175.76 175.81 1u1i s PHE 309 N -0.28 2.79 0.03 0.00 0.08 0.26 -0.26 117.98 120.60 1u1i s PHE 309 Ca 0.04 -1.60 0.09 0.00 0.12 0.00 0.00 56.93 55.58 1u1i s PHE 309 Cb -0.06 -1.93 -0.03 0.00 -0.57 0.00 0.00 43.02 40.44 1u1i s PHE 309 CO -0.00 -0.79 -0.26 -0.51 -0.10 0.00 0.00 175.22 173.56 1u1i s ASP 310 N 1.29 3.17 -0.09 1.36 -0.00 0.15 -2.70 116.67 119.85 1u1i s ASP 310 Ca 0.05 -0.56 0.02 0.00 -0.00 0.00 0.00 52.55 52.06 1u1i s ASP 310 Cb -0.13 -0.31 0.01 0.00 -0.00 0.00 0.00 42.92 42.49 1u1i s ASP 310 CO -0.12 0.27 -0.15 0.12 -0.00 0.00 0.00 175.17 175.29 1u1i s PHE 311 N -0.77 1.79 -0.18 4.23 2.19 -0.93 -0.92 117.98 123.39 1u1i s PHE 311 Ca 0.11 -0.76 0.00 0.00 0.33 0.00 0.00 56.93 56.61 1u1i s PHE 311 Cb -0.10 -1.29 0.01 0.00 -1.31 0.00 0.00 43.02 40.33 1u1i s PHE 311 CO 0.01 -0.38 -0.16 0.08 1.83 0.00 0.00 175.22 176.60 1u1i s VAL 312 N 0.80 2.39 -0.43 3.12 1.01 -0.67 0.78 120.40 127.41 1u1i s VAL 312 Ca -0.11 -0.84 -0.10 0.00 0.00 0.00 0.00 61.98 60.94 1u1i s VAL 312 Cb -0.16 -2.02 0.08 0.00 0.00 0.00 0.00 36.38 34.28 1u1i s VAL 312 CO 0.02 0.51 0.28 -2.28 0.00 0.00 0.00 175.10 173.63 1u1i s HIS 313 N 1.23 3.34 0.22 5.22 2.46 -0.93 -1.45 115.29 125.39 1u1i s HIS 313 Ca 0.03 -1.50 0.10 0.00 0.47 0.00 0.00 55.06 54.16 1u1i s HIS 313 Cb -0.14 -3.00 -0.05 0.00 -0.13 0.00 0.00 32.58 29.26 1u1i s HIS 313 CO -0.09 -0.85 -0.18 -0.59 -2.47 0.00 0.00 174.74 170.56 1u1i s PHE 314 N 1.44 1.99 -0.03 3.88 -0.71 0.13 -0.99 117.98 123.69 1u1i s PHE 314 Ca 0.03 -0.45 0.07 0.00 -1.04 0.00 0.00 56.93 55.55 1u1i s PHE 314 Cb -0.23 -0.91 -0.02 0.00 -1.21 0.00 0.00 43.02 40.65 1u1i s PHE 314 CO 0.02 0.50 -0.25 0.15 -1.34 0.00 0.00 175.22 174.30 1u1i s LYS 315 N -3.37 2.21 0.00 1.99 1.02 0.35 -0.75 119.74 121.18 1u1i s LYS 315 Ca 0.24 -0.91 0.00 0.00 0.02 0.00 0.00 55.97 55.32 1u1i s LYS 315 Cb -0.04 -2.08 0.00 0.00 -0.52 0.00 0.00 37.83 35.19 1u1i s LYS 315 CO 0.10 0.54 0.00 0.41 -0.92 0.00 0.00 175.35 175.48 1u1i n GLY 316 N 2.51 7.27 2.51 -3.33 0.00 -1.23 -0.50 105.19 112.42 1u1i n GLY 316 Ca -0.16 -1.93 -0.41 0.00 0.00 0.00 0.00 46.02 43.51 1u1i n GLY 316 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1u1i n PHE 317 N 0.00 0.33 -0.76 1.61 7.35 -1.26 -1.45 117.46 123.29 1u1i n PHE 317 Ca 0.00 0.75 0.00 0.00 -0.76 0.00 0.00 57.45 57.44 1u1i n PHE 317 Cb 0.00 -1.49 0.00 0.00 0.35 0.00 0.00 39.48 38.34 1u1i n PHE 317 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1u1i n LEU 318 N 1.14 0.52 0.00 -2.13 4.77 -1.26 -3.10 117.00 116.94 1u1i n LEU 318 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1u1i n LEU 318 Cb 0.08 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 1u1i n LEU 318 CO 0.43 -0.28 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 1u1i n GLY 319 N -1.93 0.75 3.77 -0.72 0.00 -0.53 -5.04 105.19 101.49 1u1i n GLY 319 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1u1i n GLY 319 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1u1i s LYS 320 N -0.52 4.06 -0.00 1.61 2.47 -1.18 -4.87 119.74 121.31 1u1i s LYS 320 Ca 0.00 2.22 -0.04 0.00 -1.56 0.00 0.00 55.97 56.59 1u1i s LYS 320 Cb 0.00 -2.84 -0.04 0.00 -1.46 0.00 0.00 37.83 33.48 1u1i s LYS 320 CO 0.00 -0.44 0.21 -0.51 0.16 0.00 0.00 175.35 174.77 1u1i s LEU 321 N -2.27 4.37 0.04 5.43 1.43 -1.26 -3.47 118.68 122.95 1u1i s LEU 321 Ca 0.55 0.42 -0.02 0.00 -1.03 0.00 0.00 54.13 54.05 1u1i s LEU 321 Cb -0.39 -2.65 -0.03 0.00 0.03 0.00 0.00 46.19 43.15 1u1i s LEU 321 CO 0.52 0.26 0.01 -0.04 0.23 0.00 0.00 176.35 177.32 1u1i s MET 322 N -1.89 0.55 0.07 1.70 -1.94 0.07 -5.00 119.30 112.86 1u1i s MET 322 Ca 0.28 -0.99 0.02 0.00 -1.71 0.00 0.00 55.69 53.29 1u1i s MET 322 Cb -0.13 0.20 -0.03 0.00 2.01 0.00 0.00 34.83 36.88 1u1i s MET 322 CO 0.18 -0.11 -0.07 0.15 -0.01 0.00 0.00 175.02 175.16 1u1i s LYS 323 N -3.14 0.67 -0.09 2.03 1.02 -1.26 0.22 119.74 119.19 1u1i s LYS 323 Ca -0.00 -1.05 -0.06 0.00 0.02 0.00 0.00 55.97 54.88 1u1i s LYS 323 Cb 0.02 -0.20 0.03 0.00 -0.52 0.00 0.00 37.83 37.17 1u1i s LYS 323 CO -0.07 0.00 0.22 0.12 -0.92 0.00 0.00 175.35 174.70 1u1i s PHE 324 N -2.61 -0.27 0.29 3.18 2.19 -0.53 -4.98 117.98 115.25 1u1i s PHE 324 Ca 0.01 0.66 0.11 0.00 0.33 0.00 0.00 56.93 58.04 1u1i s PHE 324 Cb -0.02 0.04 -0.05 0.00 -1.31 0.00 0.00 43.02 41.69 1u1i s PHE 324 CO -0.03 -0.17 -0.17 0.71 1.83 0.00 0.00 175.22 177.39 1u1i s TYR 325 N 0.77 2.27 -0.02 10.12 1.51 -1.26 -1.67 117.35 129.07 1u1i s TYR 325 Ca -0.05 -0.39 -0.29 0.00 -1.01 0.00 0.00 57.07 55.33 1u1i s TYR 325 Cb -0.07 -1.06 0.07 0.00 -0.11 0.00 0.00 41.96 40.79 1u1i s TYR 325 CO -0.05 0.66 0.65 -0.59 -1.11 0.00 0.00 175.55 175.11 1u1i s PHE 326 N -2.57 -0.61 -0.09 2.71 -0.12 -0.10 -4.96 117.98 112.23 1u1i s PHE 326 Ca 0.30 0.96 0.02 0.00 -0.05 0.00 0.00 56.93 58.16 1u1i s PHE 326 Cb -0.03 0.41 0.02 0.00 -0.63 0.00 0.00 43.02 42.79 1u1i s PHE 326 CO 0.15 -0.63 -0.13 0.42 -0.05 0.00 0.00 175.22 174.97 1u1i s ILE 327 N -1.57 1.30 -0.34 -4.49 1.01 -1.26 0.29 121.20 116.15 1u1i s ILE 327 Ca -0.09 -0.53 -0.14 0.00 0.00 0.00 0.00 60.65 59.89 1u1i s ILE 327 Cb -0.00 -1.21 -0.02 0.00 0.01 0.00 0.00 42.46 41.24 1u1i s ILE 327 CO 0.06 0.40 0.30 0.86 0.00 0.00 0.00 174.94 176.56 1u1i s TRP 328 N 1.00 3.22 -0.48 3.97 -0.11 0.64 -4.96 118.94 122.21 1u1i s TRP 328 Ca -0.07 -0.09 0.03 0.00 1.22 0.00 0.00 56.10 57.19 1u1i s TRP 328 Cb -0.15 -2.56 0.13 0.00 -1.50 0.00 0.00 33.47 29.39 1u1i s TRP 328 CO -0.01 -0.38 0.24 0.34 -4.62 0.00 0.00 176.95 172.53 1u1i s ASP 329 N 1.73 4.08 0.27 5.86 2.15 -1.26 -2.12 116.67 127.38 1u1i s ASP 329 Ca 0.09 -2.83 -0.21 0.00 0.43 0.00 0.00 52.55 50.03 1u1i s ASP 329 Cb -0.17 -1.41 0.03 0.00 -0.30 0.00 0.00 42.92 41.07 1u1i s ASP 329 CO 0.11 -0.25 0.71 0.00 -0.17 0.00 0.00 175.17 175.57 1u1i s ALA 330 N -0.00 -1.26 -0.15 3.66 0.00 -1.26 -5.11 121.76 117.63 1u1i s ALA 330 Ca 0.17 -0.22 -0.18 0.00 0.00 0.00 0.00 51.96 51.74 1u1i s ALA 330 Cb -0.25 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.68 1u1i s ALA 330 CO -0.00 -1.01 0.46 0.42 0.00 0.00 0.00 175.76 175.63 1u1i s ILE 331 N -3.90 5.18 0.01 0.00 -1.09 -1.26 -3.45 121.20 116.68 1u1i s ILE 331 Ca 0.10 0.89 -0.19 0.00 -2.23 0.00 0.00 60.65 59.21 1u1i s ILE 331 Cb -0.05 -3.80 -0.11 0.00 -1.58 0.00 0.00 42.46 36.92 1u1i s ILE 331 CO 0.05 0.28 1.01 0.44 -1.23 0.00 0.00 174.94 175.48 1u1i h ASP 332 N 7.00 -0.59 -1.04 3.58 5.19 -1.63 -2.91 116.42 126.02 1u1i h ASP 332 Ca -0.38 0.02 0.32 0.00 -0.62 0.00 0.00 57.03 56.37 1u1i h ASP 332 Cb 1.17 0.15 -0.06 0.00 0.18 0.00 0.00 39.33 40.77 1u1i h ASP 332 CO 0.75 -0.32 0.73 0.00 -3.12 0.00 0.00 179.24 177.27 1u1i n ALA 333 N -2.50 1.01 0.02 3.45 0.00 -1.26 -0.47 120.51 120.76 1u1i n ALA 333 Ca -0.09 0.43 -0.00 0.00 0.00 0.00 0.00 53.44 53.78 1u1i n ALA 333 Cb 0.27 -0.66 -0.10 0.00 0.00 0.00 0.00 19.45 18.97 1u1i n ALA 333 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1u1i n ILE 334 N -3.39 1.13 0.00 0.00 2.08 -1.11 -1.63 119.36 116.43 1u1i n ILE 334 Ca 0.25 -0.69 0.05 0.00 0.56 0.00 0.00 62.75 62.92 1u1i n ILE 334 Cb 1.10 -0.66 -0.12 0.00 -0.75 0.00 0.00 39.64 39.21 1u1i n ILE 334 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44 1u1i n VAL 335 N -2.83 0.64 0.04 1.39 0.24 0.38 -4.29 118.33 113.91 1u1i n VAL 335 Ca -0.12 -0.62 -0.06 0.00 -2.04 0.00 0.00 64.34 61.50 1u1i n VAL 335 Cb 0.85 -0.31 -0.04 0.00 -1.47 0.00 0.00 33.84 32.87 1u1i n VAL 335 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1u1i h ALA 336 N 1.68 -0.21 -0.88 2.33 0.00 -1.17 -3.40 119.26 117.61 1u1i h ALA 336 Ca -0.14 -0.13 0.15 0.00 0.00 0.00 0.00 54.91 54.79 1u1i h ALA 336 Cb 1.37 0.08 -0.15 0.00 0.00 0.00 0.00 17.79 19.09 1u1i h ALA 336 CO 0.02 -0.22 -0.33 0.00 0.00 0.00 0.00 179.25 178.72 1u1i h ALA 337 N -0.83 0.23 0.00 0.00 0.00 -1.49 0.24 119.26 117.41 1u1i h ALA 337 Ca -0.02 0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1u1i h ALA 337 Cb 0.32 0.87 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1u1i h ALA 337 CO 0.04 -0.57 -0.04 -1.00 0.00 0.00 0.00 179.25 177.67 1u1i h PRO 338 N -0.04 0.00 -0.49 0.00 0.13 -1.79 -2.26 132.00 127.54 1u1i h PRO 338 Ca 0.34 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.50 1u1i h PRO 338 Cb 0.60 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.70 1u1i h PRO 338 CO -0.90 0.04 0.27 -0.07 -0.23 0.00 0.00 178.00 177.11 1u1i h LEU 339 N 0.00 0.42 -0.54 1.56 3.38 -0.74 -2.57 115.31 116.83 1u1i h LEU 339 Ca -0.00 0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.09 1u1i h LEU 339 Cb 0.07 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 40.66 1u1i h LEU 339 CO 0.00 0.30 0.02 0.40 0.09 0.00 0.00 178.44 179.25 1u1i h ILE 340 N 0.54 0.59 -0.04 1.22 1.08 -1.38 0.18 117.51 119.70 1u1i h ILE 340 Ca 0.21 -0.05 -0.14 0.00 -0.39 0.00 0.00 64.86 64.49 1u1i h ILE 340 Cb 0.07 0.44 -0.01 0.00 -3.07 0.00 0.00 36.82 34.25 1u1i h ILE 340 CO -0.12 0.02 -0.60 -0.07 -0.69 0.00 0.00 178.15 176.70 1u1i h LEU 341 N 0.14 0.16 0.35 1.44 3.38 -1.61 -2.41 115.31 116.75 1u1i h LEU 341 Ca 0.27 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1u1i h LEU 341 Cb 0.42 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1u1i h LEU 341 CO -0.44 0.72 -0.17 0.44 0.09 0.00 0.00 178.44 179.09 1u1i h ASP 342 N 0.11 -0.39 -0.69 -0.43 3.45 -0.81 -2.48 116.42 115.17 1u1i h ASP 342 Ca -0.01 -0.13 0.17 0.00 0.43 0.00 0.00 57.03 57.49 1u1i h ASP 342 Cb 1.08 0.10 -0.04 0.00 -0.56 0.00 0.00 39.33 39.91 1u1i h ASP 342 CO 0.09 -0.08 0.48 0.40 -1.57 0.00 0.00 179.24 178.56 1u1i h ILE 343 N -0.73 0.74 0.32 0.35 2.04 -0.68 0.03 117.51 119.59 1u1i h ILE 343 Ca -0.05 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 1u1i h ILE 343 Cb 0.50 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1u1i h ILE 343 CO 0.08 0.04 -0.15 0.00 0.00 0.00 0.00 178.15 178.11 1u1i h ALA 344 N 1.67 -0.43 0.00 1.87 0.00 -1.23 -1.97 119.26 119.16 1u1i h ALA 344 Ca 0.34 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1u1i h ALA 344 Cb 1.02 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1u1i h ALA 344 CO -0.07 -0.67 -0.25 0.00 0.00 0.00 0.00 179.25 178.25 1u1i h ARG 345 N -0.57 0.00 0.00 0.00 3.08 -0.82 -2.37 114.38 113.70 1u1i h ARG 345 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1u1i h ARG 345 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1u1i h ARG 345 CO 0.07 0.25 0.00 1.19 -1.07 0.00 0.00 179.97 180.42 1u1i n PHE 346 N -3.32 0.68 -0.11 3.04 3.72 -0.10 -2.61 117.46 118.76 1u1i n PHE 346 Ca 0.01 0.20 -0.24 0.00 -0.05 0.00 0.00 57.45 57.37 1u1i n PHE 346 Cb 0.50 -0.83 -0.11 0.00 -0.94 0.00 0.00 39.48 38.10 1u1i n PHE 346 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1u1i n LEU 347 N -2.06 1.89 -0.07 4.37 4.77 -0.75 -3.56 117.00 121.60 1u1i n LEU 347 Ca 0.06 0.40 -0.07 0.00 -0.03 0.00 0.00 56.01 56.37 1u1i n LEU 347 Cb 0.40 -0.92 -0.01 0.00 -2.33 0.00 0.00 43.42 40.56 1u1i n LEU 347 CO 0.29 0.34 0.77 0.25 -1.33 0.00 0.00 177.39 177.71 1u1i h LEU 348 N -1.00 -0.45 -1.23 2.23 7.12 -1.55 0.16 115.31 120.59 1u1i h LEU 348 Ca -0.45 0.11 0.16 0.00 0.13 0.00 0.00 57.88 57.83 1u1i h LEU 348 Cb 1.38 0.25 -0.08 0.00 -0.53 0.00 0.00 40.66 41.68 1u1i h LEU 348 CO -0.27 -0.17 0.59 0.15 -0.13 0.00 0.00 178.44 178.61 1u1i h PHE 349 N -0.10 0.87 0.53 1.25 3.04 -1.70 0.56 116.94 121.41 1u1i h PHE 349 Ca 0.14 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.09 1u1i h PHE 349 Cb 0.31 -0.27 0.01 0.00 2.56 0.00 0.00 35.95 38.56 1u1i h PHE 349 CO -0.32 0.29 -0.26 0.00 -2.02 0.00 0.00 178.31 176.00 1u1i h ALA 350 N 1.60 -0.71 -1.29 2.41 0.00 -1.29 -0.58 119.26 119.39 1u1i h ALA 350 Ca 0.48 -0.19 0.40 0.00 0.00 0.00 0.00 54.91 55.60 1u1i h ALA 350 Cb 0.78 0.28 -0.11 0.00 0.00 0.00 0.00 17.79 18.74 1u1i h ALA 350 CO -0.24 -0.81 0.85 -0.22 0.00 0.00 0.00 179.25 178.83 1u1i h LYS 351 N -0.91 0.14 -0.00 0.00 3.64 0.95 0.30 116.57 120.69 1u1i h LYS 351 Ca -0.07 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1u1i h LYS 351 Cb 0.62 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1u1i h LYS 351 CO 0.12 0.09 -0.44 1.63 -2.27 0.00 0.00 179.45 178.58 1u1i n LYS 352 N -4.59 0.44 -0.01 1.90 5.02 0.18 -3.38 118.16 117.72 1u1i n LYS 352 Ca 0.34 -0.28 0.06 0.00 -2.02 0.00 0.00 58.31 56.41 1u1i n LYS 352 Cb 1.33 -1.49 0.05 0.00 -0.02 0.00 0.00 35.03 34.91 1u1i n LYS 352 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1u1i n LYS 353 N -1.03 0.76 0.00 1.97 4.76 0.91 -4.99 118.16 120.54 1u1i n LYS 353 Ca 0.08 -1.25 0.00 0.00 -2.87 0.00 0.00 58.31 54.27 1u1i n LYS 353 Cb 0.35 -1.23 0.00 0.00 -1.84 0.00 0.00 35.03 32.31 1u1i n LYS 353 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1u1i n GLY 354 N 0.67 2.77 3.62 0.72 0.00 -0.23 -5.01 105.19 107.72 1u1i n GLY 354 Ca 0.07 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.61 1u1i n GLY 354 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1u1i n VAL 355 N -2.00 0.64 -4.31 1.61 0.31 -1.01 -4.95 118.33 108.62 1u1i n VAL 355 Ca 0.00 -0.16 -0.23 0.00 -0.01 0.00 0.00 64.34 63.94 1u1i n VAL 355 Cb 0.00 -1.10 -0.13 0.00 -0.91 0.00 0.00 33.84 31.71 1u1i n VAL 355 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1u1i s LYS 356 N -0.08 1.09 1.42 5.55 -2.85 -1.26 -3.79 119.74 119.83 1u1i s LYS 356 Ca 0.74 -1.09 0.00 0.00 -1.00 0.00 0.00 55.97 54.63 1u1i s LYS 356 Cb -0.79 -1.29 0.00 0.00 -2.06 0.00 0.00 37.83 33.69 1u1i s LYS 356 CO 0.49 0.30 0.00 0.41 0.10 0.00 0.00 175.35 176.65 1u1i n GLY 357 N 1.24 -0.28 3.70 0.59 0.00 0.50 -4.75 105.19 106.19 1u1i n GLY 357 Ca -0.19 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 1u1i n GLY 357 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1i s VAL 358 N 0.00 3.96 -1.00 1.61 1.01 -1.26 0.17 120.40 124.90 1u1i s VAL 358 Ca 0.00 1.36 -0.10 0.00 0.00 0.00 0.00 61.98 63.24 1u1i s VAL 358 Cb 0.00 -3.87 0.25 0.00 0.00 0.00 0.00 36.38 32.76 1u1i s VAL 358 CO 0.00 0.04 0.97 -0.69 0.00 0.00 0.00 175.10 175.42 1u1i s VAL 359 N 1.82 5.76 -2.00 2.92 1.01 -0.64 -4.85 120.40 124.42 1u1i s VAL 359 Ca 0.60 -3.13 0.05 0.00 0.00 0.00 0.00 61.98 59.50 1u1i s VAL 359 Cb -0.29 -4.50 0.15 0.00 0.00 0.00 0.00 36.38 31.74 1u1i s VAL 359 CO 0.26 -1.12 1.08 2.29 0.00 0.00 0.00 175.10 177.61 1u1i n LYS 360 N 3.11 0.87 -0.09 2.72 -0.00 -1.26 -2.66 118.16 120.85 1u1i n LYS 360 Ca 0.20 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.63 1u1i n LYS 360 Cb 0.42 -1.09 0.23 0.00 -0.00 0.00 0.00 35.03 34.59 1u1i n LYS 360 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1u1i n GLU 361 N -0.59 2.25 -1.01 -1.58 4.71 -1.26 -3.69 120.64 119.46 1u1i n GLU 361 Ca 0.04 -1.86 -0.09 0.00 -0.01 0.00 0.00 57.16 55.24 1u1i n GLU 361 Cb 0.02 -1.48 0.17 0.00 -1.01 0.00 0.00 31.44 29.14 1u1i n GLU 361 CO 0.00 0.00 0.00 -1.33 0.09 0.00 0.00 177.13 175.89 1u1i n MET 362 N 1.14 2.12 0.11 3.49 2.81 -1.09 -3.38 117.12 122.32 1u1i n MET 362 Ca 0.17 -3.36 0.05 0.00 -1.81 0.00 0.00 57.70 52.75 1u1i n MET 362 Cb 0.54 -1.90 0.49 0.00 -0.71 0.00 0.00 33.22 31.63 1u1i n MET 362 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1u1i h ALA 363 N 1.24 1.76 -0.20 3.04 0.00 -1.79 -3.03 119.26 120.27 1u1i h ALA 363 Ca 0.25 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.16 1u1i h ALA 363 Cb 1.53 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1u1i h ALA 363 CO 0.49 0.20 0.50 0.35 0.00 0.00 0.00 179.25 180.79 1u1i h PHE 364 N 0.31 0.00 0.00 0.00 3.04 -1.85 -0.87 116.94 117.57 1u1i h PHE 364 Ca 0.08 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.03 1u1i h PHE 364 Cb 0.05 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.56 1u1i h PHE 364 CO 0.00 0.00 -0.83 1.19 -2.02 0.00 0.00 178.31 176.65 1u1i n PHE 365 N -3.13 0.06 -4.32 0.41 3.72 -1.15 -4.90 117.46 108.15 1u1i n PHE 365 Ca 0.03 0.02 -0.17 0.00 -0.05 0.00 0.00 57.45 57.28 1u1i n PHE 365 Cb 0.60 -0.20 -0.10 0.00 -0.94 0.00 0.00 39.48 38.84 1u1i n PHE 365 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 1u1i s PHE 366 N -3.05 1.54 -0.04 1.38 0.40 -0.33 -0.80 117.98 117.07 1u1i s PHE 366 Ca 0.08 -0.92 -0.07 0.00 -0.60 0.00 0.00 56.93 55.42 1u1i s PHE 366 Cb 0.16 -0.89 -0.29 0.00 0.51 0.00 0.00 43.02 42.52 1u1i s PHE 366 CO 0.79 -0.05 0.71 0.87 0.70 0.00 0.00 175.22 178.24 1u1i h LYS 367 N 2.49 0.32 -2.62 0.44 1.57 -0.63 -3.40 116.57 114.75 1u1i h LYS 367 Ca -0.38 -0.55 -0.62 0.00 -1.87 0.00 0.00 60.65 57.23 1u1i h LYS 367 Cb 1.22 0.20 -0.41 0.00 0.08 0.00 0.00 32.23 33.32 1u1i h LYS 367 CO 0.64 1.21 -0.53 0.43 -0.57 0.00 0.00 179.45 180.64 1u1i n SER 368 N -3.51 3.57 -4.66 0.86 7.64 -1.13 -4.80 113.62 111.59 1u1i n SER 368 Ca -0.22 -3.34 -0.46 0.00 1.01 0.00 0.00 58.87 55.86 1u1i n SER 368 Cb 1.06 -0.74 -0.04 0.00 -1.01 0.00 0.00 64.21 63.48 1u1i n SER 368 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1u1i n PRO 369 N 1.36 2.34 -1.89 1.43 -0.04 -1.26 -3.90 135.00 133.04 1u1i n PRO 369 Ca 0.25 0.84 -0.41 0.00 -0.04 0.00 0.00 63.50 64.15 1u1i n PRO 369 Cb 0.38 -2.81 -0.01 0.00 -0.04 0.00 0.00 33.50 31.03 1u1i n PRO 369 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1u1i s MET 370 N 4.51 4.14 -1.38 0.54 -1.94 -1.08 -3.58 119.30 120.50 1u1i s MET 370 Ca 0.93 2.46 -0.00 0.00 -1.71 0.00 0.00 55.69 57.37 1u1i s MET 370 Cb -0.59 -2.96 -0.00 0.00 2.01 0.00 0.00 34.83 33.29 1u1i s MET 370 CO 0.47 -0.47 0.49 -0.25 -0.01 0.00 0.00 175.02 175.26 1u1i n ASP 371 N 0.48 -0.53 -3.67 3.03 9.92 -1.26 -4.57 116.55 119.96 1u1i n ASP 371 Ca 0.01 -0.95 -0.02 0.00 -0.53 0.00 0.00 54.79 53.30 1u1i n ASP 371 Cb 0.40 -3.34 -0.01 0.00 -0.64 0.00 0.00 41.12 37.53 1u1i n ASP 371 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1u1i s THR 372 N -3.88 0.00 -0.08 -3.53 -1.32 -1.24 -4.91 115.64 100.69 1u1i s THR 372 Ca 0.00 -0.38 0.11 0.00 -1.21 0.00 0.00 61.69 60.22 1u1i s THR 372 Cb -0.00 -1.86 0.17 0.00 -1.51 0.00 0.00 72.50 69.30 1u1i s THR 372 CO 0.87 0.00 1.07 0.59 -2.21 0.00 0.00 174.62 174.94 1u1i n ASN 373 N -0.44 1.50 -4.59 8.08 3.02 -1.26 -4.86 115.26 116.71 1u1i n ASN 373 Ca -0.07 -2.61 -0.43 0.00 -0.03 0.00 0.00 54.58 51.44 1u1i n ASN 373 Cb 0.62 -0.32 -0.03 0.00 -0.61 0.00 0.00 39.78 39.43 1u1i n ASN 373 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1u1i s VAL 374 N -1.75 4.46 0.00 2.41 1.01 -1.26 -4.80 120.40 120.47 1u1i s VAL 374 Ca 0.19 1.06 0.00 0.00 0.00 0.00 0.00 61.98 63.23 1u1i s VAL 374 Cb 0.16 -4.43 0.00 0.00 0.00 0.00 0.00 36.38 32.11 1u1i s VAL 374 CO 0.02 -0.74 0.00 -0.38 0.00 0.00 0.00 175.10 173.99 1u1i n ILE 375 N 6.32 0.00 -1.92 2.22 2.08 -1.26 -4.84 119.36 121.95 1u1i n ILE 375 Ca 0.08 -0.12 -0.42 0.00 0.56 0.00 0.00 62.75 62.85 1u1i n ILE 375 Cb 0.48 0.59 -0.03 0.00 -0.75 0.00 0.00 39.64 39.93 1u1i n ILE 375 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 1u1i s ASN 376 N -1.46 6.47 0.28 4.38 3.84 -1.26 -4.77 114.94 122.43 1u1i s ASN 376 Ca 0.00 2.19 0.02 0.00 0.21 0.00 0.00 52.86 55.28 1u1i s ASN 376 Cb 0.00 -2.53 0.59 0.00 -0.55 0.00 0.00 41.25 38.76 1u1i s ASN 376 CO 0.00 -1.09 1.80 0.74 -2.79 0.00 0.00 177.10 175.76 1u1i h THR 377 N 5.81 0.82 0.00 -5.21 2.02 -1.66 0.44 112.91 115.14 1u1i h THR 377 Ca -0.41 -0.29 -0.09 0.00 0.77 0.00 0.00 66.41 66.39 1u1i h THR 377 Cb 1.19 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1u1i h THR 377 CO 0.96 0.15 -0.45 -0.74 0.37 0.00 0.00 175.52 175.82 1u1i h HIS 378 N 0.85 0.00 0.28 3.16 -0.00 -1.91 -1.93 115.15 115.59 1u1i h HIS 378 Ca 0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.87 1u1i h HIS 378 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.05 1u1i h HIS 378 CO -0.02 0.45 -0.14 0.93 -0.00 0.00 0.00 177.93 179.15 1u1i h GLU 379 N 0.00 -0.37 0.00 5.26 5.08 -0.86 -1.68 114.58 122.01 1u1i h GLU 379 Ca -0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1u1i h GLU 379 Cb 1.20 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1u1i h GLU 379 CO 0.06 -0.10 0.00 1.04 -1.00 0.00 0.00 179.01 179.01 1u1i n GLN 380 N -5.16 0.12 -0.02 2.33 6.02 0.12 -2.01 117.38 118.77 1u1i n GLN 380 Ca -0.10 0.36 -0.10 0.00 -0.01 0.00 0.00 57.00 57.16 1u1i n GLN 380 Cb 0.23 -1.73 -0.14 0.00 1.02 0.00 0.00 30.24 29.62 1u1i n GLN 380 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1u1i n PHE 381 N -1.96 0.96 0.01 1.08 -0.00 -0.73 -2.82 117.46 113.99 1u1i n PHE 381 Ca 0.03 0.33 -0.13 0.00 -0.00 0.00 0.00 57.45 57.68 1u1i n PHE 381 Cb 0.21 -1.17 -0.10 0.00 -0.00 0.00 0.00 39.48 38.42 1u1i n PHE 381 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 1u1i h VAL 382 N 0.01 1.24 -0.70 -2.13 2.07 -0.91 -2.75 116.25 113.08 1u1i h VAL 382 Ca -0.32 -1.22 0.07 0.00 0.82 0.00 0.00 66.70 66.05 1u1i h VAL 382 Cb 2.03 2.01 -0.09 0.00 -1.52 0.00 0.00 31.29 33.72 1u1i h VAL 382 CO 0.08 0.29 -0.49 0.58 0.02 0.00 0.00 177.57 178.05 1u1i h VAL 383 N -0.65 0.00 0.00 2.57 2.07 -1.54 0.42 116.25 119.11 1u1i h VAL 383 Ca -0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1u1i h VAL 383 Cb 0.55 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1u1i h VAL 383 CO 0.01 0.00 -0.01 0.25 0.02 0.00 0.00 177.57 177.84 1u1i h LEU 384 N -0.10 0.00 0.03 2.57 5.85 -1.53 -0.03 115.31 122.10 1u1i h LEU 384 Ca 0.11 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.59 1u1i h LEU 384 Cb 0.39 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1u1i h LEU 384 CO -0.71 0.01 -1.22 0.11 -0.34 0.00 0.00 178.44 176.29 1u1i h LYS 385 N 0.00 0.06 -0.08 1.25 1.57 -0.00 -3.11 116.57 116.26 1u1i h LYS 385 Ca -0.00 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1u1i h LYS 385 Cb 0.07 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1u1i h LYS 385 CO 0.00 0.95 0.00 0.93 -0.57 0.00 0.00 179.45 180.76 1u1i h GLU 386 N 0.02 0.14 -0.74 3.15 5.08 0.77 -3.17 114.58 119.82 1u1i h GLU 386 Ca -0.10 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 1u1i h GLU 386 Cb 1.87 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 31.07 1u1i h GLU 386 CO 0.13 0.40 0.35 2.35 -1.00 0.00 0.00 179.01 181.24 1u1i h TRP 387 N -0.14 1.09 -0.05 4.33 7.01 -1.16 -1.15 115.95 125.88 1u1i h TRP 387 Ca 0.02 -0.06 -0.01 0.00 2.11 0.00 0.00 58.89 60.96 1u1i h TRP 387 Cb 0.34 -0.33 -0.00 0.00 -2.10 0.00 0.00 29.16 27.06 1u1i h TRP 387 CO 0.03 0.81 0.01 -0.92 -2.79 0.00 0.00 178.44 175.58 1u1i h TYR 388 N 1.05 0.09 -0.47 2.65 3.20 -1.62 -2.45 116.97 119.43 1u1i h TYR 388 Ca 0.25 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.19 1u1i h TYR 388 Cb 0.14 -0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.32 1u1i h TYR 388 CO 0.01 0.28 0.08 0.77 -1.64 0.00 0.00 178.16 177.66 1u1i h SER 389 N -0.14 -0.03 -0.63 -2.11 0.02 -1.45 1.46 113.55 110.66 1u1i h SER 389 Ca 0.02 0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 60.98 1u1i h SER 389 Cb 0.24 0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 1u1i h SER 389 CO 0.00 0.02 0.13 0.78 -1.14 0.00 0.00 176.83 176.61 1u1i h ASN 390 N 0.21 0.99 0.93 3.07 2.35 -1.22 -2.94 115.58 118.97 1u1i h ASN 390 Ca 0.23 -0.25 -0.20 0.00 -0.55 0.00 0.00 56.30 55.54 1u1i h ASN 390 Cb 0.31 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 1u1i h ASN 390 CO -0.32 0.98 -0.93 -0.07 -1.65 0.00 0.00 177.43 175.44 1u1i h LEU 391 N 0.95 0.00 0.00 1.61 3.38 -0.89 -3.51 115.31 116.85 1u1i h LEU 391 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1u1i h LEU 391 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1u1i h LEU 391 CO 0.01 0.93 0.00 1.17 0.09 0.00 0.00 178.44 180.64