#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iqw s MET 14 N 0.00 1.56 -0.30 -1.46 1.00 -1.12 -4.98 119.30 114.00 3iqw s MET 14 Ca 0.00 -0.51 -0.43 0.00 0.00 0.00 0.00 55.69 54.75 3iqw s MET 14 Cb 0.00 -1.37 -0.18 0.00 0.00 0.00 0.00 34.83 33.28 3iqw s MET 14 CO 0.00 0.19 1.54 0.39 0.00 0.00 0.00 175.02 177.14 3iqw n GLU 15 N 3.24 0.45 -0.86 2.03 4.71 -1.26 -4.56 120.64 124.38 3iqw n GLU 15 Ca -0.19 0.16 -0.18 0.00 -0.01 0.00 0.00 57.16 56.95 3iqw n GLU 15 Cb 0.53 -1.73 -0.08 0.00 -1.01 0.00 0.00 31.44 29.15 3iqw n GLU 15 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 3iqw n PRO 16 N 3.89 2.08 -3.85 3.49 -0.04 -1.26 -4.32 135.00 134.98 3iqw n PRO 16 Ca 0.27 -1.20 -0.09 0.00 -0.04 0.00 0.00 63.50 62.43 3iqw n PRO 16 Cb 0.04 -2.19 -0.05 0.00 -0.04 0.00 0.00 33.50 31.26 3iqw n PRO 16 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3iqw s THR 17 N 2.06 0.04 -0.57 0.52 -4.23 -1.26 -4.14 115.64 108.06 3iqw s THR 17 Ca 0.52 -1.09 0.12 0.00 -1.18 0.00 0.00 61.69 60.07 3iqw s THR 17 Cb 0.20 -1.73 0.66 0.00 1.34 0.00 0.00 72.50 72.97 3iqw s THR 17 CO -0.02 -0.20 1.52 0.18 -0.54 0.00 0.00 174.62 175.57 3iqw n LEU 18 N -0.29 4.73 -0.34 4.79 4.77 -0.12 -4.41 117.00 126.14 3iqw n LEU 18 Ca -0.08 -2.40 0.18 0.00 -0.03 0.00 0.00 56.01 53.68 3iqw n LEU 18 Cb 0.63 -0.63 0.39 0.00 -2.33 0.00 0.00 43.42 41.48 3iqw n LEU 18 CO 0.21 0.59 1.13 -0.61 -1.33 0.00 0.00 177.39 177.38 3iqw h GLN 19 N 3.33 0.47 -0.33 3.23 5.75 -1.82 -0.63 115.11 125.13 3iqw h GLN 19 Ca 0.00 -0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.43 3iqw h GLN 19 Cb 1.62 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 30.05 3iqw h GLN 19 CO 0.36 0.31 0.01 0.66 -2.65 0.00 0.00 178.83 177.52 3iqw h SER 20 N 0.49 0.46 -0.39 -0.69 4.64 -1.97 -0.15 113.55 115.94 3iqw h SER 20 Ca 0.65 -0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.86 3iqw h SER 20 Cb 1.30 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 3iqw h SER 20 CO -0.52 0.52 0.14 0.40 -0.87 0.00 0.00 176.83 176.51 3iqw h ILE 21 N 0.48 1.20 -0.82 0.95 1.08 -1.45 -0.37 117.51 118.58 3iqw h ILE 21 Ca 0.11 -0.65 0.09 0.00 -0.39 0.00 0.00 64.86 64.01 3iqw h ILE 21 Cb 0.30 0.90 -0.07 0.00 -3.07 0.00 0.00 36.82 34.88 3iqw h ILE 21 CO 0.01 0.23 0.47 -0.07 -0.69 0.00 0.00 178.15 178.10 3iqw h LEU 22 N 0.48 0.67 -0.42 1.44 4.07 -0.98 -3.10 115.31 117.47 3iqw h LEU 22 Ca 0.13 0.05 -0.10 0.00 0.08 0.00 0.00 57.88 58.04 3iqw h LEU 22 Cb 0.22 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 41.87 3iqw h LEU 22 CO -0.01 0.39 -0.47 0.44 -1.08 0.00 0.00 178.44 177.71 3iqw h ASP 23 N 0.79 0.00 -2.05 -0.43 3.32 -0.48 -3.40 116.42 114.17 3iqw h ASP 23 Ca 0.39 0.00 -0.71 0.00 0.02 0.00 0.00 57.03 56.73 3iqw h ASP 23 Cb 0.35 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.74 3iqw h ASP 23 CO -0.24 0.47 1.31 -1.58 -1.72 0.00 0.00 179.24 177.48 3iqw s GLN 24 N -3.23 3.93 0.37 3.56 0.74 -0.20 -4.86 119.66 119.96 3iqw s GLN 24 Ca 0.02 -2.24 0.27 0.00 0.05 0.00 0.00 55.36 53.47 3iqw s GLN 24 Cb 0.09 -5.09 1.16 0.00 1.10 0.00 0.00 33.01 30.28 3iqw s GLN 24 CO 0.72 -1.84 1.82 0.00 -0.55 0.00 0.00 175.29 175.44 3iqw h ARG 25 N 7.77 0.00 0.00 1.67 3.08 -1.82 -2.39 114.38 122.68 3iqw h ARG 25 Ca 0.28 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.29 3iqw h ARG 25 Cb 0.92 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 3iqw h ARG 25 CO 1.24 0.00 -0.20 0.77 -1.07 0.00 0.00 179.97 180.71 3iqw h SER 26 N 0.00 0.00 -1.96 7.04 0.02 -1.89 -3.44 113.55 113.32 3iqw h SER 26 Ca 0.00 0.00 -0.64 0.00 -0.84 0.00 0.00 61.79 60.31 3iqw h SER 26 Cb 0.38 0.00 0.05 0.00 0.14 0.00 0.00 62.40 62.97 3iqw h SER 26 CO 0.00 0.20 0.74 0.18 -1.14 0.00 0.00 176.83 176.80 3iqw n LEU 27 N -3.57 2.58 -0.01 5.07 4.77 -0.84 -4.47 117.00 120.53 3iqw n LEU 27 Ca -0.01 1.08 -0.01 0.00 -0.03 0.00 0.00 56.01 57.04 3iqw n LEU 27 Cb 0.34 -1.31 -0.01 0.00 -2.33 0.00 0.00 43.42 40.11 3iqw n LEU 27 CO 0.32 -0.53 -0.56 -1.14 -1.33 0.00 0.00 177.39 174.16 3iqw n ARG 28 N 3.80 2.12 -3.96 3.23 3.00 -0.42 -4.65 116.66 119.78 3iqw n ARG 28 Ca 0.19 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.74 3iqw n ARG 28 Cb 0.24 -1.04 -0.16 0.00 0.00 0.00 0.00 32.46 31.50 3iqw n ARG 28 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 3iqw s TRP 29 N -2.04 2.41 -0.33 -0.14 0.51 -0.11 -0.47 118.94 118.76 3iqw s TRP 29 Ca -0.02 -1.69 -0.06 0.00 -2.12 0.00 0.00 56.10 52.21 3iqw s TRP 29 Cb 0.01 -1.60 0.04 0.00 -0.81 0.00 0.00 33.47 31.10 3iqw s TRP 29 CO 0.06 -0.76 0.08 0.42 -0.51 0.00 0.00 176.95 176.24 3iqw s ILE 30 N 1.39 3.65 0.06 2.03 1.01 0.91 -2.53 121.20 127.73 3iqw s ILE 30 Ca -0.04 -1.14 -0.20 0.00 0.00 0.00 0.00 60.65 59.27 3iqw s ILE 30 Cb -0.18 -3.06 -0.06 0.00 0.01 0.00 0.00 42.46 39.17 3iqw s ILE 30 CO -0.07 -0.14 0.58 -0.36 0.00 0.00 0.00 174.94 174.95 3iqw s PHE 31 N 1.38 3.79 -0.17 3.97 0.08 -0.63 -0.71 117.98 125.69 3iqw s PHE 31 Ca -0.02 1.28 -0.01 0.00 0.12 0.00 0.00 56.93 58.30 3iqw s PHE 31 Cb -0.19 -2.53 -0.00 0.00 -0.57 0.00 0.00 43.02 39.72 3iqw s PHE 31 CO 0.02 0.53 -0.12 0.08 -0.10 0.00 0.00 175.22 175.63 3iqw s VAL 32 N -0.91 2.90 0.27 -0.44 1.01 -0.61 -0.48 120.40 122.15 3iqw s VAL 32 Ca 0.30 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.62 3iqw s VAL 32 Cb -0.19 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 3iqw s VAL 32 CO 0.19 0.49 0.13 -0.83 0.00 0.00 0.00 175.10 175.08 3iqw s GLY 33 N 0.94 1.85 0.00 4.51 0.00 -0.68 -3.68 107.32 110.26 3iqw s GLY 33 Ca -0.02 -1.80 0.00 0.00 0.00 0.00 0.00 44.72 42.90 3iqw s GLY 33 CO -0.01 -1.56 0.00 0.61 0.00 0.00 0.00 173.10 172.14 3iqw n GLY 34 N -0.49 3.62 3.44 0.20 0.00 -1.26 -0.73 105.19 109.96 3iqw n GLY 34 Ca 0.01 -1.30 -0.32 0.00 0.00 0.00 0.00 46.02 44.41 3iqw n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3iqw n LYS 35 N -1.58 -0.72 -1.76 1.61 5.02 -1.26 -4.45 118.16 115.01 3iqw n LYS 35 Ca 0.00 -0.17 -0.42 0.00 -2.02 0.00 0.00 58.31 55.70 3iqw n LYS 35 Cb 0.00 -1.94 -0.03 0.00 -0.02 0.00 0.00 35.03 33.04 3iqw n LYS 35 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3iqw s GLY 36 N -2.11 1.29 0.00 0.72 0.00 -1.26 -3.01 107.32 102.94 3iqw s GLY 36 Ca 0.59 1.52 0.00 0.00 0.00 0.00 0.00 44.72 46.84 3iqw s GLY 36 CO 0.66 2.88 0.00 0.61 0.00 0.00 0.00 173.10 177.24 3iqw n GLY 37 N 3.98 2.74 0.26 0.20 0.00 -1.26 -4.92 105.19 106.20 3iqw n GLY 37 Ca 0.16 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.35 3iqw n GLY 37 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3iqw h VAL 38 N 0.00 0.00 0.00 1.61 -1.51 -1.90 -3.45 116.25 111.00 3iqw h VAL 38 Ca 0.00 -0.30 0.00 0.00 -1.23 0.00 0.00 66.70 65.17 3iqw h VAL 38 Cb 0.00 1.22 0.00 0.00 -2.13 0.00 0.00 31.29 30.38 3iqw h VAL 38 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 3iqw n GLY 39 N -0.36 0.93 0.27 5.19 0.00 -1.26 -4.76 105.19 105.19 3iqw n GLY 39 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 3iqw n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iqw h LYS 40 N 0.00 -0.61 0.51 1.61 1.57 -1.89 -2.31 116.57 115.47 3iqw h LYS 40 Ca 0.00 0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3iqw h LYS 40 Cb 0.00 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3iqw h LYS 40 CO 0.00 -0.32 -0.37 1.15 -0.57 0.00 0.00 179.45 179.35 3iqw h THR 41 N -0.83 0.25 -0.98 -0.16 2.02 -1.97 0.89 112.91 112.14 3iqw h THR 41 Ca -0.06 0.00 0.33 0.00 0.77 0.00 0.00 66.41 67.45 3iqw h THR 41 Cb 0.57 0.25 -0.16 0.00 -1.74 0.00 0.00 68.15 67.07 3iqw h THR 41 CO 0.11 0.00 0.44 0.74 0.37 0.00 0.00 175.52 177.18 3iqw h THR 42 N -0.86 0.18 0.18 3.16 2.02 -1.94 0.27 112.91 115.93 3iqw h THR 42 Ca -0.06 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 3iqw h THR 42 Cb 0.72 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 3iqw h THR 42 CO 0.03 0.03 -0.09 0.74 0.37 0.00 0.00 175.52 176.60 3iqw h THR 43 N 0.17 0.78 -0.71 3.16 2.02 -0.73 -1.53 112.91 116.08 3iqw h THR 43 Ca 0.72 -1.09 0.12 0.00 0.77 0.00 0.00 66.41 66.94 3iqw h THR 43 Cb 1.69 1.31 -0.13 0.00 -1.74 0.00 0.00 68.15 69.28 3iqw h THR 43 CO -0.70 0.20 -0.32 0.28 0.37 0.00 0.00 175.52 175.35 3iqw h SER 44 N -0.88 -1.14 -0.01 4.18 0.02 0.13 0.90 113.55 116.75 3iqw h SER 44 Ca -0.02 0.25 0.03 0.00 -0.84 0.00 0.00 61.79 61.20 3iqw h SER 44 Cb 0.51 0.60 -0.05 0.00 0.14 0.00 0.00 62.40 63.60 3iqw h SER 44 CO 0.04 -0.29 -0.26 0.00 -1.14 0.00 0.00 176.83 175.18 3iqw h SER 46 N -0.39 -0.96 -0.67 0.00 0.02 0.41 -1.63 113.55 110.32 3iqw h SER 46 Ca 0.07 0.14 0.10 0.00 -0.84 0.00 0.00 61.79 61.25 3iqw h SER 46 Cb 0.48 0.40 -0.07 0.00 0.14 0.00 0.00 62.40 63.35 3iqw h SER 46 CO -0.23 -0.36 0.30 0.25 -1.14 0.00 0.00 176.83 175.64 3iqw h LEU 47 N -0.42 0.35 -0.75 5.07 5.85 0.11 -1.14 115.31 124.37 3iqw h LEU 47 Ca 0.08 0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.78 3iqw h LEU 47 Cb 0.54 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 3iqw h LEU 47 CO -0.31 0.20 -0.10 0.00 -0.34 0.00 0.00 178.44 177.88 3iqw h ALA 48 N 1.44 0.94 -0.79 1.25 0.00 -0.67 -0.27 119.26 121.16 3iqw h ALA 48 Ca 0.34 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.97 3iqw h ALA 48 Cb 0.40 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 3iqw h ALA 48 CO -0.30 0.62 0.49 0.82 0.00 0.00 0.00 179.25 180.89 3iqw h ILE 49 N 0.76 1.08 -0.33 0.00 2.04 -0.35 0.56 117.51 121.27 3iqw h ILE 49 Ca 0.13 -0.32 -0.08 0.00 1.00 0.00 0.00 64.86 65.59 3iqw h ILE 49 Cb 0.61 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 3iqw h ILE 49 CO 0.04 0.17 -0.10 -0.61 0.00 0.00 0.00 178.15 177.65 3iqw h GLN 50 N 0.94 0.65 -0.30 2.37 5.75 -0.47 -3.13 115.11 120.92 3iqw h GLN 50 Ca 0.33 -0.26 -0.04 0.00 -0.15 0.00 0.00 58.65 58.52 3iqw h GLN 50 Cb 0.07 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 3iqw h GLN 50 CO -0.13 0.84 0.01 -0.07 -2.65 0.00 0.00 178.83 176.82 3iqw h LEU 51 N 0.43 0.50 -1.32 -2.39 3.38 -0.65 -1.97 115.31 113.30 3iqw h LEU 51 Ca 0.08 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3iqw h LEU 51 Cb 0.61 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3iqw h LEU 51 CO 0.04 0.68 0.27 0.00 0.09 0.00 0.00 178.44 179.52 3iqw h ALA 52 N 0.84 1.21 0.00 1.53 0.00 0.10 0.37 119.26 123.32 3iqw h ALA 52 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3iqw h ALA 52 Cb 0.41 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3iqw h ALA 52 CO 0.01 -0.21 -0.25 -0.22 0.00 0.00 0.00 179.25 178.57 3iqw h LYS 53 N 0.00 0.00 -0.23 0.00 3.64 -1.30 -3.36 116.57 115.33 3iqw h LYS 53 Ca 0.00 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.17 3iqw h LYS 53 Cb 0.54 0.00 -0.38 0.00 -0.41 0.00 0.00 32.23 31.98 3iqw h LYS 53 CO 0.00 0.03 -1.05 1.33 -2.27 0.00 0.00 179.45 177.49 3iqw n VAL 54 N -3.01 0.76 -4.12 2.00 0.24 0.12 -5.06 118.33 109.25 3iqw n VAL 54 Ca 0.03 -2.09 -0.10 0.00 -2.04 0.00 0.00 64.34 60.14 3iqw n VAL 54 Cb 0.55 1.01 -0.09 0.00 -1.47 0.00 0.00 33.84 33.84 3iqw n VAL 54 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3iqw s ARG 55 N -2.01 1.07 0.24 7.34 1.81 -0.73 -5.04 118.95 121.64 3iqw s ARG 55 Ca 0.32 -1.44 -0.02 0.00 -1.72 0.00 0.00 55.73 52.86 3iqw s ARG 55 Cb 0.36 0.28 0.27 0.00 -0.45 0.00 0.00 34.95 35.42 3iqw s ARG 55 CO -0.10 -0.34 1.69 -0.09 -0.68 0.00 0.00 175.30 175.77 3iqw h ARG 56 N 2.71 0.72 -1.72 3.54 2.43 -1.90 -3.47 114.38 116.70 3iqw h ARG 56 Ca -0.34 -0.26 0.14 0.00 -0.81 0.00 0.00 59.98 58.71 3iqw h ARG 56 Cb 1.22 -0.05 -0.20 0.00 -0.42 0.00 0.00 29.97 30.52 3iqw h ARG 56 CO 0.54 0.84 0.62 -1.54 -1.51 0.00 0.00 179.97 178.92 3iqw s SER 57 N -6.73 -0.29 -0.04 -3.80 1.04 -1.26 -4.91 113.70 97.71 3iqw s SER 57 Ca -0.09 0.17 -0.02 0.00 0.48 0.00 0.00 55.95 56.48 3iqw s SER 57 Cb 0.14 0.27 0.02 0.00 0.10 0.00 0.00 66.02 66.55 3iqw s SER 57 CO 0.82 -0.38 0.09 -0.69 0.98 0.00 0.00 173.24 174.06 3iqw s VAL 58 N -1.99 -0.02 -0.11 5.02 1.01 -0.92 -2.51 120.40 120.87 3iqw s VAL 58 Ca 0.03 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 3iqw s VAL 58 Cb -0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 36.38 36.19 3iqw s VAL 58 CO -0.04 0.03 -0.06 -0.22 0.00 0.00 0.00 175.10 174.82 3iqw s LEU 59 N 0.51 3.18 -0.30 3.92 2.96 -0.40 -0.84 118.68 127.71 3iqw s LEU 59 Ca -0.04 -0.09 -0.05 0.00 -0.22 0.00 0.00 54.13 53.74 3iqw s LEU 59 Cb -0.05 -1.73 0.03 0.00 0.50 0.00 0.00 46.19 44.94 3iqw s LEU 59 CO -0.02 0.26 0.05 -0.22 -1.32 0.00 0.00 176.35 175.11 3iqw s LEU 60 N -0.22 3.93 -0.20 -0.68 2.96 0.16 -1.24 118.68 123.39 3iqw s LEU 60 Ca 0.03 -1.00 0.00 0.00 -0.22 0.00 0.00 54.13 52.94 3iqw s LEU 60 Cb -0.13 -1.81 0.02 0.00 0.50 0.00 0.00 46.19 44.77 3iqw s LEU 60 CO 0.03 -0.25 -0.16 -0.22 -1.32 0.00 0.00 176.35 174.43 3iqw s LEU 61 N 1.39 2.43 -0.12 -0.68 0.20 -0.68 -1.11 118.68 120.11 3iqw s LEU 61 Ca -0.01 -0.70 -0.01 0.00 0.69 0.00 0.00 54.13 54.10 3iqw s LEU 61 Cb -0.18 -1.54 -0.03 0.00 -0.43 0.00 0.00 46.19 44.01 3iqw s LEU 61 CO 0.01 -0.03 -0.06 -0.55 -0.29 0.00 0.00 176.35 175.43 3iqw s SER 62 N 1.30 4.66 -0.00 3.68 0.15 -0.59 -1.25 113.70 121.66 3iqw s SER 62 Ca 0.04 -0.10 0.15 0.00 0.70 0.00 0.00 55.95 56.73 3iqw s SER 62 Cb -0.14 -1.52 -0.16 0.00 -1.71 0.00 0.00 66.02 62.49 3iqw s SER 62 CO -0.10 0.25 0.60 0.41 1.20 0.00 0.00 173.24 175.60 3iqw n THR 63 N 2.98 0.00 -1.60 6.45 -1.04 -0.97 -2.22 114.28 117.88 3iqw n THR 63 Ca -0.18 -0.17 -0.61 0.00 -2.04 0.00 0.00 64.05 61.05 3iqw n THR 63 Cb 0.53 0.95 -0.08 0.00 -1.82 0.00 0.00 70.33 69.90 3iqw n THR 63 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3iqw n ASP 64 N -1.39 0.69 -0.32 8.00 2.03 -1.26 -4.78 116.55 119.52 3iqw n ASP 64 Ca 0.02 1.16 0.20 0.00 0.52 0.00 0.00 54.79 56.69 3iqw n ASP 64 Cb 0.24 -0.94 0.40 0.00 -0.72 0.00 0.00 41.12 40.10 3iqw n ASP 64 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3iqw h PRO 65 N 4.06 0.19 -6.82 -0.67 0.11 -1.94 -3.35 132.00 123.57 3iqw h PRO 65 Ca -0.48 -0.01 -0.48 0.00 0.11 0.00 0.00 66.00 65.14 3iqw h PRO 65 Cb 1.39 -0.04 0.03 0.00 0.11 0.00 0.00 31.00 32.49 3iqw h PRO 65 CO 0.79 0.12 0.00 0.00 -0.21 0.00 0.00 178.00 178.71 3iqw s ALA 66 N -5.79 3.55 -0.04 -0.75 0.00 -1.26 -5.00 121.76 112.47 3iqw s ALA 66 Ca -0.11 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.08 3iqw s ALA 66 Cb 0.29 -2.36 0.02 0.00 0.00 0.00 0.00 23.12 21.06 3iqw s ALA 66 CO 0.78 -0.38 -0.06 -1.01 0.00 0.00 0.00 175.76 175.09 3iqw s HIS 67 N -2.65 0.81 -2.72 0.00 0.09 -1.26 -4.93 115.29 104.64 3iqw s HIS 67 Ca 0.47 -0.23 0.24 0.00 -0.00 0.00 0.00 55.06 55.54 3iqw s HIS 67 Cb -0.10 -0.67 0.33 0.00 -0.00 0.00 0.00 32.58 32.13 3iqw s HIS 67 CO 0.41 -0.17 1.34 0.09 -0.00 0.00 0.00 174.74 176.41 3iqw n ASN 68 N 3.83 3.27 -0.09 1.40 5.03 -1.26 -4.15 115.26 123.30 3iqw n ASN 68 Ca -0.24 -2.00 -0.10 0.00 0.87 0.00 0.00 54.58 53.12 3iqw n ASN 68 Cb 0.52 -0.14 -0.03 0.00 -1.02 0.00 0.00 39.78 39.11 3iqw n ASN 68 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 3iqw h LEU 69 N 4.60 0.38 -0.42 3.41 5.85 -1.96 0.14 115.31 127.31 3iqw h LEU 69 Ca 0.00 -0.17 -0.09 0.00 0.84 0.00 0.00 57.88 58.46 3iqw h LEU 69 Cb 1.00 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 3iqw h LEU 69 CO 0.00 0.45 -0.10 0.28 -0.34 0.00 0.00 178.44 178.73 3iqw h SER 70 N 0.29 0.80 -0.33 1.25 0.02 -1.73 -2.51 113.55 111.35 3iqw h SER 70 Ca 0.09 -0.36 -0.01 0.00 -0.84 0.00 0.00 61.79 60.67 3iqw h SER 70 Cb 0.19 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 3iqw h SER 70 CO -0.01 0.98 0.17 0.44 -1.14 0.00 0.00 176.83 177.27 3iqw h ASP 71 N 0.62 0.45 -0.08 3.07 3.32 -1.70 0.42 116.42 122.52 3iqw h ASP 71 Ca 0.11 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 3iqw h ASP 71 Cb 0.62 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 3iqw h ASP 71 CO 0.04 0.39 -0.14 0.00 -1.72 0.00 0.00 179.24 177.81 3iqw h ALA 72 N 1.68 1.29 -0.08 3.45 0.00 -0.28 -3.18 119.26 122.14 3iqw h ALA 72 Ca 0.13 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3iqw h ALA 72 Cb 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3iqw h ALA 72 CO -0.02 0.47 0.00 1.19 0.00 0.00 0.00 179.25 180.89 3iqw n PHE 73 N -4.21 0.11 -4.07 0.00 3.72 -0.76 -1.18 117.46 111.07 3iqw n PHE 73 Ca 0.00 -0.35 -0.40 0.00 -0.05 0.00 0.00 57.45 56.65 3iqw n PHE 73 Cb 0.32 -0.03 -0.01 0.00 -0.94 0.00 0.00 39.48 38.82 3iqw n PHE 73 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3iqw n SER 74 N -0.06 -2.83 -3.70 4.37 7.64 0.14 -4.73 113.62 114.46 3iqw n SER 74 Ca 0.03 -1.24 -0.12 0.00 1.01 0.00 0.00 58.87 58.55 3iqw n SER 74 Cb 0.24 -1.98 -0.09 0.00 -1.01 0.00 0.00 64.21 61.37 3iqw n SER 74 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 3iqw s GLN 75 N -7.18 0.56 -0.13 1.43 0.74 -0.89 -5.05 119.66 109.15 3iqw s GLN 75 Ca 0.34 0.76 -0.29 0.00 0.05 0.00 0.00 55.36 56.22 3iqw s GLN 75 Cb -0.18 0.22 -0.02 0.00 1.10 0.00 0.00 33.01 34.13 3iqw s GLN 75 CO 0.96 -0.09 1.31 0.21 -0.55 0.00 0.00 175.29 177.13 3iqw s LYS 76 N 0.59 4.25 0.45 1.67 2.47 -1.26 -4.21 119.74 123.69 3iqw s LYS 76 Ca -0.03 1.75 0.06 0.00 -1.56 0.00 0.00 55.97 56.20 3iqw s LYS 76 Cb -0.05 -3.75 -0.03 0.00 -1.46 0.00 0.00 37.83 32.55 3iqw s LYS 76 CO -0.04 -0.68 0.24 -0.06 0.16 0.00 0.00 175.35 174.97 3iqw s PHE 77 N 3.31 2.36 0.05 4.03 0.08 -1.26 -5.04 117.98 121.51 3iqw s PHE 77 Ca 0.58 -0.66 -0.02 0.00 0.12 0.00 0.00 56.93 56.95 3iqw s PHE 77 Cb -0.24 -1.95 0.01 0.00 -0.57 0.00 0.00 43.02 40.26 3iqw s PHE 77 CO 0.18 0.02 0.11 0.41 -0.10 0.00 0.00 175.22 175.84 3iqw n GLY 78 N -1.39 1.88 0.00 4.36 0.00 -1.26 -4.76 105.19 104.02 3iqw n GLY 78 Ca -0.02 -1.05 0.11 0.00 0.00 0.00 0.00 46.02 45.06 3iqw n GLY 78 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3iqw n LYS 79 N -0.07 0.48 -3.75 1.61 -0.00 -1.02 0.62 118.16 116.03 3iqw n LYS 79 Ca -0.01 0.05 -0.37 0.00 -0.00 0.00 0.00 58.31 57.98 3iqw n LYS 79 Cb 0.08 -1.50 -0.13 0.00 -0.00 0.00 0.00 35.03 33.49 3iqw n LYS 79 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 3iqw s GLU 80 N -2.34 3.46 0.63 -1.58 2.56 -1.26 -4.85 118.70 115.33 3iqw s GLU 80 Ca 0.27 -0.61 -0.19 0.00 0.00 0.00 0.00 54.97 54.44 3iqw s GLU 80 Cb 0.15 -3.35 -0.02 0.00 2.00 0.00 0.00 34.13 32.91 3iqw s GLU 80 CO 0.31 -0.28 1.30 0.00 -0.56 0.00 0.00 175.26 176.02 3iqw n ALA 81 N 4.91 1.20 -3.15 6.30 0.00 -1.26 -4.76 120.51 123.75 3iqw n ALA 81 Ca -0.16 0.02 -0.09 0.00 0.00 0.00 0.00 53.44 53.22 3iqw n ALA 81 Cb 0.50 -2.32 -0.05 0.00 0.00 0.00 0.00 19.45 17.58 3iqw n ALA 81 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3iqw s ARG 82 N -3.26 1.42 0.07 0.00 1.70 -1.08 -4.94 118.95 112.85 3iqw s ARG 82 Ca 0.81 -1.10 -0.30 0.00 -0.47 0.00 0.00 55.73 54.66 3iqw s ARG 82 Cb -0.39 0.47 -0.05 0.00 -0.57 0.00 0.00 34.95 34.41 3iqw s ARG 82 CO 0.42 -0.58 1.11 -1.17 -1.08 0.00 0.00 175.30 173.99 3iqw s LEU 83 N -2.96 4.40 -0.06 -1.89 2.96 -1.26 -1.19 118.68 118.68 3iqw s LEU 83 Ca 0.17 1.92 -0.30 0.00 -0.22 0.00 0.00 54.13 55.69 3iqw s LEU 83 Cb -0.00 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.07 3iqw s LEU 83 CO 0.03 -0.35 1.31 -0.69 -1.32 0.00 0.00 176.35 175.34 3iqw s VAL 84 N 0.76 4.02 0.04 1.68 1.01 0.14 -4.91 120.40 123.13 3iqw s VAL 84 Ca 0.55 1.34 -0.36 0.00 0.00 0.00 0.00 61.98 63.51 3iqw s VAL 84 Cb -0.27 -3.86 -0.15 0.00 0.00 0.00 0.00 36.38 32.10 3iqw s VAL 84 CO 0.30 -0.03 1.57 -0.62 0.00 0.00 0.00 175.10 176.31 3iqw n GLU 85 N 5.65 1.67 0.00 2.72 -0.58 -1.26 -1.44 120.64 127.40 3iqw n GLU 85 Ca 0.13 0.61 0.00 0.00 -0.42 0.00 0.00 57.16 57.47 3iqw n GLU 85 Cb 0.45 -2.33 0.00 0.00 -0.57 0.00 0.00 31.44 28.99 3iqw n GLU 85 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3iqw n GLY 86 N 3.37 0.45 3.28 0.62 0.00 -1.26 -4.95 105.19 106.70 3iqw n GLY 86 Ca 0.20 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 3iqw n GLY 86 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iqw s PHE 87 N -2.00 1.39 -0.01 1.61 0.08 -0.52 -5.03 117.98 113.50 3iqw s PHE 87 Ca 0.00 -0.70 0.01 0.00 0.12 0.00 0.00 56.93 56.36 3iqw s PHE 87 Cb 0.00 -0.69 0.02 0.00 -0.57 0.00 0.00 43.02 41.78 3iqw s PHE 87 CO 0.00 0.16 0.91 -0.40 -0.10 0.00 0.00 175.22 175.79 3iqw n ASP 88 N -0.23 1.59 0.00 1.36 3.85 -1.26 -4.62 116.55 117.23 3iqw n ASP 88 Ca -0.10 -1.87 0.00 0.00 -0.71 0.00 0.00 54.79 52.12 3iqw n ASP 88 Cb 0.60 -0.03 0.00 0.00 -1.35 0.00 0.00 41.12 40.34 3iqw n ASP 88 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 3iqw n ASN 89 N -0.45 2.75 -4.59 -1.12 4.05 -1.26 -5.06 115.26 109.58 3iqw n ASN 89 Ca 0.01 0.00 -0.34 0.00 0.45 0.00 0.00 54.58 54.70 3iqw n ASN 89 Cb 0.33 0.51 -0.11 0.00 1.23 0.00 0.00 39.78 41.74 3iqw n ASN 89 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 3iqw s LEU 90 N -1.80 3.30 0.14 1.20 2.96 -1.26 -2.17 118.68 121.04 3iqw s LEU 90 Ca 0.00 -0.00 0.05 0.00 -0.22 0.00 0.00 54.13 53.96 3iqw s LEU 90 Cb 0.00 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 3iqw s LEU 90 CO 0.00 0.32 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.92 3iqw s TYR 91 N -0.56 1.36 -0.02 5.38 2.02 -0.02 -0.69 117.35 124.83 3iqw s TYR 91 Ca 0.09 -0.63 -0.04 0.00 -0.37 0.00 0.00 57.07 56.12 3iqw s TYR 91 Cb -0.12 -0.70 0.00 0.00 -0.40 0.00 0.00 41.96 40.75 3iqw s TYR 91 CO 0.02 0.14 0.08 0.00 -1.57 0.00 0.00 175.55 174.22 3iqw s ALA 92 N -2.68 -0.19 0.05 3.71 0.00 -0.33 0.39 121.76 122.71 3iqw s ALA 92 Ca 0.13 0.03 -0.00 0.00 0.00 0.00 0.00 51.96 52.12 3iqw s ALA 92 Cb -0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 3iqw s ALA 92 CO 0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 175.76 175.65 3iqw s MET 93 N -0.51 0.56 -0.14 0.00 0.23 -0.27 -2.63 119.30 116.55 3iqw s MET 93 Ca -0.06 -1.05 -0.00 0.00 -1.03 0.00 0.00 55.69 53.55 3iqw s MET 93 Cb -0.04 0.08 0.03 0.00 -1.53 0.00 0.00 34.83 33.37 3iqw s MET 93 CO 0.00 -0.07 -0.10 -1.21 -2.03 0.00 0.00 175.02 171.61 3iqw s GLU 94 N -3.10 1.88 0.48 3.16 2.02 0.20 -1.54 118.70 121.81 3iqw s GLU 94 Ca 0.01 -0.46 0.02 0.00 0.02 0.00 0.00 54.97 54.56 3iqw s GLU 94 Cb 0.02 -1.92 -0.01 0.00 0.10 0.00 0.00 34.13 32.31 3iqw s GLU 94 CO -0.06 -0.29 0.06 0.96 0.02 0.00 0.00 175.26 175.95 3iqw s ILE 95 N 1.58 0.85 -0.31 -1.63 -4.36 -0.94 -2.45 121.20 113.94 3iqw s ILE 95 Ca 0.04 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.41 3iqw s ILE 95 Cb -0.13 -2.17 0.11 0.00 1.25 0.00 0.00 42.46 41.52 3iqw s ILE 95 CO -0.09 0.00 0.13 -1.81 0.24 0.00 0.00 174.94 173.41 3iqw s ASP 96 N -3.78 3.66 0.00 4.36 1.01 -1.26 -4.61 116.67 116.05 3iqw s ASP 96 Ca 0.11 -1.54 0.00 0.00 0.71 0.00 0.00 52.55 51.82 3iqw s ASP 96 Cb 0.01 -0.56 0.00 0.00 1.01 0.00 0.00 42.92 43.38 3iqw s ASP 96 CO 0.07 -0.41 0.00 -2.65 0.21 0.00 0.00 175.17 172.39 3iqw n PRO 97 N 4.94 0.00 0.00 8.23 -0.01 -1.26 -5.08 135.00 141.81 3iqw n PRO 97 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.47 3iqw n PRO 97 Cb 0.41 0.00 0.00 0.00 -0.01 0.00 0.00 33.50 33.90 3iqw n PRO 97 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 175.50 174.60 3iqw n ILE 132 N 0.00 0.00 -1.67 4.25 -0.00 -1.26 -4.71 119.36 115.97 3iqw n ILE 132 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 3iqw n ILE 132 Cb 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 39.64 39.51 3iqw n ILE 132 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 3iqw n ASP 133 N -0.06 0.00 -0.21 4.38 2.03 -1.26 -4.80 116.55 116.63 3iqw n ASP 133 Ca 0.00 -1.00 0.00 0.00 0.52 0.00 0.00 54.79 54.31 3iqw n ASP 133 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 3iqw n ASP 133 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3iqw n GLU 134 N 0.00 0.75 0.00 -0.67 4.71 -1.26 -3.12 120.64 121.05 3iqw n GLU 134 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 3iqw n GLU 134 Cb 0.49 -1.16 0.00 0.00 -1.01 0.00 0.00 31.44 29.76 3iqw n GLU 134 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3iqw n ALA 135 N -0.24 0.37 -0.05 0.62 0.00 -1.26 -4.53 120.51 115.42 3iqw n ALA 135 Ca 0.00 -0.06 -0.12 0.00 0.00 0.00 0.00 53.44 53.26 3iqw n ALA 135 Cb 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.46 3iqw n ALA 135 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3iqw h MET 136 N 0.00 0.26 -0.97 0.00 1.85 -1.87 -2.66 114.93 111.53 3iqw h MET 136 Ca 0.00 -0.10 0.05 0.00 -0.61 0.00 0.00 59.70 59.04 3iqw h MET 136 Cb 0.35 -0.01 -0.06 0.00 0.43 0.00 0.00 31.60 32.31 3iqw h MET 136 CO 0.00 0.56 0.63 0.77 -0.40 0.00 0.00 176.91 178.47 3iqw h SER 137 N -0.06 1.04 -1.00 1.39 0.02 -1.84 -1.90 113.55 111.20 3iqw h SER 137 Ca 0.03 -0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.01 3iqw h SER 137 Cb 0.46 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 62.72 3iqw h SER 137 CO 0.01 0.70 0.65 0.15 -1.14 0.00 0.00 176.83 177.21 3iqw h PHE 138 N 1.20 1.23 -0.57 3.45 3.57 -1.78 -2.62 116.94 121.41 3iqw h PHE 138 Ca 0.40 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.87 3iqw h PHE 138 Cb 0.06 -0.41 -0.03 0.00 2.79 0.00 0.00 35.95 38.36 3iqw h PHE 138 CO -0.01 0.72 0.12 0.00 -2.23 0.00 0.00 178.31 176.92 3iqw h ALA 139 N 1.40 1.14 -0.26 2.41 0.00 -0.99 -3.08 119.26 119.89 3iqw h ALA 139 Ca 0.39 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3iqw h ALA 139 Cb -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3iqw h ALA 139 CO -0.12 0.58 0.06 0.93 0.00 0.00 0.00 179.25 180.69 3iqw h GLU 140 N 0.85 0.42 -0.74 0.00 4.39 -1.11 -2.37 114.58 116.02 3iqw h GLU 140 Ca 0.18 -0.10 0.11 0.00 0.34 0.00 0.00 59.36 59.89 3iqw h GLU 140 Cb 0.33 -0.05 -0.13 0.00 -0.10 0.00 0.00 28.75 28.80 3iqw h GLU 140 CO 0.00 0.52 -0.41 -0.24 -1.16 0.00 0.00 179.01 177.73 3iqw h VAL 141 N 0.24 0.08 0.05 3.13 3.04 -1.42 0.14 116.25 121.50 3iqw h VAL 141 Ca 0.08 0.00 0.02 0.00 -1.01 0.00 0.00 66.70 65.79 3iqw h VAL 141 Cb 0.30 0.08 -0.04 0.00 -2.01 0.00 0.00 31.29 29.62 3iqw h VAL 141 CO 0.00 0.00 -0.22 -0.07 -1.01 0.00 0.00 177.57 176.27 3iqw h LEU 142 N -0.13 -0.64 0.09 3.16 3.38 -1.47 0.94 115.31 120.65 3iqw h LEU 142 Ca 0.24 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.32 3iqw h LEU 142 Cb 0.56 0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 3iqw h LEU 142 CO -0.79 -0.30 -0.29 0.50 0.09 0.00 0.00 178.44 177.65 3iqw h LYS 143 N -0.38 -0.48 -0.10 1.13 3.64 -0.81 1.97 116.57 121.54 3iqw h LYS 143 Ca 0.05 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.49 3iqw h LYS 143 Cb 0.43 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 3iqw h LYS 143 CO -0.17 -0.32 -0.08 -0.56 -2.27 0.00 0.00 179.45 176.06 3iqw h GLN 144 N -0.49 -0.08 -0.19 1.90 3.07 -0.31 -1.85 115.11 117.15 3iqw h GLN 144 Ca 0.04 0.01 -0.03 0.00 0.09 0.00 0.00 58.65 58.76 3iqw h GLN 144 Cb 0.54 0.02 -0.01 0.00 0.08 0.00 0.00 27.48 28.10 3iqw h GLN 144 CO -0.19 -0.06 -0.00 0.28 0.09 0.00 0.00 178.83 178.96 3iqw h VAL 145 N -0.09 1.12 0.00 1.86 2.07 0.20 -0.72 116.25 120.70 3iqw h VAL 145 Ca 0.07 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.11 3iqw h VAL 145 Cb 0.18 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3iqw h VAL 145 CO -0.15 0.16 0.00 -1.13 0.02 0.00 0.00 177.57 176.47 3iqw h ASN 146 N 0.27 0.00 0.99 0.57 -1.24 0.39 -1.30 115.58 115.26 3iqw h ASN 146 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.07 3iqw h ASN 146 Cb 0.19 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.24 3iqw h ASN 146 CO 0.00 0.00 -0.04 -1.54 -1.29 0.00 0.00 177.43 174.57 3iqw n SER 147 N -3.00 0.09 -4.80 1.15 3.41 -0.28 -4.86 113.62 105.33 3iqw n SER 147 Ca 0.00 0.45 -0.30 0.00 -0.26 0.00 0.00 58.87 58.76 3iqw n SER 147 Cb 0.27 -0.46 0.08 0.00 -0.26 0.00 0.00 64.21 63.84 3iqw n SER 147 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3iqw s LEU 148 N -3.09 2.82 -0.14 1.04 2.01 -0.49 -4.97 118.68 115.85 3iqw s LEU 148 Ca 0.14 1.48 0.07 0.00 0.01 0.00 0.00 54.13 55.83 3iqw s LEU 148 Cb 0.18 -4.19 0.45 0.00 0.01 0.00 0.00 46.19 42.64 3iqw s LEU 148 CO 0.55 -1.82 1.21 -1.54 1.01 0.00 0.00 176.35 175.76 3iqw n SER 149 N -3.36 3.61 -4.70 2.29 3.41 -1.26 -4.90 113.62 108.71 3iqw n SER 149 Ca 0.07 -2.54 -0.42 0.00 -0.26 0.00 0.00 58.87 55.72 3iqw n SER 149 Cb 0.55 -0.61 -0.03 0.00 -0.26 0.00 0.00 64.21 63.86 3iqw n SER 149 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3iqw s TYR 150 N -1.96 3.40 0.20 7.33 1.51 -1.26 -4.92 117.35 121.64 3iqw s TYR 150 Ca 0.30 1.35 -0.08 0.00 -1.01 0.00 0.00 57.07 57.63 3iqw s TYR 150 Cb 0.23 -3.37 0.13 0.00 -0.11 0.00 0.00 41.96 38.85 3iqw s TYR 150 CO 0.09 -1.06 1.69 1.49 -1.11 0.00 0.00 175.55 176.65 3iqw h GLU 151 N 7.00 1.07 -4.17 -0.62 4.81 -1.84 -3.44 114.58 117.39 3iqw h GLU 151 Ca -0.39 -0.30 -0.26 0.00 -0.13 0.00 0.00 59.36 58.29 3iqw h GLU 151 Cb 1.20 -0.12 -0.25 0.00 0.63 0.00 0.00 28.75 30.21 3iqw h GLU 151 CO 0.82 1.00 -0.73 0.99 -0.73 0.00 0.00 179.01 180.36 3iqw s THR 152 N -5.14 0.29 -0.11 0.32 2.01 -1.14 -4.59 115.64 107.27 3iqw s THR 152 Ca -0.12 -0.53 0.02 0.00 0.31 0.00 0.00 61.69 61.38 3iqw s THR 152 Cb 0.14 -0.32 0.01 0.00 0.01 0.00 0.00 72.50 72.35 3iqw s THR 152 CO 0.85 -0.16 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.80 3iqw s ILE 153 N -0.68 1.70 -0.33 1.82 1.01 0.37 -1.27 121.20 123.83 3iqw s ILE 153 Ca -0.05 -0.78 -0.06 0.00 0.00 0.00 0.00 60.65 59.76 3iqw s ILE 153 Cb -0.05 -1.52 0.04 0.00 0.01 0.00 0.00 42.46 40.93 3iqw s ILE 153 CO -0.00 0.48 0.08 -0.69 0.00 0.00 0.00 174.94 174.81 3iqw s VAL 154 N 0.80 3.68 -0.08 2.92 1.01 -0.38 -0.06 120.40 128.29 3iqw s VAL 154 Ca -0.10 -1.11 -0.19 0.00 0.00 0.00 0.00 61.98 60.58 3iqw s VAL 154 Cb -0.16 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 3iqw s VAL 154 CO 0.01 -0.13 0.52 -0.36 0.00 0.00 0.00 175.10 175.13 3iqw s PHE 155 N 1.39 3.57 -0.23 5.22 0.08 0.11 -1.69 117.98 126.43 3iqw s PHE 155 Ca -0.02 1.00 -0.06 0.00 0.12 0.00 0.00 56.93 57.97 3iqw s PHE 155 Cb -0.19 -2.57 -0.02 0.00 -0.57 0.00 0.00 43.02 39.66 3iqw s PHE 155 CO 0.02 0.23 0.03 0.34 -0.10 0.00 0.00 175.22 175.74 3iqw s ASP 156 N 0.36 4.89 0.06 1.36 3.68 -0.38 -1.57 116.67 125.07 3iqw s ASP 156 Ca 0.28 -0.24 0.02 0.00 2.13 0.00 0.00 52.55 54.74 3iqw s ASP 156 Cb -0.16 -1.86 -0.03 0.00 -1.45 0.00 0.00 42.92 39.42 3iqw s ASP 156 CO 0.13 -0.00 -0.07 -0.89 0.13 0.00 0.00 175.17 174.46 3iqw s THR 157 N 1.41 0.58 0.26 1.71 2.01 -1.24 -2.28 115.64 118.09 3iqw s THR 157 Ca 0.05 -1.40 -0.31 0.00 0.31 0.00 0.00 61.69 60.35 3iqw s THR 157 Cb -0.15 -1.00 -0.12 0.00 0.01 0.00 0.00 72.50 71.24 3iqw s THR 157 CO 0.02 -0.57 1.63 0.00 -0.69 0.00 0.00 174.62 175.01 3iqw n ALA 158 N 0.90 2.58 -1.40 7.40 0.00 -1.26 -4.82 120.51 123.91 3iqw n ALA 158 Ca -0.19 0.39 -0.40 0.00 0.00 0.00 0.00 53.44 53.23 3iqw n ALA 158 Cb 0.57 -2.48 0.01 0.00 0.00 0.00 0.00 19.45 17.56 3iqw n ALA 158 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3iqw n PRO 159 N 2.80 0.37 -0.01 0.00 -0.02 -1.26 -3.76 135.00 133.12 3iqw n PRO 159 Ca 0.11 0.14 0.06 0.00 -2.02 0.00 0.00 63.50 61.79 3iqw n PRO 159 Cb 0.36 -1.39 0.09 0.00 -0.02 0.00 0.00 33.50 32.54 3iqw n PRO 159 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3iqw n THR 160 N -1.21 0.00 -0.38 3.45 -1.04 -1.26 -1.80 114.28 112.04 3iqw n THR 160 Ca 0.11 0.38 -0.06 0.00 -2.04 0.00 0.00 64.05 62.43 3iqw n THR 160 Cb 0.43 -0.70 -0.04 0.00 -1.82 0.00 0.00 70.33 68.20 3iqw n THR 160 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3iqw n GLY 161 N -0.98 -2.21 0.11 3.41 0.00 -1.26 0.15 105.19 104.41 3iqw n GLY 161 Ca 0.05 1.08 -0.16 0.00 0.00 0.00 0.00 46.02 46.99 3iqw n GLY 161 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3iqw h HIS 162 N 0.00 0.28 0.00 1.61 3.86 -1.49 -2.67 115.15 116.73 3iqw h HIS 162 Ca 0.22 -0.20 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3iqw h HIS 162 Cb 0.45 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.91 3iqw h HIS 162 CO -0.90 1.42 0.00 2.41 0.86 0.00 0.00 177.93 181.72 3iqw n THR 163 N -3.29 0.00 -0.13 2.45 -1.04 -1.04 -0.84 114.28 110.38 3iqw n THR 163 Ca -0.24 1.28 0.28 0.00 -2.04 0.00 0.00 64.05 63.32 3iqw n THR 163 Cb 1.05 -2.01 0.70 0.00 -1.82 0.00 0.00 70.33 68.25 3iqw n THR 163 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3iqw h LEU 164 N 0.00 0.00 -0.11 -4.42 7.12 0.12 0.56 115.31 118.58 3iqw h LEU 164 Ca 0.00 0.00 -0.18 0.00 0.13 0.00 0.00 57.88 57.83 3iqw h LEU 164 Cb 0.00 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.14 3iqw h LEU 164 CO 0.00 0.00 -0.65 -0.09 -0.13 0.00 0.00 178.44 177.57 3iqw h ARG 165 N 0.00 0.63 0.26 1.25 2.43 -1.22 -2.41 114.38 115.31 3iqw h ARG 165 Ca 0.40 -0.53 0.01 0.00 -0.81 0.00 0.00 59.98 59.04 3iqw h ARG 165 Cb 1.84 0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 31.48 3iqw h ARG 165 CO -0.00 1.15 -0.35 0.35 -1.51 0.00 0.00 179.97 179.60 3iqw h PHE 166 N 0.28 -0.96 -0.57 2.20 3.57 0.22 -2.32 116.94 119.35 3iqw h PHE 166 Ca -0.05 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.54 3iqw h PHE 166 Cb 1.30 0.39 -0.10 0.00 2.79 0.00 0.00 35.95 40.32 3iqw h PHE 166 CO 0.11 -0.48 -0.46 -0.07 -2.23 0.00 0.00 178.31 175.18 3iqw h LEU 167 N -0.67 -1.57 -0.42 0.59 3.38 -1.58 0.73 115.31 115.77 3iqw h LEU 167 Ca -0.00 0.25 0.12 0.00 0.09 0.00 0.00 57.88 58.34 3iqw h LEU 167 Cb 0.64 0.70 -0.02 0.00 0.09 0.00 0.00 40.66 42.08 3iqw h LEU 167 CO -0.12 -0.34 0.81 0.00 0.09 0.00 0.00 178.44 178.88 3iqw n GLN 168 N -5.40 0.02 0.00 1.13 1.13 -0.89 -2.28 117.38 111.09 3iqw n GLN 168 Ca 0.01 0.71 0.00 0.00 -1.94 0.00 0.00 57.00 55.78 3iqw n GLN 168 Cb 0.35 -1.83 0.00 0.00 0.11 0.00 0.00 30.24 28.86 3iqw n GLN 168 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3iqw n PHE 169 N -2.36 0.00 -0.32 1.08 7.35 0.25 -2.56 117.46 120.91 3iqw n PHE 169 Ca 0.09 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.69 3iqw n PHE 169 Cb 0.93 -0.45 -0.09 0.00 0.35 0.00 0.00 39.48 40.23 3iqw n PHE 169 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 3iqw h PRO 170 N 0.00 -0.06 0.00 -7.13 0.11 -1.56 0.90 132.00 124.26 3iqw h PRO 170 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3iqw h PRO 170 Cb 0.00 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.12 3iqw h PRO 170 CO 0.00 -0.04 0.00 0.25 -0.21 0.00 0.00 178.00 178.00 3iqw n THR 171 N -4.95 0.09 -0.08 -1.15 -2.24 -1.24 -1.85 114.28 102.85 3iqw n THR 171 Ca 0.01 0.02 -0.10 0.00 -2.27 0.00 0.00 64.05 61.71 3iqw n THR 171 Cb 0.24 -1.02 -0.09 0.00 -2.10 0.00 0.00 70.33 67.35 3iqw n THR 171 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3iqw n VAL 172 N -1.02 1.01 -0.19 2.28 0.31 0.30 -4.69 118.33 116.34 3iqw n VAL 172 Ca 0.00 -0.47 -0.07 0.00 -0.01 0.00 0.00 64.34 63.79 3iqw n VAL 172 Cb 0.00 -0.95 0.03 0.00 -0.91 0.00 0.00 33.84 32.01 3iqw n VAL 172 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3iqw h LEU 173 N 0.00 0.69 0.00 7.52 4.07 -0.55 -3.51 115.31 123.53 3iqw h LEU 173 Ca -0.40 -0.09 0.00 0.00 0.08 0.00 0.00 57.88 57.47 3iqw h LEU 173 Cb 1.72 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 43.28 3iqw h LEU 173 CO -0.03 0.58 0.00 -0.62 -1.08 0.00 0.00 178.44 177.29 3iqw n GLU 174 N -4.61 0.00 0.00 1.13 1.02 -1.23 -5.15 120.64 111.80 3iqw n GLU 174 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 3iqw n GLU 174 Cb 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.50 3iqw n GLU 174 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3iqw n MET 211 N 0.00 0.00 0.00 3.49 0.00 -1.26 -5.08 117.12 114.27 3iqw n MET 211 Ca 0.00 0.08 0.04 0.00 0.00 0.00 0.00 57.70 57.82 3iqw n MET 211 Cb 0.00 -1.01 0.26 0.00 0.00 0.00 0.00 33.22 32.48 3iqw n MET 211 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 3iqw n GLU 212 N -0.73 0.27 0.00 0.03 4.71 -1.26 0.29 120.64 123.95 3iqw n GLU 212 Ca 0.00 0.02 0.13 0.00 -0.01 0.00 0.00 57.16 57.30 3iqw n GLU 212 Cb 0.00 -1.50 0.44 0.00 -1.01 0.00 0.00 31.44 29.37 3iqw n GLU 212 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 3iqw n LYS 213 N -1.02 0.01 -0.02 3.49 2.85 -1.26 0.01 118.16 122.22 3iqw n LYS 213 Ca 0.07 -0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.32 3iqw n LYS 213 Cb 0.03 -1.50 -0.00 0.00 -0.65 0.00 0.00 35.03 32.91 3iqw n LYS 213 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 3iqw h LEU 214 N 0.01 0.00 -0.90 -5.58 3.38 -0.60 -3.24 115.31 108.38 3iqw h LEU 214 Ca 0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 3iqw h LEU 214 Cb 0.50 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.14 3iqw h LEU 214 CO 0.00 0.18 -0.53 -0.67 0.09 0.00 0.00 178.44 177.51 3iqw n ASP 215 N -2.91 -0.95 -0.11 -0.43 -0.08 -1.21 -1.92 116.55 108.94 3iqw n ASP 215 Ca -0.01 1.63 -0.05 0.00 -1.51 0.00 0.00 54.79 54.85 3iqw n ASP 215 Cb 0.02 -0.22 0.01 0.00 2.34 0.00 0.00 41.12 43.27 3iqw n ASP 215 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3iqw h SER 216 N 0.00 -0.53 0.00 1.67 4.64 -0.60 0.36 113.55 119.09 3iqw h SER 216 Ca 0.14 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3iqw h SER 216 Cb 0.37 0.30 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3iqw h SER 216 CO -0.84 -0.19 0.00 -0.11 -0.87 0.00 0.00 176.83 174.82 3iqw n LEU 217 N -5.34 0.00 -0.41 5.97 7.94 -1.00 -1.96 117.00 122.20 3iqw n LEU 217 Ca 0.02 0.96 -0.09 0.00 -1.11 0.00 0.00 56.01 55.79 3iqw n LEU 217 Cb 0.25 -0.46 -0.07 0.00 0.53 0.00 0.00 43.42 43.67 3iqw n LEU 217 CO 0.14 -0.46 0.50 -0.09 -1.11 0.00 0.00 177.39 176.37 3iqw h ARG 218 N 0.00 -0.01 -0.83 1.96 1.12 -0.62 1.40 114.38 117.40 3iqw h ARG 218 Ca 0.00 0.00 0.09 0.00 -1.11 0.00 0.00 59.98 58.96 3iqw h ARG 218 Cb 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 29.97 29.85 3iqw h ARG 218 CO 0.00 -0.01 -0.43 0.28 -3.11 0.00 0.00 179.97 176.70 3iqw n VAL 219 N -5.30 -0.52 -0.20 0.20 0.31 0.12 0.48 118.33 113.42 3iqw n VAL 219 Ca 0.04 1.98 0.18 0.00 -0.01 0.00 0.00 64.34 66.53 3iqw n VAL 219 Cb 0.29 -2.51 0.52 0.00 -0.91 0.00 0.00 33.84 31.23 3iqw n VAL 219 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3iqw h THR 220 N 0.00 0.73 0.03 2.52 1.03 0.25 0.59 112.91 118.06 3iqw h THR 220 Ca 0.19 -0.14 -0.00 0.00 -0.01 0.00 0.00 66.41 66.45 3iqw h THR 220 Cb 0.39 0.30 0.00 0.00 -1.07 0.00 0.00 68.15 67.78 3iqw h THR 220 CO -0.79 0.07 -0.01 0.40 -0.01 0.00 0.00 175.52 175.18 3iqw h ILE 221 N 0.39 1.26 -0.89 0.00 2.04 0.54 -2.22 117.51 118.64 3iqw h ILE 221 Ca 0.42 -0.90 0.09 0.00 1.00 0.00 0.00 64.86 65.46 3iqw h ILE 221 Cb 1.02 1.86 -0.11 0.00 -0.74 0.00 0.00 36.82 38.86 3iqw h ILE 221 CO -0.14 0.23 -0.50 -1.20 0.00 0.00 0.00 178.15 176.54 3iqw n SER 222 N -4.92 -0.89 0.23 1.72 7.64 0.19 0.19 113.62 117.78 3iqw n SER 222 Ca -0.08 1.58 -0.12 0.00 1.01 0.00 0.00 58.87 61.26 3iqw n SER 222 Cb 0.21 -0.23 -0.06 0.00 -1.01 0.00 0.00 64.21 63.12 3iqw n SER 222 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3iqw h GLU 223 N 0.00 -0.66 -0.84 1.43 5.08 -1.08 0.18 114.58 118.70 3iqw h GLU 223 Ca 0.17 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.65 3iqw h GLU 223 Cb 0.39 0.15 -0.11 0.00 0.50 0.00 0.00 28.75 29.68 3iqw h GLU 223 CO -0.84 -0.44 -0.58 0.28 -1.00 0.00 0.00 179.01 176.43 3iqw h VAL 224 N -0.68 0.00 -0.71 3.13 2.07 -0.60 0.12 116.25 119.57 3iqw h VAL 224 Ca -0.05 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.62 3iqw h VAL 224 Cb 0.56 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.20 3iqw h VAL 224 CO 0.03 0.00 -0.10 -1.13 0.02 0.00 0.00 177.57 176.39 3iqw h ASN 225 N -0.10 -0.52 -0.99 0.57 -1.24 0.23 0.86 115.58 114.39 3iqw h ASN 225 Ca 0.14 0.20 0.09 0.00 0.71 0.00 0.00 56.30 57.44 3iqw h ASN 225 Cb 0.46 0.39 -0.07 0.00 0.73 0.00 0.00 38.32 39.82 3iqw h ASN 225 CO -0.84 -0.21 0.63 0.00 -1.29 0.00 0.00 177.43 175.72 3iqw h ALA 226 N 1.69 1.42 -0.36 1.57 0.00 0.13 -1.60 119.26 122.11 3iqw h ALA 226 Ca 0.36 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.34 3iqw h ALA 226 Cb 0.59 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 3iqw h ALA 226 CO -0.69 0.33 -0.00 0.37 0.00 0.00 0.00 179.25 179.26 3iqw h GLN 227 N 1.08 0.09 -0.80 0.00 -0.00 0.26 0.75 115.11 116.48 3iqw h GLN 227 Ca 0.46 -0.01 0.02 0.00 -0.00 0.00 0.00 58.65 59.12 3iqw h GLN 227 Cb 0.31 -0.02 -0.05 0.00 0.00 0.00 0.00 27.48 27.72 3iqw h GLN 227 CO -0.21 0.06 0.52 0.74 0.00 0.00 0.00 178.83 179.93 3iqw h PHE 228 N 0.10 0.97 -0.00 3.99 0.04 -0.34 -2.07 116.94 119.63 3iqw h PHE 228 Ca 0.17 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.97 3iqw h PHE 228 Cb 0.24 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 38.07 3iqw h PHE 228 CO -0.25 0.57 -0.06 1.63 -0.60 0.00 0.00 178.31 179.60 3iqw n LYS 229 N -4.57 0.23 -2.62 1.51 5.02 -0.63 -4.43 118.16 112.66 3iqw n LYS 229 Ca 0.09 -0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.93 3iqw n LYS 229 Cb 0.07 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.55 3iqw n LYS 229 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3iqw s ASP 230 N -2.79 6.44 0.13 4.39 -1.08 0.16 -4.83 116.67 119.09 3iqw s ASP 230 Ca 0.20 0.06 0.17 0.00 -0.52 0.00 0.00 52.55 52.46 3iqw s ASP 230 Cb 0.19 -2.54 0.75 0.00 -1.46 0.00 0.00 42.92 39.87 3iqw s ASP 230 CO 0.52 -1.44 1.54 -1.84 0.52 0.00 0.00 175.17 174.46 3iqw n GLU 231 N 8.29 0.09 0.11 4.34 0.28 -1.26 -1.08 120.64 131.40 3iqw n GLU 231 Ca 0.08 0.37 0.01 0.00 -0.16 0.00 0.00 57.16 57.46 3iqw n GLU 231 Cb 0.49 -1.69 -0.01 0.00 1.43 0.00 0.00 31.44 31.66 3iqw n GLU 231 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3iqw h ARG 232 N 0.00 0.00 0.00 3.44 3.08 -1.92 -3.37 114.38 115.61 3iqw h ARG 232 Ca 0.00 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.83 3iqw h ARG 232 Cb 0.25 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.26 3iqw h ARG 232 CO 0.00 0.47 -2.10 1.28 -1.07 0.00 0.00 179.97 178.56 3iqw n LEU 233 N -3.14 0.16 -3.83 3.04 4.77 -0.24 -1.99 117.00 115.77 3iqw n LEU 233 Ca -0.01 0.07 -0.13 0.00 -0.03 0.00 0.00 56.01 55.91 3iqw n LEU 233 Cb 0.77 0.27 -0.15 0.00 -2.33 0.00 0.00 43.42 41.99 3iqw n LEU 233 CO 0.42 0.29 -0.34 -0.89 -1.33 0.00 0.00 177.39 175.53 3iqw s THR 234 N -2.87 -0.02 0.21 -5.08 2.01 -0.87 -0.94 115.64 108.08 3iqw s THR 234 Ca -0.08 0.07 -0.02 0.00 0.31 0.00 0.00 61.69 61.98 3iqw s THR 234 Cb 0.09 -0.05 -0.04 0.00 0.01 0.00 0.00 72.50 72.51 3iqw s THR 234 CO 0.85 0.03 0.17 -0.89 -0.69 0.00 0.00 174.62 174.09 3iqw s THR 235 N 0.38 0.00 0.01 -0.82 2.01 -1.05 -4.32 115.64 111.85 3iqw s THR 235 Ca -0.03 -1.94 0.08 0.00 0.31 0.00 0.00 61.69 60.11 3iqw s THR 235 Cb -0.05 -2.47 -0.02 0.00 0.01 0.00 0.00 72.50 69.97 3iqw s THR 235 CO -0.01 0.00 -0.26 -0.36 -0.69 0.00 0.00 174.62 173.30 3iqw s PHE 236 N -4.11 2.34 -0.17 4.92 0.08 -0.79 -1.61 117.98 118.65 3iqw s PHE 236 Ca 0.37 -0.42 -0.05 0.00 0.12 0.00 0.00 56.93 56.95 3iqw s PHE 236 Cb 0.06 -1.46 -0.03 0.00 -0.57 0.00 0.00 43.02 41.02 3iqw s PHE 236 CO 0.12 0.04 0.01 0.08 -0.10 0.00 0.00 175.22 175.37 3iqw s VAL 237 N -0.70 4.26 -0.16 -0.44 1.01 0.37 -3.95 120.40 120.79 3iqw s VAL 237 Ca 0.11 -0.22 -0.10 0.00 0.00 0.00 0.00 61.98 61.76 3iqw s VAL 237 Cb -0.10 -2.90 -0.05 0.00 0.00 0.00 0.00 36.38 33.34 3iqw s VAL 237 CO 0.00 0.47 0.18 0.00 0.00 0.00 0.00 175.10 175.76 3iqw s VAL 239 N -0.06 2.92 0.30 0.00 1.01 0.09 0.47 120.40 125.14 3iqw s VAL 239 Ca 0.12 -0.76 -0.13 0.00 0.00 0.00 0.00 61.98 61.21 3iqw s VAL 239 Cb -0.12 -2.15 0.02 0.00 0.00 0.00 0.00 36.38 34.13 3iqw s VAL 239 CO 0.02 0.57 0.61 0.00 0.00 0.00 0.00 175.10 176.30 3iqw s ILE 241 N -3.42 1.70 -0.73 0.00 -4.36 -1.26 -0.09 121.20 113.03 3iqw s ILE 241 Ca 0.20 -1.87 -0.05 0.00 -0.26 0.00 0.00 60.65 58.67 3iqw s ILE 241 Cb -0.03 -2.56 0.04 0.00 1.25 0.00 0.00 42.46 41.16 3iqw s ILE 241 CO 0.11 0.00 2.74 -0.81 0.24 0.00 0.00 174.94 177.23 3iqw n PRO 242 N -1.25 3.12 -4.51 0.37 -0.04 -1.26 -4.33 135.00 127.10 3iqw n PRO 242 Ca -0.09 -2.56 -0.25 0.00 -0.04 0.00 0.00 63.50 60.56 3iqw n PRO 242 Cb 0.66 -2.31 -0.10 0.00 -0.04 0.00 0.00 33.50 31.71 3iqw n PRO 242 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 3iqw s GLU 243 N -1.11 1.74 0.10 0.54 4.04 -1.26 -4.65 118.70 118.10 3iqw s GLU 243 Ca 0.59 -1.87 -0.30 0.00 0.04 0.00 0.00 54.97 53.42 3iqw s GLU 243 Cb 0.31 -1.63 -0.12 0.00 0.02 0.00 0.00 34.13 32.71 3iqw s GLU 243 CO -0.15 0.17 1.62 0.35 -1.84 0.00 0.00 175.26 175.40 3iqw h PHE 244 N 2.12 -0.87 -0.63 4.83 3.57 -2.00 -2.61 116.94 121.35 3iqw h PHE 244 Ca -0.41 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.06 3iqw h PHE 244 Cb 1.25 0.34 -0.03 0.00 2.79 0.00 0.00 35.95 40.30 3iqw h PHE 244 CO 0.76 -0.45 0.24 -0.07 -2.23 0.00 0.00 178.31 176.56 3iqw h LEU 245 N -0.65 0.85 0.21 0.59 3.38 -1.97 -1.51 115.31 116.20 3iqw h LEU 245 Ca -0.01 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3iqw h LEU 245 Cb 0.61 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3iqw h LEU 245 CO -0.08 0.77 -0.10 -1.28 0.09 0.00 0.00 178.44 177.84 3iqw h SER 246 N 0.91 -0.24 -0.74 -0.43 0.87 -1.83 -1.57 113.55 110.51 3iqw h SER 246 Ca 0.21 -0.17 0.05 0.00 -1.23 0.00 0.00 61.79 60.65 3iqw h SER 246 Cb 0.20 0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 62.17 3iqw h SER 246 CO -0.02 0.04 0.45 -0.07 -0.53 0.00 0.00 176.83 176.71 3iqw h LEU 247 N -0.54 0.71 -0.19 2.23 3.38 -1.29 -0.53 115.31 119.08 3iqw h LEU 247 Ca -0.03 0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.99 3iqw h LEU 247 Cb 0.40 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 3iqw h LEU 247 CO 0.05 0.47 -0.05 0.22 0.09 0.00 0.00 178.44 179.22 3iqw h TYR 248 N 0.85 -0.11 -0.42 1.13 3.20 -1.18 0.63 116.97 121.06 3iqw h TYR 248 Ca 0.32 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.14 3iqw h TYR 248 Cb 0.12 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 3iqw h TYR 248 CO -0.05 -0.09 -0.01 1.49 -1.64 0.00 0.00 178.16 177.86 3iqw h GLU 249 N -0.01 0.68 -0.68 1.82 4.81 -0.71 -1.66 114.58 118.83 3iqw h GLU 249 Ca 0.09 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 3iqw h GLU 249 Cb 0.15 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 3iqw h GLU 249 CO -0.20 0.70 0.40 1.15 -0.73 0.00 0.00 179.01 180.33 3iqw h THR 250 N 0.64 1.20 -0.05 0.32 2.02 -0.39 0.12 112.91 116.76 3iqw h THR 250 Ca 0.13 -0.45 -0.00 0.00 0.77 0.00 0.00 66.41 66.86 3iqw h THR 250 Cb 0.41 0.24 -0.00 0.00 -1.74 0.00 0.00 68.15 67.06 3iqw h THR 250 CO 0.02 0.21 0.02 -0.33 0.37 0.00 0.00 175.52 175.80 3iqw h GLU 251 N 0.94 0.08 -0.91 6.66 5.08 -0.04 -1.34 114.58 125.06 3iqw h GLU 251 Ca 0.25 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.63 3iqw h GLU 251 Cb -0.02 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.16 3iqw h GLU 251 CO -0.04 0.23 0.58 -0.09 -1.00 0.00 0.00 179.01 178.69 3iqw h ARG 252 N -0.09 1.08 -0.03 2.33 2.43 -0.80 -1.41 114.38 117.89 3iqw h ARG 252 Ca 0.02 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3iqw h ARG 252 Cb 0.18 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3iqw h ARG 252 CO -0.00 0.71 0.00 1.98 -1.51 0.00 0.00 179.97 181.15 3iqw h MET 253 N 1.11 0.06 -0.87 0.20 4.05 -0.62 0.58 114.93 119.43 3iqw h MET 253 Ca 0.37 -0.02 0.15 0.00 -0.28 0.00 0.00 59.70 59.92 3iqw h MET 253 Cb 0.06 -0.01 -0.09 0.00 -0.80 0.00 0.00 31.60 30.76 3iqw h MET 253 CO -0.14 0.33 0.46 0.82 0.23 0.00 0.00 176.91 178.62 3iqw h ILE 254 N -0.22 0.74 -0.21 1.77 2.04 -0.86 0.41 117.51 121.18 3iqw h ILE 254 Ca 0.01 -0.23 -0.11 0.00 1.00 0.00 0.00 64.86 65.53 3iqw h ILE 254 Cb 0.30 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 3iqw h ILE 254 CO 0.00 0.12 -0.34 -0.61 0.00 0.00 0.00 178.15 177.32 3iqw h GLN 255 N 0.66 0.43 0.15 2.37 5.75 -0.75 -1.97 115.11 121.75 3iqw h GLN 255 Ca 0.47 -0.19 -0.01 0.00 -0.15 0.00 0.00 58.65 58.78 3iqw h GLN 255 Cb 0.66 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.20 3iqw h GLN 255 CO -0.35 0.72 -0.07 0.93 -2.65 0.00 0.00 178.83 177.40 3iqw h GLU 256 N 0.37 -0.20 -0.76 1.69 4.39 0.92 -2.21 114.58 118.79 3iqw h GLU 256 Ca 0.04 0.01 0.11 0.00 0.34 0.00 0.00 59.36 59.87 3iqw h GLU 256 Cb 0.77 0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 29.39 3iqw h GLU 256 CO 0.06 0.17 0.38 -0.07 -1.16 0.00 0.00 179.01 178.39 3iqw h LEU 257 N -0.61 0.47 0.15 1.33 3.38 -0.91 0.35 115.31 119.48 3iqw h LEU 257 Ca -0.02 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.04 3iqw h LEU 257 Cb 0.46 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 3iqw h LEU 257 CO 0.03 0.24 -0.42 0.00 0.09 0.00 0.00 178.44 178.38 3iqw h ALA 258 N 1.48 -0.77 -0.83 1.53 0.00 -1.36 0.36 119.26 119.66 3iqw h ALA 258 Ca 0.39 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 55.36 3iqw h ALA 258 Cb 0.48 0.70 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 3iqw h ALA 258 CO -0.31 -1.00 0.54 -0.91 0.00 0.00 0.00 179.25 177.58 3iqw h ASN 259 N -0.68 0.55 0.57 0.00 2.35 0.23 0.67 115.58 119.28 3iqw h ASN 259 Ca 0.01 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3iqw h ASN 259 Cb 0.69 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.98 3iqw h ASN 259 CO -0.23 0.29 -0.15 -1.22 -1.65 0.00 0.00 177.43 174.47 3iqw n TYR 260 N -4.53 0.00 -2.28 1.19 4.01 0.21 -4.92 117.16 110.85 3iqw n TYR 260 Ca 0.16 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.80 3iqw n TYR 260 Cb 0.48 -0.29 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 3iqw n TYR 260 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3iqw n GLY 261 N 1.38 0.02 3.80 2.72 0.00 0.24 -4.86 105.19 108.48 3iqw n GLY 261 Ca 0.11 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 3iqw n GLY 261 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iqw s ILE 262 N -2.55 5.41 0.26 -0.61 1.01 0.93 -4.41 121.20 121.25 3iqw s ILE 262 Ca 0.03 0.29 -0.30 0.00 0.00 0.00 0.00 60.65 60.68 3iqw s ILE 262 Cb -0.01 -3.48 -0.09 0.00 0.01 0.00 0.00 42.46 38.88 3iqw s ILE 262 CO 0.04 0.52 1.11 -0.62 0.00 0.00 0.00 174.94 175.99 3iqw s ASP 263 N -0.30 7.24 -0.15 3.58 -1.08 -1.26 -4.16 116.67 120.54 3iqw s ASP 263 Ca 0.13 2.25 -0.12 0.00 -0.52 0.00 0.00 52.55 54.30 3iqw s ASP 263 Cb -0.12 -2.62 0.05 0.00 -1.46 0.00 0.00 42.92 38.76 3iqw s ASP 263 CO 0.02 -0.18 0.39 0.28 0.52 0.00 0.00 175.17 176.21 3iqw s THR 264 N -0.96 -0.01 0.00 1.71 -1.32 -1.26 -1.88 115.64 111.92 3iqw s THR 264 Ca 0.46 0.04 0.03 0.00 -1.21 0.00 0.00 61.69 61.01 3iqw s THR 264 Cb -0.32 -0.56 0.05 0.00 -1.51 0.00 0.00 72.50 70.16 3iqw s THR 264 CO 0.40 0.01 0.82 0.00 -2.21 0.00 0.00 174.62 173.65 3iqw n HIS 265 N 3.36 0.00 -3.81 9.09 1.44 -1.25 -4.97 115.22 119.09 3iqw n HIS 265 Ca -0.17 -0.14 -0.17 0.00 -2.01 0.00 0.00 57.72 55.24 3iqw n HIS 265 Cb 0.56 0.14 -0.16 0.00 0.12 0.00 0.00 29.99 30.65 3iqw n HIS 265 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3iqw s ILE 267 N 1.26 2.48 -0.31 0.00 1.01 0.26 -0.98 121.20 124.91 3iqw s ILE 267 Ca -0.07 -0.90 -0.06 0.00 0.00 0.00 0.00 60.65 59.62 3iqw s ILE 267 Cb -0.13 -1.96 0.02 0.00 0.01 0.00 0.00 42.46 40.40 3iqw s ILE 267 CO -0.03 0.56 0.08 -0.69 0.00 0.00 0.00 174.94 174.87 3iqw s VAL 268 N -0.04 3.83 -0.44 2.92 1.01 0.18 -0.83 120.40 127.02 3iqw s VAL 268 Ca -0.06 -0.90 -0.18 0.00 0.00 0.00 0.00 61.98 60.84 3iqw s VAL 268 Cb -0.15 -3.06 0.03 0.00 0.00 0.00 0.00 36.38 33.21 3iqw s VAL 268 CO 0.05 -0.03 0.49 -0.69 0.00 0.00 0.00 175.10 174.92 3iqw s VAL 269 N 1.45 5.03 0.45 2.92 1.01 -0.68 -1.41 120.40 129.17 3iqw s VAL 269 Ca 0.01 -0.38 0.08 0.00 0.00 0.00 0.00 61.98 61.68 3iqw s VAL 269 Cb -0.18 -4.11 0.02 0.00 0.00 0.00 0.00 36.38 32.11 3iqw s VAL 269 CO 0.02 -0.53 0.61 0.21 0.00 0.00 0.00 175.10 175.42 3iqw s ASN 270 N 2.05 5.56 -1.39 3.32 2.47 0.87 -1.47 114.94 126.35 3iqw s ASN 270 Ca 0.13 -0.44 -0.08 0.00 0.42 0.00 0.00 52.86 52.90 3iqw s ASN 270 Cb -0.18 -0.57 0.05 0.00 -1.45 0.00 0.00 41.25 39.10 3iqw s ASN 270 CO 0.13 -0.86 0.55 0.00 -3.72 0.00 0.00 177.10 173.21 3iqw n GLN 271 N -1.93 -4.08 -2.27 0.43 6.02 -1.07 -4.41 117.38 110.06 3iqw n GLN 271 Ca 0.09 0.65 -0.42 0.00 -0.01 0.00 0.00 57.00 57.31 3iqw n GLN 271 Cb 0.59 -5.43 -0.03 0.00 1.02 0.00 0.00 30.24 26.40 3iqw n GLN 271 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3iqw s LEU 272 N -6.59 4.36 -0.33 1.08 1.43 -0.63 -4.37 118.68 113.63 3iqw s LEU 272 Ca 0.37 2.17 -0.21 0.00 -1.03 0.00 0.00 54.13 55.43 3iqw s LEU 272 Cb -0.18 -3.58 -0.00 0.00 0.03 0.00 0.00 46.19 42.46 3iqw s LEU 272 CO 0.45 -0.60 0.64 -0.22 0.23 0.00 0.00 176.35 176.85 3iqw s LEU 273 N 1.36 4.19 -0.43 1.79 1.98 -1.26 0.39 118.68 126.69 3iqw s LEU 273 Ca 0.62 0.32 -0.13 0.00 -2.89 0.00 0.00 54.13 52.05 3iqw s LEU 273 Cb -0.33 -2.82 0.06 0.00 0.66 0.00 0.00 46.19 43.76 3iqw s LEU 273 CO 0.29 -0.54 0.32 -0.36 -1.89 0.00 0.00 176.35 174.17 3iqw s PHE 274 N 2.68 3.26 0.78 5.38 0.08 -1.26 -4.61 117.98 124.28 3iqw s PHE 274 Ca 0.25 -0.98 -0.15 0.00 0.12 0.00 0.00 56.93 56.18 3iqw s PHE 274 Cb -0.15 -2.88 0.04 0.00 -0.57 0.00 0.00 43.02 39.46 3iqw s PHE 274 CO 0.13 -0.74 0.98 -2.30 -0.10 0.00 0.00 175.22 173.19 3iqw n PRO 275 N 5.10 0.28 -2.61 0.24 -0.02 -1.26 -4.93 135.00 131.81 3iqw n PRO 275 Ca -0.12 0.16 -0.40 0.00 -2.02 0.00 0.00 63.50 61.12 3iqw n PRO 275 Cb 0.45 -2.25 -0.05 0.00 -0.02 0.00 0.00 33.50 31.63 3iqw n PRO 275 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3iqw s LYS 276 N -3.64 4.73 0.16 -0.52 1.02 -1.26 -4.98 119.74 115.25 3iqw s LYS 276 Ca 0.71 1.64 -0.32 0.00 0.02 0.00 0.00 55.97 58.03 3iqw s LYS 276 Cb -0.31 -3.25 -0.10 0.00 -0.52 0.00 0.00 37.83 33.65 3iqw s LYS 276 CO 0.53 0.33 1.56 -1.25 -0.92 0.00 0.00 175.35 175.59 3iqw s PRO 277 N -1.14 4.22 0.00 -1.68 0.04 -1.26 -0.83 135.00 134.35 3iqw s PRO 277 Ca 0.44 2.34 0.00 0.00 0.04 0.00 0.00 61.00 63.82 3iqw s PRO 277 Cb -0.29 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.09 3iqw s PRO 277 CO 0.36 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 177.21 3iqw n GLY 278 N 3.74 2.43 3.63 0.56 0.00 -1.26 -4.99 105.19 109.31 3iqw n GLY 278 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3iqw n GLY 278 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3iqw s SER 279 N -3.59 6.87 -0.26 1.61 0.01 -0.01 -5.01 113.70 113.31 3iqw s SER 279 Ca 0.00 0.98 -0.10 0.00 1.31 0.00 0.00 55.95 58.14 3iqw s SER 279 Cb 0.00 -2.49 -0.04 0.00 0.21 0.00 0.00 66.02 63.70 3iqw s SER 279 CO 0.00 -0.72 0.15 1.51 0.41 0.00 0.00 173.24 174.59 3iqw s ASP 280 N 1.53 5.82 -0.02 2.44 1.47 -1.26 -4.73 116.67 121.91 3iqw s ASP 280 Ca 0.40 -0.02 0.01 0.00 1.18 0.00 0.00 52.55 54.11 3iqw s ASP 280 Cb -0.14 -2.06 0.02 0.00 -0.34 0.00 0.00 42.92 40.40 3iqw s ASP 280 CO 0.12 -0.01 -0.01 0.00 0.68 0.00 0.00 175.17 175.95 3iqw h GLU 282 N 6.99 -0.89 0.55 0.00 5.08 -1.98 0.13 114.58 124.46 3iqw h GLU 282 Ca -0.39 0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.01 3iqw h GLU 282 Cb 1.15 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 3iqw h GLU 282 CO 0.48 -0.57 -0.41 1.96 -1.00 0.00 0.00 179.01 179.48 3iqw h GLN 283 N -1.05 -0.88 -0.82 2.33 4.20 -1.97 0.33 115.11 117.24 3iqw h GLN 283 Ca -0.09 0.06 0.14 0.00 0.06 0.00 0.00 58.65 58.82 3iqw h GLN 283 Cb 0.74 0.20 -0.14 0.00 0.30 0.00 0.00 27.48 28.57 3iqw h GLN 283 CO 0.16 -0.59 -0.33 0.00 -0.67 0.00 0.00 178.83 177.39 3iqw h THR 285 N -0.06 0.00 -0.85 0.00 2.02 -0.18 -2.15 112.91 111.69 3iqw h THR 285 Ca 0.32 -0.01 0.24 0.00 0.77 0.00 0.00 66.41 67.73 3iqw h THR 285 Cb 0.59 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.96 3iqw h THR 285 CO -0.86 0.00 0.61 0.00 0.37 0.00 0.00 175.52 175.64 3iqw h ALA 286 N -1.40 2.78 -0.06 6.16 0.00 0.09 0.14 119.26 126.97 3iqw h ALA 286 Ca -0.13 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.58 3iqw h ALA 286 Cb 0.97 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.83 3iqw h ALA 286 CO 0.21 -1.03 -0.65 -0.09 0.00 0.00 0.00 179.25 177.70 3iqw h ARG 287 N 0.01 0.54 0.00 0.00 2.43 -0.25 -2.09 114.38 115.02 3iqw h ARG 287 Ca 0.40 -0.50 -0.07 0.00 -0.81 0.00 0.00 59.98 59.00 3iqw h ARG 287 Cb 1.60 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 31.27 3iqw h ARG 287 CO -0.01 1.13 -0.34 -0.09 -1.51 0.00 0.00 179.97 179.15 3iqw h ARG 288 N 0.13 0.00 -0.13 0.20 1.12 -0.44 -2.40 114.38 112.85 3iqw h ARG 288 Ca -0.06 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.80 3iqw h ARG 288 Cb 1.31 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.27 3iqw h ARG 288 CO 0.13 0.34 0.06 -0.09 -3.11 0.00 0.00 179.97 177.30 3iqw h ARG 289 N 0.00 0.19 -0.17 0.20 2.43 -0.43 -1.54 114.38 115.06 3iqw h ARG 289 Ca -0.00 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.05 3iqw h ARG 289 Cb 0.68 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3iqw h ARG 289 CO 0.04 0.26 -0.22 0.00 -1.51 0.00 0.00 179.97 178.55 3iqw h MET 290 N 0.08 0.44 -0.84 0.20 -0.00 -1.10 -2.79 114.93 110.93 3iqw h MET 290 Ca 0.05 -0.25 0.04 0.00 -0.00 0.00 0.00 59.70 59.54 3iqw h MET 290 Cb 0.14 0.02 -0.05 0.00 -0.00 0.00 0.00 31.60 31.70 3iqw h MET 290 CO -0.01 0.83 0.55 1.96 -0.00 0.00 0.00 176.91 180.25 3iqw h GLN 291 N 0.08 0.98 -0.09 -0.10 4.20 -1.48 -2.42 115.11 116.28 3iqw h GLN 291 Ca 0.02 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.59 3iqw h GLN 291 Cb 0.78 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 3iqw h GLN 291 CO 0.05 0.65 -0.31 -0.22 -0.67 0.00 0.00 178.83 178.33 3iqw h LYS 292 N 1.01 0.16 0.00 1.46 3.11 -1.02 0.17 116.57 121.47 3iqw h LYS 292 Ca 0.34 -0.06 -0.04 0.00 -2.81 0.00 0.00 60.65 58.08 3iqw h LYS 292 Cb 0.08 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.29 3iqw h LYS 292 CO -0.11 0.46 -0.19 -0.22 -2.81 0.00 0.00 179.45 176.59 3iqw h LYS 293 N 0.15 0.00 0.03 1.90 3.64 -1.20 -0.65 116.57 120.43 3iqw h LYS 293 Ca 0.02 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3iqw h LYS 293 Cb 0.63 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 3iqw h LYS 293 CO 0.05 0.19 -0.01 1.88 -2.27 0.00 0.00 179.45 179.28 3iqw h TYR 294 N 0.00 -0.04 -0.84 1.91 0.05 -0.66 -3.30 116.97 114.09 3iqw h TYR 294 Ca -0.00 -0.00 0.08 0.00 0.05 0.00 0.00 58.73 58.85 3iqw h TYR 294 Cb 0.47 0.01 -0.10 0.00 1.01 0.00 0.00 36.73 38.12 3iqw h TYR 294 CO 0.00 0.26 -0.50 1.28 -1.05 0.00 0.00 178.16 178.15 3iqw n LEU 295 N -4.76 -0.89 -0.33 3.88 4.77 0.00 0.20 117.00 119.87 3iqw n LEU 295 Ca -0.03 1.62 0.04 0.00 -0.03 0.00 0.00 56.01 57.61 3iqw n LEU 295 Cb 0.15 -0.25 0.11 0.00 -2.33 0.00 0.00 43.42 41.10 3iqw n LEU 295 CO 0.11 -1.28 0.59 0.47 -1.33 0.00 0.00 177.39 175.95 3iqw n ASP 296 N -4.93 -0.37 -0.12 -1.43 8.00 -0.26 -0.60 116.55 116.84 3iqw n ASP 296 Ca 0.02 1.56 -0.12 0.00 0.71 0.00 0.00 54.79 56.96 3iqw n ASP 296 Cb 0.22 -0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 40.84 3iqw n ASP 296 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 3iqw h GLN 297 N 0.00 0.71 -0.81 -1.24 4.20 -0.32 -0.89 115.11 116.76 3iqw h GLN 297 Ca 0.42 -0.29 0.11 0.00 0.06 0.00 0.00 58.65 58.95 3iqw h GLN 297 Cb 0.64 -0.03 -0.08 0.00 0.30 0.00 0.00 27.48 28.31 3iqw h GLN 297 CO -0.93 0.88 0.44 0.82 -0.67 0.00 0.00 178.83 179.38 3iqw h ILE 298 N 0.50 0.85 0.02 2.54 2.04 0.17 -1.82 117.51 121.80 3iqw h ILE 298 Ca 0.08 -0.24 -0.22 0.00 1.00 0.00 0.00 64.86 65.48 3iqw h ILE 298 Cb 0.65 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.79 3iqw h ILE 298 CO 0.04 0.13 -0.95 -0.33 0.00 0.00 0.00 178.15 177.04 3iqw h GLU 299 N 0.71 0.27 0.00 2.37 5.08 -0.87 -1.20 114.58 120.94 3iqw h GLU 299 Ca 0.41 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3iqw h GLU 299 Cb 0.44 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 3iqw h GLU 299 CO -0.28 1.04 -0.06 1.49 -1.00 0.00 0.00 179.01 180.20 3iqw h GLU 300 N 0.14 0.00 0.00 2.33 4.22 -0.52 0.14 114.58 120.90 3iqw h GLU 300 Ca -0.07 0.00 -0.37 0.00 0.08 0.00 0.00 59.36 59.00 3iqw h GLU 300 Cb 1.60 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.78 3iqw h GLU 300 CO 0.15 0.06 -2.38 1.28 -2.18 0.00 0.00 179.01 175.94 3iqw n LEU 301 N -3.35 0.22 0.00 1.64 4.77 -0.75 -4.64 117.00 114.89 3iqw n LEU 301 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 3iqw n LEU 301 Cb 0.21 0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 3iqw n LEU 301 CO 0.27 0.53 0.01 -1.22 -1.33 0.00 0.00 177.39 175.65 3iqw n TYR 302 N -2.79 0.00 -0.13 -1.77 4.01 -0.48 -4.76 117.16 111.24 3iqw n TYR 302 Ca -0.33 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.46 3iqw n TYR 302 Cb 1.15 0.00 0.11 0.00 -0.31 0.00 0.00 39.34 40.29 3iqw n TYR 302 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3iqw n ASP 303 N -0.64 -0.04 0.00 7.72 2.03 0.48 -0.61 116.55 125.50 3iqw n ASP 303 Ca 0.00 0.62 0.11 0.00 0.52 0.00 0.00 54.79 56.04 3iqw n ASP 303 Cb 0.01 -0.23 -0.10 0.00 -0.72 0.00 0.00 41.12 40.08 3iqw n ASP 303 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3iqw n GLU 304 N -4.33 0.22 -0.47 -0.67 1.02 -1.26 -2.80 120.64 112.35 3iqw n GLU 304 Ca 0.09 -0.06 0.04 0.00 -0.02 0.00 0.00 57.16 57.21 3iqw n GLU 304 Cb 0.29 -1.52 0.06 0.00 -0.02 0.00 0.00 31.44 30.25 3iqw n GLU 304 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 3iqw n GLU 305 N -1.78 0.50 -3.96 3.49 0.28 -0.66 -4.82 120.64 113.69 3iqw n GLU 305 Ca 0.02 -1.75 -0.14 0.00 -0.16 0.00 0.00 57.16 55.13 3iqw n GLU 305 Cb 0.41 -0.83 -0.14 0.00 1.43 0.00 0.00 31.44 32.31 3iqw n GLU 305 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 3iqw s PHE 306 N -1.11 0.18 -0.21 -1.84 0.08 0.22 -4.65 117.98 110.64 3iqw s PHE 306 Ca 0.16 -0.02 -0.29 0.00 0.12 0.00 0.00 56.93 56.90 3iqw s PHE 306 Cb 0.15 -0.14 -0.01 0.00 -0.57 0.00 0.00 43.02 42.45 3iqw s PHE 306 CO -0.01 -0.02 1.37 -0.80 -0.10 0.00 0.00 175.22 175.66 3iqw s ASN 307 N 0.09 6.73 -0.84 1.36 -0.87 0.56 -4.60 114.94 117.37 3iqw s ASN 307 Ca -0.01 1.56 -0.09 0.00 -1.57 0.00 0.00 52.86 52.76 3iqw s ASN 307 Cb -0.02 -2.54 0.22 0.00 -0.02 0.00 0.00 41.25 38.89 3iqw s ASN 307 CO -0.00 -0.97 0.76 -0.69 -2.57 0.00 0.00 177.10 173.62 3iqw s VAL 308 N 4.13 5.10 0.71 1.60 1.01 -1.26 -0.58 120.40 131.12 3iqw s VAL 308 Ca 0.60 -2.92 -0.11 0.00 0.00 0.00 0.00 61.98 59.54 3iqw s VAL 308 Cb -0.22 -4.16 0.02 0.00 0.00 0.00 0.00 36.38 32.02 3iqw s VAL 308 CO 0.21 -1.03 1.08 -0.69 0.00 0.00 0.00 175.10 174.67 3iqw s VAL 309 N -0.33 3.68 -0.36 2.92 1.01 -0.01 -4.61 120.40 122.70 3iqw s VAL 309 Ca 0.21 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.77 3iqw s VAL 309 Cb -0.12 -3.19 0.14 0.00 0.00 0.00 0.00 36.38 33.21 3iqw s VAL 309 CO -0.08 -0.68 0.21 -0.54 0.00 0.00 0.00 175.10 174.01 3iqw s LYS 310 N -4.83 0.65 0.10 2.72 1.02 -1.26 -1.69 119.74 116.45 3iqw s LYS 310 Ca 0.60 -1.38 -0.29 0.00 0.02 0.00 0.00 55.97 54.92 3iqw s LYS 310 Cb -0.16 -1.48 -0.06 0.00 -0.52 0.00 0.00 37.83 35.61 3iqw s LYS 310 CO 0.53 -1.18 0.91 -1.64 -0.92 0.00 0.00 175.35 173.05 3iqw s MET 311 N 1.03 4.65 0.43 1.68 -1.94 -0.54 -4.67 119.30 119.95 3iqw s MET 311 Ca 0.17 1.36 -0.21 0.00 -1.71 0.00 0.00 55.69 55.30 3iqw s MET 311 Cb -0.23 -3.37 -0.11 0.00 2.01 0.00 0.00 34.83 33.14 3iqw s MET 311 CO -0.02 0.24 0.95 -1.25 -0.01 0.00 0.00 175.02 174.93 3iqw s PRO 312 N -0.06 4.21 -0.14 2.03 0.04 -1.26 -1.61 135.00 138.21 3iqw s PRO 312 Ca 0.45 1.12 -0.29 0.00 0.04 0.00 0.00 61.00 62.32 3iqw s PRO 312 Cb -0.23 -2.18 -0.02 0.00 0.04 0.00 0.00 34.50 32.12 3iqw s PRO 312 CO 0.28 -0.05 1.23 -1.17 0.04 0.00 0.00 177.00 177.34 3iqw s LEU 313 N -3.21 4.20 0.27 -3.56 2.96 0.16 -4.49 118.68 115.00 3iqw s LEU 313 Ca 0.62 1.71 -0.03 0.00 -0.22 0.00 0.00 54.13 56.21 3iqw s LEU 313 Cb -0.09 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.01 3iqw s LEU 313 CO 0.14 -0.71 0.49 -0.76 -1.32 0.00 0.00 176.35 174.19 3iqw s LEU 314 N 3.14 4.11 0.27 -0.68 1.02 -1.26 -4.90 118.68 120.38 3iqw s LEU 314 Ca 0.54 0.56 0.01 0.00 0.02 0.00 0.00 54.13 55.27 3iqw s LEU 314 Cb -0.22 -3.37 0.37 0.00 0.02 0.00 0.00 46.19 42.99 3iqw s LEU 314 CO 0.16 -0.15 1.71 -0.37 0.02 0.00 0.00 176.35 177.71 3iqw h VAL 315 N 1.34 1.26 -2.01 -1.59 -1.51 -2.03 -3.44 116.25 108.28 3iqw h VAL 315 Ca -0.48 -1.26 -0.51 0.00 -1.23 0.00 0.00 66.70 63.22 3iqw h VAL 315 Cb 1.19 1.30 -0.05 0.00 -2.13 0.00 0.00 31.29 31.60 3iqw h VAL 315 CO 0.66 0.41 -0.50 -1.61 -1.23 0.00 0.00 177.57 175.29 3iqw s GLU 316 N -4.54 2.73 0.83 5.19 2.02 -1.26 -5.08 118.70 118.59 3iqw s GLU 316 Ca -0.07 -1.24 -0.12 0.00 0.02 0.00 0.00 54.97 53.55 3iqw s GLU 316 Cb 0.14 -2.45 0.10 0.00 0.10 0.00 0.00 34.13 32.01 3iqw s GLU 316 CO 0.80 0.24 1.19 -1.21 0.02 0.00 0.00 175.26 176.29 3iqw s GLU 317 N -3.89 1.48 -0.83 1.61 8.01 -1.26 -4.92 118.70 118.89 3iqw s GLU 317 Ca 0.37 1.70 -0.20 0.00 0.01 0.00 0.00 54.97 56.85 3iqw s GLU 317 Cb -0.06 -1.76 0.12 0.00 -4.31 0.00 0.00 34.13 28.11 3iqw s GLU 317 CO 0.25 -2.32 1.04 0.08 0.01 0.00 0.00 175.26 174.32 3iqw s VAL 318 N -2.29 4.66 0.12 2.63 1.01 -1.26 -5.02 120.40 120.25 3iqw s VAL 318 Ca 0.71 -1.26 0.06 0.00 0.00 0.00 0.00 61.98 61.49 3iqw s VAL 318 Cb -0.27 -4.72 -0.04 0.00 0.00 0.00 0.00 36.38 31.35 3iqw s VAL 318 CO 0.52 -1.45 -0.14 -0.13 0.00 0.00 0.00 175.10 173.91 3iqw s ARG 319 N 2.94 1.00 0.00 2.72 0.52 -1.26 -4.80 118.95 120.07 3iqw s ARG 319 Ca 0.28 -1.22 0.00 0.00 -0.52 0.00 0.00 55.73 54.27 3iqw s ARG 319 Cb -0.10 -0.87 0.00 0.00 0.52 0.00 0.00 34.95 34.50 3iqw s ARG 319 CO -0.03 0.17 0.00 0.41 0.02 0.00 0.00 175.30 175.86 3iqw n GLY 320 N 0.58 -1.91 0.18 -3.53 0.00 -0.32 -3.90 105.19 96.28 3iqw n GLY 320 Ca -0.16 -1.47 -0.04 0.00 0.00 0.00 0.00 46.02 44.35 3iqw n GLY 320 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3iqw h LYS 321 N 0.00 0.05 0.21 1.61 3.64 -1.84 -2.07 116.57 118.17 3iqw h LYS 321 Ca 0.00 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3iqw h LYS 321 Cb 0.00 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3iqw h LYS 321 CO 0.00 0.03 -0.15 0.93 -2.27 0.00 0.00 179.45 177.99 3iqw h GLU 322 N 0.05 -0.33 -0.67 1.90 5.08 -1.99 -1.21 114.58 117.41 3iqw h GLU 322 Ca 0.21 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.71 3iqw h GLU 322 Cb 0.31 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 3iqw h GLU 322 CO -0.40 -0.22 0.45 0.00 -1.00 0.00 0.00 179.01 177.84 3iqw h ARG 323 N -0.34 0.41 -0.45 2.33 3.08 -1.66 -1.25 114.38 116.50 3iqw h ARG 323 Ca -0.03 -0.02 -0.12 0.00 0.07 0.00 0.00 59.98 59.88 3iqw h ARG 323 Cb 0.28 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 3iqw h ARG 323 CO 0.02 0.27 -0.19 -0.07 -1.07 0.00 0.00 179.97 178.93 3iqw h LEU 324 N 0.43 0.95 -0.20 3.04 3.38 -1.09 -1.32 115.31 120.50 3iqw h LEU 324 Ca 0.32 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.91 3iqw h LEU 324 Cb 0.66 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3iqw h LEU 324 CO -0.09 1.13 0.09 -0.33 0.09 0.00 0.00 178.44 179.33 3iqw h GLU 325 N 0.77 0.19 0.55 1.13 5.08 -0.08 0.28 114.58 122.51 3iqw h GLU 325 Ca 0.10 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3iqw h GLU 325 Cb 0.76 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 3iqw h GLU 325 CO 0.06 0.13 -0.44 0.87 -1.00 0.00 0.00 179.01 178.63 3iqw h LYS 326 N 0.20 -0.94 -0.79 2.33 1.57 -1.26 -2.14 116.57 115.54 3iqw h LYS 326 Ca 0.08 0.06 0.13 0.00 -1.87 0.00 0.00 60.65 59.06 3iqw h LYS 326 Cb 0.03 0.21 -0.14 0.00 0.08 0.00 0.00 32.23 32.41 3iqw h LYS 326 CO -0.06 -0.63 -0.34 0.35 -0.57 0.00 0.00 179.45 178.20 3iqw h PHE 327 N -0.97 -0.92 -0.61 -1.35 3.57 -0.99 -1.10 116.94 114.57 3iqw h PHE 327 Ca -0.06 0.09 0.09 0.00 3.53 0.00 0.00 57.97 61.61 3iqw h PHE 327 Cb 0.83 0.52 -0.04 0.00 2.79 0.00 0.00 35.95 40.05 3iqw h PHE 327 CO -0.18 -0.39 0.41 0.66 -2.23 0.00 0.00 178.31 176.58 3iqw h SER 328 N -0.07 0.41 -0.98 0.41 4.64 0.17 -0.08 113.55 118.05 3iqw h SER 328 Ca 0.31 0.01 0.22 0.00 -0.47 0.00 0.00 61.79 61.85 3iqw h SER 328 Cb 0.58 -0.08 -0.09 0.00 -0.31 0.00 0.00 62.40 62.50 3iqw h SER 328 CO -0.83 0.25 0.62 -0.33 -0.87 0.00 0.00 176.83 175.67 3iqw h GLU 329 N 0.46 0.51 0.00 4.77 4.39 -0.59 -0.82 114.58 123.30 3iqw h GLU 329 Ca 0.28 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.91 3iqw h GLU 329 Cb 0.48 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.01 3iqw h GLU 329 CO -0.08 0.34 -0.16 0.52 -1.16 0.00 0.00 179.01 178.46 3iqw h MET 330 N 0.53 0.00 -0.47 2.33 2.86 -1.07 0.96 114.93 120.06 3iqw h MET 330 Ca 0.55 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 58.19 3iqw h MET 330 Cb 1.18 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.82 3iqw h MET 330 CO -0.28 0.16 0.31 1.25 1.06 0.00 0.00 176.91 179.41 3iqw h LEU 331 N 0.00 0.54 0.00 1.22 5.85 -1.25 -3.33 115.31 118.34 3iqw h LEU 331 Ca -0.00 -0.01 -0.31 0.00 0.84 0.00 0.00 57.88 58.39 3iqw h LEU 331 Cb 0.57 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 3iqw h LEU 331 CO 0.02 0.39 -2.17 -0.38 -0.34 0.00 0.00 178.44 175.95 3iqw n ILE 332 N -4.47 1.18 -4.09 4.05 2.08 -0.23 -0.94 119.36 116.95 3iqw n ILE 332 Ca 0.04 -0.65 -0.25 0.00 0.56 0.00 0.00 62.75 62.45 3iqw n ILE 332 Cb 0.06 -0.74 -0.17 0.00 -0.75 0.00 0.00 39.64 38.04 3iqw n ILE 332 CO 0.00 0.00 0.00 -1.59 0.56 0.00 0.00 176.55 175.52 3iqw s LYS 333 N -2.41 1.38 0.16 0.38 0.00 0.17 -4.62 119.74 114.79 3iqw s LYS 333 Ca -0.14 -0.23 -0.34 0.00 0.00 0.00 0.00 55.97 55.26 3iqw s LYS 333 Cb 0.06 -1.38 -0.15 0.00 0.00 0.00 0.00 37.83 36.36 3iqw s LYS 333 CO 0.64 -0.18 1.44 -2.30 0.00 0.00 0.00 175.35 174.95 3iqw n PRO 334 N 4.58 1.77 -2.35 1.78 -0.02 -1.26 -4.17 135.00 135.35 3iqw n PRO 334 Ca -0.16 0.64 -0.42 0.00 -2.02 0.00 0.00 63.50 61.54 3iqw n PRO 334 Cb 0.51 -2.32 -0.03 0.00 -0.02 0.00 0.00 33.50 31.63 3iqw n PRO 334 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3iqw s PHE 335 N 0.47 3.38 -0.31 6.00 5.36 -1.26 -4.99 117.98 126.63 3iqw s PHE 335 Ca 0.77 1.22 0.04 0.00 -0.96 0.00 0.00 56.93 58.00 3iqw s PHE 335 Cb -0.76 -3.49 0.17 0.00 -0.34 0.00 0.00 43.02 38.60 3iqw s PHE 335 CO 0.44 -1.57 0.48 0.14 -1.46 0.00 0.00 175.22 173.25 3iqw s VAL 336 N 0.94 -0.75 -2.95 3.12 -7.23 -1.26 -5.00 120.40 107.27 3iqw s VAL 336 Ca 0.60 -0.24 0.24 0.00 -1.81 0.00 0.00 61.98 60.77 3iqw s VAL 336 Cb -0.32 -0.88 0.22 0.00 0.56 0.00 0.00 36.38 35.96 3iqw s VAL 336 CO 0.30 -0.20 1.30 -0.81 -0.31 0.00 0.00 175.10 175.39