#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iie s ALA 2 N 0.00 -1.83 -0.03 3.04 0.00 -1.26 -3.06 121.76 118.62 2iie s ALA 2 Ca 0.00 2.29 0.03 0.00 0.00 0.00 0.00 51.96 54.29 2iie s ALA 2 Cb 0.00 -1.35 -0.03 0.00 0.00 0.00 0.00 23.12 21.75 2iie s ALA 2 CO 0.00 -0.37 -0.12 0.45 0.00 0.00 0.00 175.76 175.72 2iie s SER 3 N 1.28 4.21 0.45 0.00 0.15 0.28 -4.90 113.70 115.17 2iie s SER 3 Ca -0.07 -0.18 0.06 0.00 0.70 0.00 0.00 55.95 56.46 2iie s SER 3 Cb -0.05 -0.91 -0.03 0.00 -1.71 0.00 0.00 66.02 63.32 2iie s SER 3 CO -0.14 0.33 0.21 0.42 1.20 0.00 0.00 173.24 175.26 2iie s THR 4 N -0.81 2.04 0.14 6.45 -4.23 -1.26 0.98 115.64 118.95 2iie s THR 4 Ca 0.13 -1.68 -0.17 0.00 -1.18 0.00 0.00 61.69 58.78 2iie s THR 4 Cb -0.11 -2.72 -0.01 0.00 1.34 0.00 0.00 72.50 71.00 2iie s THR 4 CO 0.02 0.00 1.77 0.50 -0.54 0.00 0.00 174.62 176.37 2iie h LYS 5 N 1.27 0.30 -0.48 3.99 3.64 -1.85 -0.52 116.57 122.92 2iie h LYS 5 Ca -0.42 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 58.85 2iie h LYS 5 Cb 1.27 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 2iie h LYS 5 CO 0.68 0.20 -0.09 0.66 -2.27 0.00 0.00 179.45 178.62 2iie h SER 6 N 0.31 0.85 0.58 4.20 4.64 -1.96 -0.19 113.55 121.97 2iie h SER 6 Ca 0.13 -0.25 -0.07 0.00 -0.47 0.00 0.00 61.79 61.12 2iie h SER 6 Cb 0.05 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 61.90 2iie h SER 6 CO -0.09 0.96 -0.36 -0.33 -0.87 0.00 0.00 176.83 176.14 2iie h GLU 7 N 0.78 0.00 0.13 4.77 5.08 -1.90 -0.24 114.58 123.20 2iie h GLU 7 Ca 0.13 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.22 2iie h GLU 7 Cb 0.59 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.87 2iie h GLU 7 CO 0.04 0.36 -1.13 1.25 -1.00 0.00 0.00 179.01 178.53 2iie h LEU 8 N 0.00 0.77 -1.26 1.33 6.46 -0.65 -2.86 115.31 119.10 2iie h LEU 8 Ca -0.00 -0.85 -0.07 0.00 -0.12 0.00 0.00 57.88 56.83 2iie h LEU 8 Cb 0.74 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.42 2iie h LEU 8 CO 0.05 1.55 -0.34 0.40 -0.62 0.00 0.00 178.44 179.47 2iie h ILE 9 N 0.10 1.06 -0.29 4.05 2.04 -0.84 -1.58 117.51 122.05 2iie h ILE 9 Ca -0.18 -1.26 -0.09 0.00 1.00 0.00 0.00 64.86 64.33 2iie h ILE 9 Cb 1.83 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 39.62 2iie h ILE 9 CO 0.22 0.34 -0.18 -0.08 0.00 0.00 0.00 178.15 178.45 2iie h GLU 10 N 0.00 0.64 -0.11 2.37 4.81 -1.03 -0.48 114.58 120.78 2iie h GLU 10 Ca -0.00 -0.29 -0.14 0.00 -0.13 0.00 0.00 59.36 58.79 2iie h GLU 10 Cb 0.69 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 2iie h GLU 10 CO 0.04 0.88 -0.54 0.00 -0.73 0.00 0.00 179.01 178.67 2iie h ARG 11 N 0.38 0.31 0.00 1.92 3.08 -1.25 -1.93 114.38 116.89 2iie h ARG 11 Ca 0.06 -0.19 -0.11 0.00 0.07 0.00 0.00 59.98 59.81 2iie h ARG 11 Cb 0.71 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.77 2iie h ARG 11 CO 0.05 0.77 -0.54 -0.07 -1.07 0.00 0.00 179.97 179.12 2iie h LEU 12 N 0.24 0.00 -0.17 3.04 3.38 -1.25 -3.17 115.31 117.38 2iie h LEU 12 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2iie h LEU 12 Cb 1.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 2iie h LEU 12 CO 0.09 0.54 -0.21 0.00 0.09 0.00 0.00 178.44 178.95 2iie h ALA 13 N 1.46 0.25 -0.06 1.53 0.00 -0.73 -2.49 119.26 119.23 2iie h ALA 13 Ca -0.01 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2iie h ALA 13 Cb 1.06 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 2iie h ALA 13 CO 0.07 0.19 0.01 0.25 0.00 0.00 0.00 179.25 179.77 2iie n THR 14 N -4.47 0.39 -0.80 0.00 -2.24 -0.76 -2.44 114.28 103.97 2iie n THR 14 Ca -0.06 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2iie n THR 14 Cb 0.41 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 2iie n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2iie n GLN 15 N 0.10 -0.08 -2.59 -0.78 6.02 -1.16 -4.79 117.38 114.10 2iie n GLN 15 Ca 0.03 -0.07 -0.15 0.00 -0.01 0.00 0.00 57.00 56.80 2iie n GLN 15 Cb 0.38 -0.55 0.02 0.00 1.02 0.00 0.00 30.24 31.11 2iie n GLN 15 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2iie n GLN 16 N -0.01 2.00 0.02 -1.09 1.13 -0.95 -4.91 117.38 113.57 2iie n GLN 16 Ca 0.00 -3.70 0.12 0.00 -1.94 0.00 0.00 57.00 51.48 2iie n GLN 16 Cb 0.20 -1.62 0.56 0.00 0.11 0.00 0.00 30.24 29.49 2iie n GLN 16 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2iie h SER 17 N 2.82 0.22 0.00 1.08 4.64 -1.86 0.10 113.55 120.54 2iie h SER 17 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2iie h SER 17 Cb 1.11 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2iie h SER 17 CO 0.60 0.14 0.00 0.00 -0.87 0.00 0.00 176.83 176.70 2iie n HIS 18 N -4.47 0.00 -4.16 4.77 1.44 -1.26 -4.49 115.22 107.05 2iie n HIS 18 Ca 0.06 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.58 2iie n HIS 18 Cb 0.32 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.27 2iie n HIS 18 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2iie s ILE 19 N -2.00 0.51 0.13 0.61 1.01 0.35 -5.12 121.20 116.70 2iie s ILE 19 Ca 0.13 -0.12 -0.32 0.00 0.00 0.00 0.00 60.65 60.35 2iie s ILE 19 Cb 0.06 -0.54 -0.11 0.00 0.01 0.00 0.00 42.46 41.88 2iie s ILE 19 CO 0.10 0.22 1.79 -0.81 0.00 0.00 0.00 174.94 176.24 2iie n PRO 20 N 3.98 2.68 -0.33 2.79 -0.04 -1.26 -4.79 135.00 138.04 2iie n PRO 20 Ca -0.25 0.97 0.04 0.00 -0.04 0.00 0.00 63.50 64.22 2iie n PRO 20 Cb 0.51 -2.84 0.12 0.00 -0.04 0.00 0.00 33.50 31.25 2iie n PRO 20 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2iie h ALA 21 N 7.90 0.58 -0.60 0.55 0.00 -1.90 0.54 119.26 126.34 2iie h ALA 21 Ca -0.46 0.35 0.17 0.00 0.00 0.00 0.00 54.91 54.98 2iie h ALA 21 Cb 1.22 0.71 -0.02 0.00 0.00 0.00 0.00 17.79 19.70 2iie h ALA 21 CO 0.94 -0.40 0.47 -0.22 0.00 0.00 0.00 179.25 180.04 2iie h LYS 22 N -0.00 0.00 0.17 0.00 1.63 -1.99 0.54 116.57 116.92 2iie h LYS 22 Ca 0.44 0.00 -0.31 0.00 -0.85 0.00 0.00 60.65 59.92 2iie h LYS 22 Cb 0.67 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.31 2iie h LYS 22 CO -0.95 0.00 -1.49 1.15 -3.45 0.00 0.00 179.45 174.71 2iie h THR 23 N 0.00 1.23 -0.74 1.00 2.02 -0.31 -0.77 112.91 115.34 2iie h THR 23 Ca 0.28 -2.79 -0.01 0.00 0.77 0.00 0.00 66.41 64.66 2iie h THR 23 Cb 1.22 2.88 -0.04 0.00 -1.74 0.00 0.00 68.15 70.48 2iie h THR 23 CO -0.00 0.84 0.41 0.58 0.37 0.00 0.00 175.52 177.72 2iie h VAL 24 N 0.10 1.21 -0.04 3.16 2.07 0.77 0.13 116.25 123.65 2iie h VAL 24 Ca -0.24 -0.52 -0.09 0.00 0.82 0.00 0.00 66.70 66.67 2iie h VAL 24 Cb 2.06 0.21 0.01 0.00 -1.52 0.00 0.00 31.29 32.04 2iie h VAL 24 CO 0.21 0.24 -0.33 -0.08 0.02 0.00 0.00 177.57 177.62 2iie h GLU 25 N 1.02 0.30 -0.67 1.57 4.81 -0.20 -2.95 114.58 118.46 2iie h GLU 25 Ca 0.26 -0.26 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2iie h GLU 25 Cb 0.01 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 2iie h GLU 25 CO -0.04 0.93 0.44 -0.44 -0.73 0.00 0.00 179.01 179.17 2iie h ASP 26 N -0.24 0.76 0.91 1.04 3.32 -0.83 -2.83 116.42 118.53 2iie h ASP 26 Ca -0.03 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 2iie h ASP 26 Cb 1.01 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 40.38 2iie h ASP 26 CO 0.07 0.54 -0.45 0.00 -1.72 0.00 0.00 179.24 177.68 2iie h ALA 27 N 1.59 -1.25 -0.73 3.45 0.00 -0.73 -1.37 119.26 120.21 2iie h ALA 27 Ca 0.25 -0.27 0.15 0.00 0.00 0.00 0.00 54.91 55.04 2iie h ALA 27 Cb -0.08 0.50 -0.10 0.00 0.00 0.00 0.00 17.79 18.12 2iie h ALA 27 CO -0.06 -1.21 0.23 0.28 0.00 0.00 0.00 179.25 178.50 2iie h VAL 28 N -1.24 0.59 -0.31 0.00 2.07 -1.40 0.10 116.25 116.06 2iie h VAL 28 Ca -0.12 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.23 2iie h VAL 28 Cb 0.96 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2iie h VAL 28 CO 0.19 0.06 -0.02 0.11 0.02 0.00 0.00 177.57 177.93 2iie h LYS 29 N 0.34 0.48 -0.27 1.57 1.57 -1.40 -0.81 116.57 118.05 2iie h LYS 29 Ca 0.41 -0.10 -0.18 0.00 -1.87 0.00 0.00 60.65 58.90 2iie h LYS 29 Cb 0.66 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 2iie h LYS 29 CO -0.45 0.52 -0.55 0.93 -0.57 0.00 0.00 179.45 179.33 2iie h GLU 30 N 0.46 0.82 0.20 3.15 4.39 0.21 -1.77 114.58 122.04 2iie h GLU 30 Ca 0.10 -0.53 -0.01 0.00 0.34 0.00 0.00 59.36 59.26 2iie h GLU 30 Cb 0.33 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2iie h GLU 30 CO 0.01 1.16 -0.10 0.52 -1.16 0.00 0.00 179.01 179.44 2iie h MET 31 N 0.63 -0.26 -0.26 2.33 2.86 -0.29 0.34 114.93 120.27 2iie h MET 31 Ca 0.01 0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 2iie h MET 31 Cb 1.15 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.86 2iie h MET 31 CO 0.12 -0.14 0.11 -0.07 1.06 0.00 0.00 176.91 177.98 2iie h LEU 32 N -0.31 0.32 -0.05 1.22 3.38 -1.20 0.23 115.31 118.91 2iie h LEU 32 Ca -0.03 -0.02 -0.25 0.00 0.09 0.00 0.00 57.88 57.67 2iie h LEU 32 Cb 0.24 -0.08 0.02 0.00 0.09 0.00 0.00 40.66 40.92 2iie h LEU 32 CO 0.05 0.30 -0.93 -0.08 0.09 0.00 0.00 178.44 177.87 2iie h GLU 33 N 0.37 0.72 -0.59 1.13 4.57 -0.93 -0.95 114.58 118.89 2iie h GLU 33 Ca 0.09 -0.70 -0.02 0.00 -1.18 0.00 0.00 59.36 57.55 2iie h GLU 33 Cb 0.08 0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.82 2iie h GLU 33 CO -0.01 1.29 0.30 1.25 -1.18 0.00 0.00 179.01 180.66 2iie h HIS 34 N 0.41 0.84 -0.15 0.92 2.76 0.31 -0.42 115.15 119.82 2iie h HIS 34 Ca -0.10 -0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.03 2iie h HIS 34 Cb 1.58 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 30.26 2iie h HIS 34 CO 0.10 0.63 0.07 0.52 -1.30 0.00 0.00 177.93 177.95 2iie h MET 35 N 0.81 0.22 -0.30 5.26 2.86 -0.52 -1.28 114.93 121.98 2iie h MET 35 Ca 0.21 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 2iie h MET 35 Cb 0.09 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 2iie h MET 35 CO -0.03 0.29 0.15 0.00 1.06 0.00 0.00 176.91 178.38 2iie h ALA 36 N 0.92 0.39 -0.53 6.32 0.00 -1.01 -2.61 119.26 122.75 2iie h ALA 36 Ca 0.05 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.96 2iie h ALA 36 Cb 0.14 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 2iie h ALA 36 CO -0.01 -0.05 0.11 1.03 0.00 0.00 0.00 179.25 180.34 2iie h SER 37 N 0.36 0.01 -0.16 0.00 0.87 -0.96 0.15 113.55 113.81 2iie h SER 37 Ca 0.10 0.09 0.04 0.00 -1.23 0.00 0.00 61.79 60.80 2iie h SER 37 Cb 0.12 0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.16 2iie h SER 37 CO -0.01 0.03 -0.09 0.74 -0.53 0.00 0.00 176.83 176.97 2iie h THR 38 N 0.25 0.73 -0.07 2.23 2.02 -0.98 0.29 112.91 117.37 2iie h THR 38 Ca 0.27 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.36 2iie h THR 38 Cb 0.37 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 2iie h THR 38 CO -0.34 0.00 -0.36 -0.07 0.37 0.00 0.00 175.52 175.12 2iie h LEU 39 N -0.07 0.15 0.00 2.58 3.38 -1.04 0.14 115.31 120.44 2iie h LEU 39 Ca 0.09 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2iie h LEU 39 Cb 0.21 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 2iie h LEU 39 CO -0.21 0.50 -0.05 0.00 0.09 0.00 0.00 178.44 178.78 2iie h ALA 40 N 1.51 0.01 0.00 1.53 0.00 -0.22 -0.82 119.26 121.26 2iie h ALA 40 Ca 0.01 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 2iie h ALA 40 Cb 0.70 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2iie h ALA 40 CO 0.05 0.03 -1.37 1.04 0.00 0.00 0.00 179.25 179.00 2iie n GLN 41 N -4.66 1.85 0.00 0.00 6.02 0.87 -1.92 117.38 119.55 2iie n GLN 41 Ca -0.07 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 2iie n GLN 41 Cb 0.33 -1.14 0.00 0.00 1.02 0.00 0.00 30.24 30.45 2iie n GLN 41 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2iie n GLY 42 N 2.89 1.51 3.86 1.08 0.00 0.39 -4.23 105.19 110.69 2iie n GLY 42 Ca -0.10 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2iie n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2iie n GLY 43 N 0.00 1.50 2.23 -0.02 0.00 -1.26 -4.66 105.19 102.98 2iie n GLY 43 Ca 0.00 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 2iie n GLY 43 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2iie n SER 44 N 2.36 6.80 -0.64 1.61 7.64 -1.26 -5.07 113.62 125.06 2iie n SER 44 Ca 0.00 -3.77 0.00 0.00 1.01 0.00 0.00 58.87 56.11 2iie n SER 44 Cb 0.00 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 2iie n SER 44 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2iie n GLY 45 N -0.90 -0.35 3.61 0.23 0.00 -1.26 -4.72 105.19 101.81 2iie n GLY 45 Ca 0.58 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 2iie n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2iie n GLY 46 N 0.00 -0.15 3.87 -0.02 0.00 -1.26 -4.65 105.19 102.97 2iie n GLY 46 Ca 0.00 0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 2iie n GLY 46 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2iie s LEU 47 N -0.45 4.37 0.21 0.99 2.96 0.16 -4.98 118.68 121.93 2iie s LEU 47 Ca 0.62 0.77 -0.06 0.00 -0.22 0.00 0.00 54.13 55.24 2iie s LEU 47 Cb -0.57 -2.85 -0.02 0.00 0.50 0.00 0.00 46.19 43.24 2iie s LEU 47 CO 0.58 0.21 0.26 0.42 -1.32 0.00 0.00 176.35 176.50 2iie s THR 48 N -1.33 0.02 0.30 3.68 -4.23 -1.26 -1.72 115.64 111.10 2iie s THR 48 Ca 0.30 -1.72 0.04 0.00 -1.18 0.00 0.00 61.69 59.13 2iie s THR 48 Cb -0.14 -2.29 0.29 0.00 1.34 0.00 0.00 72.50 71.71 2iie s THR 48 CO 0.17 -0.07 1.79 0.11 -0.54 0.00 0.00 174.62 176.08 2iie h LYS 49 N 2.51 0.81 -0.47 3.99 1.57 -1.99 -1.69 116.57 121.29 2iie h LYS 49 Ca -0.32 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.36 2iie h LYS 49 Cb 1.24 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 2iie h LYS 49 CO 0.47 0.53 0.11 0.00 -0.57 0.00 0.00 179.45 180.00 2iie h ALA 50 N 1.62 0.63 -0.17 3.86 0.00 -1.98 -1.99 119.26 121.22 2iie h ALA 50 Ca 0.56 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 55.17 2iie h ALA 50 Cb 0.78 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2iie h ALA 50 CO -0.35 0.32 -0.30 0.93 0.00 0.00 0.00 179.25 179.85 2iie h GLU 51 N 0.64 0.34 -0.17 0.00 5.08 -1.74 0.09 114.58 118.81 2iie h GLU 51 Ca 0.15 -0.13 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 2iie h GLU 51 Cb 0.33 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2iie h GLU 51 CO 0.00 0.61 -0.41 0.52 -1.00 0.00 0.00 179.01 178.73 2iie h MET 52 N 0.30 0.40 0.05 2.33 2.86 -1.17 -1.50 114.93 118.20 2iie h MET 52 Ca 0.04 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.48 2iie h MET 52 Cb 0.68 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.35 2iie h MET 52 CO 0.05 0.75 -0.02 0.77 1.06 0.00 0.00 176.91 179.52 2iie h SER 53 N 0.33 -0.06 -0.84 1.22 0.02 -0.94 -2.63 113.55 110.66 2iie h SER 53 Ca 0.03 -0.59 0.16 0.00 -0.84 0.00 0.00 61.79 60.55 2iie h SER 53 Cb 0.87 0.01 -0.10 0.00 0.14 0.00 0.00 62.40 63.33 2iie h SER 53 CO 0.07 0.61 0.39 -0.08 -1.14 0.00 0.00 176.83 176.69 2iie h GLU 54 N -0.78 0.52 -0.70 3.45 4.57 -1.00 -0.42 114.58 120.22 2iie h GLU 54 Ca -0.01 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 2iie h GLU 54 Cb 0.64 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.08 2iie h GLU 54 CO 0.01 0.34 0.38 -0.92 -1.18 0.00 0.00 179.01 177.64 2iie h TYR 55 N 0.53 0.97 0.00 0.92 3.20 -1.28 -0.74 116.97 120.57 2iie h TYR 55 Ca 0.47 -0.03 -0.06 0.00 3.14 0.00 0.00 58.73 62.25 2iie h TYR 55 Cb 0.73 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 2iie h TYR 55 CO -0.12 0.69 -0.31 -0.07 -1.64 0.00 0.00 178.16 176.72 2iie h LEU 56 N 0.97 0.00 0.32 2.82 3.38 -0.73 0.81 115.31 122.87 2iie h LEU 56 Ca 0.25 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 2iie h LEU 56 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2iie h LEU 56 CO -0.04 0.31 -0.15 0.15 0.09 0.00 0.00 178.44 178.79 2iie h PHE 57 N 0.00 -0.40 -0.18 1.13 3.57 -0.53 0.73 116.94 121.27 2iie h PHE 57 Ca -0.00 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.51 2iie h PHE 57 Cb 0.62 0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.45 2iie h PHE 57 CO 0.00 -0.25 -0.24 -0.44 -2.23 0.00 0.00 178.31 175.15 2iie h ASP 58 N -0.60 -0.80 0.30 0.41 5.19 -1.06 0.69 116.42 120.55 2iie h ASP 58 Ca -0.04 0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.46 2iie h ASP 58 Cb 0.33 0.33 0.00 0.00 0.18 0.00 0.00 39.33 40.17 2iie h ASP 58 CO 0.07 -0.17 -0.15 0.50 -3.12 0.00 0.00 179.24 176.37 2iie h LYS 59 N -0.17 -0.39 -0.01 3.56 1.63 -0.95 -3.30 116.57 116.95 2iie h LYS 59 Ca 0.03 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 2iie h LYS 59 Cb 0.25 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 2iie h LYS 59 CO -0.26 -0.23 -0.58 1.28 -3.45 0.00 0.00 179.45 176.21 2iie n LEU 60 N -5.25 1.34 -2.50 5.20 4.77 0.23 -4.97 117.00 115.82 2iie n LEU 60 Ca -0.10 -0.48 -0.16 0.00 -0.03 0.00 0.00 56.01 55.23 2iie n LEU 60 Cb 0.19 -0.06 0.05 0.00 -2.33 0.00 0.00 43.42 41.27 2iie n LEU 60 CO 0.35 0.27 0.13 0.61 -1.33 0.00 0.00 177.39 177.42 2iie n GLY 61 N 1.44 -0.08 3.91 -0.72 0.00 0.24 -4.99 105.19 104.98 2iie n GLY 61 Ca 0.08 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 2iie n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2iie s LEU 62 N -5.17 4.26 0.39 0.99 1.43 -1.21 -5.01 118.68 114.36 2iie s LEU 62 Ca 0.36 0.54 -0.27 0.00 -1.03 0.00 0.00 54.13 53.72 2iie s LEU 62 Cb -0.16 -3.27 -0.10 0.00 0.03 0.00 0.00 46.19 42.69 2iie s LEU 62 CO 0.44 0.03 1.46 -1.54 0.23 0.00 0.00 176.35 176.97 2iie n SER 63 N -0.09 3.59 0.31 2.29 3.41 -1.26 -4.35 113.62 117.52 2iie n SER 63 Ca -0.03 1.20 0.18 0.00 -0.26 0.00 0.00 58.87 59.96 2iie n SER 63 Cb 0.52 -1.61 1.03 0.00 -0.26 0.00 0.00 64.21 63.89 2iie n SER 63 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2iie h LYS 64 N 2.74 0.00 0.03 4.33 1.57 -1.96 -1.70 116.57 121.59 2iie h LYS 64 Ca -0.50 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.04 2iie h LYS 64 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 2iie h LYS 64 CO 0.63 0.00 -1.01 -0.09 -0.57 0.00 0.00 179.45 178.41 2iie h ARG 65 N 0.00 0.37 0.12 3.15 2.43 -1.99 -3.11 114.38 115.35 2iie h ARG 65 Ca 0.01 -0.44 -0.27 0.00 -0.81 0.00 0.00 59.98 58.46 2iie h ARG 65 Cb 0.08 0.14 0.01 0.00 -0.42 0.00 0.00 29.97 29.78 2iie h ARG 65 CO -0.00 1.13 -1.21 -0.44 -1.51 0.00 0.00 179.97 177.94 2iie h ASP 66 N 0.19 0.56 -0.50 -3.80 3.45 -1.70 -2.83 116.42 111.79 2iie h ASP 66 Ca -0.09 -0.55 -0.02 0.00 0.43 0.00 0.00 57.03 56.80 2iie h ASP 66 Cb 1.67 -0.18 -0.03 0.00 -0.56 0.00 0.00 39.33 40.23 2iie h ASP 66 CO 0.17 1.40 0.25 0.00 -1.57 0.00 0.00 179.24 179.49 2iie h ALA 67 N 0.53 1.43 -0.22 3.45 0.00 -1.45 -1.00 119.26 122.00 2iie h ALA 67 Ca -0.14 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 2iie h ALA 67 Cb 1.90 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 2iie h ALA 67 CO 0.21 0.45 -0.27 -0.22 0.00 0.00 0.00 179.25 179.42 2iie h LYS 68 N 0.75 0.57 -0.46 0.00 1.63 -1.54 -1.12 116.57 116.40 2iie h LYS 68 Ca 0.19 -0.32 -0.09 0.00 -0.85 0.00 0.00 60.65 59.58 2iie h LYS 68 Cb 0.10 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.73 2iie h LYS 68 CO -0.02 0.92 -0.06 1.49 -3.45 0.00 0.00 179.45 178.32 2iie h GLU 69 N 0.26 0.81 -0.02 1.90 4.81 -1.23 -2.70 114.58 118.42 2iie h GLU 69 Ca 0.03 -0.25 -0.00 0.00 -0.13 0.00 0.00 59.36 59.01 2iie h GLU 69 Cb 0.84 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.14 2iie h GLU 69 CO 0.06 0.86 -0.00 -0.07 -0.73 0.00 0.00 179.01 179.13 2iie h LEU 70 N 0.74 0.03 -0.60 1.64 3.38 -1.14 -0.89 115.31 118.47 2iie h LEU 70 Ca 0.13 -0.36 0.07 0.00 0.09 0.00 0.00 57.88 57.82 2iie h LEU 70 Cb 0.54 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 2iie h LEU 70 CO 0.03 0.39 0.27 0.58 0.09 0.00 0.00 178.44 179.80 2iie h VAL 71 N -0.32 0.86 -0.37 1.22 2.07 -1.20 0.35 116.25 118.86 2iie h VAL 71 Ca 0.00 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 2iie h VAL 71 Cb 0.37 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 2iie h VAL 71 CO 0.00 0.09 0.12 -0.08 0.02 0.00 0.00 177.57 177.72 2iie h GLU 72 N 0.49 0.56 -0.43 1.57 4.22 -1.46 -2.80 114.58 116.74 2iie h GLU 72 Ca 0.29 -0.12 -0.09 0.00 0.08 0.00 0.00 59.36 59.52 2iie h GLU 72 Cb 0.28 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2iie h GLU 72 CO -0.24 0.57 -0.10 1.25 -2.18 0.00 0.00 179.01 178.31 2iie h LEU 73 N 0.44 0.75 -0.10 1.64 6.46 -0.55 -0.41 115.31 123.54 2iie h LEU 73 Ca 0.12 -0.22 0.04 0.00 -0.12 0.00 0.00 57.88 57.70 2iie h LEU 73 Cb 0.24 -0.20 -0.05 0.00 -0.73 0.00 0.00 40.66 39.91 2iie h LEU 73 CO -0.01 0.88 -0.22 0.15 -0.62 0.00 0.00 178.44 178.63 2iie h PHE 74 N 0.70 -0.59 0.00 1.25 3.57 -0.09 0.39 116.94 122.18 2iie h PHE 74 Ca 0.12 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.53 2iie h PHE 74 Cb 0.57 0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 2iie h PHE 74 CO 0.03 -0.30 -0.55 0.74 -2.23 0.00 0.00 178.31 176.00 2iie h PHE 75 N -0.29 0.00 -0.35 0.41 0.04 -1.36 -2.86 116.94 112.53 2iie h PHE 75 Ca 0.09 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.80 2iie h PHE 75 Cb 0.43 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.57 2iie h PHE 75 CO -0.31 0.55 -0.03 1.49 -0.60 0.00 0.00 178.31 179.40 2iie h GLU 76 N 0.00 0.63 -0.85 1.51 4.57 -0.25 -2.10 114.58 118.09 2iie h GLU 76 Ca -0.01 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 57.95 2iie h GLU 76 Cb 1.07 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.57 2iie h GLU 76 CO 0.07 0.77 0.51 0.93 -1.18 0.00 0.00 179.01 180.11 2iie h GLU 77 N 0.43 1.16 -0.38 1.92 4.39 -0.17 -0.36 114.58 121.58 2iie h GLU 77 Ca 0.09 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 2iie h GLU 77 Cb 0.50 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 2iie h GLU 77 CO 0.02 0.82 0.14 0.82 -1.16 0.00 0.00 179.01 179.65 2iie h ILE 78 N 1.18 1.20 -0.67 3.13 2.04 -1.32 -1.64 117.51 121.42 2iie h ILE 78 Ca 0.31 -0.63 0.02 0.00 1.00 0.00 0.00 64.86 65.56 2iie h ILE 78 Cb -0.04 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 2iie h ILE 78 CO -0.06 0.22 0.44 0.03 0.00 0.00 0.00 178.15 178.78 2iie h ARG 79 N 0.46 0.85 -0.73 2.37 3.08 -0.80 -1.85 114.38 117.76 2iie h ARG 79 Ca 0.12 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 2iie h ARG 79 Cb 0.21 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 2iie h ARG 79 CO -0.01 0.56 0.44 0.00 -1.07 0.00 0.00 179.97 179.90 2iie h ARG 80 N 0.88 0.98 -0.01 0.04 3.08 -0.79 0.15 114.38 118.72 2iie h ARG 80 Ca 0.26 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 2iie h ARG 80 Cb -0.06 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 29.78 2iie h ARG 80 CO -0.07 0.69 -0.00 0.00 -1.07 0.00 0.00 179.97 179.51 2iie h ALA 81 N 1.49 0.01 -0.19 0.04 0.00 -0.65 -2.58 119.26 117.38 2iie h ALA 81 Ca 0.26 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2iie h ALA 81 Cb -0.05 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2iie h ALA 81 CO -0.05 -0.32 0.08 -0.07 0.00 0.00 0.00 179.25 178.89 2iie h LEU 82 N -0.33 0.27 -1.95 0.00 3.38 -1.13 0.17 115.31 115.73 2iie h LEU 82 Ca 0.00 -0.17 0.08 0.00 0.09 0.00 0.00 57.88 57.88 2iie h LEU 82 Cb 0.35 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2iie h LEU 82 CO 0.00 0.36 0.21 1.05 0.09 0.00 0.00 178.44 180.16 2iie h GLU 83 N 0.16 0.06 -0.06 1.13 4.11 -0.71 0.53 114.58 119.79 2iie h GLU 83 Ca 0.06 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.49 2iie h GLU 83 Cb 0.18 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2iie h GLU 83 CO -0.00 0.04 0.00 0.09 0.07 0.00 0.00 179.01 179.20 2iie n ASN 84 N -4.46 0.49 0.00 3.06 3.02 -0.97 -4.81 115.26 111.59 2iie n ASN 84 Ca 0.04 -1.60 0.00 0.00 -0.03 0.00 0.00 54.58 52.99 2iie n ASN 84 Cb 0.34 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.47 2iie n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2iie n GLY 85 N 0.84 0.67 3.82 7.41 0.00 0.18 -5.04 105.19 113.07 2iie n GLY 85 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 2iie n GLY 85 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2iie s GLU 86 N -0.27 3.97 0.10 1.61 2.02 0.58 -4.91 118.70 121.79 2iie s GLU 86 Ca 0.00 0.40 -0.28 0.00 0.02 0.00 0.00 54.97 55.12 2iie s GLU 86 Cb 0.00 -3.25 -0.06 0.00 0.10 0.00 0.00 34.13 30.92 2iie s GLU 86 CO 0.00 0.63 0.88 -1.14 0.02 0.00 0.00 175.26 175.64 2iie s GLN 87 N -0.86 4.62 -0.25 1.61 0.74 -1.17 -3.26 119.66 121.09 2iie s GLN 87 Ca 0.24 1.29 -0.07 0.00 0.05 0.00 0.00 55.36 56.87 2iie s GLN 87 Cb -0.16 -3.36 -0.02 0.00 1.10 0.00 0.00 33.01 30.56 2iie s GLN 87 CO 0.13 0.28 0.06 0.08 -0.55 0.00 0.00 175.29 175.29 2iie s VAL 88 N -0.16 4.19 -0.31 1.34 1.01 -0.79 0.99 120.40 126.68 2iie s VAL 88 Ca 0.43 -0.27 -0.00 0.00 0.00 0.00 0.00 61.98 62.14 2iie s VAL 88 Cb -0.22 -2.98 0.07 0.00 0.00 0.00 0.00 36.38 33.24 2iie s VAL 88 CO 0.27 0.31 0.01 -0.54 0.00 0.00 0.00 175.10 175.15 2iie s LYS 89 N 1.59 2.19 -0.70 2.72 1.02 0.28 -0.29 119.74 126.55 2iie s LYS 89 Ca 0.06 -1.45 -0.14 0.00 0.02 0.00 0.00 55.97 54.46 2iie s LYS 89 Cb -0.15 -3.18 0.18 0.00 -0.52 0.00 0.00 37.83 34.16 2iie s LYS 89 CO 0.03 -0.72 0.64 -0.51 -0.92 0.00 0.00 175.35 173.87 2iie s LEU 90 N 1.15 6.42 0.16 3.17 1.43 -0.75 -2.34 118.68 127.92 2iie s LEU 90 Ca -0.02 -2.39 -0.33 0.00 -1.03 0.00 0.00 54.13 50.37 2iie s LEU 90 Cb -0.20 -2.17 -0.16 0.00 0.03 0.00 0.00 46.19 43.69 2iie s LEU 90 CO -0.03 -0.65 1.13 -0.24 0.23 0.00 0.00 176.35 176.78 2iie n SER 91 N 4.38 1.14 0.00 2.29 2.88 -1.26 -1.28 113.62 121.76 2iie n SER 91 Ca 0.04 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 2iie n SER 91 Cb 0.44 -1.19 0.00 0.00 -0.75 0.00 0.00 64.21 62.71 2iie n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2iie n GLY 92 N 1.98 0.86 0.30 0.46 0.00 -1.26 -4.82 105.19 102.70 2iie n GLY 92 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2iie n GLY 92 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2iie n PHE 93 N -2.01 0.00 0.00 1.61 7.35 -0.41 -4.31 117.46 119.70 2iie n PHE 93 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2iie n PHE 93 Cb 0.00 0.06 0.00 0.00 0.35 0.00 0.00 39.48 39.89 2iie n PHE 93 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2iie n GLY 94 N 2.11 -0.74 3.44 7.13 0.00 -0.88 -0.24 105.19 116.01 2iie n GLY 94 Ca 0.00 -1.01 -0.33 0.00 0.00 0.00 0.00 46.02 44.69 2iie n GLY 94 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2iie s ASN 95 N 0.00 3.90 -0.41 1.61 0.01 -0.14 -1.81 114.94 118.11 2iie s ASN 95 Ca 0.00 -0.25 -0.15 0.00 -0.71 0.00 0.00 52.86 51.74 2iie s ASN 95 Cb 0.00 -0.94 0.02 0.00 0.41 0.00 0.00 41.25 40.74 2iie s ASN 95 CO 0.00 0.31 0.33 -0.36 -1.51 0.00 0.00 177.10 175.87 2iie s PHE 96 N -0.52 3.22 0.30 2.20 0.40 0.61 -0.12 117.98 124.07 2iie s PHE 96 Ca 0.07 -0.52 0.07 0.00 -0.60 0.00 0.00 56.93 55.95 2iie s PHE 96 Cb -0.12 -2.65 -0.03 0.00 0.51 0.00 0.00 43.02 40.73 2iie s PHE 96 CO 0.01 -0.60 0.28 -0.51 0.70 0.00 0.00 175.22 175.10 2iie s ASP 97 N 1.71 5.49 -0.09 1.36 1.01 0.14 -1.88 116.67 124.41 2iie s ASP 97 Ca 0.07 -0.35 0.02 0.00 0.71 0.00 0.00 52.55 53.00 2iie s ASP 97 Cb -0.18 -1.20 -0.02 0.00 1.01 0.00 0.00 42.92 42.53 2iie s ASP 97 CO 0.11 -0.24 -0.15 -0.76 0.21 0.00 0.00 175.17 174.34 2iie s LEU 98 N -3.96 2.65 -0.04 1.23 1.43 -1.26 -0.50 118.68 118.24 2iie s LEU 98 Ca 0.38 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 53.21 2iie s LEU 98 Cb -0.07 -1.56 0.01 0.00 0.03 0.00 0.00 46.19 44.60 2iie s LEU 98 CO 0.27 0.25 -0.09 -0.13 0.23 0.00 0.00 176.35 176.87 2iie s ARG 99 N -0.13 1.14 -0.26 1.70 0.52 -0.23 -4.95 118.95 116.73 2iie s ARG 99 Ca -0.01 -0.30 -0.19 0.00 -0.52 0.00 0.00 55.73 54.71 2iie s ARG 99 Cb -0.14 -1.03 -0.02 0.00 0.52 0.00 0.00 34.95 34.28 2iie s ARG 99 CO 0.03 0.05 0.58 -0.51 0.02 0.00 0.00 175.30 175.48 2iie s ASP 100 N 0.46 6.51 -0.08 0.23 1.01 -1.26 -0.48 116.67 123.07 2iie s ASP 100 Ca -0.08 0.62 -0.00 0.00 0.71 0.00 0.00 52.55 53.79 2iie s ASP 100 Cb -0.12 -2.31 -0.03 0.00 1.01 0.00 0.00 42.92 41.47 2iie s ASP 100 CO 0.01 -0.34 -0.04 -0.54 0.21 0.00 0.00 175.17 174.47 2iie s LYS 101 N 2.43 2.87 0.50 8.23 -0.14 0.37 -4.97 119.74 129.03 2iie s LYS 101 Ca 0.24 -0.49 -0.05 0.00 -1.36 0.00 0.00 55.97 54.31 2iie s LYS 101 Cb -0.16 -2.69 -0.03 0.00 -1.68 0.00 0.00 37.83 33.28 2iie s LYS 101 CO 0.09 0.67 0.81 -0.80 -0.76 0.00 0.00 175.35 175.36 2iie s ASN 102 N -0.81 6.10 0.45 2.83 0.01 -1.26 -0.74 114.94 121.52 2iie s ASN 102 Ca 0.12 0.86 -0.25 0.00 -0.71 0.00 0.00 52.86 52.88 2iie s ASN 102 Cb -0.11 -2.11 -0.08 0.00 0.41 0.00 0.00 41.25 39.36 2iie s ASN 102 CO 0.02 -0.69 1.43 -1.58 -1.51 0.00 0.00 177.10 174.77 2iie s GLN 103 N -4.79 3.71 0.02 -0.60 0.74 -1.26 -4.57 119.66 112.90 2iie s GLN 103 Ca 0.49 2.42 -0.13 0.00 0.05 0.00 0.00 55.36 58.19 2iie s GLN 103 Cb -0.10 -2.67 0.02 0.00 1.10 0.00 0.00 33.01 31.35 2iie s GLN 103 CO 0.45 -0.80 0.27 -0.98 -0.55 0.00 0.00 175.29 173.67 2iie s ARG 104 N -2.43 0.70 0.24 1.67 1.70 -0.69 -4.95 118.95 115.19 2iie s ARG 104 Ca 0.61 -0.40 -0.31 0.00 -0.47 0.00 0.00 55.73 55.15 2iie s ARG 104 Cb -0.44 0.30 -0.13 0.00 -0.57 0.00 0.00 34.95 34.12 2iie s ARG 104 CO 0.56 -0.20 1.50 -0.35 -1.08 0.00 0.00 175.30 175.73 2iie n PRO 105 N 0.94 2.27 0.00 3.89 -0.04 -1.26 -0.41 135.00 140.39 2iie n PRO 105 Ca -0.20 0.81 0.00 0.00 -0.04 0.00 0.00 63.50 64.07 2iie n PRO 105 Cb 0.58 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 2iie n PRO 105 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2iie n GLY 106 N 2.40 5.33 0.00 0.55 0.00 -1.12 -4.73 105.19 107.62 2iie n GLY 106 Ca 0.12 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.77 2iie n GLY 106 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2iie n ARG 107 N 0.00 -0.70 -2.91 1.61 1.85 -0.87 -2.28 116.66 113.35 2iie n ARG 107 Ca 0.00 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.42 2iie n ARG 107 Cb 0.00 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.37 2iie n ARG 107 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 2iie s ASN 108 N 0.00 6.27 0.58 2.89 3.84 -0.79 -4.77 114.94 122.97 2iie s ASN 108 Ca 0.00 -0.64 0.31 0.00 0.21 0.00 0.00 52.86 52.74 2iie s ASN 108 Cb 0.00 -2.40 1.38 0.00 -0.55 0.00 0.00 41.25 39.68 2iie s ASN 108 CO 0.00 -1.21 1.73 -0.65 -2.79 0.00 0.00 177.10 174.18 2iie h PRO 109 N 9.31 0.00 0.03 0.43 0.11 -1.93 1.36 132.00 141.31 2iie h PRO 109 Ca -0.27 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.70 2iie h PRO 109 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2iie h PRO 109 CO 1.09 0.00 -0.76 0.87 -0.21 0.00 0.00 178.00 178.99 2iie h LYS 110 N 0.00 0.05 0.13 1.05 1.79 -1.99 -3.40 116.57 114.21 2iie h LYS 110 Ca 0.38 -0.09 -0.33 0.00 -2.18 0.00 0.00 60.65 58.42 2iie h LYS 110 Cb 1.90 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 32.58 2iie h LYS 110 CO -0.00 1.04 -1.72 1.79 -1.08 0.00 0.00 179.45 179.48 2iie h THR 111 N -0.86 0.94 0.00 -0.16 1.35 -1.81 -3.48 112.91 108.89 2iie h THR 111 Ca -0.19 -2.60 0.00 0.00 -0.55 0.00 0.00 66.41 63.07 2iie h THR 111 Cb 1.27 2.68 0.00 0.00 -1.73 0.00 0.00 68.15 70.37 2iie h THR 111 CO -0.07 0.82 0.00 0.61 -0.25 0.00 0.00 175.52 176.63 2iie n GLY 112 N 1.79 3.40 3.68 5.82 0.00 0.46 -5.00 105.19 115.33 2iie n GLY 112 Ca -0.23 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.33 2iie n GLY 112 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2iie n GLU 113 N -1.88 2.23 -1.68 1.61 0.28 -1.26 -4.54 120.64 115.40 2iie n GLU 113 Ca 0.00 0.81 -0.44 0.00 -0.16 0.00 0.00 57.16 57.37 2iie n GLU 113 Cb 0.00 -2.62 -0.02 0.00 1.43 0.00 0.00 31.44 30.23 2iie n GLU 113 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2iie n ASP 114 N 4.70 2.71 -3.33 -1.84 8.00 -1.26 -1.88 116.55 123.65 2iie n ASP 114 Ca 0.19 1.16 -0.08 0.00 0.71 0.00 0.00 54.79 56.77 2iie n ASP 114 Cb 0.30 -1.44 -0.07 0.00 -0.02 0.00 0.00 41.12 39.89 2iie n ASP 114 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2iie s ILE 115 N -0.38 -0.64 0.48 0.53 1.01 -0.97 -4.84 121.20 116.39 2iie s ILE 115 Ca 0.64 -0.08 -0.24 0.00 0.00 0.00 0.00 60.65 60.97 2iie s ILE 115 Cb -0.63 -0.85 -0.07 0.00 0.01 0.00 0.00 42.46 40.92 2iie s ILE 115 CO 0.53 -0.13 1.39 -0.81 0.00 0.00 0.00 174.94 175.93 2iie n PRO 116 N 5.37 2.04 -3.00 2.79 -0.04 -1.26 -2.06 135.00 138.84 2iie n PRO 116 Ca -0.03 0.73 -0.43 0.00 -0.04 0.00 0.00 63.50 63.73 2iie n PRO 116 Cb 0.50 -2.59 -0.06 0.00 -0.04 0.00 0.00 33.50 31.32 2iie n PRO 116 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2iie s ILE 117 N -1.22 4.67 0.76 0.52 1.01 0.45 -4.81 121.20 122.57 2iie s ILE 117 Ca 0.64 0.16 -0.15 0.00 0.00 0.00 0.00 60.65 61.30 2iie s ILE 117 Cb -0.44 -4.34 0.02 0.00 0.01 0.00 0.00 42.46 37.71 2iie s ILE 117 CO 0.55 -0.79 0.96 0.35 0.00 0.00 0.00 174.94 176.01 2iie n THR 118 N 5.99 2.39 -2.25 2.92 -2.24 -1.26 -1.71 114.28 118.13 2iie n THR 118 Ca -0.00 -0.32 -0.38 0.00 -2.27 0.00 0.00 64.05 61.07 2iie n THR 118 Cb 0.47 -1.07 -0.02 0.00 -2.10 0.00 0.00 70.33 67.62 2iie n THR 118 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2iie s ALA 119 N -1.93 3.14 0.21 6.98 0.00 -1.26 -4.54 121.76 124.36 2iie s ALA 119 Ca 0.72 1.01 -0.22 0.00 0.00 0.00 0.00 51.96 53.46 2iie s ALA 119 Cb -0.32 -3.40 0.07 0.00 0.00 0.00 0.00 23.12 19.46 2iie s ALA 119 CO 0.52 -0.60 0.96 -0.98 0.00 0.00 0.00 175.76 175.65 2iie s ARG 120 N -2.35 1.45 -0.12 0.00 1.70 0.08 -4.93 118.95 114.79 2iie s ARG 120 Ca 0.58 -0.89 0.02 0.00 -0.47 0.00 0.00 55.73 54.96 2iie s ARG 120 Cb -0.32 0.44 -0.01 0.00 -0.57 0.00 0.00 34.95 34.49 2iie s ARG 120 CO 0.40 -0.68 -0.18 0.50 -1.08 0.00 0.00 175.30 174.26 2iie s ARG 121 N -2.63 3.23 0.26 3.89 3.52 -1.26 0.14 118.95 126.10 2iie s ARG 121 Ca 0.17 -0.77 0.12 0.00 -0.13 0.00 0.00 55.73 55.12 2iie s ARG 121 Cb -0.03 -2.49 -0.05 0.00 -1.56 0.00 0.00 34.95 30.83 2iie s ARG 121 CO 0.05 0.19 -0.18 0.14 -0.81 0.00 0.00 175.30 174.69 2iie s VAL 122 N 0.36 2.58 -0.20 7.11 -7.23 0.37 -3.97 120.40 119.42 2iie s VAL 122 Ca -0.14 -2.29 -0.10 0.00 -1.81 0.00 0.00 61.98 57.63 2iie s VAL 122 Cb -0.17 -2.34 -0.05 0.00 0.56 0.00 0.00 36.38 34.38 2iie s VAL 122 CO 0.07 -0.35 0.13 -0.69 -0.31 0.00 0.00 175.10 173.94 2iie s VAL 123 N -2.36 5.39 0.15 1.32 1.01 -1.26 -1.07 120.40 123.59 2iie s VAL 123 Ca 0.29 0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.52 2iie s VAL 123 Cb -0.06 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 2iie s VAL 123 CO 0.15 0.44 -0.16 0.42 0.00 0.00 0.00 175.10 175.95 2iie s THR 124 N 0.37 1.59 -0.14 3.92 -4.23 0.35 -4.69 115.64 112.81 2iie s THR 124 Ca 0.08 -1.87 0.02 0.00 -1.18 0.00 0.00 61.69 58.74 2iie s THR 124 Cb -0.11 -1.74 0.01 0.00 1.34 0.00 0.00 72.50 72.01 2iie s THR 124 CO -0.02 -0.40 -0.20 0.12 -0.54 0.00 0.00 174.62 173.58 2iie s PHE 125 N -2.21 2.57 -0.37 3.99 5.36 -1.26 0.23 117.98 126.29 2iie s PHE 125 Ca 0.14 -1.32 -0.09 0.00 -0.96 0.00 0.00 56.93 54.69 2iie s PHE 125 Cb -0.05 -1.77 0.04 0.00 -0.34 0.00 0.00 43.02 40.91 2iie s PHE 125 CO 0.05 -0.62 0.18 1.03 -1.46 0.00 0.00 175.22 174.40 2iie s ARG 126 N 0.93 2.73 0.30 10.12 1.81 0.82 -4.78 118.95 130.88 2iie s ARG 126 Ca -0.05 -1.15 -0.29 0.00 -1.72 0.00 0.00 55.73 52.51 2iie s ARG 126 Cb -0.15 -3.66 -0.11 0.00 -0.45 0.00 0.00 34.95 30.58 2iie s ARG 126 CO -0.04 -0.72 1.51 -2.14 -0.68 0.00 0.00 175.30 173.24 2iie s PRO 127 N 1.50 4.17 0.88 3.54 0.02 -1.26 -0.96 135.00 142.88 2iie s PRO 127 Ca 0.01 2.48 -0.13 0.00 0.02 0.00 0.00 61.00 63.39 2iie s PRO 127 Cb -0.20 -3.04 0.12 0.00 0.02 0.00 0.00 34.50 31.41 2iie s PRO 127 CO 0.05 -0.53 1.17 0.20 -0.33 0.00 0.00 177.00 177.57 2iie s GLY 128 N 0.25 1.60 0.14 0.52 0.00 0.67 -4.84 107.32 105.66 2iie s GLY 128 Ca 0.59 -0.66 -0.11 0.00 0.00 0.00 0.00 44.72 44.55 2iie s GLY 128 CO 0.51 -0.10 1.46 1.46 0.00 0.00 0.00 173.10 176.43 2iie h GLN 129 N -1.36 0.92 -0.12 2.90 1.08 -1.94 0.14 115.11 116.72 2iie h GLN 129 Ca -0.48 -0.50 0.05 0.00 -1.45 0.00 0.00 58.65 56.26 2iie h GLN 129 Cb 1.32 0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 28.72 2iie h GLN 129 CO 0.60 1.15 -0.29 -0.22 -0.95 0.00 0.00 178.83 179.13 2iie h LYS 130 N 0.74 -0.35 -0.32 1.46 1.63 -1.90 0.54 116.57 118.37 2iie h LYS 130 Ca 0.05 0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.84 2iie h LYS 130 Cb 1.02 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.72 2iie h LYS 130 CO 0.10 -0.24 0.07 1.25 -3.45 0.00 0.00 179.45 177.18 2iie h LEU 131 N -0.37 0.49 -1.22 5.20 5.85 -1.73 -2.70 115.31 120.82 2iie h LEU 131 Ca 0.10 -0.24 0.08 0.00 0.84 0.00 0.00 57.88 58.65 2iie h LEU 131 Cb 0.51 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.36 2iie h LEU 131 CO -0.33 0.61 0.56 0.11 -0.34 0.00 0.00 178.44 179.05 2iie h LYS 132 N 0.35 0.88 -0.23 1.25 1.57 -0.43 -1.92 116.57 118.04 2iie h LYS 132 Ca 0.10 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2iie h LYS 132 Cb 0.32 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2iie h LYS 132 CO 0.00 0.58 0.08 0.77 -0.57 0.00 0.00 179.45 180.31 2iie h SER 133 N 0.91 0.33 -0.95 0.86 0.02 -0.73 -2.16 113.55 111.84 2iie h SER 133 Ca 0.38 -0.20 0.05 0.00 -0.84 0.00 0.00 61.79 61.18 2iie h SER 133 Cb 0.29 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 62.68 2iie h SER 133 CO -0.14 0.44 0.62 0.03 -1.14 0.00 0.00 176.83 176.63 2iie h ARG 134 N 0.21 1.10 -0.04 3.45 3.08 -1.08 0.63 114.38 121.73 2iie h ARG 134 Ca 0.07 -0.07 -0.17 0.00 0.07 0.00 0.00 59.98 59.89 2iie h ARG 134 Cb 0.22 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 2iie h ARG 134 CO -0.00 0.73 -0.73 0.28 -1.07 0.00 0.00 179.97 179.18 2iie h VAL 135 N 1.13 1.44 0.18 2.04 2.07 -1.17 0.13 116.25 122.06 2iie h VAL 135 Ca 0.39 -2.28 -0.31 0.00 0.82 0.00 0.00 66.70 65.32 2iie h VAL 135 Cb 0.11 2.22 0.01 0.00 -1.52 0.00 0.00 31.29 32.11 2iie h VAL 135 CO -0.14 0.67 -1.52 1.05 0.02 0.00 0.00 177.57 177.65 2iie h GLU 136 N 0.14 0.38 0.54 1.57 4.11 -1.08 -2.39 114.58 117.85 2iie h GLU 136 Ca -0.02 -0.65 -0.03 0.00 0.07 0.00 0.00 59.36 58.73 2iie h GLU 136 Cb 1.29 0.24 0.01 0.00 0.50 0.00 0.00 28.75 30.79 2iie h GLU 136 CO 0.11 1.31 -0.26 -0.91 0.07 0.00 0.00 179.01 179.33 2iie h ASN 137 N -0.04 -0.62 -0.71 3.06 -0.26 0.23 -3.10 115.58 114.15 2iie h ASN 137 Ca -0.30 0.02 -0.06 0.00 -0.56 0.00 0.00 56.30 55.40 2iie h ASN 137 Cb 1.98 0.16 -0.03 0.00 -1.06 0.00 0.00 38.32 39.37 2iie h ASN 137 CO 0.17 -0.43 0.20 0.00 -1.06 0.00 0.00 177.43 176.30 2iie h ALA 138 N -0.28 0.93 0.00 -0.83 0.00 -0.90 -3.48 119.26 114.70 2iie h ALA 138 Ca -0.07 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2iie h ALA 138 Cb 0.57 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2iie h ALA 138 CO 0.12 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.41 2iie n GLY 139 N -0.72 1.96 0.00 0.00 0.00 -0.92 -4.91 105.19 100.61 2iie n GLY 139 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2iie n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2iie n GLY 140 N -0.32 2.13 0.00 -0.02 0.00 -0.81 -4.80 105.19 101.38 2iie n GLY 140 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.93 2iie n GLY 140 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2iie n GLY 141 N 1.55 1.93 2.85 -0.02 0.00 -0.31 -4.75 105.19 106.42 2iie n GLY 141 Ca 0.00 -0.75 -0.16 0.00 0.00 0.00 0.00 46.02 45.11 2iie n GLY 141 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2iie n GLU 142 N 0.00 0.33 -2.91 1.61 -0.58 -0.61 -4.85 120.64 113.62 2iie n GLU 142 Ca 0.00 -2.11 -0.19 0.00 -0.42 0.00 0.00 57.16 54.44 2iie n GLU 142 Cb 0.00 -0.36 0.04 0.00 -0.57 0.00 0.00 31.44 30.55 2iie n GLU 142 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 2iie s ARG 143 N -4.20 2.53 -0.04 3.49 1.70 -1.26 -4.04 118.95 117.13 2iie s ARG 143 Ca 0.47 -1.26 0.04 0.00 -0.47 0.00 0.00 55.73 54.51 2iie s ARG 143 Cb -0.03 -2.64 -0.00 0.00 -0.57 0.00 0.00 34.95 31.70 2iie s ARG 143 CO 0.31 -0.62 -0.15 0.42 -1.08 0.00 0.00 175.30 174.17 2iie s ILE 144 N -2.58 1.27 -0.20 4.99 1.01 0.14 -0.66 121.20 125.17 2iie s ILE 144 Ca 0.58 -0.63 -0.05 0.00 0.00 0.00 0.00 60.65 60.55 2iie s ILE 144 Cb -0.08 -1.09 0.07 0.00 0.01 0.00 0.00 42.46 41.37 2iie s ILE 144 CO 0.37 0.37 0.11 -0.70 0.00 0.00 0.00 174.94 175.09 2iie s GLU 145 N 0.02 0.10 -0.35 2.79 2.12 -0.70 -0.42 118.70 122.26 2iie s GLU 145 Ca -0.02 -0.14 0.02 0.00 0.36 0.00 0.00 54.97 55.18 2iie s GLU 145 Cb -0.10 -1.64 0.10 0.00 0.26 0.00 0.00 34.13 32.74 2iie s GLU 145 CO 0.01 -0.74 0.09 0.42 -0.54 0.00 0.00 175.26 174.50 2iie s ILE 146 N 2.15 2.62 0.24 -3.70 -1.09 -0.82 -4.56 121.20 116.04 2iie s ILE 146 Ca 0.04 -2.16 -0.31 0.00 -2.23 0.00 0.00 60.65 55.98 2iie s ILE 146 Cb -0.16 -2.84 -0.13 0.00 -1.58 0.00 0.00 42.46 37.75 2iie s ILE 146 CO -0.15 -0.57 1.44 0.54 -1.23 0.00 0.00 174.94 174.98 2iie n ARG 147 N 4.39 2.11 0.00 2.79 5.12 -1.26 -1.52 116.66 128.29 2iie n ARG 147 Ca 0.00 0.75 0.00 0.00 -1.93 0.00 0.00 57.85 56.67 2iie n ARG 147 Cb 0.42 -2.43 0.00 0.00 -1.16 0.00 0.00 32.46 29.29 2iie n ARG 147 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2iie n GLY 148 N 2.26 2.88 0.37 -0.13 0.00 -1.26 -4.78 105.19 104.54 2iie n GLY 148 Ca 0.12 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 2iie n GLY 148 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2iie n PHE 149 N -2.00 0.00 0.00 1.61 7.35 -0.66 -2.20 117.46 121.57 2iie n PHE 149 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2iie n PHE 149 Cb 0.00 -0.25 0.00 0.00 0.35 0.00 0.00 39.48 39.58 2iie n PHE 149 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2iie n GLY 150 N 2.12 -0.13 3.11 7.13 0.00 -0.57 -0.08 105.19 116.76 2iie n GLY 150 Ca -0.07 -1.21 -0.20 0.00 0.00 0.00 0.00 46.02 44.54 2iie n GLY 150 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2iie s SER 151 N 0.00 1.55 -0.11 1.61 1.04 0.03 -1.95 113.70 115.87 2iie s SER 151 Ca 0.00 -0.36 0.01 0.00 0.48 0.00 0.00 55.95 56.08 2iie s SER 151 Cb 0.00 -0.12 -0.02 0.00 0.10 0.00 0.00 66.02 65.98 2iie s SER 151 CO 0.00 0.07 -0.14 -0.36 0.98 0.00 0.00 173.24 173.79 2iie s PHE 152 N -0.64 2.77 0.01 5.02 0.40 0.44 -0.90 117.98 125.08 2iie s PHE 152 Ca 0.02 -0.54 0.00 0.00 -0.60 0.00 0.00 56.93 55.82 2iie s PHE 152 Cb -0.07 -1.78 -0.00 0.00 0.51 0.00 0.00 43.02 41.68 2iie s PHE 152 CO 0.01 -0.12 0.01 -1.13 0.70 0.00 0.00 175.22 174.68 2iie n SER 153 N 3.21 0.04 -4.13 1.36 3.41 -0.24 0.29 113.62 117.56 2iie n SER 153 Ca -0.18 -1.04 -0.29 0.00 -0.26 0.00 0.00 58.87 57.10 2iie n SER 153 Cb 0.53 0.03 -0.17 0.00 -0.26 0.00 0.00 64.21 64.34 2iie n SER 153 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2iie s LEU 154 N 0.00 1.91 0.01 1.04 1.43 -1.26 -0.51 118.68 121.30 2iie s LEU 154 Ca 0.01 -0.47 -0.00 0.00 -1.03 0.00 0.00 54.13 52.64 2iie s LEU 154 Cb 0.00 -1.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.99 2iie s LEU 154 CO 0.01 0.10 0.11 -1.00 0.23 0.00 0.00 176.35 175.79 2iie s HIS 155 N 0.56 3.34 0.05 0.29 3.76 0.37 -4.88 115.29 118.78 2iie s HIS 155 Ca -0.15 0.22 -0.18 0.00 -0.15 0.00 0.00 55.06 54.80 2iie s HIS 155 Cb -0.17 -1.74 -0.06 0.00 1.11 0.00 0.00 32.58 31.72 2iie s HIS 155 CO 0.05 0.57 0.52 -0.47 -0.85 0.00 0.00 174.74 174.56 2iie s TYR 156 N -1.27 3.78 -0.20 1.40 5.04 -1.26 -0.49 117.35 124.35 2iie s TYR 156 Ca 0.25 1.18 0.00 0.00 -2.44 0.00 0.00 57.07 56.07 2iie s TYR 156 Cb -0.12 -2.43 0.02 0.00 0.35 0.00 0.00 41.96 39.78 2iie s TYR 156 CO 0.17 0.61 -0.15 1.03 -1.34 0.00 0.00 175.55 175.86 2iie s ARG 157 N -1.10 2.92 0.62 4.97 1.81 0.83 -4.96 118.95 124.03 2iie s ARG 157 Ca 0.27 -0.89 -0.17 0.00 -1.72 0.00 0.00 55.73 53.22 2iie s ARG 157 Cb -0.19 -2.71 -0.02 0.00 -0.45 0.00 0.00 34.95 31.59 2iie s ARG 157 CO 0.17 -0.28 1.12 0.00 -0.68 0.00 0.00 175.30 175.64 2iie s ALA 158 N 1.29 2.53 0.66 2.13 0.00 -1.26 -2.12 121.76 125.00 2iie s ALA 158 Ca 0.03 0.66 -0.17 0.00 0.00 0.00 0.00 51.96 52.48 2iie s ALA 158 Cb -0.14 -3.34 -0.00 0.00 0.00 0.00 0.00 23.12 19.63 2iie s ALA 158 CO -0.10 -1.13 1.23 -1.25 0.00 0.00 0.00 175.76 174.51 2iie s PRO 159 N -3.80 2.55 0.04 0.00 0.04 -1.26 -4.61 135.00 127.95 2iie s PRO 159 Ca 0.69 1.85 -0.27 0.00 0.04 0.00 0.00 61.00 63.32 2iie s PRO 159 Cb -0.22 -1.87 0.09 0.00 0.04 0.00 0.00 34.50 32.54 2iie s PRO 159 CO 0.37 -1.55 0.80 -0.98 0.04 0.00 0.00 177.00 175.68 2iie s ARG 160 N -3.58 0.95 -0.34 4.56 1.70 -0.52 -4.94 118.95 116.78 2iie s ARG 160 Ca 0.77 -0.32 -0.21 0.00 -0.47 0.00 0.00 55.73 55.51 2iie s ARG 160 Cb -0.32 0.44 0.00 0.00 -0.57 0.00 0.00 34.95 34.50 2iie s ARG 160 CO 0.40 -0.41 0.67 0.99 -1.08 0.00 0.00 175.30 175.87 2iie s THR 161 N -3.17 4.86 0.55 4.99 2.01 -1.26 -1.31 115.64 122.31 2iie s THR 161 Ca 0.03 0.77 0.07 0.00 0.31 0.00 0.00 61.69 62.87 2iie s THR 161 Cb -0.01 -4.09 0.07 0.00 0.01 0.00 0.00 72.50 68.49 2iie s THR 161 CO -0.09 -0.28 0.59 0.61 -0.69 0.00 0.00 174.62 174.76 2iie n GLY 162 N 4.53 2.35 3.22 4.40 0.00 0.24 -4.88 105.19 115.05 2iie n GLY 162 Ca 0.00 -2.26 -0.21 0.00 0.00 0.00 0.00 46.02 43.55 2iie n GLY 162 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2iie s ARG 163 N -4.37 1.01 -0.24 1.61 1.81 -1.26 0.12 118.95 117.63 2iie s ARG 163 Ca 0.45 -0.99 -0.29 0.00 -1.72 0.00 0.00 55.73 53.18 2iie s ARG 163 Cb -0.04 -1.12 0.01 0.00 -0.45 0.00 0.00 34.95 33.35 2iie s ARG 163 CO 0.29 0.26 1.09 1.21 -0.68 0.00 0.00 175.30 177.46 2iie s ASN 164 N -1.62 7.03 0.01 0.23 3.84 0.10 -4.88 114.94 119.65 2iie s ASN 164 Ca 0.03 1.35 0.10 0.00 0.21 0.00 0.00 52.86 54.54 2iie s ASN 164 Cb -0.09 -2.54 0.42 0.00 -0.55 0.00 0.00 41.25 38.49 2iie s ASN 164 CO 0.03 -0.74 1.31 -0.81 -2.79 0.00 0.00 177.10 174.10 2iie n PRO 165 N 6.50 0.01 -0.08 0.43 -0.04 -1.26 0.57 135.00 141.13 2iie n PRO 165 Ca 0.12 0.34 -0.12 0.00 -0.04 0.00 0.00 63.50 63.81 2iie n PRO 165 Cb 0.46 -1.51 -0.08 0.00 -0.04 0.00 0.00 33.50 32.33 2iie n PRO 165 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2iie h LYS 166 N 0.00 0.00 0.00 0.54 3.64 -1.97 -3.40 116.57 115.38 2iie h LYS 166 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2iie h LYS 166 Cb 0.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 2iie h LYS 166 CO 0.00 0.60 -1.13 0.25 -2.27 0.00 0.00 179.45 176.89 2iie n THR 167 N -4.59 0.46 -0.99 1.00 -2.24 -1.19 -4.95 114.28 101.78 2iie n THR 167 Ca -0.15 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 2iie n THR 167 Cb 0.41 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 2iie n THR 167 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2iie n GLY 168 N 1.22 1.02 3.75 3.38 0.00 0.19 -4.99 105.19 109.78 2iie n GLY 168 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2iie n GLY 168 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2iie s ASP 169 N -3.01 6.74 0.66 1.61 1.01 -1.24 -4.61 116.67 117.83 2iie s ASP 169 Ca 0.00 2.62 -0.15 0.00 0.71 0.00 0.00 52.55 55.73 2iie s ASP 169 Cb 0.00 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.30 2iie s ASP 169 CO 0.00 -0.61 1.13 -0.54 0.21 0.00 0.00 175.17 175.36 2iie s LYS 170 N -0.77 2.70 -0.08 8.23 1.02 -1.26 0.01 119.74 129.59 2iie s LYS 170 Ca 0.55 1.49 -0.06 0.00 0.02 0.00 0.00 55.97 57.98 2iie s LYS 170 Cb -0.40 -1.93 0.03 0.00 -0.52 0.00 0.00 37.83 35.01 2iie s LYS 170 CO 0.45 -1.35 0.20 0.54 -0.92 0.00 0.00 175.35 174.28 2iie s VAL 171 N -2.21 -0.02 -0.38 3.17 0.11 0.33 -4.77 120.40 116.63 2iie s VAL 171 Ca 0.69 0.06 -0.19 0.00 -2.93 0.00 0.00 61.98 59.61 2iie s VAL 171 Cb -0.23 -0.30 0.01 0.00 -1.53 0.00 0.00 36.38 34.33 2iie s VAL 171 CO 0.41 0.03 0.57 -0.70 -3.33 0.00 0.00 175.10 172.07 2iie s GLU 172 N 0.54 3.50 -0.19 1.54 2.56 -1.26 0.81 118.70 126.20 2iie s GLU 172 Ca -0.04 -0.22 -0.07 0.00 0.00 0.00 0.00 54.97 54.65 2iie s GLU 172 Cb -0.05 -3.86 -0.04 0.00 2.00 0.00 0.00 34.13 32.19 2iie s GLU 172 CO -0.03 -0.77 0.05 -0.51 -0.56 0.00 0.00 175.26 173.44 2iie s LEU 173 N 2.55 3.66 0.56 2.70 1.43 -0.43 -4.97 118.68 124.17 2iie s LEU 173 Ca 0.20 -0.00 -0.09 0.00 -1.03 0.00 0.00 54.13 53.21 2iie s LEU 173 Cb -0.15 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 2iie s LEU 173 CO 0.15 0.14 0.93 -1.61 0.23 0.00 0.00 176.35 176.19 2iie s GLU 174 N 0.56 3.60 0.87 1.70 2.02 -1.26 -1.44 118.70 124.75 2iie s GLU 174 Ca 0.02 0.56 -0.11 0.00 0.02 0.00 0.00 54.97 55.46 2iie s GLU 174 Cb -0.13 -2.20 0.12 0.00 0.10 0.00 0.00 34.13 32.02 2iie s GLU 174 CO 0.01 -0.41 1.16 0.20 0.02 0.00 0.00 175.26 176.24 2iie s GLY 175 N -4.07 1.83 0.05 -1.39 0.00 -1.26 -4.62 107.32 97.86 2iie s GLY 175 Ca 0.52 0.63 -0.28 0.00 0.00 0.00 0.00 44.72 45.59 2iie s GLY 175 CO 0.49 1.04 1.15 -1.59 0.00 0.00 0.00 173.10 174.19 2iie s LYS 176 N -4.52 0.73 0.06 2.90 -2.85 -0.90 -4.95 119.74 110.21 2iie s LYS 176 Ca 0.68 -0.40 0.06 0.00 -1.00 0.00 0.00 55.97 55.31 2iie s LYS 176 Cb -0.24 0.25 -0.04 0.00 -2.06 0.00 0.00 37.83 35.74 2iie s LYS 176 CO 0.55 -0.33 -0.11 0.71 0.10 0.00 0.00 175.35 176.27 2iie s TYR 177 N -2.78 2.75 -0.01 1.78 2.02 -1.26 -0.12 117.35 119.72 2iie s TYR 177 Ca 0.13 -0.14 0.03 0.00 -0.37 0.00 0.00 57.07 56.72 2iie s TYR 177 Cb 0.02 -1.49 -0.01 0.00 -0.40 0.00 0.00 41.96 40.08 2iie s TYR 177 CO -0.01 0.37 -0.11 0.14 -1.57 0.00 0.00 175.55 174.37 2iie s VAL 178 N -1.09 0.91 0.52 0.71 -7.23 0.36 -4.19 120.40 110.38 2iie s VAL 178 Ca 0.19 -0.48 -0.23 0.00 -1.81 0.00 0.00 61.98 59.65 2iie s VAL 178 Cb -0.11 -0.77 -0.06 0.00 0.56 0.00 0.00 36.38 36.00 2iie s VAL 178 CO 0.10 0.26 1.36 -2.84 -0.31 0.00 0.00 175.10 173.67 2iie s PRO 179 N -0.20 3.32 -0.05 4.82 0.02 -1.26 -0.48 135.00 141.17 2iie s PRO 179 Ca 0.03 2.24 -0.02 0.00 0.02 0.00 0.00 61.00 63.27 2iie s PRO 179 Cb -0.05 -2.37 0.04 0.00 0.02 0.00 0.00 34.50 32.14 2iie s PRO 179 CO -0.00 -1.05 0.11 -1.58 -0.33 0.00 0.00 177.00 174.15 2iie s HIS 180 N -1.30 -0.09 -0.02 6.54 2.46 0.33 -4.79 115.29 118.43 2iie s HIS 180 Ca 0.68 0.39 -0.01 0.00 0.47 0.00 0.00 55.06 56.59 2iie s HIS 180 Cb -0.40 -0.21 -0.04 0.00 -0.13 0.00 0.00 32.58 31.80 2iie s HIS 180 CO 0.49 -0.17 0.09 0.12 -2.47 0.00 0.00 174.74 172.79 2iie s PHE 181 N 1.52 3.32 -0.18 3.88 5.36 -1.26 -1.08 117.98 129.54 2iie s PHE 181 Ca -0.05 0.24 -0.01 0.00 -0.96 0.00 0.00 56.93 56.16 2iie s PHE 181 Cb -0.12 -1.76 0.05 0.00 -0.34 0.00 0.00 43.02 40.84 2iie s PHE 181 CO -0.05 0.56 -0.04 0.15 -1.46 0.00 0.00 175.22 174.39 2iie s LYS 182 N -1.63 1.31 0.31 10.12 1.02 -0.08 -4.79 119.74 125.99 2iie s LYS 182 Ca 0.22 -0.55 -0.29 0.00 0.02 0.00 0.00 55.97 55.36 2iie s LYS 182 Cb -0.12 -2.07 -0.11 0.00 -0.52 0.00 0.00 37.83 35.01 2iie s LYS 182 CO 0.13 -0.49 1.53 -1.25 -0.92 0.00 0.00 175.35 174.35 2iie s PRO 183 N 1.65 4.15 0.68 -1.68 0.04 -1.26 -0.79 135.00 137.78 2iie s PRO 183 Ca -0.00 2.52 -0.11 0.00 0.04 0.00 0.00 61.00 63.44 2iie s PRO 183 Cb -0.16 -3.03 -0.00 0.00 0.04 0.00 0.00 34.50 31.35 2iie s PRO 183 CO -0.07 -0.56 1.07 0.20 0.04 0.00 0.00 177.00 177.68 2iie s GLY 184 N 0.30 1.64 0.20 0.56 0.00 0.88 -4.80 107.32 106.09 2iie s GLY 184 Ca 0.60 -0.23 -0.15 0.00 0.00 0.00 0.00 44.72 44.94 2iie s GLY 184 CO 0.51 0.11 1.63 1.70 0.00 0.00 0.00 173.10 177.04 2iie h LYS 185 N -0.56 -0.02 -0.30 2.90 3.64 -1.87 -1.16 116.57 119.21 2iie h LYS 185 Ca -0.45 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 58.98 2iie h LYS 185 Cb 1.23 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 33.01 2iie h LYS 185 CO 0.63 -0.01 0.06 1.49 -2.27 0.00 0.00 179.45 179.34 2iie h GLU 186 N -0.02 0.16 -0.64 1.90 4.81 -1.93 -0.66 114.58 118.20 2iie h GLU 186 Ca 0.27 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.42 2iie h GLU 186 Cb 0.44 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 2iie h GLU 186 CO -0.60 0.11 0.11 1.25 -0.73 0.00 0.00 179.01 179.14 2iie h LEU 187 N 0.16 1.02 -0.44 1.64 5.85 -0.94 -1.64 115.31 120.96 2iie h LEU 187 Ca 0.14 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 2iie h LEU 187 Cb 0.15 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 2iie h LEU 187 CO -0.19 1.02 0.12 0.03 -0.34 0.00 0.00 178.44 179.09 2iie h ARG 188 N 0.98 0.69 0.29 1.25 3.08 -0.90 -0.13 114.38 119.64 2iie h ARG 188 Ca 0.20 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 2iie h ARG 188 Cb 0.43 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2iie h ARG 188 CO 0.01 0.68 -0.14 -0.44 -1.07 0.00 0.00 179.97 179.01 2iie h ASP 189 N 0.57 -0.33 -0.47 7.04 3.32 -1.00 -0.84 116.42 124.70 2iie h ASP 189 Ca 0.14 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 2iie h ASP 189 Cb 0.29 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 2iie h ASP 189 CO -0.00 -0.16 0.10 0.03 -1.72 0.00 0.00 179.24 177.48 2iie h ARG 190 N -0.47 0.84 0.01 3.56 3.08 -1.28 -3.05 114.38 117.06 2iie h ARG 190 Ca -0.04 -0.19 -0.20 0.00 0.07 0.00 0.00 59.98 59.62 2iie h ARG 190 Cb 0.36 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 2iie h ARG 190 CO 0.07 0.78 -0.90 0.00 -1.07 0.00 0.00 179.97 178.84 2iie h ALA 191 N 1.31 0.49 -1.60 0.04 0.00 -1.00 -3.43 119.26 115.06 2iie h ALA 191 Ca 0.17 -0.74 -0.55 0.00 0.00 0.00 0.00 54.91 53.79 2iie h ALA 191 Cb 0.34 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 2iie h ALA 191 CO 0.00 0.94 1.05 1.21 0.00 0.00 0.00 179.25 182.45 2iie s ASN 192 N -6.93 6.26 0.00 0.00 2.47 -0.32 -4.82 114.94 111.60 2iie s ASN 192 Ca -0.03 0.26 -0.02 0.00 0.42 0.00 0.00 52.86 53.49 2iie s ASN 192 Cb 0.10 -2.55 -0.09 0.00 -1.45 0.00 0.00 41.25 37.26 2iie s ASN 192 CO 0.83 -1.61 2.25 2.30 -3.72 0.00 0.00 177.10 177.16 2iie n ILE 193 N 6.81 2.00 -2.76 -5.21 -5.35 -1.26 -3.48 119.36 110.11 2iie n ILE 193 Ca 0.11 -0.76 -0.02 0.00 -0.27 0.00 0.00 62.75 61.82 2iie n ILE 193 Cb 0.49 -1.62 0.08 0.00 -1.74 0.00 0.00 39.64 36.85 2iie n ILE 193 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 2iie n TYR 194 N 1.99 -0.22 -1.23 4.28 4.02 -1.26 -4.90 117.16 119.84 2iie n TYR 194 Ca 0.15 -2.00 0.00 0.00 -0.01 0.00 0.00 57.90 56.04 2iie n TYR 194 Cb 0.56 0.55 0.00 0.00 -0.02 0.00 0.00 39.34 40.43 2iie n TYR 194 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2iie n GLY 195 N -0.95 0.58 1.03 2.72 0.00 -1.23 -4.95 105.19 102.40 2iie n GLY 195 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2iie n GLY 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2iie n GLY 196 N 0.00 1.68 3.68 -0.02 0.00 -1.26 -4.77 105.19 104.50 2iie n GLY 196 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2iie n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2iie s SER 197 N 1.05 3.73 -0.41 1.61 1.04 -1.26 -5.04 113.70 114.43 2iie s SER 197 Ca 0.00 -1.63 -0.37 0.00 0.48 0.00 0.00 55.95 54.43 2iie s SER 197 Cb 0.00 0.42 -0.16 0.00 0.10 0.00 0.00 66.02 66.38 2iie s SER 197 CO 0.00 -0.83 1.56 0.61 0.98 0.00 0.00 173.24 175.56 2iie n GLY 198 N -1.14 -0.00 2.01 7.32 0.00 -1.26 -4.84 105.19 107.29 2iie n GLY 198 Ca -0.14 0.88 -0.18 0.00 0.00 0.00 0.00 46.02 46.58 2iie n GLY 198 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2iie n HIS 199 N 4.89 -3.39 -3.47 1.61 1.44 -1.26 -5.02 115.22 110.01 2iie n HIS 199 Ca 0.36 -0.56 -0.42 0.00 -2.01 0.00 0.00 57.72 55.10 2iie n HIS 199 Cb -0.04 -0.69 -0.10 0.00 0.12 0.00 0.00 29.99 29.28 2iie n HIS 199 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2iie s HIS 200 N -2.02 3.23 -0.45 -1.40 3.76 -1.26 -4.99 115.29 112.16 2iie s HIS 200 Ca 0.41 -0.41 0.04 0.00 -0.15 0.00 0.00 55.06 54.96 2iie s HIS 200 Cb -0.05 -2.57 0.25 0.00 1.11 0.00 0.00 32.58 31.32 2iie s HIS 200 CO 0.32 -0.50 0.99 0.72 -0.85 0.00 0.00 174.74 175.42 2iie n HIS 201 N 5.18 -2.68 -4.18 1.40 8.25 -1.26 -5.16 115.22 116.77 2iie n HIS 201 Ca -0.11 -1.54 -0.12 0.00 -0.26 0.00 0.00 57.72 55.70 2iie n HIS 201 Cb 0.48 1.47 -0.10 0.00 1.12 0.00 0.00 29.99 32.96 2iie n HIS 201 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2iie s HIS 202 N 0.53 0.96 -2.44 4.41 -3.43 -1.26 -5.09 115.29 108.96 2iie s HIS 202 Ca 0.30 -0.85 0.28 0.00 -0.80 0.00 0.00 55.06 53.99 2iie s HIS 202 Cb 0.23 -0.54 1.08 0.00 -1.43 0.00 0.00 32.58 31.92 2iie s HIS 202 CO -0.20 -0.10 1.76 -2.39 -2.00 0.00 0.00 174.74 171.82 2iie n HIS 203 N 0.05 0.00 -1.65 0.38 1.44 -1.26 -5.34 115.22 108.84 2iie n HIS 203 Ca -0.13 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.58 2iie n HIS 203 Cb 0.60 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.71 2iie n HIS 203 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11