#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i3g n ASP 6 N 0.00 -4.38 -4.89 4.52 10.43 -1.26 -4.90 116.55 116.08 3i3g n ASP 6 Ca 0.00 -0.30 -0.36 0.00 2.57 0.00 0.00 54.79 56.70 3i3g n ASP 6 Cb 0.00 -3.60 -0.06 0.00 1.84 0.00 0.00 41.12 39.30 3i3g n ASP 6 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3i3g s LEU 7 N -6.45 4.39 -0.03 0.64 1.43 -1.26 -1.78 118.68 115.61 3i3g s LEU 7 Ca 0.33 0.47 0.06 0.00 -1.03 0.00 0.00 54.13 53.97 3i3g s LEU 7 Cb -0.17 -2.34 -0.01 0.00 0.03 0.00 0.00 46.19 43.70 3i3g s LEU 7 CO 0.41 0.34 -0.23 -1.61 0.23 0.00 0.00 176.35 175.49 3i3g s GLU 8 N -1.40 2.04 -0.28 1.70 2.02 0.07 -4.92 118.70 117.92 3i3g s GLU 8 Ca 0.21 -0.81 -0.09 0.00 0.02 0.00 0.00 54.97 54.30 3i3g s GLU 8 Cb -0.13 -1.86 -0.02 0.00 0.10 0.00 0.00 34.13 32.22 3i3g s GLU 8 CO 0.10 0.42 0.13 -1.17 0.02 0.00 0.00 175.26 174.77 3i3g s LEU 9 N -0.34 3.85 0.26 1.80 2.96 -1.26 -0.50 118.68 125.44 3i3g s LEU 9 Ca 0.03 -0.30 -0.20 0.00 -0.22 0.00 0.00 54.13 53.44 3i3g s LEU 9 Cb -0.11 -2.00 0.02 0.00 0.50 0.00 0.00 46.19 44.61 3i3g s LEU 9 CO 0.01 -0.11 0.66 0.00 -1.32 0.00 0.00 176.35 175.59 3i3g s ARG 10 N 1.65 1.67 0.59 1.98 1.70 -0.62 -4.96 118.95 120.94 3i3g s ARG 10 Ca 0.06 -0.97 -0.18 0.00 -0.47 0.00 0.00 55.73 54.17 3i3g s ARG 10 Cb -0.16 0.58 -0.04 0.00 -0.57 0.00 0.00 34.95 34.76 3i3g s ARG 10 CO 0.06 -0.75 1.16 0.14 -1.08 0.00 0.00 175.30 174.84 3i3g s VAL 11 N -3.91 2.92 0.42 4.99 -7.23 -1.26 -0.21 120.40 116.11 3i3g s VAL 11 Ca 0.12 0.55 -0.26 0.00 -1.81 0.00 0.00 61.98 60.57 3i3g s VAL 11 Cb -0.04 -3.18 -0.10 0.00 0.56 0.00 0.00 36.38 33.62 3i3g s VAL 11 CO 0.05 -0.15 1.39 -0.11 -0.31 0.00 0.00 175.10 175.97 3i3g n LEU 12 N -1.63 4.66 -4.43 1.32 7.94 -0.17 -4.78 117.00 119.92 3i3g n LEU 12 Ca 0.12 1.15 -0.22 0.00 -1.11 0.00 0.00 56.01 55.95 3i3g n LEU 12 Cb 0.50 -1.57 -0.10 0.00 0.53 0.00 0.00 43.42 42.78 3i3g n LEU 12 CO 0.44 -0.23 -0.47 -1.61 -1.11 0.00 0.00 177.39 174.41 3i3g s GLU 13 N -2.27 1.56 0.24 1.96 2.02 -1.26 -5.04 118.70 115.91 3i3g s GLU 13 Ca 0.59 -1.70 -0.05 0.00 0.02 0.00 0.00 54.97 53.83 3i3g s GLU 13 Cb -0.48 -1.56 0.35 0.00 0.10 0.00 0.00 34.13 32.54 3i3g s GLU 13 CO 0.59 0.29 1.84 1.49 0.02 0.00 0.00 175.26 179.49 3i3g h GLU 14 N 2.41 0.87 0.00 1.61 4.81 -2.02 -0.55 114.58 121.72 3i3g h GLU 14 Ca -0.40 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3i3g h GLU 14 Cb 1.24 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.43 3i3g h GLU 14 CO 0.60 0.58 0.00 -1.13 -0.73 0.00 0.00 179.01 178.33 3i3g n SER 15 N -4.67 0.64 0.16 1.04 3.41 -1.26 -2.16 113.62 110.77 3i3g n SER 15 Ca 0.13 0.69 0.13 0.00 -0.26 0.00 0.00 58.87 59.56 3i3g n SER 15 Cb 0.21 -0.81 0.29 0.00 -0.26 0.00 0.00 64.21 63.64 3i3g n SER 15 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3i3g h ASP 16 N 0.00 0.00 -0.27 4.04 3.32 -1.46 -3.41 116.42 118.63 3i3g h ASP 16 Ca 0.00 -0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.10 3i3g h ASP 16 Cb 0.26 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.75 3i3g h ASP 16 CO 0.00 0.00 -0.09 -0.07 -1.72 0.00 0.00 179.24 177.37 3i3g h LEU 17 N 0.00 -0.31 -0.19 1.55 3.38 -1.50 0.14 115.31 118.38 3i3g h LEU 17 Ca 0.00 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3i3g h LEU 17 Cb 0.86 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 3i3g h LEU 17 CO 0.00 -0.11 0.08 0.28 0.09 0.00 0.00 178.44 178.77 3i3g h SER 18 N -0.03 0.27 -0.62 -0.43 0.02 -1.83 -1.70 113.55 109.23 3i3g h SER 18 Ca 0.14 -0.17 -0.06 0.00 -0.84 0.00 0.00 61.79 60.86 3i3g h SER 18 Cb 0.23 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 3i3g h SER 18 CO -0.30 0.37 0.18 -1.28 -1.14 0.00 0.00 176.83 174.66 3i3g h SER 19 N 0.16 0.93 -0.84 3.07 0.87 -1.66 -2.25 113.55 113.83 3i3g h SER 19 Ca 0.06 -0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.43 3i3g h SER 19 Cb 0.18 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 61.86 3i3g h SER 19 CO -0.00 0.89 0.43 -0.74 -0.53 0.00 0.00 176.83 176.87 3i3g h HIS 20 N 0.96 1.18 -0.40 2.24 6.17 -0.53 -2.04 115.15 122.73 3i3g h HIS 20 Ca 0.21 -0.04 -0.04 0.00 0.71 0.00 0.00 60.37 61.20 3i3g h HIS 20 Cb 0.30 -0.37 -0.02 0.00 2.52 0.00 0.00 27.41 29.84 3i3g h HIS 20 CO 0.02 0.84 0.08 1.25 0.71 0.00 0.00 177.93 180.83 3i3g h LEU 21 N 1.19 0.63 -0.68 0.26 5.85 -0.87 -1.69 115.31 119.99 3i3g h LEU 21 Ca 0.29 -0.25 0.09 0.00 0.84 0.00 0.00 57.88 58.86 3i3g h LEU 21 Cb 0.08 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 40.87 3i3g h LEU 21 CO -0.04 0.71 0.31 -0.33 -0.34 0.00 0.00 178.44 178.75 3i3g h GLU 22 N 0.51 0.52 0.11 1.25 5.08 -1.09 -2.02 114.58 118.94 3i3g h GLU 22 Ca 0.12 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3i3g h GLU 22 Cb 0.34 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3i3g h GLU 22 CO 0.01 0.34 -0.14 1.25 -1.00 0.00 0.00 179.01 179.46 3i3g h LEU 23 N 0.53 -0.39 -2.73 1.33 5.85 -0.98 -1.84 115.31 117.09 3i3g h LEU 23 Ca 0.34 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.11 3i3g h LEU 23 Cb 0.38 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 3i3g h LEU 23 CO -0.28 -0.22 0.04 -0.07 -0.34 0.00 0.00 178.44 177.57 3i3g h LEU 24 N -0.30 0.00 -2.62 2.25 3.38 -0.68 -1.20 115.31 116.15 3i3g h LEU 24 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3i3g h LEU 24 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3i3g h LEU 24 CO -0.06 0.00 0.03 1.23 0.09 0.00 0.00 178.44 179.73 3i3g h GLY 25 N 0.00 0.00 1.22 0.83 0.00 -0.64 0.34 103.07 104.81 3i3g h GLY 25 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3i3g h GLY 25 CO -0.00 0.00 -0.03 1.42 0.00 0.00 0.00 176.54 177.93 3i3g n HIS 26 N -2.90 0.00 -0.08 5.60 8.25 -0.45 -3.97 115.22 121.66 3i3g n HIS 26 Ca -0.03 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.29 3i3g n HIS 26 Cb 0.09 -0.19 -0.06 0.00 1.12 0.00 0.00 29.99 30.95 3i3g n HIS 26 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3i3g n LEU 27 N -1.10 1.76 0.00 2.41 7.94 0.11 -5.08 117.00 123.04 3i3g n LEU 27 Ca 0.16 0.10 -0.06 0.00 -1.11 0.00 0.00 56.01 55.10 3i3g n LEU 27 Cb 0.23 -0.49 0.00 0.00 0.53 0.00 0.00 43.42 43.69 3i3g n LEU 27 CO 0.22 0.47 0.20 0.41 -1.11 0.00 0.00 177.39 177.59 3i3g n THR 28 N -3.45 0.00 -1.68 1.96 -1.04 -0.90 -5.12 114.28 104.06 3i3g n THR 28 Ca -0.30 -0.73 -0.46 0.00 -2.04 0.00 0.00 64.05 60.52 3i3g n THR 28 Cb 0.74 0.57 -0.04 0.00 -1.82 0.00 0.00 70.33 69.78 3i3g n THR 28 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3i3g n GLU 29 N -0.30 2.27 -3.18 -2.82 1.02 -1.26 -4.26 120.64 112.11 3i3g n GLU 29 Ca -0.03 0.83 -0.23 0.00 -0.02 0.00 0.00 57.16 57.71 3i3g n GLU 29 Cb 0.32 -2.65 -0.05 0.00 -0.02 0.00 0.00 31.44 29.04 3i3g n GLU 29 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i3g n ALA 30 N 5.12 2.99 -1.74 0.62 0.00 -1.26 -4.93 120.51 121.31 3i3g n ALA 30 Ca 0.19 -3.88 -0.37 0.00 0.00 0.00 0.00 53.44 49.38 3i3g n ALA 30 Cb 0.31 -0.85 0.06 0.00 0.00 0.00 0.00 19.45 18.97 3i3g n ALA 30 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3i3g s PRO 31 N -2.26 2.71 0.30 0.00 0.04 -1.26 -4.91 135.00 129.61 3i3g s PRO 31 Ca 0.40 2.14 -0.29 0.00 0.04 0.00 0.00 61.00 63.28 3i3g s PRO 31 Cb 0.25 -1.97 -0.13 0.00 0.04 0.00 0.00 34.50 32.69 3i3g s PRO 31 CO -0.09 -1.50 1.31 -2.30 0.04 0.00 0.00 177.00 174.47 3i3g n PRO 32 N -1.65 2.02 -4.16 0.56 -0.02 -1.26 -5.03 135.00 125.46 3i3g n PRO 32 Ca 0.14 0.71 -0.16 0.00 -2.02 0.00 0.00 63.50 62.18 3i3g n PRO 32 Cb 0.47 -2.31 -0.13 0.00 -0.02 0.00 0.00 33.50 31.52 3i3g n PRO 32 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i3g s LEU 33 N -0.45 2.18 0.83 2.45 1.43 -1.26 -5.15 118.68 118.70 3i3g s LEU 33 Ca 0.61 -0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 53.17 3i3g s LEU 33 Cb -0.61 -0.32 0.09 0.00 0.03 0.00 0.00 46.19 45.38 3i3g s LEU 33 CO 0.57 -0.08 1.09 -0.94 0.23 0.00 0.00 176.35 177.23 3i3g s SER 34 N -1.15 4.02 0.20 2.29 1.04 -1.26 -4.78 113.70 114.05 3i3g s SER 34 Ca -0.04 1.75 -0.10 0.00 0.48 0.00 0.00 55.95 58.04 3i3g s SER 34 Cb -0.08 -2.42 0.23 0.00 0.10 0.00 0.00 66.02 63.86 3i3g s SER 34 CO 0.01 -2.33 1.78 1.23 0.98 0.00 0.00 173.24 174.90 3i3g h GLY 35 N -1.34 0.87 0.99 7.32 0.00 -2.01 -0.69 103.07 108.22 3i3g h GLY 35 Ca -0.45 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 3i3g h GLY 35 CO 0.51 0.08 0.31 -2.08 0.00 0.00 0.00 176.54 175.36 3i3g h VAL 36 N 0.54 1.20 -0.31 4.60 2.07 -1.99 -0.39 116.25 121.98 3i3g h VAL 36 Ca 0.28 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 3i3g h VAL 36 Cb 0.25 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3i3g h VAL 36 CO -0.22 0.22 0.10 -0.33 0.02 0.00 0.00 177.57 177.37 3i3g h GLU 37 N 0.80 0.48 -0.73 1.57 5.08 -1.80 -0.45 114.58 119.54 3i3g h GLU 37 Ca 0.21 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3i3g h GLU 37 Cb 0.08 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 3i3g h GLU 37 CO -0.03 0.51 0.44 -0.07 -1.00 0.00 0.00 179.01 178.86 3i3g h LEU 38 N 0.35 0.87 -0.77 1.33 3.38 -0.97 -1.30 115.31 118.20 3i3g h LEU 38 Ca 0.10 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3i3g h LEU 38 Cb 0.23 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3i3g h LEU 38 CO -0.00 0.68 0.31 0.00 0.09 0.00 0.00 178.44 179.52 3i3g h ALA 39 N 1.23 1.00 -0.56 1.53 0.00 -0.84 -0.19 119.26 121.42 3i3g h ALA 39 Ca 0.26 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3i3g h ALA 39 Cb -0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3i3g h ALA 39 CO -0.05 0.61 0.07 -0.91 0.00 0.00 0.00 179.25 178.97 3i3g h ASN 40 N 1.11 0.86 -0.52 0.00 2.35 -0.70 -1.09 115.58 117.60 3i3g h ASN 40 Ca 0.26 -0.20 -0.12 0.00 -0.55 0.00 0.00 56.30 55.70 3i3g h ASN 40 Cb 0.20 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 3i3g h ASN 40 CO -0.02 0.89 -0.13 0.40 -1.65 0.00 0.00 177.43 176.92 3i3g h ILE 41 N 0.85 1.27 -0.89 2.81 2.04 -0.88 -1.40 117.51 121.31 3i3g h ILE 41 Ca 0.17 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.75 3i3g h ILE 41 Cb 0.41 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 3i3g h ILE 41 CO 0.01 0.45 0.57 0.00 0.00 0.00 0.00 178.15 179.18 3i3g h ALA 42 N 0.95 1.13 -0.19 1.87 0.00 -0.68 -0.49 119.26 121.84 3i3g h ALA 42 Ca 0.14 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3i3g h ALA 42 Cb 0.69 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3i3g h ALA 42 CO 0.05 0.56 -0.01 -0.44 0.00 0.00 0.00 179.25 179.41 3i3g h ASP 43 N 1.21 0.34 -0.62 0.00 3.32 -0.96 -0.95 116.42 118.76 3i3g h ASP 43 Ca 0.32 -0.32 0.06 0.00 0.02 0.00 0.00 57.03 57.11 3i3g h ASP 43 Cb -0.10 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.31 3i3g h ASP 43 CO -0.07 0.57 0.33 0.24 -1.72 0.00 0.00 179.24 178.60 3i3g h MET 44 N 0.09 0.60 -0.88 3.56 2.86 -1.04 -1.35 114.93 118.77 3i3g h MET 44 Ca 0.05 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 3i3g h MET 44 Cb 0.40 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.89 3i3g h MET 44 CO 0.01 0.40 0.48 0.00 1.06 0.00 0.00 176.91 178.86 3i3g h ARG 45 N 0.62 1.23 -0.59 1.72 3.08 -0.93 -2.51 114.38 117.00 3i3g h ARG 45 Ca 0.28 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 3i3g h ARG 45 Cb 0.18 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 3i3g h ARG 45 CO -0.18 0.90 0.17 -0.09 -1.07 0.00 0.00 179.97 179.70 3i3g h ARG 46 N 1.23 0.89 -0.10 0.04 2.43 -0.77 -1.73 114.38 116.38 3i3g h ARG 46 Ca 0.31 -0.17 -0.06 0.00 -0.81 0.00 0.00 59.98 59.25 3i3g h ARG 46 Cb 0.03 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 3i3g h ARG 46 CO -0.05 0.77 -0.21 0.00 -1.51 0.00 0.00 179.97 178.97 3i3g h ARG 47 N 0.86 0.16 -0.45 0.20 3.08 -0.84 0.49 114.38 117.89 3i3g h ARG 47 Ca 0.19 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3i3g h ARG 47 Cb 0.26 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.29 3i3g h ARG 47 CO -0.01 0.38 0.00 0.00 -1.07 0.00 0.00 179.97 179.27 3i3g n ALA 48 N -2.49 2.59 -2.04 0.04 0.00 -0.72 -4.86 120.51 113.03 3i3g n ALA 48 Ca -0.01 -0.28 -0.14 0.00 0.00 0.00 0.00 53.44 53.00 3i3g n ALA 48 Cb 0.31 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.74 3i3g n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i3g n GLY 49 N 0.48 0.25 3.77 0.00 0.00 0.16 -4.85 105.19 105.00 3i3g n GLY 49 Ca 0.05 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 3i3g n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i3g s ILE 50 N -2.66 4.93 -0.08 -0.61 1.01 -0.76 -3.89 121.20 119.13 3i3g s ILE 50 Ca 0.00 1.16 0.02 0.00 0.00 0.00 0.00 60.65 61.83 3i3g s ILE 50 Cb 0.00 -3.89 -0.02 0.00 0.01 0.00 0.00 42.46 38.56 3i3g s ILE 50 CO 0.00 0.45 -0.12 0.54 0.00 0.00 0.00 174.94 175.80 3i3g s VAL 51 N -0.33 3.21 -0.18 2.92 0.11 0.05 -4.35 120.40 121.83 3i3g s VAL 51 Ca 0.29 -0.65 0.01 0.00 -2.93 0.00 0.00 61.98 58.71 3i3g s VAL 51 Cb -0.18 -2.30 0.02 0.00 -1.53 0.00 0.00 36.38 32.40 3i3g s VAL 51 CO 0.16 0.57 -0.19 -0.89 -3.33 0.00 0.00 175.10 171.42 3i3g s THR 52 N -0.40 2.02 -0.10 5.04 2.01 -1.26 -0.22 115.64 122.74 3i3g s THR 52 Ca 0.05 -0.98 -0.04 0.00 0.31 0.00 0.00 61.69 61.03 3i3g s THR 52 Cb -0.12 -1.86 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 3i3g s THR 52 CO 0.02 0.48 0.05 -0.54 -0.69 0.00 0.00 174.62 173.94 3i3g s LYS 53 N 1.29 3.15 0.08 4.92 -0.14 -0.40 -1.00 119.74 127.64 3i3g s LYS 53 Ca 0.04 -0.30 0.04 0.00 -1.36 0.00 0.00 55.97 54.38 3i3g s LYS 53 Cb -0.14 -2.94 -0.03 0.00 -1.68 0.00 0.00 37.83 33.04 3i3g s LYS 53 CO -0.12 0.73 -0.11 0.14 -0.76 0.00 0.00 175.35 175.23 3i3g s VAL 54 N -0.94 0.93 -0.21 3.17 -7.23 0.70 -1.57 120.40 115.25 3i3g s VAL 54 Ca 0.14 -1.42 -0.14 0.00 -1.81 0.00 0.00 61.98 58.75 3i3g s VAL 54 Cb -0.12 -1.12 -0.04 0.00 0.56 0.00 0.00 36.38 35.66 3i3g s VAL 54 CO 0.03 -0.41 0.32 -0.36 -0.31 0.00 0.00 175.10 174.37 3i3g s PHE 55 N -1.83 3.36 -0.08 2.82 0.08 -0.04 -1.60 117.98 120.69 3i3g s PHE 55 Ca -0.00 0.50 0.05 0.00 0.12 0.00 0.00 56.93 57.60 3i3g s PHE 55 Cb -0.07 -2.44 -0.01 0.00 -0.57 0.00 0.00 43.02 39.94 3i3g s PHE 55 CO 0.01 0.03 -0.24 0.00 -0.10 0.00 0.00 175.22 174.92 3i3g s HIS 57 N 0.10 2.09 0.26 0.00 2.46 0.35 -0.75 115.29 119.80 3i3g s HIS 57 Ca -0.12 0.10 -0.02 0.00 0.47 0.00 0.00 55.06 55.49 3i3g s HIS 57 Cb -0.16 -4.40 0.53 0.00 -0.13 0.00 0.00 32.58 28.42 3i3g s HIS 57 CO 0.06 -2.04 1.74 0.37 -2.47 0.00 0.00 174.74 172.41 3i3g h GLN 58 N 11.45 0.51 -0.44 2.88 -0.00 -1.66 0.76 115.11 128.61 3i3g h GLN 58 Ca -0.08 -0.03 0.03 0.00 -0.00 0.00 0.00 58.65 58.56 3i3g h GLN 58 Cb 1.06 -0.12 -0.02 0.00 0.00 0.00 0.00 27.48 28.40 3i3g h GLN 58 CO 1.29 0.34 0.29 -1.35 0.00 0.00 0.00 178.83 179.40 3i3g h PRO 59 N 0.53 0.49 0.00 -2.39 0.11 -1.90 -3.21 132.00 125.64 3i3g h PRO 59 Ca 0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.54 3i3g h PRO 59 Cb 0.69 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.69 3i3g h PRO 59 CO -0.40 0.33 -1.17 0.25 -0.21 0.00 0.00 178.00 176.80 3i3g n THR 60 N -4.48 0.00 -0.74 -1.15 -2.24 -0.64 -5.01 114.28 100.03 3i3g n THR 60 Ca 0.04 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 3i3g n THR 60 Cb 0.13 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 3i3g n THR 60 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i3g n GLY 61 N 2.06 0.77 3.73 3.38 0.00 0.26 -5.02 105.19 110.37 3i3g n GLY 61 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3i3g n GLY 61 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i3g s ARG 62 N -0.26 4.32 -0.22 1.61 3.52 -1.21 -4.70 118.95 122.01 3i3g s ARG 62 Ca 0.00 2.13 -0.21 0.00 -0.13 0.00 0.00 55.73 57.52 3i3g s ARG 62 Cb 0.00 -3.20 -0.02 0.00 -1.56 0.00 0.00 34.95 30.17 3i3g s ARG 62 CO 0.00 -0.39 0.66 0.42 -0.81 0.00 0.00 175.30 175.19 3i3g s ILE 63 N 0.58 4.98 0.00 4.11 -1.09 -1.26 -0.49 121.20 128.02 3i3g s ILE 63 Ca 0.61 1.24 0.00 0.00 -2.23 0.00 0.00 60.65 60.27 3i3g s ILE 63 Cb -0.38 -3.97 0.00 0.00 -1.58 0.00 0.00 42.46 36.53 3i3g s ILE 63 CO 0.35 0.06 0.51 1.33 -1.23 0.00 0.00 174.94 175.96 3i3g n VAL 64 N 4.93 0.10 -3.58 2.92 0.24 -0.51 -4.76 118.33 117.67 3i3g n VAL 64 Ca 0.00 -0.50 -0.16 0.00 -2.04 0.00 0.00 64.34 61.64 3i3g n VAL 64 Cb 0.49 1.03 -0.07 0.00 -1.47 0.00 0.00 33.84 33.83 3i3g n VAL 64 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3i3g s GLY 65 N -0.10 -0.54 -0.10 7.63 0.00 -1.18 -0.45 107.32 112.57 3i3g s GLY 65 Ca 0.00 1.61 -0.19 0.00 0.00 0.00 0.00 44.72 46.14 3i3g s GLY 65 CO 0.00 1.30 0.47 -0.45 0.00 0.00 0.00 173.10 174.42 3i3g s SER 66 N -0.44 -0.43 -0.21 1.64 0.15 0.01 -0.86 113.70 113.55 3i3g s SER 66 Ca -0.06 0.63 -0.19 0.00 0.70 0.00 0.00 55.95 57.03 3i3g s SER 66 Cb -0.03 0.67 0.06 0.00 -1.71 0.00 0.00 66.02 65.02 3i3g s SER 66 CO 0.05 -0.35 0.56 0.00 1.20 0.00 0.00 173.24 174.71 3i3g s ALA 67 N -0.56 -1.41 0.03 5.45 0.00 -0.61 -1.04 121.76 123.62 3i3g s ALA 67 Ca -0.07 1.64 0.06 0.00 0.00 0.00 0.00 51.96 53.60 3i3g s ALA 67 Cb -0.03 -0.96 -0.03 0.00 0.00 0.00 0.00 23.12 22.10 3i3g s ALA 67 CO 0.04 -0.27 -0.17 -1.12 0.00 0.00 0.00 175.76 174.24 3i3g s SER 68 N 0.44 3.88 -0.08 0.00 0.01 -0.65 -1.28 113.70 116.02 3i3g s SER 68 Ca -0.01 -0.37 0.04 0.00 1.31 0.00 0.00 55.95 56.91 3i3g s SER 68 Cb -0.04 -0.68 0.00 0.00 0.21 0.00 0.00 66.02 65.52 3i3g s SER 68 CO -0.01 0.27 -0.19 -0.22 0.41 0.00 0.00 173.24 173.50 3i3g s LEU 69 N -1.33 1.92 -0.21 2.44 2.96 0.69 -1.24 118.68 123.90 3i3g s LEU 69 Ca 0.14 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.62 3i3g s LEU 69 Cb -0.11 -1.16 0.04 0.00 0.50 0.00 0.00 46.19 45.47 3i3g s LEU 69 CO 0.05 0.12 -0.12 -0.32 -1.32 0.00 0.00 176.35 174.76 3i3g s MET 70 N 0.38 2.27 -0.20 1.98 1.75 0.69 -0.77 119.30 125.41 3i3g s MET 70 Ca -0.15 -0.95 -0.16 0.00 -1.25 0.00 0.00 55.69 53.18 3i3g s MET 70 Cb -0.16 -2.54 -0.04 0.00 2.84 0.00 0.00 34.83 34.93 3i3g s MET 70 CO 0.06 -0.41 0.43 0.42 -0.65 0.00 0.00 175.02 174.86 3i3g s ILE 71 N 1.31 5.18 -0.33 10.11 1.01 -1.25 -0.25 121.20 136.98 3i3g s ILE 71 Ca -0.02 0.77 -0.01 0.00 0.00 0.00 0.00 60.65 61.40 3i3g s ILE 71 Cb -0.16 -3.76 0.08 0.00 0.01 0.00 0.00 42.46 38.63 3i3g s ILE 71 CO -0.08 0.24 0.06 -1.58 0.00 0.00 0.00 174.94 173.57 3i3g s GLN 72 N 1.32 2.12 0.37 2.79 0.74 0.15 -4.95 119.66 122.21 3i3g s GLN 72 Ca 0.20 -1.54 -0.28 0.00 0.05 0.00 0.00 55.36 53.79 3i3g s GLN 72 Cb -0.15 -3.27 -0.11 0.00 1.10 0.00 0.00 33.01 30.58 3i3g s GLN 72 CO 0.08 -0.80 1.49 -2.14 -0.55 0.00 0.00 175.29 173.37 3i3g s PRO 73 N 1.14 4.11 0.15 1.67 0.02 -1.26 -1.19 135.00 139.65 3i3g s PRO 73 Ca 0.01 2.57 0.11 0.00 0.02 0.00 0.00 61.00 63.71 3i3g s PRO 73 Cb -0.21 -2.97 -0.04 0.00 0.02 0.00 0.00 34.50 31.30 3i3g s PRO 73 CO -0.04 -0.53 -0.25 0.15 -0.33 0.00 0.00 177.00 176.00 3i3g s LYS 74 N -2.01 1.41 0.17 5.54 -0.14 -1.25 -4.90 119.74 118.55 3i3g s LYS 74 Ca 0.53 -1.40 0.11 0.00 -1.36 0.00 0.00 55.97 53.85 3i3g s LYS 74 Cb -0.46 -1.79 -0.11 0.00 -1.68 0.00 0.00 37.83 33.78 3i3g s LYS 74 CO 0.62 0.41 1.29 0.74 -0.76 0.00 0.00 175.35 177.65 3i3g h PHE 75 N 3.61 0.00 -3.69 3.18 -1.00 -1.91 -3.33 116.94 113.80 3i3g h PHE 75 Ca -0.48 0.00 -0.45 0.00 2.81 0.00 0.00 57.97 59.84 3i3g h PHE 75 Cb 1.19 0.00 0.13 0.00 3.61 0.00 0.00 35.95 40.87 3i3g h PHE 75 CO 0.64 0.80 0.33 0.95 -1.61 0.00 0.00 178.31 179.42 3i3g s THR 76 N -2.81 2.07 -1.37 -1.55 -4.23 -1.26 -3.67 115.64 102.82 3i3g s THR 76 Ca 0.02 -0.16 -0.09 0.00 -1.18 0.00 0.00 61.69 60.27 3i3g s THR 76 Cb 0.09 -2.91 0.07 0.00 1.34 0.00 0.00 72.50 71.09 3i3g s THR 76 CO 0.79 0.00 0.58 0.54 -0.54 0.00 0.00 174.62 175.99 3i3g n ARG 77 N -3.40 -3.87 -1.56 3.99 5.12 -1.26 -1.00 116.66 114.69 3i3g n ARG 77 Ca 0.13 0.55 -0.12 0.00 -1.93 0.00 0.00 57.85 56.48 3i3g n ARG 77 Cb 0.60 -5.31 -0.04 0.00 -1.16 0.00 0.00 32.46 26.55 3i3g n ARG 77 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i3g n GLY 78 N -1.30 0.99 1.43 -0.13 0.00 -1.26 -2.89 105.19 102.03 3i3g n GLY 78 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3i3g n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3g n GLY 79 N -1.37 0.57 3.79 -0.02 0.00 -0.17 -5.05 105.19 102.94 3i3g n GLY 79 Ca -0.13 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 44.73 3i3g n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i3g s ARG 80 N -1.53 4.46 0.71 1.61 0.52 -1.14 -4.51 118.95 119.07 3i3g s ARG 80 Ca 0.00 1.04 -0.09 0.00 -0.52 0.00 0.00 55.73 56.16 3i3g s ARG 80 Cb 0.00 -3.23 0.04 0.00 0.52 0.00 0.00 34.95 32.28 3i3g s ARG 80 CO 0.00 0.57 1.06 0.00 0.02 0.00 0.00 175.30 176.96 3i3g s ALA 81 N -1.17 2.97 -0.10 2.13 0.00 -1.25 -3.89 121.76 120.46 3i3g s ALA 81 Ca 0.35 -0.63 0.03 0.00 0.00 0.00 0.00 51.96 51.71 3i3g s ALA 81 Cb -0.22 -2.83 -0.01 0.00 0.00 0.00 0.00 23.12 20.07 3i3g s ALA 81 CO 0.24 -1.25 -0.21 0.08 0.00 0.00 0.00 175.76 174.61 3i3g s VAL 82 N -3.32 2.31 -0.23 0.00 1.01 -0.33 -1.72 120.40 118.12 3i3g s VAL 82 Ca 0.59 -0.94 -0.18 0.00 0.00 0.00 0.00 61.98 61.45 3i3g s VAL 82 Cb -0.11 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 3i3g s VAL 82 CO 0.48 0.55 0.49 -0.83 0.00 0.00 0.00 175.10 175.80 3i3g s GLY 83 N 0.22 1.97 -0.33 4.51 0.00 -0.52 -0.68 107.32 112.49 3i3g s GLY 83 Ca -0.14 -0.53 -0.08 0.00 0.00 0.00 0.00 44.72 43.97 3i3g s GLY 83 CO 0.07 1.11 0.14 0.30 0.00 0.00 0.00 173.10 174.71 3i3g s HIS 84 N 1.90 3.21 -0.07 1.90 3.76 0.66 0.01 115.29 126.67 3i3g s HIS 84 Ca 0.22 -1.03 -0.14 0.00 -0.15 0.00 0.00 55.06 53.96 3i3g s HIS 84 Cb -0.15 -2.33 -0.05 0.00 1.11 0.00 0.00 32.58 31.15 3i3g s HIS 84 CO 0.09 -0.62 0.37 0.42 -0.85 0.00 0.00 174.74 174.15 3i3g s ILE 85 N 1.51 5.16 0.16 0.60 1.01 -0.38 -0.22 121.20 129.04 3i3g s ILE 85 Ca 0.02 0.74 -0.10 0.00 0.00 0.00 0.00 60.65 61.31 3i3g s ILE 85 Cb -0.18 -3.69 -0.00 0.00 0.01 0.00 0.00 42.46 38.60 3i3g s ILE 85 CO 0.04 0.50 0.30 -1.83 0.00 0.00 0.00 174.94 173.95 3i3g s GLU 86 N -0.42 1.15 -1.31 2.79 -1.05 -0.38 -4.42 118.70 115.05 3i3g s GLU 86 Ca 0.22 -1.12 -0.03 0.00 -0.15 0.00 0.00 54.97 53.89 3i3g s GLU 86 Cb -0.15 0.39 -0.00 0.00 -0.44 0.00 0.00 34.13 33.92 3i3g s GLU 86 CO 0.10 -0.42 0.62 -0.25 0.95 0.00 0.00 175.26 176.25 3i3g n ASP 87 N -0.21 -1.58 -4.61 0.83 8.00 -1.26 -1.64 116.55 116.08 3i3g n ASP 87 Ca -0.08 -0.91 -0.43 0.00 0.71 0.00 0.00 54.79 54.08 3i3g n ASP 87 Cb 0.63 -3.63 -0.03 0.00 -0.02 0.00 0.00 41.12 38.06 3i3g n ASP 87 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i3g s VAL 88 N -3.74 4.60 -0.00 2.53 1.01 -1.26 -4.03 120.40 119.50 3i3g s VAL 88 Ca 0.08 1.33 0.00 0.00 0.00 0.00 0.00 61.98 63.39 3i3g s VAL 88 Cb -0.03 -4.32 0.01 0.00 0.00 0.00 0.00 36.38 32.04 3i3g s VAL 88 CO 0.84 -0.48 0.01 -0.69 0.00 0.00 0.00 175.10 174.78 3i3g s VAL 89 N 3.44 -0.01 -0.04 2.92 1.01 -0.21 -5.02 120.40 122.50 3i3g s VAL 89 Ca 0.39 0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.44 3i3g s VAL 89 Cb -0.12 -0.03 0.00 0.00 0.00 0.00 0.00 36.38 36.23 3i3g s VAL 89 CO 0.17 0.02 -0.12 -0.69 0.00 0.00 0.00 175.10 174.48 3i3g s VAL 90 N 0.23 1.02 0.24 2.92 1.01 -1.26 -0.81 120.40 123.74 3i3g s VAL 90 Ca -0.02 -0.48 -0.31 0.00 0.00 0.00 0.00 61.98 61.18 3i3g s VAL 90 Cb -0.03 -0.90 -0.14 0.00 0.00 0.00 0.00 36.38 35.31 3i3g s VAL 90 CO -0.01 0.31 1.23 -0.67 0.00 0.00 0.00 175.10 175.96 3i3g n ASP 91 N 3.32 2.00 -0.30 3.32 2.03 0.40 -4.84 116.55 122.48 3i3g n ASP 91 Ca -0.19 1.16 0.15 0.00 0.52 0.00 0.00 54.79 56.43 3i3g n ASP 91 Cb 0.53 -1.34 0.40 0.00 -0.72 0.00 0.00 41.12 40.00 3i3g n ASP 91 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3i3g h PRO 92 N 3.29 0.60 0.00 -0.67 0.11 -1.99 0.39 132.00 133.73 3i3g h PRO 92 Ca -0.43 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 3i3g h PRO 92 Cb 1.31 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3i3g h PRO 92 CO 0.69 0.40 -0.02 0.66 -0.21 0.00 0.00 178.00 179.52 3i3g h SER 93 N 0.62 0.00 -0.49 -2.05 4.64 -1.97 -2.92 113.55 111.38 3i3g h SER 93 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 3i3g h SER 93 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 3i3g h SER 93 CO -0.27 0.02 0.00 -1.22 -0.87 0.00 0.00 176.83 174.49 3i3g n TYR 94 N -3.13 1.09 -2.62 4.77 4.02 0.12 -4.97 117.16 116.44 3i3g n TYR 94 Ca 0.00 -0.63 -0.42 0.00 -0.01 0.00 0.00 57.90 56.84 3i3g n TYR 94 Cb 0.28 -0.19 -0.03 0.00 -0.02 0.00 0.00 39.34 39.38 3i3g n TYR 94 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3i3g s ARG 95 N -1.80 4.49 0.00 -0.72 0.52 -1.11 -2.42 118.95 117.92 3i3g s ARG 95 Ca 0.42 1.51 0.00 0.00 -0.52 0.00 0.00 55.73 57.14 3i3g s ARG 95 Cb 0.27 -3.46 0.00 0.00 0.52 0.00 0.00 34.95 32.29 3i3g s ARG 95 CO 0.19 -0.17 0.00 0.41 0.02 0.00 0.00 175.30 175.75 3i3g n GLY 96 N 3.04 0.74 0.00 -3.53 0.00 -1.26 -4.93 105.19 99.25 3i3g n GLY 96 Ca 0.08 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.09 3i3g n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3g n ALA 97 N -0.53 4.57 -0.20 4.61 0.00 -1.02 -4.98 120.51 122.96 3i3g n ALA 97 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.86 3i3g n ALA 97 Cb 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 18.70 3i3g n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i3g n GLY 98 N 1.47 0.76 0.16 0.00 0.00 -1.26 -4.98 105.19 101.35 3i3g n GLY 98 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 3i3g n GLY 98 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i3g h LEU 99 N 0.00 0.44 -0.23 0.99 4.07 -1.94 -2.14 115.31 116.50 3i3g h LEU 99 Ca 0.00 -0.17 0.05 0.00 0.08 0.00 0.00 57.88 57.84 3i3g h LEU 99 Cb 0.00 -0.11 -0.06 0.00 1.08 0.00 0.00 40.66 41.57 3i3g h LEU 99 CO 0.00 0.49 -0.12 1.23 -1.08 0.00 0.00 178.44 178.96 3i3g h GLY 100 N 0.36 0.07 0.82 0.83 0.00 -1.93 -0.62 103.07 102.59 3i3g h GLY 100 Ca 0.10 0.15 0.03 0.00 0.00 0.00 0.00 47.33 47.62 3i3g h GLY 100 CO -0.01 -0.14 0.30 1.70 0.00 0.00 0.00 176.54 178.40 3i3g h LYS 101 N -0.10 0.58 -0.43 4.80 3.64 -1.97 -1.66 116.57 121.43 3i3g h LYS 101 Ca 0.13 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3i3g h LYS 101 Cb 0.29 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 3i3g h LYS 101 CO -0.30 0.38 0.28 0.00 -2.27 0.00 0.00 179.45 177.55 3i3g h ALA 102 N 1.25 0.55 0.18 5.00 0.00 -0.88 -0.42 119.26 124.94 3i3g h ALA 102 Ca 0.22 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3i3g h ALA 102 Cb 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3i3g h ALA 102 CO -0.12 0.01 -0.13 -0.07 0.00 0.00 0.00 179.25 178.94 3i3g h LEU 103 N 0.58 -0.32 0.06 0.00 3.38 -0.81 -0.55 115.31 117.65 3i3g h LEU 103 Ca 0.16 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.16 3i3g h LEU 103 Cb -0.05 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3i3g h LEU 103 CO -0.03 -0.20 -0.10 0.40 0.09 0.00 0.00 178.44 178.59 3i3g h ILE 104 N -0.31 0.76 -0.73 1.22 1.08 -1.15 -1.34 117.51 117.04 3i3g h ILE 104 Ca -0.01 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.55 3i3g h ILE 104 Cb 0.27 0.76 -0.07 0.00 -3.07 0.00 0.00 36.82 34.71 3i3g h ILE 104 CO 0.00 0.00 0.38 0.24 -0.69 0.00 0.00 178.15 178.09 3i3g h MET 105 N -0.20 0.64 -0.30 2.37 2.86 -1.00 0.69 114.93 119.99 3i3g h MET 105 Ca 0.02 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.64 3i3g h MET 105 Cb 0.22 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 3i3g h MET 105 CO -0.06 0.42 0.16 0.22 1.06 0.00 0.00 176.91 178.72 3i3g h ASP 106 N 0.66 0.26 0.00 1.22 3.58 -0.69 -1.07 116.42 120.38 3i3g h ASP 106 Ca 0.36 0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.73 3i3g h ASP 106 Cb 0.35 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 3i3g h ASP 106 CO -0.25 0.19 -0.23 -0.07 -2.88 0.00 0.00 179.24 175.99 3i3g h LEU 107 N 0.34 0.39 -0.62 2.28 3.38 -0.41 -1.79 115.31 118.87 3i3g h LEU 107 Ca 0.12 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 3i3g h LEU 107 Cb 0.01 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3i3g h LEU 107 CO -0.06 0.63 -0.09 0.00 0.09 0.00 0.00 178.44 179.00 3i3g h GLU 109 N 0.89 0.73 -0.46 0.00 4.57 -0.85 0.31 114.58 119.77 3i3g h GLU 109 Ca 0.14 -0.20 0.03 0.00 -1.18 0.00 0.00 59.36 58.15 3i3g h GLU 109 Cb 0.64 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.12 3i3g h GLU 109 CO 0.04 0.76 0.25 0.82 -1.18 0.00 0.00 179.01 179.71 3i3g h ILE 110 N 0.59 1.01 -0.19 2.32 2.04 -1.24 0.75 117.51 122.79 3i3g h ILE 110 Ca 0.13 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 65.83 3i3g h ILE 110 Cb 0.39 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 3i3g h ILE 110 CO 0.01 0.09 0.08 0.28 0.00 0.00 0.00 178.15 178.61 3i3g h SER 111 N 0.51 0.10 -0.77 1.72 0.02 -0.99 -2.19 113.55 111.95 3i3g h SER 111 Ca 0.19 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.20 3i3g h SER 111 Cb 0.05 -0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.54 3i3g h SER 111 CO -0.11 0.09 0.48 -0.09 -1.14 0.00 0.00 176.83 176.06 3i3g h ARG 112 N 0.18 0.88 0.00 3.45 2.43 -0.52 -1.38 114.38 119.42 3i3g h ARG 112 Ca 0.08 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3i3g h ARG 112 Cb 0.04 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.39 3i3g h ARG 112 CO -0.07 0.58 -0.04 0.66 -1.51 0.00 0.00 179.97 179.59 3i3g h SER 113 N 0.91 0.00 -0.55 -3.80 4.64 -0.43 -2.56 113.55 111.76 3i3g h SER 113 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3i3g h SER 113 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3i3g h SER 113 CO -0.14 0.04 0.00 0.29 -0.87 0.00 0.00 176.83 176.14 3i3g n LYS 114 N -3.23 3.83 -0.65 4.77 5.02 -0.58 -4.94 118.16 122.39 3i3g n LYS 114 Ca -0.01 -2.89 0.00 0.00 -2.02 0.00 0.00 58.31 53.39 3i3g n LYS 114 Cb 0.22 -1.93 0.00 0.00 -0.02 0.00 0.00 35.03 33.30 3i3g n LYS 114 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i3g n GLY 115 N 0.69 0.80 3.70 0.72 0.00 -0.96 -4.74 105.19 105.39 3i3g n GLY 115 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 3i3g n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3g n TYR 117 N 0.05 0.03 -3.53 0.00 0.18 -0.70 -4.66 117.16 108.54 3i3g n TYR 117 Ca 0.06 0.01 -0.13 0.00 1.88 0.00 0.00 57.90 59.71 3i3g n TYR 117 Cb 0.38 -0.20 -0.04 0.00 -0.38 0.00 0.00 39.34 39.10 3i3g n TYR 117 CO 0.00 0.00 0.00 -1.59 -2.08 0.00 0.00 176.86 173.19 3i3g s LYS 118 N -3.17 1.12 -0.09 -3.48 -2.85 -1.26 -5.10 119.74 104.91 3i3g s LYS 118 Ca 0.03 -0.30 0.05 0.00 -1.00 0.00 0.00 55.97 54.75 3i3g s LYS 118 Cb 0.15 0.51 -0.00 0.00 -2.06 0.00 0.00 37.83 36.43 3i3g s LYS 118 CO 0.87 -0.43 -0.24 0.08 0.10 0.00 0.00 175.35 175.73 3i3g s VAL 119 N -2.84 2.01 0.14 1.79 1.01 -1.26 -1.43 120.40 119.81 3i3g s VAL 119 Ca -0.03 -1.01 0.08 0.00 0.00 0.00 0.00 61.98 61.02 3i3g s VAL 119 Cb -0.00 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 3i3g s VAL 119 CO -0.05 0.55 -0.19 0.27 0.00 0.00 0.00 175.10 175.68 3i3g s ILE 120 N 0.21 1.74 0.14 2.22 -4.36 0.10 -4.96 121.20 116.29 3i3g s ILE 120 Ca -0.14 -1.76 -0.24 0.00 -0.26 0.00 0.00 60.65 58.25 3i3g s ILE 120 Cb -0.17 -1.71 0.07 0.00 1.25 0.00 0.00 42.46 41.90 3i3g s ILE 120 CO 0.07 -0.23 0.63 -1.48 0.24 0.00 0.00 174.94 174.17 3i3g s LEU 121 N -2.37 -0.55 -0.15 0.37 0.05 -1.26 -1.25 118.68 113.52 3i3g s LEU 121 Ca 0.12 0.01 -0.06 0.00 0.05 0.00 0.00 54.13 54.25 3i3g s LEU 121 Cb -0.07 2.54 -0.04 0.00 -2.05 0.00 0.00 46.19 46.57 3i3g s LEU 121 CO 0.05 -0.93 0.07 -1.81 -0.55 0.00 0.00 176.35 173.19 3i3g s ASP 122 N -2.70 5.77 0.02 1.48 1.01 -1.26 -5.05 116.67 115.94 3i3g s ASP 122 Ca 0.01 0.21 0.05 0.00 0.71 0.00 0.00 52.55 53.53 3i3g s ASP 122 Cb -0.01 -1.89 -0.02 0.00 1.01 0.00 0.00 42.92 42.01 3i3g s ASP 122 CO -0.12 0.28 -0.15 -0.55 0.21 0.00 0.00 175.17 174.84 3i3g s SER 123 N -0.28 1.80 0.88 0.27 0.15 -1.26 -5.03 113.70 110.24 3i3g s SER 123 Ca 0.09 -0.38 -0.12 0.00 0.70 0.00 0.00 55.95 56.24 3i3g s SER 123 Cb -0.12 -0.16 0.12 0.00 -1.71 0.00 0.00 66.02 64.15 3i3g s SER 123 CO 0.01 0.12 1.12 -0.94 1.20 0.00 0.00 173.24 174.75 3i3g s SER 124 N -0.79 3.71 0.25 5.45 1.04 -1.26 -4.90 113.70 117.20 3i3g s SER 124 Ca 0.04 1.14 -0.04 0.00 0.48 0.00 0.00 55.95 57.57 3i3g s SER 124 Cb -0.07 -1.79 0.36 0.00 0.10 0.00 0.00 66.02 64.62 3i3g s SER 124 CO 0.01 -2.45 1.86 -0.33 0.98 0.00 0.00 173.24 173.31 3i3g h GLU 125 N -1.42 1.02 -0.20 4.02 4.39 -2.01 -2.51 114.58 117.87 3i3g h GLU 125 Ca -0.50 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.10 3i3g h GLU 125 Cb 1.31 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.72 3i3g h GLU 125 CO 0.60 0.67 -0.04 -0.22 -1.16 0.00 0.00 179.01 178.86 3i3g h LYS 126 N 1.05 0.30 -0.01 2.33 3.64 -2.06 -2.93 116.57 118.89 3i3g h LYS 126 Ca 0.39 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 3i3g h LYS 126 Cb 0.16 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3i3g h LYS 126 CO -0.17 0.36 -0.41 0.43 -2.27 0.00 0.00 179.45 177.38 3i3g n SER 127 N -4.33 1.14 -0.07 4.20 7.64 -0.96 -4.46 113.62 116.77 3i3g n SER 127 Ca -0.00 -0.91 -0.11 0.00 1.01 0.00 0.00 58.87 58.86 3i3g n SER 127 Cb 0.22 0.30 -0.05 0.00 -1.01 0.00 0.00 64.21 63.67 3i3g n SER 127 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3i3g h LEU 128 N 1.14 -1.36 -0.92 -3.43 3.38 -1.31 -1.57 115.31 111.24 3i3g h LEU 128 Ca 0.00 0.20 0.14 0.00 0.09 0.00 0.00 57.88 58.31 3i3g h LEU 128 Cb 0.56 0.58 -0.09 0.00 0.09 0.00 0.00 40.66 41.80 3i3g h LEU 128 CO 0.00 -0.39 0.53 -0.65 0.09 0.00 0.00 178.44 178.02 3i3g h PRO 129 N -0.39 0.76 -0.28 1.13 0.11 -1.81 0.16 132.00 131.69 3i3g h PRO 129 Ca 0.11 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 66.22 3i3g h PRO 129 Cb 0.60 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 31.50 3i3g h PRO 129 CO -0.50 0.50 0.05 0.35 -0.21 0.00 0.00 178.00 178.20 3i3g h PHE 130 N 0.78 0.08 -0.12 0.65 3.57 -1.58 -1.34 116.94 118.99 3i3g h PHE 130 Ca 0.48 0.02 -0.21 0.00 3.53 0.00 0.00 57.97 61.79 3i3g h PHE 130 Cb 0.60 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.35 3i3g h PHE 130 CO -0.04 0.02 -0.77 1.88 -2.23 0.00 0.00 178.31 177.16 3i3g h TYR 131 N 0.15 0.88 -0.36 0.41 0.05 -0.86 -3.13 116.97 114.11 3i3g h TYR 131 Ca 0.13 -0.39 -0.04 0.00 0.05 0.00 0.00 58.73 58.47 3i3g h TYR 131 Cb 0.13 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 3i3g h TYR 131 CO -0.17 1.20 0.05 0.93 -1.05 0.00 0.00 178.16 179.12 3i3g h GLU 132 N 0.44 0.53 0.00 4.88 5.08 -0.87 -1.18 114.58 123.46 3i3g h GLU 132 Ca -0.05 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.17 3i3g h GLU 132 Cb 1.39 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 3i3g h GLU 132 CO 0.15 0.53 -0.22 -0.22 -1.00 0.00 0.00 179.01 178.25 3i3g h LYS 133 N 0.52 0.00 -0.00 2.33 3.64 -1.20 -1.62 116.57 120.24 3i3g h LYS 133 Ca 0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3i3g h LYS 133 Cb 0.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3i3g h LYS 133 CO 0.00 0.22 -0.04 1.28 -2.27 0.00 0.00 179.45 178.64 3i3g n LEU 134 N -3.97 0.46 0.00 5.20 4.77 -0.54 -4.89 117.00 118.04 3i3g n LEU 134 Ca -0.02 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 3i3g n LEU 134 Cb 0.30 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3i3g n LEU 134 CO 0.35 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 3i3g n GLY 135 N 1.16 0.70 3.77 -0.72 0.00 -0.61 -5.09 105.19 104.41 3i3g n GLY 135 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 3i3g n GLY 135 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i3g s PHE 136 N -2.02 2.69 -0.01 1.61 0.40 -0.67 -4.96 117.98 115.03 3i3g s PHE 136 Ca 0.00 1.51 0.05 0.00 -0.60 0.00 0.00 56.93 57.89 3i3g s PHE 136 Cb 0.00 -3.46 -0.01 0.00 0.51 0.00 0.00 43.02 40.06 3i3g s PHE 136 CO 0.00 -1.84 -0.17 1.03 0.70 0.00 0.00 175.22 174.94 3i3g s ARG 137 N -2.87 1.38 0.19 0.44 1.81 -1.26 -3.85 118.95 114.79 3i3g s ARG 137 Ca 0.68 -0.66 -0.31 0.00 -1.72 0.00 0.00 55.73 53.72 3i3g s ARG 137 Cb -0.30 -1.35 -0.10 0.00 -0.45 0.00 0.00 34.95 32.74 3i3g s ARG 137 CO 0.36 0.37 1.53 0.00 -0.68 0.00 0.00 175.30 176.88 3i3g s ALA 138 N -0.46 3.73 0.00 2.13 0.00 -1.26 -4.93 121.76 120.97 3i3g s ALA 138 Ca 0.06 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.39 3i3g s ALA 138 Cb -0.07 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.45 3i3g s ALA 138 CO -0.00 -0.78 0.00 0.72 0.00 0.00 0.00 175.76 175.70 3i3g n HIS 139 N 3.46 0.00 -1.89 0.00 8.25 -1.26 -5.14 115.22 118.64 3i3g n HIS 139 Ca 0.12 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.28 3i3g n HIS 139 Cb 0.39 0.00 0.15 0.00 1.12 0.00 0.00 29.99 31.65 3i3g n HIS 139 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3i3g s GLU 140 N 0.90 1.06 -0.10 -0.41 2.02 -1.26 -5.07 118.70 115.83 3i3g s GLU 140 Ca 0.00 -0.20 0.00 0.00 0.02 0.00 0.00 54.97 54.79 3i3g s GLU 140 Cb 0.00 -1.87 -0.02 0.00 0.10 0.00 0.00 34.13 32.33 3i3g s GLU 140 CO 0.00 -2.16 -0.11 0.50 0.02 0.00 0.00 175.26 173.51 3i3g s ARG 141 N -5.75 3.10 0.04 1.61 6.06 -1.26 -5.09 118.95 117.65 3i3g s ARG 141 Ca 0.69 -0.64 -0.30 0.00 -2.50 0.00 0.00 55.73 52.98 3i3g s ARG 141 Cb -0.07 -2.60 -0.05 0.00 0.06 0.00 0.00 34.95 32.29 3i3g s ARG 141 CO 0.52 0.40 1.15 -1.14 -2.50 0.00 0.00 175.30 173.72 3i3g s GLN 142 N -0.12 4.46 -0.09 5.12 0.74 -1.26 -5.03 119.66 123.48 3i3g s GLN 142 Ca -0.00 1.68 -0.00 0.00 0.05 0.00 0.00 55.36 57.09 3i3g s GLN 142 Cb -0.13 -3.39 -0.03 0.00 1.10 0.00 0.00 33.01 30.56 3i3g s GLN 142 CO 0.03 -0.22 -0.07 -1.64 -0.55 0.00 0.00 175.29 172.84 3i3g s MET 143 N 1.13 3.02 -0.03 1.67 -1.94 -1.26 -5.12 119.30 116.78 3i3g s MET 143 Ca 0.57 -0.57 0.05 0.00 -1.71 0.00 0.00 55.69 54.03 3i3g s MET 143 Cb -0.27 -2.66 -0.01 0.00 2.01 0.00 0.00 34.83 33.91 3i3g s MET 143 CO 0.28 0.51 -0.16 0.50 -0.01 0.00 0.00 175.02 176.14 3i3g s ARG 144 N -0.39 1.50 -0.09 2.03 3.52 -1.26 -5.12 118.95 119.13 3i3g s ARG 144 Ca 0.06 -0.57 0.01 0.00 -0.13 0.00 0.00 55.73 55.09 3i3g s ARG 144 Cb -0.12 -1.37 0.02 0.00 -1.56 0.00 0.00 34.95 31.91 3i3g s ARG 144 CO 0.02 0.29 -0.09 -1.17 -0.81 0.00 0.00 175.30 173.54 3i3g s LEU 145 N -0.16 1.38 -0.13 -0.88 2.96 -1.26 -5.13 118.68 115.46 3i3g s LEU 145 Ca 0.01 -0.30 -0.17 0.00 -0.22 0.00 0.00 54.13 53.45 3i3g s LEU 145 Cb -0.09 -0.83 -0.04 0.00 0.50 0.00 0.00 46.19 45.73 3i3g s LEU 145 CO 0.01 -0.06 0.44 -1.81 -1.32 0.00 0.00 176.35 173.61 3i3g s ASP 146 N 1.28 6.62 0.00 3.68 1.01 -1.26 -5.37 116.67 122.63 3i3g s ASP 146 Ca -0.03 0.73 0.28 0.00 0.71 0.00 0.00 52.55 54.25 3i3g s ASP 146 Cb -0.14 -2.26 1.14 0.00 1.01 0.00 0.00 42.92 42.66 3i3g s ASP 146 CO -0.04 0.01 1.79 0.18 0.21 0.00 0.00 175.17 177.33