#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 -3.77 -4.91 -1.34 10.43 -1.26 -5.01 116.55 110.68 3i3g n ASP 6 Ca 0.00 0.06 -0.31 0.00 2.57 0.00 0.00 54.79 57.10 3i3g n ASP 6 Cb 0.00 -1.48 -0.04 0.00 1.84 0.00 0.00 41.12 41.44 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 -0.53 4.34 -0.03 0.64 1.43 -1.26 -1.80 118.68 121.47 3i3g s LEU 7 Ca 0.00 0.37 0.01 0.00 -1.03 0.00 0.00 54.13 53.49 3i3g s LEU 7 Cb 0.00 -3.02 0.01 0.00 0.03 0.00 0.00 46.19 43.21 3i3g s LEU 7 CO 0.00 0.15 -0.05 -1.83 0.23 0.00 0.00 176.35 174.85 3i3g s GLU 8 N -2.48 0.66 -0.29 1.70 -1.05 -0.50 -4.94 118.70 111.79 3i3g s GLU 8 Ca 0.36 -0.15 -0.15 0.00 -0.15 0.00 0.00 54.97 54.87 3i3g s GLU 8 Cb -0.13 -0.67 -0.03 0.00 -0.44 0.00 0.00 34.13 32.87 3i3g s GLU 8 CO 0.26 0.02 0.39 -1.17 0.95 0.00 0.00 175.26 175.71 3i3g s LEU 9 N 0.44 4.14 0.32 1.83 2.96 -1.26 -1.44 118.68 125.68 3i3g s LEU 9 Ca -0.06 0.17 -0.12 0.00 -0.22 0.00 0.00 54.13 53.90 3i3g s LEU 9 Cb -0.09 -2.44 0.02 0.00 0.50 0.00 0.00 46.19 44.18 3i3g s LEU 9 CO -0.00 -0.25 0.61 0.00 -1.32 0.00 0.00 176.35 175.39 3i3g s ARG 10 N 2.11 1.89 0.40 1.98 1.70 -0.72 -4.98 118.95 121.32 3i3g s ARG 10 Ca 0.15 -1.40 -0.24 0.00 -0.47 0.00 0.00 55.73 53.77 3i3g s ARG 10 Cb -0.16 0.53 -0.09 0.00 -0.57 0.00 0.00 34.95 34.66 3i3g s ARG 10 CO 0.11 -0.83 1.06 0.08 -1.08 0.00 0.00 175.30 174.63 3i3g s VAL 11 N -3.23 3.68 0.27 4.99 1.01 -1.26 -0.32 120.40 125.54 3i3g s VAL 11 Ca 0.21 1.30 -0.30 0.00 0.00 0.00 0.00 61.98 63.19 3i3g s VAL 11 Cb -0.03 -3.68 -0.11 0.00 0.00 0.00 0.00 36.38 32.56 3i3g s VAL 11 CO 0.12 0.02 1.53 -0.22 0.00 0.00 0.00 175.10 176.56 3i3g s LEU 12 N -2.60 4.36 0.26 3.92 2.96 0.34 -4.80 118.68 123.12 3i3g s LEU 12 Ca 0.57 2.83 0.06 0.00 -0.22 0.00 0.00 54.13 57.37 3i3g s LEU 12 Cb -0.23 -3.63 -0.06 0.00 0.50 0.00 0.00 46.19 42.78 3i3g s LEU 12 CO 0.29 -0.83 -0.04 -1.83 -1.32 0.00 0.00 176.35 172.62 3i3g s GLU 13 N -0.43 1.48 0.36 1.98 -1.05 -1.26 -4.97 118.70 114.81 3i3g s GLU 13 Ca 0.62 -1.75 0.10 0.00 -0.15 0.00 0.00 54.97 53.78 3i3g s GLU 13 Cb -0.45 -0.98 0.84 0.00 -0.44 0.00 0.00 34.13 33.10 3i3g s GLU 13 CO 0.46 -0.01 1.85 1.49 0.95 0.00 0.00 175.26 180.00 3i3g h GLU 14 N 2.34 0.65 0.00 -4.83 4.81 -2.01 0.23 114.58 115.77 3i3g h GLU 14 Ca -0.39 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 3i3g h GLU 14 Cb 1.23 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.46 3i3g h GLU 14 CO 0.66 0.43 0.00 0.43 -0.73 0.00 0.00 179.01 179.80 3i3g n SER 15 N -4.58 0.38 0.07 1.04 7.64 -1.26 -2.56 113.62 114.35 3i3g n SER 15 Ca 0.19 0.60 0.11 0.00 1.01 0.00 0.00 58.87 60.78 3i3g n SER 15 Cb 0.52 -0.68 -0.01 0.00 -1.01 0.00 0.00 64.21 63.03 3i3g n SER 15 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3i3g n ASP 16 N -1.93 0.66 -0.20 6.43 8.00 0.82 -4.65 116.55 125.67 3i3g n ASP 16 Ca 0.02 0.16 0.01 0.00 0.71 0.00 0.00 54.79 55.70 3i3g n ASP 16 Cb 0.18 0.73 0.11 0.00 -0.02 0.00 0.00 41.12 42.13 3i3g n ASP 16 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3i3g h LEU 17 N 0.00 -0.02 -0.11 0.64 3.38 -1.50 0.15 115.31 117.85 3i3g h LEU 17 Ca 0.00 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3i3g h LEU 17 Cb 0.93 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 3i3g h LEU 17 CO 0.00 -0.00 0.04 0.28 0.09 0.00 0.00 178.44 178.84 3i3g h SER 18 N 0.25 0.16 -0.18 -0.43 0.02 -1.83 -0.71 113.55 110.82 3i3g h SER 18 Ca 0.32 -0.18 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 3i3g h SER 18 Cb 0.49 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 3i3g h SER 18 CO -0.42 0.30 -0.04 -1.28 -1.14 0.00 0.00 176.83 174.25 3i3g h SER 19 N 0.01 0.46 -0.53 3.07 0.87 -1.70 -2.65 113.55 113.08 3i3g h SER 19 Ca 0.04 -0.09 -0.05 0.00 -1.23 0.00 0.00 61.79 60.46 3i3g h SER 19 Cb 0.19 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 3i3g h SER 19 CO -0.00 0.56 0.15 -0.74 -0.53 0.00 0.00 176.83 176.26 3i3g h HIS 20 N 0.47 0.86 -0.79 2.24 6.17 -0.39 -2.30 115.15 121.41 3i3g h HIS 20 Ca 0.10 -0.09 -0.02 0.00 0.71 0.00 0.00 60.37 61.06 3i3g h HIS 20 Cb 0.37 -0.25 -0.04 0.00 2.52 0.00 0.00 27.41 30.01 3i3g h HIS 20 CO 0.01 0.75 0.41 1.25 0.71 0.00 0.00 177.93 181.06 3i3g h LEU 21 N 0.73 1.00 -0.54 0.26 5.85 -0.80 -1.42 115.31 120.39 3i3g h LEU 21 Ca 0.17 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3i3g h LEU 21 Cb 0.30 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3i3g h LEU 21 CO -0.00 0.83 0.31 -0.08 -0.34 0.00 0.00 178.44 179.16 3i3g h GLU 22 N 1.11 0.75 -0.21 1.25 4.81 -1.22 -2.48 114.58 118.59 3i3g h GLU 22 Ca 0.28 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.44 3i3g h GLU 22 Cb 0.07 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 3i3g h GLU 22 CO -0.04 0.56 0.10 1.25 -0.73 0.00 0.00 179.01 180.15 3i3g h LEU 23 N 0.73 0.14 -2.72 1.64 5.85 -0.89 -1.92 115.31 118.14 3i3g h LEU 23 Ca 0.19 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3i3g h LEU 23 Cb 0.02 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 3i3g h LEU 23 CO -0.03 0.11 0.08 -0.07 -0.34 0.00 0.00 178.44 178.19 3i3g h LEU 24 N 0.21 0.00 -2.84 2.25 3.38 -0.95 -0.05 115.31 117.31 3i3g h LEU 24 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3i3g h LEU 24 Cb 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3i3g h LEU 24 CO -0.06 0.00 0.05 1.23 0.09 0.00 0.00 178.44 179.75 3i3g h GLY 25 N 0.00 0.00 1.78 0.83 0.00 -0.90 -0.11 103.07 104.66 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 -0.15 1.42 0.00 0.00 0.00 176.54 177.81 3i3g n HIS 26 N -3.08 0.66 -0.12 5.60 8.25 -0.03 -4.01 115.22 122.49 3i3g n HIS 26 Ca -0.03 0.19 -0.17 0.00 -0.26 0.00 0.00 57.72 57.46 3i3g n HIS 26 Cb 0.12 -0.78 -0.11 0.00 1.12 0.00 0.00 29.99 30.34 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 -2.07 2.90 0.00 2.41 7.94 -0.11 -5.07 117.00 123.00 3i3g n LEU 27 Ca 0.05 -0.10 -0.08 0.00 -1.11 0.00 0.00 56.01 54.78 3i3g n LEU 27 Cb 0.41 -0.81 0.03 0.00 0.53 0.00 0.00 43.42 43.58 3i3g n LEU 27 CO 0.31 0.87 0.58 1.07 -1.11 0.00 0.00 177.39 179.11 3i3g n THR 28 N -3.24 0.00 -1.68 1.96 5.66 -0.89 -5.12 114.28 110.98 3i3g n THR 28 Ca -0.42 -0.93 -0.48 0.00 -3.05 0.00 0.00 64.05 59.18 3i3g n THR 28 Cb 0.93 0.96 -0.05 0.00 -1.55 0.00 0.00 70.33 70.63 3i3g n THR 28 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 3i3g n GLU 29 N -0.56 2.17 -3.18 1.09 2.13 -1.26 -4.26 120.64 116.77 3i3g n GLU 29 Ca -0.08 0.79 -0.22 0.00 0.66 0.00 0.00 57.16 58.31 3i3g n GLU 29 Cb 0.59 -2.62 -0.06 0.00 0.27 0.00 0.00 31.44 29.62 3i3g n GLU 29 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i3g n ALA 30 N 5.96 2.20 -1.05 4.31 0.00 -1.26 -4.97 120.51 125.69 3i3g n ALA 30 Ca 0.21 -3.34 -0.34 0.00 0.00 0.00 0.00 53.44 49.98 3i3g n ALA 30 Cb 0.29 -0.86 0.12 0.00 0.00 0.00 0.00 19.45 19.01 3i3g n ALA 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3i3g n PRO 31 N 1.12 0.09 -1.70 0.00 -0.04 -1.26 -4.87 135.00 128.34 3i3g n PRO 31 Ca 0.22 0.10 -0.40 0.00 -0.04 0.00 0.00 63.50 63.37 3i3g n PRO 31 Cb 0.57 -2.25 0.02 0.00 -0.04 0.00 0.00 33.50 31.79 3i3g n PRO 31 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3i3g n PRO 32 N -2.72 1.79 -4.11 0.54 -0.02 -1.26 -5.04 135.00 124.19 3i3g n PRO 32 Ca 0.12 0.64 -0.14 0.00 -2.02 0.00 0.00 63.50 62.10 3i3g n PRO 32 Cb 0.51 -2.39 -0.12 0.00 -0.02 0.00 0.00 33.50 31.48 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 -1.95 2.17 0.77 2.45 1.43 -1.26 -5.15 118.68 117.14 3i3g s LEU 33 Ca 0.64 -0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 53.23 3i3g s LEU 33 Cb -0.49 -0.22 0.06 0.00 0.03 0.00 0.00 46.19 45.57 3i3g s LEU 33 CO 0.56 -0.11 1.08 -0.94 0.23 0.00 0.00 176.35 177.17 3i3g s SER 34 N -1.09 4.62 0.26 2.29 1.04 -1.26 -4.80 113.70 114.75 3i3g s SER 34 Ca -0.06 1.60 -0.02 0.00 0.48 0.00 0.00 55.95 57.95 3i3g s SER 34 Cb -0.07 -2.36 0.43 0.00 0.10 0.00 0.00 66.02 64.11 3i3g s SER 34 CO 0.00 -1.93 1.86 1.23 0.98 0.00 0.00 173.24 175.38 3i3g h GLY 35 N -1.06 1.50 0.94 7.32 0.00 -2.01 0.18 103.07 109.94 3i3g h GLY 35 Ca -0.45 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 46.42 3i3g h GLY 35 CO 0.55 0.27 0.17 -2.08 0.00 0.00 0.00 176.54 175.45 3i3g h VAL 36 N 1.08 1.18 -0.38 4.60 2.07 -1.99 -0.74 116.25 122.06 3i3g h VAL 36 Ca 0.44 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 3i3g h VAL 36 Cb 0.25 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 3i3g h VAL 36 CO -0.20 0.19 0.16 -0.33 0.02 0.00 0.00 177.57 177.41 3i3g h GLU 37 N 0.47 0.57 -0.38 1.57 5.08 -1.77 -2.12 114.58 118.00 3i3g h GLU 37 Ca 0.13 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3i3g h GLU 37 Cb 0.15 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 3i3g h GLU 37 CO -0.01 0.54 0.22 -0.07 -1.00 0.00 0.00 179.01 178.69 3i3g h LEU 38 N 0.48 0.36 -0.63 1.33 3.38 -0.85 -2.01 115.31 117.37 3i3g h LEU 38 Ca 0.13 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.14 3i3g h LEU 38 Cb 0.18 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 3i3g h LEU 38 CO -0.01 0.26 0.37 0.00 0.09 0.00 0.00 178.44 179.14 3i3g h ALA 39 N 1.17 0.82 -0.78 1.53 0.00 -0.96 -0.63 119.26 120.40 3i3g h ALA 39 Ca 0.15 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3i3g h ALA 39 Cb 0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3i3g h ALA 39 CO -0.07 0.08 0.31 -0.91 0.00 0.00 0.00 179.25 178.66 3i3g h ASN 40 N 0.71 1.07 -0.32 0.00 2.35 -1.09 -1.01 115.58 117.28 3i3g h ASN 40 Ca 0.26 -0.16 -0.05 0.00 -0.55 0.00 0.00 56.30 55.81 3i3g h ASN 40 Cb 0.09 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 3i3g h ASN 40 CO -0.13 0.95 0.02 0.40 -1.65 0.00 0.00 177.43 177.02 3i3g h ILE 41 N 1.14 1.25 -0.83 2.81 2.04 -0.87 -1.29 117.51 121.76 3i3g h ILE 41 Ca 0.26 -0.90 0.07 0.00 1.00 0.00 0.00 64.86 65.29 3i3g h ILE 41 Cb 0.21 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.44 3i3g h ILE 41 CO -0.02 0.29 0.54 0.00 0.00 0.00 0.00 178.15 178.96 3i3g h ALA 42 N 0.87 1.60 -0.10 1.87 0.00 -0.87 -0.32 119.26 122.31 3i3g h ALA 42 Ca 0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3i3g h ALA 42 Cb 0.40 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3i3g h ALA 42 CO 0.01 0.27 0.04 -0.44 0.00 0.00 0.00 179.25 179.14 3i3g h ASP 43 N 0.91 0.13 -0.89 0.00 5.19 -0.81 -1.70 116.42 119.25 3i3g h ASP 43 Ca 0.36 -0.16 -0.00 0.00 -0.62 0.00 0.00 57.03 56.61 3i3g h ASP 43 Cb 0.23 -0.03 -0.04 0.00 0.18 0.00 0.00 39.33 39.66 3i3g h ASP 43 CO -0.13 0.25 0.55 0.24 -3.12 0.00 0.00 179.24 177.03 3i3g h MET 44 N 0.00 1.20 -0.50 3.56 2.86 -0.54 -0.93 114.93 120.58 3i3g h MET 44 Ca 0.03 -0.10 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 3i3g h MET 44 Cb 0.16 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 3i3g h MET 44 CO -0.00 0.83 0.12 0.00 1.06 0.00 0.00 176.91 178.92 3i3g h ARG 45 N 1.22 0.80 -0.62 1.72 3.08 -0.93 -1.99 114.38 117.66 3i3g h ARG 45 Ca 0.32 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 3i3g h ARG 45 Cb -0.07 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 29.84 3i3g h ARG 45 CO -0.06 0.77 0.25 0.00 -1.07 0.00 0.00 179.97 179.86 3i3g h ARG 46 N 0.69 0.91 -0.09 0.04 3.08 -0.88 -1.31 114.38 116.82 3i3g h ARG 46 Ca 0.16 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 3i3g h ARG 46 Cb 0.33 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3i3g h ARG 46 CO 0.00 0.75 -0.03 0.00 -1.07 0.00 0.00 179.97 179.62 3i3g h ARG 47 N 0.90 0.13 -0.06 0.04 2.47 -0.65 -0.26 114.38 116.95 3i3g h ARG 47 Ca 0.21 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.91 3i3g h ARG 47 Cb 0.18 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.47 3i3g h ARG 47 CO -0.02 0.18 0.00 0.00 0.56 0.00 0.00 179.97 180.69 3i3g n ALA 48 N -2.51 2.59 -1.04 0.04 0.00 -0.70 -4.88 120.51 114.00 3i3g n ALA 48 Ca -0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 53.44 53.12 3i3g n ALA 48 Cb 0.16 -1.25 -0.01 0.00 0.00 0.00 0.00 19.45 18.36 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 0.97 0.50 3.72 0.00 0.00 -0.11 -4.93 105.19 105.34 3i3g n GLY 49 Ca 0.16 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.92 3.94 -0.14 -0.61 1.01 -0.58 -4.56 121.20 118.34 3i3g s ILE 50 Ca 0.00 1.47 -0.02 0.00 0.00 0.00 0.00 60.65 62.09 3i3g s ILE 50 Cb 0.00 -3.94 -0.02 0.00 0.01 0.00 0.00 42.46 38.51 3i3g s ILE 50 CO 0.00 0.15 -0.06 -0.69 0.00 0.00 0.00 174.94 174.34 3i3g s VAL 51 N 0.68 3.66 -0.18 2.92 1.01 -0.32 -4.36 120.40 123.80 3i3g s VAL 51 Ca 0.56 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.10 3i3g s VAL 51 Cb -0.30 -2.58 0.01 0.00 0.00 0.00 0.00 36.38 33.51 3i3g s VAL 51 CO 0.31 0.51 -0.17 -0.89 0.00 0.00 0.00 175.10 174.86 3i3g s THR 52 N 0.26 2.37 -0.10 3.92 2.01 -1.26 0.28 115.64 123.12 3i3g s THR 52 Ca -0.05 -0.84 -0.04 0.00 0.31 0.00 0.00 61.69 61.07 3i3g s THR 52 Cb -0.14 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 3i3g s THR 52 CO 0.04 0.52 0.07 -0.54 -0.69 0.00 0.00 174.62 174.01 3i3g s LYS 53 N 1.20 3.21 0.07 4.92 -0.14 -0.43 -0.51 119.74 128.07 3i3g s LYS 53 Ca 0.02 -0.27 0.04 0.00 -1.36 0.00 0.00 55.97 54.40 3i3g s LYS 53 Cb -0.14 -2.99 -0.03 0.00 -1.68 0.00 0.00 37.83 32.99 3i3g s LYS 53 CO -0.08 0.74 -0.11 0.14 -0.76 0.00 0.00 175.35 175.28 3i3g s VAL 54 N -0.95 0.87 -0.16 3.17 -7.23 0.56 -1.52 120.40 115.14 3i3g s VAL 54 Ca 0.14 -1.38 -0.14 0.00 -1.81 0.00 0.00 61.98 58.79 3i3g s VAL 54 Cb -0.12 -1.06 -0.05 0.00 0.56 0.00 0.00 36.38 35.72 3i3g s VAL 54 CO 0.03 -0.41 0.31 -0.36 -0.31 0.00 0.00 175.10 174.36 3i3g s PHE 55 N -1.80 3.45 -0.07 2.82 0.08 0.26 -1.76 117.98 120.96 3i3g s PHE 55 Ca -0.01 0.60 0.04 0.00 0.12 0.00 0.00 56.93 57.68 3i3g s PHE 55 Cb -0.07 -2.37 0.00 0.00 -0.57 0.00 0.00 43.02 40.02 3i3g s PHE 55 CO 0.01 0.21 -0.18 0.00 -0.10 0.00 0.00 175.22 175.15 3i3g s HIS 57 N 0.29 2.19 0.25 0.00 2.46 -0.20 -1.42 115.29 118.87 3i3g s HIS 57 Ca -0.11 -0.08 -0.04 0.00 0.47 0.00 0.00 55.06 55.29 3i3g s HIS 57 Cb -0.15 -4.47 0.51 0.00 -0.13 0.00 0.00 32.58 28.34 3i3g s HIS 57 CO 0.05 -2.01 1.65 1.96 -2.47 0.00 0.00 174.74 173.92 3i3g h GLN 58 N 10.93 0.17 -0.98 2.88 4.20 -1.67 0.96 115.11 131.59 3i3g h GLN 58 Ca -0.05 -0.01 0.14 0.00 0.06 0.00 0.00 58.65 58.80 3i3g h GLN 58 Cb 1.05 -0.04 -0.09 0.00 0.30 0.00 0.00 27.48 28.70 3i3g h GLN 58 CO 1.31 0.11 0.62 -1.35 -0.67 0.00 0.00 178.83 178.85 3i3g h PRO 59 N 0.18 0.85 0.00 1.46 0.11 -1.90 -3.01 132.00 129.68 3i3g h PRO 59 Ca 0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.51 3i3g h PRO 59 Cb 0.81 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.73 3i3g h PRO 59 CO -0.62 0.56 -1.05 0.25 -0.21 0.00 0.00 178.00 176.94 3i3g n THR 60 N -4.64 0.00 -1.00 -1.15 -2.24 -0.72 -5.00 114.28 99.53 3i3g n THR 60 Ca 0.20 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 3i3g n THR 60 Cb 0.43 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 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 1.76 0.51 3.72 3.38 0.00 0.32 -5.00 105.19 109.88 3i3g n GLY 61 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.02 4.31 -0.29 1.61 3.52 -1.20 -4.71 118.95 122.18 3i3g s ARG 62 Ca 0.00 2.12 -0.23 0.00 -0.13 0.00 0.00 55.73 57.49 3i3g s ARG 62 Cb 0.00 -3.22 -0.00 0.00 -1.56 0.00 0.00 34.95 30.16 3i3g s ARG 62 CO 0.00 -0.44 0.77 0.42 -0.81 0.00 0.00 175.30 175.24 3i3g s ILE 63 N 0.96 4.83 -0.25 4.11 -1.09 -1.26 -1.04 121.20 127.47 3i3g s ILE 63 Ca 0.64 1.21 0.02 0.00 -2.23 0.00 0.00 60.65 60.30 3i3g s ILE 63 Cb -0.38 -4.11 0.03 0.00 -1.58 0.00 0.00 42.46 36.42 3i3g s ILE 63 CO 0.32 -0.18 0.68 1.33 -1.23 0.00 0.00 174.94 175.86 3i3g n VAL 64 N 5.45 0.24 -3.60 2.92 0.24 -0.51 -4.71 118.33 118.35 3i3g n VAL 64 Ca 0.03 -0.62 -0.14 0.00 -2.04 0.00 0.00 64.34 61.57 3i3g n VAL 64 Cb 0.48 0.92 -0.07 0.00 -1.47 0.00 0.00 33.84 33.70 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 -0.38 -0.47 -0.06 7.63 0.00 -1.19 -0.74 107.32 112.11 3i3g s GLY 65 Ca 0.03 1.97 -0.19 0.00 0.00 0.00 0.00 44.72 46.52 3i3g s GLY 65 CO 0.03 1.53 0.44 -0.45 0.00 0.00 0.00 173.10 174.65 3i3g s SER 66 N -0.11 -0.38 -0.23 1.64 0.15 -0.14 -0.58 113.70 114.05 3i3g s SER 66 Ca -0.02 0.46 -0.18 0.00 0.70 0.00 0.00 55.95 56.91 3i3g s SER 66 Cb -0.04 0.54 0.06 0.00 -1.71 0.00 0.00 66.02 64.87 3i3g s SER 66 CO 0.02 -0.41 0.59 0.00 1.20 0.00 0.00 173.24 174.64 3i3g s ALA 67 N -0.88 -1.50 0.13 5.45 0.00 -0.58 -1.07 121.76 123.31 3i3g s ALA 67 Ca -0.09 1.82 0.08 0.00 0.00 0.00 0.00 51.96 53.76 3i3g s ALA 67 Cb -0.03 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 21.98 3i3g s ALA 67 CO 0.05 -0.30 -0.10 -1.12 0.00 0.00 0.00 175.76 174.29 3i3g s SER 68 N 0.76 4.35 -0.06 0.00 0.01 -0.25 -1.32 113.70 117.20 3i3g s SER 68 Ca -0.04 -0.45 0.02 0.00 1.31 0.00 0.00 55.95 56.79 3i3g s SER 68 Cb -0.05 -0.80 0.02 0.00 0.21 0.00 0.00 66.02 65.40 3i3g s SER 68 CO -0.06 0.15 -0.09 -0.22 0.41 0.00 0.00 173.24 173.43 3i3g s LEU 69 N -2.42 1.50 -0.25 2.44 2.96 0.14 -0.44 118.68 122.62 3i3g s LEU 69 Ca 0.22 -0.25 0.02 0.00 -0.22 0.00 0.00 54.13 53.91 3i3g s LEU 69 Cb -0.10 -0.71 0.05 0.00 0.50 0.00 0.00 46.19 45.92 3i3g s LEU 69 CO 0.14 -0.01 -0.12 -0.04 -1.32 0.00 0.00 176.35 175.01 3i3g s MET 70 N 0.85 2.43 -0.35 1.98 -1.94 0.88 -1.17 119.30 121.97 3i3g s MET 70 Ca -0.12 -1.23 -0.18 0.00 -1.71 0.00 0.00 55.69 52.46 3i3g s MET 70 Cb -0.15 -2.86 -0.00 0.00 2.01 0.00 0.00 34.83 33.83 3i3g s MET 70 CO 0.01 -0.50 0.52 0.42 -0.01 0.00 0.00 175.02 175.47 3i3g s ILE 71 N 1.16 5.01 -0.25 2.53 1.01 -1.26 -0.47 121.20 128.92 3i3g s ILE 71 Ca -0.06 0.36 -0.02 0.00 0.00 0.00 0.00 60.65 60.93 3i3g s ILE 71 Cb -0.18 -3.97 0.03 0.00 0.01 0.00 0.00 42.46 38.34 3i3g s ILE 71 CO -0.06 -0.23 -0.06 -1.10 0.00 0.00 0.00 174.94 173.50 3i3g s GLN 72 N 2.42 2.85 0.40 2.79 -0.21 -0.49 -4.94 119.66 122.48 3i3g s GLN 72 Ca 0.19 -0.97 -0.26 0.00 0.02 0.00 0.00 55.36 54.35 3i3g s GLN 72 Cb -0.15 -2.99 -0.09 0.00 1.00 0.00 0.00 33.01 30.78 3i3g s GLN 72 CO 0.13 -0.40 1.20 -2.14 -2.12 0.00 0.00 175.29 171.97 3i3g s PRO 73 N 1.33 4.05 0.24 2.91 0.02 -1.26 -0.57 135.00 141.72 3i3g s PRO 73 Ca 0.00 1.93 0.11 0.00 0.02 0.00 0.00 61.00 63.06 3i3g s PRO 73 Cb -0.17 -2.72 -0.05 0.00 0.02 0.00 0.00 34.50 31.59 3i3g s PRO 73 CO -0.04 -0.35 -0.18 0.15 -0.33 0.00 0.00 177.00 176.24 3i3g s LYS 74 N -2.25 1.73 0.21 5.54 -0.14 -1.24 -4.91 119.74 118.68 3i3g s LYS 74 Ca 0.57 -1.62 0.11 0.00 -1.36 0.00 0.00 55.97 53.66 3i3g s LYS 74 Cb -0.33 -1.87 0.06 0.00 -1.68 0.00 0.00 37.83 34.02 3i3g s LYS 74 CO 0.42 0.36 1.43 0.74 -0.76 0.00 0.00 175.35 177.54 3i3g h PHE 75 N 2.55 0.00 -4.09 3.18 -1.00 -1.91 -3.28 116.94 112.40 3i3g h PHE 75 Ca -0.43 0.00 -0.45 0.00 2.81 0.00 0.00 57.97 59.90 3i3g h PHE 75 Cb 1.24 0.00 0.15 0.00 3.61 0.00 0.00 35.95 40.95 3i3g h PHE 75 CO 0.75 0.75 0.36 0.95 -1.61 0.00 0.00 178.31 179.51 3i3g s THR 76 N -3.04 1.94 -1.64 -1.55 -4.23 -1.26 -3.81 115.64 102.05 3i3g s THR 76 Ca 0.01 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.46 3i3g s THR 76 Cb 0.10 -2.88 0.06 0.00 1.34 0.00 0.00 72.50 71.12 3i3g s THR 76 CO 0.78 0.00 0.16 -1.14 -0.54 0.00 0.00 174.62 173.87 3i3g n ARG 77 N -3.83 -0.90 -1.78 3.99 0.63 -1.26 -0.90 116.66 112.61 3i3g n ARG 77 Ca 0.12 0.10 -0.20 0.00 -0.92 0.00 0.00 57.85 56.96 3i3g n ARG 77 Cb 0.60 -3.88 -0.07 0.00 0.45 0.00 0.00 32.46 29.56 3i3g n ARG 77 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i3g n GLY 78 N -2.20 1.29 1.16 5.14 0.00 -1.26 -2.37 105.19 106.95 3i3g n GLY 78 Ca -0.21 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.67 0.73 3.75 -0.02 0.00 -0.08 -5.04 105.19 103.87 3i3g n GLY 79 Ca -0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.45 4.39 0.64 1.61 0.52 -1.00 -4.23 118.95 120.43 3i3g s ARG 80 Ca 0.00 2.11 -0.07 0.00 -0.52 0.00 0.00 55.73 57.25 3i3g s ARG 80 Cb 0.00 -3.14 0.02 0.00 0.52 0.00 0.00 34.95 32.35 3i3g s ARG 80 CO 0.00 -0.19 0.97 0.00 0.02 0.00 0.00 175.30 176.10 3i3g s ALA 81 N -0.53 3.18 -0.12 2.13 0.00 -1.25 -3.67 121.76 121.50 3i3g s ALA 81 Ca 0.53 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.84 3i3g s ALA 81 Cb -0.38 -2.70 -0.01 0.00 0.00 0.00 0.00 23.12 20.03 3i3g s ALA 81 CO 0.45 -0.97 -0.16 0.08 0.00 0.00 0.00 175.76 175.15 3i3g s VAL 82 N -3.12 2.77 -0.32 0.00 1.01 0.26 -2.26 120.40 118.74 3i3g s VAL 82 Ca 0.56 -0.76 -0.23 0.00 0.00 0.00 0.00 61.98 61.55 3i3g s VAL 82 Cb -0.11 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.14 3i3g s VAL 82 CO 0.47 0.53 0.78 -0.83 0.00 0.00 0.00 175.10 176.05 3i3g s GLY 83 N 0.35 1.70 -0.38 4.51 0.00 -0.58 -1.39 107.32 111.52 3i3g s GLY 83 Ca -0.13 -0.50 -0.13 0.00 0.00 0.00 0.00 44.72 43.96 3i3g s GLY 83 CO 0.07 1.73 0.25 0.30 0.00 0.00 0.00 173.10 175.45 3i3g s HIS 84 N 2.98 3.24 -0.08 1.90 3.76 0.37 -0.48 115.29 126.97 3i3g s HIS 84 Ca 0.32 -0.68 -0.20 0.00 -0.15 0.00 0.00 55.06 54.34 3i3g s HIS 84 Cb -0.14 -2.51 -0.04 0.00 1.11 0.00 0.00 32.58 31.00 3i3g s HIS 84 CO 0.14 -0.58 0.56 0.42 -0.85 0.00 0.00 174.74 174.43 3i3g s ILE 85 N 1.63 5.09 0.07 0.60 1.01 -0.47 -0.09 121.20 129.05 3i3g s ILE 85 Ca 0.04 1.15 0.04 0.00 0.00 0.00 0.00 60.65 61.88 3i3g s ILE 85 Cb -0.19 -3.90 -0.03 0.00 0.01 0.00 0.00 42.46 38.35 3i3g s ILE 85 CO 0.09 0.33 -0.12 -1.61 0.00 0.00 0.00 174.94 173.62 3i3g s GLU 86 N 0.47 0.77 -1.07 2.79 0.41 0.41 -4.47 118.70 118.02 3i3g s GLU 86 Ca 0.30 -0.96 -0.15 0.00 -0.41 0.00 0.00 54.97 53.75 3i3g s GLU 86 Cb -0.16 -0.68 -0.02 0.00 -1.78 0.00 0.00 34.13 31.49 3i3g s GLU 86 CO 0.14 0.14 0.80 -0.25 -0.49 0.00 0.00 175.26 175.60 3i3g n ASP 87 N 1.17 -5.78 -4.64 -0.19 8.00 -1.26 -1.09 116.55 112.77 3i3g n ASP 87 Ca -0.20 -0.88 -0.41 0.00 0.71 0.00 0.00 54.79 54.01 3i3g n ASP 87 Cb 0.55 -3.80 -0.06 0.00 -0.02 0.00 0.00 41.12 37.80 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 -3.39 4.96 -0.09 2.53 1.01 -1.26 -4.09 120.40 120.07 3i3g s VAL 88 Ca 0.41 1.26 -0.07 0.00 0.00 0.00 0.00 61.98 63.58 3i3g s VAL 88 Cb -0.13 -3.98 0.03 0.00 0.00 0.00 0.00 36.38 32.30 3i3g s VAL 88 CO 0.83 0.02 0.22 0.54 0.00 0.00 0.00 175.10 176.72 3i3g s VAL 89 N 2.43 -0.02 -0.04 2.92 0.11 -0.23 -5.02 120.40 120.56 3i3g s VAL 89 Ca 0.29 0.06 0.04 0.00 -2.93 0.00 0.00 61.98 59.43 3i3g s VAL 89 Cb -0.16 -0.33 -0.00 0.00 -1.53 0.00 0.00 36.38 34.36 3i3g s VAL 89 CO 0.09 0.02 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.04 3i3g s VAL 90 N 0.53 1.26 0.16 2.04 1.01 -1.26 -0.97 120.40 123.17 3i3g s VAL 90 Ca -0.03 -0.62 -0.33 0.00 0.00 0.00 0.00 61.98 61.00 3i3g s VAL 90 Cb -0.05 -1.10 -0.13 0.00 0.00 0.00 0.00 36.38 35.11 3i3g s VAL 90 CO -0.03 0.37 1.66 -0.67 0.00 0.00 0.00 175.10 176.44 3i3g n ASP 91 N 3.25 3.50 -0.13 3.32 4.64 0.08 -4.84 116.55 126.37 3i3g n ASP 91 Ca -0.19 1.06 0.24 0.00 -1.38 0.00 0.00 54.79 54.53 3i3g n ASP 91 Cb 0.53 -1.48 0.68 0.00 -1.04 0.00 0.00 41.12 39.80 3i3g n ASP 91 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 3i3g h PRO 92 N 6.60 0.07 0.00 -0.67 0.13 -1.99 0.26 132.00 136.40 3i3g h PRO 92 Ca -0.45 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3i3g h PRO 92 Cb 1.23 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 3i3g h PRO 92 CO 0.92 0.05 -0.02 0.77 -0.23 0.00 0.00 178.00 179.49 3i3g h SER 93 N 0.07 0.00 -0.46 1.44 0.02 -1.97 -2.06 113.55 110.60 3i3g h SER 93 Ca 0.38 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 61.17 3i3g h SER 93 Cb 1.39 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.84 3i3g h SER 93 CO -0.03 0.02 0.09 -1.22 -1.14 0.00 0.00 176.83 174.54 3i3g n TYR 94 N -3.22 1.50 0.17 3.45 4.01 0.91 -4.64 117.16 119.33 3i3g n TYR 94 Ca -0.02 -1.29 0.11 0.00 -0.16 0.00 0.00 57.90 56.54 3i3g n TYR 94 Cb 0.17 -0.51 0.57 0.00 -0.31 0.00 0.00 39.34 39.26 3i3g n TYR 94 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 3i3g n ARG 95 N -0.72 0.14 -0.04 -0.72 1.85 -0.78 -1.43 116.66 114.96 3i3g n ARG 95 Ca 0.33 0.63 0.04 0.00 -1.00 0.00 0.00 57.85 57.85 3i3g n ARG 95 Cb 1.12 -2.00 0.06 0.00 -1.05 0.00 0.00 32.46 30.59 3i3g n ARG 95 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3i3g n GLY 96 N -1.29 3.60 0.01 2.89 0.00 -1.26 -4.63 105.19 104.51 3i3g n GLY 96 Ca -0.01 -0.40 0.10 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.73 4.62 -2.34 4.61 0.00 -0.51 -4.99 120.51 121.17 3i3g n ALA 97 Ca 0.06 -0.57 -0.12 0.00 0.00 0.00 0.00 53.44 52.81 3i3g n ALA 97 Cb 0.40 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 1.48 -0.09 0.24 0.00 0.00 -1.26 -4.93 105.19 100.63 3i3g n GLY 98 Ca 0.04 -0.36 -0.07 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.19 0.65 0.03 0.99 3.38 -1.94 -3.03 115.31 115.20 3i3g h LEU 99 Ca -0.28 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.46 3i3g h LEU 99 Cb 1.21 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 3i3g h LEU 99 CO 0.33 0.91 -0.18 1.23 0.09 0.00 0.00 178.44 180.82 3i3g h GLY 100 N 1.01 -0.26 0.63 0.83 0.00 -1.92 -0.62 103.07 102.73 3i3g h GLY 100 Ca 0.06 0.21 0.05 0.00 0.00 0.00 0.00 47.33 47.66 3i3g h GLY 100 CO 0.06 -0.17 0.14 1.70 0.00 0.00 0.00 176.54 178.28 3i3g h LYS 101 N -0.31 0.29 -0.43 4.80 3.64 -1.97 -1.29 116.57 121.30 3i3g h LYS 101 Ca 0.05 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 3i3g h LYS 101 Cb 0.36 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 3i3g h LYS 101 CO -0.15 0.20 0.27 0.00 -2.27 0.00 0.00 179.45 177.50 3i3g h ALA 102 N 1.27 0.55 0.09 5.00 0.00 -1.35 -0.63 119.26 124.19 3i3g h ALA 102 Ca 0.19 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3i3g h ALA 102 Cb 0.18 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3i3g h ALA 102 CO -0.20 -0.03 -0.04 -0.07 0.00 0.00 0.00 179.25 178.91 3i3g h LEU 103 N 0.56 -0.10 -0.19 0.00 3.38 -0.79 -1.27 115.31 116.90 3i3g h LEU 103 Ca 0.16 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3i3g h LEU 103 Cb -0.04 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3i3g h LEU 103 CO -0.05 -0.03 0.12 0.40 0.09 0.00 0.00 178.44 178.97 3i3g h ILE 104 N -0.16 1.05 -0.73 1.22 1.08 -1.07 -1.81 117.51 117.10 3i3g h ILE 104 Ca -0.01 -0.11 0.04 0.00 -0.39 0.00 0.00 64.86 64.38 3i3g h ILE 104 Cb 0.13 0.79 -0.05 0.00 -3.07 0.00 0.00 36.82 34.62 3i3g h ILE 104 CO 0.02 0.05 0.46 0.24 -0.69 0.00 0.00 178.15 178.23 3i3g h MET 105 N 0.25 0.86 -0.21 2.37 2.86 -1.07 -0.50 114.93 119.49 3i3g h MET 105 Ca 0.07 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.69 3i3g h MET 105 Cb -0.02 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.41 3i3g h MET 105 CO -0.01 0.57 -0.01 0.22 1.06 0.00 0.00 176.91 178.73 3i3g h ASP 106 N 0.88 -0.11 -0.11 1.22 3.58 -0.88 -0.85 116.42 120.15 3i3g h ASP 106 Ca 0.30 0.05 -0.07 0.00 0.42 0.00 0.00 57.03 57.73 3i3g h ASP 106 Cb 0.04 0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 3i3g h ASP 106 CO -0.12 -0.03 -0.12 -0.07 -2.88 0.00 0.00 179.24 176.02 3i3g h LEU 107 N 0.05 0.43 -0.74 2.28 3.38 -0.86 -1.68 115.31 118.17 3i3g h LEU 107 Ca 0.10 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 3i3g h LEU 107 Cb 0.13 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3i3g h LEU 107 CO -0.18 0.59 -0.03 0.00 0.09 0.00 0.00 178.44 178.91 3i3g h GLU 109 N 0.85 0.55 -0.29 0.00 4.57 -0.67 0.02 114.58 119.61 3i3g h GLU 109 Ca 0.15 -0.17 0.03 0.00 -1.18 0.00 0.00 59.36 58.19 3i3g h GLU 109 Cb 0.55 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.06 3i3g h GLU 109 CO 0.03 0.68 0.11 0.82 -1.18 0.00 0.00 179.01 179.47 3i3g h ILE 110 N 0.35 0.93 -0.38 2.32 2.04 -1.17 -0.63 117.51 120.97 3i3g h ILE 110 Ca 0.09 -0.08 0.07 0.00 1.00 0.00 0.00 64.86 65.94 3i3g h ILE 110 Cb 0.43 0.67 -0.06 0.00 -0.74 0.00 0.00 36.82 37.12 3i3g h ILE 110 CO 0.01 0.04 -0.00 0.28 0.00 0.00 0.00 178.15 178.48 3i3g h SER 111 N 0.24 -0.17 -0.57 1.72 0.02 -0.87 -1.61 113.55 112.32 3i3g h SER 111 Ca 0.13 0.09 0.09 0.00 -0.84 0.00 0.00 61.79 61.26 3i3g h SER 111 Cb 0.09 0.16 -0.07 0.00 0.14 0.00 0.00 62.40 62.72 3i3g h SER 111 CO -0.12 -0.05 0.18 0.03 -1.14 0.00 0.00 176.83 175.73 3i3g h ARG 112 N 0.10 0.34 0.00 3.45 3.08 -0.41 -1.71 114.38 119.22 3i3g h ARG 112 Ca 0.19 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 3i3g h ARG 112 Cb 0.27 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 3i3g h ARG 112 CO -0.32 0.22 -0.08 0.66 -1.07 0.00 0.00 179.97 179.38 3i3g h SER 113 N 0.35 0.00 -0.28 7.04 4.64 -0.18 -1.43 113.55 123.68 3i3g h SER 113 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3i3g h SER 113 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3i3g h SER 113 CO -0.31 0.08 0.00 0.29 -0.87 0.00 0.00 176.83 176.02 3i3g n LYS 114 N -4.11 1.96 -0.79 4.77 4.76 -0.71 -4.92 118.16 119.13 3i3g n LYS 114 Ca -0.03 -1.46 0.00 0.00 -2.87 0.00 0.00 58.31 53.96 3i3g n LYS 114 Cb 0.17 -1.40 0.00 0.00 -1.84 0.00 0.00 35.03 31.95 3i3g n LYS 114 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i3g n GLY 115 N 1.22 0.54 3.77 0.72 0.00 -0.54 -4.74 105.19 106.16 3i3g n GLY 115 Ca 0.16 -0.64 -0.40 0.00 0.00 0.00 0.00 46.02 45.14 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 0.53 0.26 -3.63 0.00 0.18 -0.96 -4.68 117.16 108.86 3i3g n TYR 117 Ca 0.01 0.07 -0.12 0.00 1.88 0.00 0.00 57.90 59.75 3i3g n TYR 117 Cb 0.41 -0.49 -0.05 0.00 -0.38 0.00 0.00 39.34 38.83 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 -3.31 1.03 -0.08 -3.48 -2.85 -1.26 -5.10 119.74 104.69 3i3g s LYS 118 Ca -0.00 -0.55 0.04 0.00 -1.00 0.00 0.00 55.97 54.46 3i3g s LYS 118 Cb 0.14 0.46 0.00 0.00 -2.06 0.00 0.00 37.83 36.37 3i3g s LYS 118 CO 0.84 -0.39 -0.20 0.08 0.10 0.00 0.00 175.35 175.79 3i3g s VAL 119 N -3.26 1.73 0.14 1.79 1.01 -1.26 -1.53 120.40 119.01 3i3g s VAL 119 Ca -0.00 -0.84 0.07 0.00 0.00 0.00 0.00 61.98 61.21 3i3g s VAL 119 Cb 0.01 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 3i3g s VAL 119 CO -0.08 0.49 -0.15 0.27 0.00 0.00 0.00 175.10 175.62 3i3g s ILE 120 N 0.35 1.49 0.16 2.22 -4.36 0.36 -4.97 121.20 116.45 3i3g s ILE 120 Ca -0.14 -1.78 -0.23 0.00 -0.26 0.00 0.00 60.65 58.23 3i3g s ILE 120 Cb -0.16 -1.64 0.07 0.00 1.25 0.00 0.00 42.46 41.98 3i3g s ILE 120 CO 0.06 -0.38 0.61 -1.48 0.24 0.00 0.00 174.94 173.99 3i3g s LEU 121 N -2.52 -0.55 -0.21 0.37 0.05 -1.26 -1.37 118.68 113.18 3i3g s LEU 121 Ca 0.11 -0.02 -0.08 0.00 0.05 0.00 0.00 54.13 54.19 3i3g s LEU 121 Cb -0.05 2.59 -0.04 0.00 -2.05 0.00 0.00 46.19 46.64 3i3g s LEU 121 CO 0.04 -0.97 0.08 -1.81 -0.55 0.00 0.00 176.35 173.14 3i3g s ASP 122 N -2.75 5.57 -0.03 1.48 1.01 -1.26 -5.05 116.67 115.63 3i3g s ASP 122 Ca 0.01 0.00 0.06 0.00 0.71 0.00 0.00 52.55 53.33 3i3g s ASP 122 Cb -0.01 -1.98 -0.02 0.00 1.01 0.00 0.00 42.92 41.92 3i3g s ASP 122 CO -0.12 0.10 -0.20 -0.55 0.21 0.00 0.00 175.17 174.61 3i3g s SER 123 N 0.85 3.59 0.99 0.27 0.15 -1.26 -5.01 113.70 113.28 3i3g s SER 123 Ca 0.04 -0.33 -0.12 0.00 0.70 0.00 0.00 55.95 56.24 3i3g s SER 123 Cb -0.13 -0.61 0.18 0.00 -1.71 0.00 0.00 66.02 63.74 3i3g s SER 123 CO 0.02 0.33 1.09 -0.94 1.20 0.00 0.00 173.24 174.94 3i3g s SER 124 N -0.73 2.69 0.37 5.45 1.04 -1.26 -4.87 113.70 116.39 3i3g s SER 124 Ca 0.11 1.26 0.08 0.00 0.48 0.00 0.00 55.95 57.89 3i3g s SER 124 Cb -0.10 -1.93 0.71 0.00 0.10 0.00 0.00 66.02 64.79 3i3g s SER 124 CO 0.00 -3.10 1.88 -0.08 0.98 0.00 0.00 173.24 172.92 3i3g h GLU 125 N -1.87 0.27 0.00 4.02 4.81 -2.00 -2.51 114.58 117.31 3i3g h GLU 125 Ca -0.54 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 58.53 3i3g h GLU 125 Cb 1.32 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 3i3g h GLU 125 CO 0.57 0.43 -0.43 -0.22 -0.73 0.00 0.00 179.01 178.63 3i3g h LYS 126 N 0.26 0.00 -0.01 1.92 3.11 -2.05 -2.98 116.57 116.82 3i3g h LYS 126 Ca 0.05 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.89 3i3g h LYS 126 Cb 0.44 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.67 3i3g h LYS 126 CO 0.03 0.43 -0.53 0.43 -2.81 0.00 0.00 179.45 176.99 3i3g n SER 127 N -3.89 1.31 -0.05 4.20 7.64 -1.04 -4.52 113.62 117.27 3i3g n SER 127 Ca -0.01 -1.05 -0.09 0.00 1.01 0.00 0.00 58.87 58.73 3i3g n SER 127 Cb 0.47 0.46 -0.03 0.00 -1.01 0.00 0.00 64.21 64.11 3i3g n SER 127 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3i3g h LEU 128 N 1.22 -0.99 -0.78 -3.43 5.85 -1.29 -2.08 115.31 113.80 3i3g h LEU 128 Ca 0.00 0.16 0.11 0.00 0.84 0.00 0.00 57.88 58.99 3i3g h LEU 128 Cb 0.60 0.45 -0.08 0.00 0.37 0.00 0.00 40.66 41.99 3i3g h LEU 128 CO 0.00 -0.33 0.41 -0.65 -0.34 0.00 0.00 178.44 177.53 3i3g h PRO 129 N -0.32 0.64 -0.58 5.25 0.11 -1.79 -1.57 132.00 133.74 3i3g h PRO 129 Ca 0.13 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 66.27 3i3g h PRO 129 Cb 0.53 -0.15 -0.06 0.00 0.11 0.00 0.00 31.00 31.43 3i3g h PRO 129 CO -0.43 0.43 0.26 0.35 -0.21 0.00 0.00 178.00 178.40 3i3g h PHE 130 N 0.66 0.46 -0.14 0.65 3.57 -1.68 -1.79 116.94 118.68 3i3g h PHE 130 Ca 0.39 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.71 3i3g h PHE 130 Cb 0.44 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.06 3i3g h PHE 130 CO -0.09 0.18 -0.74 1.88 -2.23 0.00 0.00 178.31 177.30 3i3g h TYR 131 N 0.48 0.90 -0.07 0.41 0.05 -0.99 -3.06 116.97 114.69 3i3g h TYR 131 Ca 0.28 -0.39 -0.05 0.00 0.05 0.00 0.00 58.73 58.61 3i3g h TYR 131 Cb 0.27 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 3i3g h TYR 131 CO -0.13 1.20 -0.21 0.93 -1.05 0.00 0.00 178.16 178.90 3i3g h GLU 132 N 0.46 0.11 0.00 4.88 5.08 -1.06 -1.76 114.58 122.30 3i3g h GLU 132 Ca -0.04 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 3i3g h GLU 132 Cb 1.35 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 3i3g h GLU 132 CO 0.15 0.32 -0.41 -0.22 -1.00 0.00 0.00 179.01 177.85 3i3g h LYS 133 N 0.10 0.00 0.00 2.33 3.64 -1.30 -2.82 116.57 118.52 3i3g h LYS 133 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3i3g h LYS 133 Cb 0.44 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3i3g h LYS 133 CO 0.03 0.41 0.00 1.28 -2.27 0.00 0.00 179.45 178.90 3i3g n LEU 134 N -3.45 0.17 0.00 5.20 4.77 -0.74 -4.88 117.00 118.07 3i3g n LEU 134 Ca 0.00 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 3i3g n LEU 134 Cb 0.56 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3i3g n LEU 134 CO 0.38 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 3i3g n GLY 135 N 1.10 0.88 3.78 -0.72 0.00 -1.06 -5.10 105.19 104.06 3i3g n GLY 135 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 2.86 0.06 1.61 0.08 -0.76 -4.99 117.98 114.85 3i3g s PHE 136 Ca 0.00 1.56 0.08 0.00 0.12 0.00 0.00 56.93 58.69 3i3g s PHE 136 Cb 0.00 -3.24 -0.03 0.00 -0.57 0.00 0.00 43.02 39.18 3i3g s PHE 136 CO 0.00 -1.28 -0.22 -0.98 -0.10 0.00 0.00 175.22 172.64 3i3g s ARG 137 N -3.04 1.40 0.24 0.44 1.70 -1.26 -3.88 118.95 114.55 3i3g s ARG 137 Ca 0.68 -1.06 -0.31 0.00 -0.47 0.00 0.00 55.73 54.57 3i3g s ARG 137 Cb -0.23 -1.60 -0.11 0.00 -0.57 0.00 0.00 34.95 32.43 3i3g s ARG 137 CO 0.27 0.40 1.64 0.00 -1.08 0.00 0.00 175.30 176.53 3i3g s ALA 138 N -0.90 3.83 0.00 7.88 0.00 -1.26 -4.96 121.76 126.35 3i3g s ALA 138 Ca 0.09 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.59 3i3g s ALA 138 Cb -0.09 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.36 3i3g s ALA 138 CO 0.03 -0.92 0.00 1.58 0.00 0.00 0.00 175.76 176.45 3i3g n HIS 139 N 3.19 0.00 -1.52 0.00 -0.00 -1.26 -5.14 115.22 110.50 3i3g n HIS 139 Ca 0.12 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 58.01 3i3g n HIS 139 Cb 0.37 0.00 0.13 0.00 -0.12 0.00 0.00 29.99 30.37 3i3g n HIS 139 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 3i3g s GLU 140 N 3.51 1.22 -0.13 1.57 2.02 -1.26 -5.04 118.70 120.59 3i3g s GLU 140 Ca 0.00 0.35 -0.08 0.00 0.02 0.00 0.00 54.97 55.26 3i3g s GLU 140 Cb 0.00 -1.84 -0.04 0.00 0.10 0.00 0.00 34.13 32.34 3i3g s GLU 140 CO 0.00 -2.15 0.15 0.50 0.02 0.00 0.00 175.26 173.78 3i3g s ARG 141 N -5.24 3.58 -0.15 1.61 6.06 -1.26 -5.07 118.95 118.47 3i3g s ARG 141 Ca 0.63 -0.12 -0.29 0.00 -2.50 0.00 0.00 55.73 53.45 3i3g s ARG 141 Cb -0.15 -3.23 -0.00 0.00 0.06 0.00 0.00 34.95 31.63 3i3g s ARG 141 CO 0.54 0.70 1.02 -1.14 -2.50 0.00 0.00 175.30 173.91 3i3g s GLN 142 N -0.80 4.36 -0.15 5.12 0.74 -1.26 -5.04 119.66 122.63 3i3g s GLN 142 Ca 0.14 1.38 -0.07 0.00 0.05 0.00 0.00 55.36 56.86 3i3g s GLN 142 Cb -0.12 -3.58 -0.04 0.00 1.10 0.00 0.00 33.01 30.37 3i3g s GLN 142 CO 0.03 -0.44 0.10 -1.64 -0.55 0.00 0.00 175.29 172.79 3i3g s MET 143 N 2.47 3.65 -0.04 1.67 -1.94 -1.26 -5.10 119.30 118.75 3i3g s MET 143 Ca 0.47 -0.25 0.04 0.00 -1.71 0.00 0.00 55.69 54.24 3i3g s MET 143 Cb -0.17 -3.18 -0.00 0.00 2.01 0.00 0.00 34.83 33.49 3i3g s MET 143 CO 0.13 0.54 -0.16 0.50 -0.01 0.00 0.00 175.02 176.03 3i3g s ARG 144 N -0.38 1.65 -0.18 2.03 3.52 -1.26 -5.12 118.95 119.22 3i3g s ARG 144 Ca 0.10 -0.56 0.00 0.00 -0.13 0.00 0.00 55.73 55.14 3i3g s ARG 144 Cb -0.12 -1.45 0.04 0.00 -1.56 0.00 0.00 34.95 31.86 3i3g s ARG 144 CO 0.02 0.23 -0.09 -1.17 -0.81 0.00 0.00 175.30 173.47 3i3g s LEU 145 N 0.04 1.91 0.13 -0.88 2.96 -1.26 -5.12 118.68 116.46 3i3g s LEU 145 Ca -0.03 -0.72 -0.30 0.00 -0.22 0.00 0.00 54.13 52.86 3i3g s LEU 145 Cb -0.11 -1.10 -0.06 0.00 0.50 0.00 0.00 46.19 45.42 3i3g s LEU 145 CO 0.02 -0.14 1.01 -1.81 -1.32 0.00 0.00 176.35 174.11 3i3g s ASP 146 N 1.50 7.41 0.00 3.68 1.01 -1.26 -5.37 116.67 123.64 3i3g s ASP 146 Ca 0.01 1.89 0.24 0.00 0.71 0.00 0.00 52.55 55.40 3i3g s ASP 146 Cb -0.15 -2.59 0.20 0.00 1.01 0.00 0.00 42.92 41.39 3i3g s ASP 146 CO -0.08 -0.13 1.27 0.18 0.21 0.00 0.00 175.17 176.61