#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g7i s ASP 2 N 0.00 7.46 -0.27 3.17 1.01 -0.45 -0.39 116.67 127.21 3g7i s ASP 2 Ca 0.00 1.74 0.00 0.00 0.71 0.00 0.00 52.55 55.00 3g7i s ASP 2 Cb 0.00 -2.55 0.08 0.00 1.01 0.00 0.00 42.92 41.46 3g7i s ASP 2 CO 0.00 0.10 0.02 0.12 0.21 0.00 0.00 175.17 175.61 3g7i s PHE 3 N -0.70 2.22 -0.23 4.23 5.36 0.23 -0.90 117.98 128.18 3g7i s PHE 3 Ca 0.40 -1.82 -0.21 0.00 -0.96 0.00 0.00 56.93 54.35 3g7i s PHE 3 Cb -0.24 -1.75 -0.02 0.00 -0.34 0.00 0.00 43.02 40.68 3g7i s PHE 3 CO 0.28 -0.81 0.64 0.71 -1.46 0.00 0.00 175.22 174.58 3g7i s TYR 4 N 1.45 3.32 0.22 10.12 1.51 0.48 -0.48 117.35 133.96 3g7i s TYR 4 Ca 0.02 0.87 -0.15 0.00 -1.01 0.00 0.00 57.07 56.80 3g7i s TYR 4 Cb -0.18 -2.84 0.01 0.00 -0.11 0.00 0.00 41.96 38.84 3g7i s TYR 4 CO -0.12 -0.28 0.50 1.52 -1.11 0.00 0.00 175.55 176.06 3g7i s TYR 5 N 2.32 0.09 -0.02 2.71 -0.85 -1.05 -1.90 117.35 118.65 3g7i s TYR 5 Ca 0.27 -0.45 0.05 0.00 -0.52 0.00 0.00 57.07 56.42 3g7i s TYR 5 Cb -0.16 0.30 -0.01 0.00 0.38 0.00 0.00 41.96 42.47 3g7i s TYR 5 CO 0.09 -0.95 -0.17 -0.51 -1.52 0.00 0.00 175.55 172.50 3g7i s LEU 6 N -2.93 2.01 0.22 -3.49 1.43 -1.26 -1.22 118.68 113.43 3g7i s LEU 6 Ca 0.14 -0.31 -0.08 0.00 -1.03 0.00 0.00 54.13 52.85 3g7i s LEU 6 Cb -0.01 -0.88 0.28 0.00 0.03 0.00 0.00 46.19 45.61 3g7i s LEU 6 CO 0.02 0.20 1.81 -0.65 0.23 0.00 0.00 176.35 177.96 3g7i h PRO 7 N 5.81 0.69 0.00 1.29 0.11 -1.96 -2.68 132.00 135.25 3g7i h PRO 7 Ca -0.36 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3g7i h PRO 7 Cb 1.15 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3g7i h PRO 7 CO 0.48 0.46 0.00 0.41 -0.21 0.00 0.00 178.00 179.14 3g7i n GLY 8 N -1.30 -1.50 3.70 -0.55 0.00 -1.26 -4.64 105.19 99.64 3g7i n GLY 8 Ca 0.10 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3g7i n GLY 8 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3g7i s SER 9 N -3.24 6.79 0.07 1.61 0.15 -1.01 -4.38 113.70 113.69 3g7i s SER 9 Ca 0.13 2.29 -0.22 0.00 0.70 0.00 0.00 55.95 58.85 3g7i s SER 9 Cb 0.17 -2.57 -0.13 0.00 -1.71 0.00 0.00 66.02 61.79 3g7i s SER 9 CO 0.52 -0.73 1.61 0.00 1.20 0.00 0.00 173.24 175.85 3g7i h ALA 10 N 7.45 0.13 -0.17 5.45 0.00 -1.90 -1.03 119.26 129.20 3g7i h ALA 10 Ca -0.41 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 3g7i h ALA 10 Cb 1.20 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3g7i h ALA 10 CO 0.89 -0.28 -0.18 -1.00 0.00 0.00 0.00 179.25 178.69 3g7i h PRO 11 N 0.01 0.29 -0.35 0.00 0.13 -1.92 -0.21 132.00 129.96 3g7i h PRO 11 Ca 0.03 -0.08 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 3g7i h PRO 11 Cb 0.17 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.25 3g7i h PRO 11 CO -0.00 0.47 0.16 0.00 -0.23 0.00 0.00 178.00 178.40 3g7i h ARG 13 N 0.42 1.23 -0.52 0.00 3.08 -0.50 -0.12 114.38 117.98 3g7i h ARG 13 Ca 0.12 -0.07 0.05 0.00 0.07 0.00 0.00 59.98 60.15 3g7i h ARG 13 Cb 0.13 -0.28 -0.05 0.00 0.08 0.00 0.00 29.97 29.85 3g7i h ARG 13 CO -0.01 0.81 0.24 0.00 -1.07 0.00 0.00 179.97 179.94 3g7i h ALA 14 N 1.40 0.66 -0.46 0.04 0.00 -0.97 -1.30 119.26 118.63 3g7i h ALA 14 Ca 0.39 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.30 3g7i h ALA 14 Cb -0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3g7i h ALA 14 CO -0.12 -0.13 0.12 0.28 0.00 0.00 0.00 179.25 179.40 3g7i h VAL 15 N 0.46 1.23 -0.99 0.00 2.07 -0.93 -2.02 116.25 116.07 3g7i h VAL 15 Ca 0.24 -0.81 0.01 0.00 0.82 0.00 0.00 66.70 66.95 3g7i h VAL 15 Cb 0.18 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 3g7i h VAL 15 CO -0.19 0.29 0.65 1.56 0.02 0.00 0.00 177.57 179.90 3g7i h GLN 16 N 0.62 1.30 -0.48 1.57 4.20 -0.78 0.65 115.11 122.18 3g7i h GLN 16 Ca 0.15 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.73 3g7i h GLN 16 Cb 0.32 -0.29 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 3g7i h GLN 16 CO 0.00 0.87 0.13 0.52 -0.67 0.00 0.00 178.83 179.67 3g7i h MET 17 N 1.34 0.77 -0.68 1.46 2.86 -1.13 -2.01 114.93 117.53 3g7i h MET 17 Ca 0.36 -0.18 -0.04 0.00 -2.06 0.00 0.00 59.70 57.78 3g7i h MET 17 Cb -0.15 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.37 3g7i h MET 17 CO -0.08 0.74 0.25 1.15 1.06 0.00 0.00 176.91 180.04 3g7i h THR 18 N 0.66 1.25 -0.57 2.22 2.02 -0.92 -1.34 112.91 116.23 3g7i h THR 18 Ca 0.15 -0.80 -0.03 0.00 0.77 0.00 0.00 66.41 66.50 3g7i h THR 18 Cb 0.31 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 3g7i h THR 18 CO -0.00 0.31 0.23 0.00 0.37 0.00 0.00 175.52 176.43 3g7i h ALA 19 N 1.11 0.73 -0.53 6.16 0.00 -0.82 -2.44 119.26 123.48 3g7i h ALA 19 Ca 0.23 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3g7i h ALA 19 Cb 0.24 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3g7i h ALA 19 CO -0.02 0.35 0.23 0.00 0.00 0.00 0.00 179.25 179.82 3g7i h ALA 20 N 1.07 1.41 -0.23 0.00 0.00 -1.14 -0.47 119.26 119.91 3g7i h ALA 20 Ca 0.19 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3g7i h ALA 20 Cb 0.20 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3g7i h ALA 20 CO -0.02 0.45 -0.14 0.00 0.00 0.00 0.00 179.25 179.55 3g7i h ALA 21 N 1.51 1.33 -0.37 0.00 0.00 -0.79 -3.03 119.26 117.91 3g7i h ALA 21 Ca 0.18 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3g7i h ALA 21 Cb 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3g7i h ALA 21 CO -0.02 0.45 0.00 1.33 0.00 0.00 0.00 179.25 181.01 3g7i n VAL 22 N -4.22 0.53 -1.17 0.00 0.24 -0.99 -4.96 118.33 107.75 3g7i n VAL 22 Ca 0.00 -0.76 -0.03 0.00 -2.04 0.00 0.00 64.34 61.50 3g7i n VAL 22 Cb 0.31 0.95 -0.01 0.00 -1.47 0.00 0.00 33.84 33.61 3g7i n VAL 22 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3g7i n GLY 23 N 1.35 0.59 3.71 7.63 0.00 -0.72 -4.67 105.19 113.08 3g7i n GLY 23 Ca 0.18 -0.92 -0.39 0.00 0.00 0.00 0.00 46.02 44.89 3g7i n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g7i s VAL 24 N -2.12 5.12 -0.19 1.61 1.01 -0.27 -5.02 120.40 120.54 3g7i s VAL 24 Ca 0.00 1.14 -0.14 0.00 0.00 0.00 0.00 61.98 62.98 3g7i s VAL 24 Cb 0.00 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 3g7i s VAL 24 CO 0.00 0.26 0.30 -1.61 0.00 0.00 0.00 175.10 174.05 3g7i s GLU 25 N 0.92 4.20 -0.09 2.72 0.41 -1.26 -4.24 118.70 121.36 3g7i s GLU 25 Ca 0.30 0.06 -0.12 0.00 -0.41 0.00 0.00 54.97 54.80 3g7i s GLU 25 Cb -0.16 -3.48 -0.05 0.00 -1.78 0.00 0.00 34.13 28.67 3g7i s GLU 25 CO 0.13 0.13 0.28 -0.51 -0.49 0.00 0.00 175.26 174.79 3g7i s LEU 26 N 0.81 4.37 -0.66 1.80 1.43 -1.26 -4.38 118.68 120.79 3g7i s LEU 26 Ca 0.16 0.64 -0.25 0.00 -1.03 0.00 0.00 54.13 53.65 3g7i s LEU 26 Cb -0.13 -2.34 0.05 0.00 0.03 0.00 0.00 46.19 43.79 3g7i s LEU 26 CO 0.05 0.28 1.09 0.21 0.23 0.00 0.00 176.35 178.21 3g7i s ASN 27 N -0.54 6.23 -0.09 2.29 2.47 0.47 -4.94 114.94 120.83 3g7i s ASN 27 Ca 0.18 -0.58 -0.30 0.00 0.42 0.00 0.00 52.86 52.59 3g7i s ASN 27 Cb -0.14 -2.48 -0.04 0.00 -1.45 0.00 0.00 41.25 37.14 3g7i s ASN 27 CO 0.07 -1.54 1.42 -0.76 -3.72 0.00 0.00 177.10 172.57 3g7i s LEU 28 N 4.71 4.26 -0.54 3.21 1.43 -1.26 -0.60 118.68 129.89 3g7i s LEU 28 Ca 0.30 1.97 0.04 0.00 -1.03 0.00 0.00 54.13 55.41 3g7i s LEU 28 Cb -0.12 -3.54 0.14 0.00 0.03 0.00 0.00 46.19 42.70 3g7i s LEU 28 CO 0.15 -0.80 0.32 -0.54 0.23 0.00 0.00 176.35 175.70 3g7i s LYS 29 N 3.40 1.88 0.16 1.70 1.02 0.37 -4.92 119.74 123.34 3g7i s LYS 29 Ca 0.63 -2.63 -0.32 0.00 0.02 0.00 0.00 55.97 53.67 3g7i s LYS 29 Cb -0.28 -3.01 -0.12 0.00 -0.52 0.00 0.00 37.83 33.90 3g7i s LYS 29 CO 0.23 -1.18 1.75 -0.11 -0.92 0.00 0.00 175.35 175.11 3g7i n LEU 30 N 2.92 3.84 -3.87 3.17 0.00 -1.26 -2.52 117.00 119.29 3g7i n LEU 30 Ca 0.11 1.04 -0.30 0.00 0.00 0.00 0.00 56.01 56.85 3g7i n LEU 30 Cb 0.34 -1.53 -0.15 0.00 0.00 0.00 0.00 43.42 42.08 3g7i n LEU 30 CO 0.29 0.09 -0.33 -0.89 0.00 0.00 0.00 177.39 176.54 3g7i s THR 31 N 1.78 1.51 -0.54 1.96 2.01 -0.36 -4.87 115.64 117.13 3g7i s THR 31 Ca 0.79 -1.80 -0.26 0.00 0.31 0.00 0.00 61.69 60.73 3g7i s THR 31 Cb -0.53 -2.11 0.04 0.00 0.01 0.00 0.00 72.50 69.90 3g7i s THR 31 CO 0.36 -0.62 1.02 0.21 -0.69 0.00 0.00 174.62 174.90 3g7i s ASN 32 N 1.30 6.41 0.21 3.53 3.84 -1.26 -4.60 114.94 124.36 3g7i s ASN 32 Ca 0.10 -0.10 -0.05 0.00 0.21 0.00 0.00 52.86 53.01 3g7i s ASN 32 Cb -0.18 -2.48 0.16 0.00 -0.55 0.00 0.00 41.25 38.20 3g7i s ASN 32 CO -0.17 -1.27 1.61 -0.07 -2.79 0.00 0.00 177.10 174.41 3g7i h LEU 33 N 11.19 0.81 -1.41 3.21 3.38 -1.96 -1.74 115.31 128.79 3g7i h LEU 33 Ca -0.25 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.46 3g7i h LEU 33 Cb 1.07 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 3g7i h LEU 33 CO 1.11 1.02 0.43 0.24 0.09 0.00 0.00 178.44 181.33 3g7i h MET 34 N 0.69 0.73 -0.00 1.13 2.86 -2.04 0.44 114.93 118.74 3g7i h MET 34 Ca 0.09 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3g7i h MET 34 Cb 0.76 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.25 3g7i h MET 34 CO 0.06 0.48 -0.03 0.00 1.06 0.00 0.00 176.91 178.48 3g7i n ALA 35 N -2.45 2.61 -1.03 6.32 0.00 -1.09 -4.93 120.51 119.93 3g7i n ALA 35 Ca 0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 53.44 53.31 3g7i n ALA 35 Cb 0.15 -1.44 -0.00 0.00 0.00 0.00 0.00 19.45 18.15 3g7i n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g7i n GLY 36 N 1.22 0.47 0.29 0.00 0.00 0.14 -4.94 105.19 102.38 3g7i n GLY 36 Ca 0.16 -0.98 0.05 0.00 0.00 0.00 0.00 46.02 45.26 3g7i n GLY 36 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3g7i h GLU 37 N 0.06 0.36 0.00 1.61 5.08 -1.54 -1.65 114.58 118.49 3g7i h GLU 37 Ca -0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3g7i h GLU 37 Cb 0.08 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3g7i h GLU 37 CO 0.03 0.24 0.00 -2.39 -1.00 0.00 0.00 179.01 175.89 3g7i n HIS 38 N -4.50 0.67 0.79 4.33 1.44 -1.26 -3.00 115.22 113.68 3g7i n HIS 38 Ca 0.01 0.24 0.11 0.00 -2.01 0.00 0.00 57.72 56.08 3g7i n HIS 38 Cb 0.07 -0.90 0.12 0.00 0.12 0.00 0.00 29.99 29.41 3g7i n HIS 38 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3g7i n MET 39 N -2.09 2.22 -2.38 -1.40 2.81 -0.62 -4.34 117.12 111.32 3g7i n MET 39 Ca 0.03 -1.95 -0.37 0.00 -1.81 0.00 0.00 57.70 53.61 3g7i n MET 39 Cb 0.26 -1.45 -0.02 0.00 -0.71 0.00 0.00 33.22 31.30 3g7i n MET 39 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3g7i s LYS 40 N -1.78 3.88 0.44 0.03 1.02 -1.16 -4.84 119.74 117.33 3g7i s LYS 40 Ca 0.29 1.64 0.15 0.00 0.02 0.00 0.00 55.97 58.08 3g7i s LYS 40 Cb 0.20 -2.41 1.07 0.00 -0.52 0.00 0.00 37.83 36.17 3g7i s LYS 40 CO 0.29 -0.42 1.97 -1.35 -0.92 0.00 0.00 175.35 174.92 3g7i h PRO 41 N 2.12 0.36 -0.61 -1.68 0.11 -1.93 -0.57 132.00 129.80 3g7i h PRO 41 Ca -0.49 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.65 3g7i h PRO 41 Cb 1.23 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.21 3g7i h PRO 41 CO 0.61 0.24 0.34 0.93 -0.21 0.00 0.00 178.00 179.91 3g7i h GLU 42 N 0.37 0.63 -0.13 1.05 3.07 -1.95 -1.55 114.58 116.08 3g7i h GLU 42 Ca 0.29 -0.04 -0.10 0.00 -0.50 0.00 0.00 59.36 59.01 3g7i h GLU 42 Cb 0.63 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 3g7i h GLU 42 CO -0.08 0.42 -0.30 0.35 -1.40 0.00 0.00 179.01 178.00 3g7i h PHE 43 N 0.65 0.56 -0.80 4.33 3.57 -1.42 -3.20 116.94 120.63 3g7i h PHE 43 Ca 0.27 -0.21 0.08 0.00 3.53 0.00 0.00 57.97 61.64 3g7i h PHE 43 Cb 0.13 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.72 3g7i h PHE 43 CO -0.08 0.92 0.52 -0.07 -2.23 0.00 0.00 178.31 177.37 3g7i h LEU 44 N 0.04 0.71 -1.05 0.59 3.38 -1.15 0.12 115.31 117.94 3g7i h LEU 44 Ca 0.00 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3g7i h LEU 44 Cb 0.90 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 3g7i h LEU 44 CO 0.07 0.43 0.11 0.50 0.09 0.00 0.00 178.44 179.64 3g7i h LYS 45 N 0.79 0.79 0.06 1.13 3.64 -1.34 -2.62 116.57 119.02 3g7i h LYS 45 Ca 0.36 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3g7i h LYS 45 Cb 0.36 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3g7i h LYS 45 CO -0.14 0.72 -0.03 -0.07 -2.27 0.00 0.00 179.45 177.67 3g7i h LEU 46 N 0.76 -0.07 -7.01 5.20 3.38 -1.26 -3.44 115.31 112.87 3g7i h LEU 46 Ca 0.17 -0.48 -0.55 0.00 0.09 0.00 0.00 57.88 57.10 3g7i h LEU 46 Cb 0.30 0.02 -0.40 0.00 0.09 0.00 0.00 40.66 40.67 3g7i h LEU 46 CO 0.00 0.48 -0.77 0.21 0.09 0.00 0.00 178.44 178.45 3g7i s ASN 47 N -5.65 3.71 0.36 -0.43 2.47 0.32 -4.89 114.94 110.83 3g7i s ASN 47 Ca -0.15 -1.41 0.26 0.00 0.42 0.00 0.00 52.86 51.98 3g7i s ASN 47 Cb 0.01 -0.62 1.23 0.00 -1.45 0.00 0.00 41.25 40.42 3g7i s ASN 47 CO 0.62 -0.42 1.80 1.55 -3.72 0.00 0.00 177.10 176.93 3g7i h PRO 48 N 8.24 0.00 -0.01 0.43 0.13 -1.73 -1.29 132.00 137.77 3g7i h PRO 48 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 3g7i h PRO 48 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 3g7i h PRO 48 CO 0.45 0.00 -0.03 0.94 -0.23 0.00 0.00 178.00 179.13 3g7i n GLN 49 N -2.45 1.35 -4.12 0.86 7.27 -1.26 -4.97 117.38 114.06 3g7i n GLN 49 Ca 0.00 -0.61 -0.44 0.00 0.07 0.00 0.00 57.00 56.02 3g7i n GLN 49 Cb 0.17 -1.49 0.00 0.00 2.41 0.00 0.00 30.24 31.33 3g7i n GLN 49 CO 0.00 0.00 0.00 -2.39 0.07 0.00 0.00 177.06 174.74 3g7i n HIS 50 N -0.29 -1.31 -4.09 3.69 1.44 -0.49 -4.95 115.22 109.22 3g7i n HIS 50 Ca 0.19 0.13 -0.11 0.00 -2.01 0.00 0.00 57.72 55.92 3g7i n HIS 50 Cb 0.28 -2.68 -0.11 0.00 0.12 0.00 0.00 29.99 27.60 3g7i n HIS 50 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3g7i s ILE 52 N -2.56 2.90 0.39 0.00 -4.36 -1.26 -4.04 121.20 112.27 3g7i s ILE 52 Ca -0.00 -1.28 -0.25 0.00 -0.26 0.00 0.00 60.65 58.86 3g7i s ILE 52 Cb -0.02 -2.27 -0.09 0.00 1.25 0.00 0.00 42.46 41.33 3g7i s ILE 52 CO -0.03 0.24 1.10 -2.16 0.24 0.00 0.00 174.94 174.33 3g7i s PRO 53 N -1.75 4.13 -0.06 0.37 0.04 -1.26 -4.81 135.00 131.66 3g7i s PRO 53 Ca 0.16 1.66 0.03 0.00 0.04 0.00 0.00 61.00 62.90 3g7i s PRO 53 Cb -0.11 -2.63 0.01 0.00 0.04 0.00 0.00 34.50 31.81 3g7i s PRO 53 CO 0.08 -0.20 -0.15 0.99 0.04 0.00 0.00 177.00 177.75 3g7i s THR 54 N -1.53 1.33 -0.14 1.26 2.01 -0.80 -3.90 115.64 113.88 3g7i s THR 54 Ca 0.57 -0.61 -0.02 0.00 0.31 0.00 0.00 61.69 61.94 3g7i s THR 54 Cb -0.26 -1.18 -0.03 0.00 0.01 0.00 0.00 72.50 71.04 3g7i s THR 54 CO 0.33 0.40 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.37 3g7i s LEU 55 N 0.47 3.14 -0.26 4.42 2.96 0.82 -0.38 118.68 129.84 3g7i s LEU 55 Ca -0.13 -0.15 -0.01 0.00 -0.22 0.00 0.00 54.13 53.62 3g7i s LEU 55 Cb -0.15 -1.74 0.03 0.00 0.50 0.00 0.00 46.19 44.84 3g7i s LEU 55 CO 0.04 0.20 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.53 3g7i s VAL 56 N 0.17 2.83 0.96 1.68 1.01 -0.08 -0.75 120.40 126.23 3g7i s VAL 56 Ca -0.03 -1.14 -0.15 0.00 0.00 0.00 0.00 61.98 60.66 3g7i s VAL 56 Cb -0.14 -2.49 0.18 0.00 0.00 0.00 0.00 36.38 33.94 3g7i s VAL 56 CO 0.03 0.13 1.23 -0.62 0.00 0.00 0.00 175.10 175.87 3g7i s ASP 57 N 1.29 3.08 0.51 3.32 -1.08 -0.00 -1.33 116.67 122.46 3g7i s ASP 57 Ca -0.01 0.53 0.16 0.00 -0.52 0.00 0.00 52.55 52.71 3g7i s ASP 57 Cb -0.17 -0.78 1.25 0.00 -1.46 0.00 0.00 42.92 41.76 3g7i s ASP 57 CO -0.04 -2.78 2.14 -0.33 0.52 0.00 0.00 175.17 174.68 3g7i h GLU 58 N -1.66 0.03 -0.53 4.34 4.39 -1.98 -0.27 114.58 118.90 3g7i h GLU 58 Ca -0.46 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.24 3g7i h GLU 58 Cb 1.28 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 3g7i h GLU 58 CO 0.46 0.02 0.00 -0.25 -1.16 0.00 0.00 179.01 178.09 3g7i n ASP 59 N -4.53 2.86 0.00 1.42 8.00 -1.26 -4.92 116.55 118.12 3g7i n ASP 59 Ca -0.02 -2.06 0.00 0.00 0.71 0.00 0.00 54.79 53.41 3g7i n ASP 59 Cb 0.10 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.83 3g7i n ASP 59 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3g7i n GLY 60 N 1.22 0.69 3.71 0.44 0.00 -0.11 -5.01 105.19 106.12 3g7i n GLY 60 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3g7i n GLY 60 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3g7i s PHE 61 N -2.64 2.80 -0.16 1.61 5.36 -1.26 -4.74 117.98 118.95 3g7i s PHE 61 Ca 0.00 0.46 -0.05 0.00 -0.96 0.00 0.00 56.93 56.38 3g7i s PHE 61 Cb 0.00 -3.98 -0.03 0.00 -0.34 0.00 0.00 43.02 38.66 3g7i s PHE 61 CO 0.00 -3.77 -0.00 0.08 -1.46 0.00 0.00 175.22 170.07 3g7i s VAL 62 N 1.66 4.20 0.01 3.12 1.01 -1.26 -0.82 120.40 128.32 3g7i s VAL 62 Ca 0.73 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.48 3g7i s VAL 62 Cb -0.44 -2.86 -0.01 0.00 0.00 0.00 0.00 36.38 33.07 3g7i s VAL 62 CO 0.32 0.48 -0.07 -0.22 0.00 0.00 0.00 175.10 175.61 3g7i s LEU 63 N 0.35 2.08 0.35 3.92 2.96 0.07 -5.00 118.68 123.41 3g7i s LEU 63 Ca -0.02 -0.25 0.07 0.00 -0.22 0.00 0.00 54.13 53.71 3g7i s LEU 63 Cb -0.14 -0.32 -0.03 0.00 0.50 0.00 0.00 46.19 46.21 3g7i s LEU 63 CO 0.02 0.01 0.25 -1.66 -1.32 0.00 0.00 176.35 173.65 3g7i s TRP 64 N -0.49 1.76 -0.01 5.38 -2.14 -1.26 -0.13 118.94 122.04 3g7i s TRP 64 Ca -0.00 -1.60 -0.01 0.00 2.66 0.00 0.00 56.10 57.15 3g7i s TRP 64 Cb -0.05 -0.80 0.00 0.00 -3.10 0.00 0.00 33.47 29.53 3g7i s TRP 64 CO 0.00 -0.76 0.02 -1.91 -2.66 0.00 0.00 176.95 171.64 3g7i n GLU 65 N -0.68 -1.32 -0.29 3.25 4.07 -1.25 -4.55 120.64 119.87 3g7i n GLU 65 Ca 0.05 1.34 0.16 0.00 -0.06 0.00 0.00 57.16 58.64 3g7i n GLU 65 Cb 0.63 -1.75 0.42 0.00 -0.06 0.00 0.00 31.44 30.68 3g7i n GLU 65 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 3g7i h SER 66 N 1.11 0.58 0.46 4.31 4.64 -1.86 -1.43 113.55 121.37 3g7i h SER 66 Ca -0.05 0.06 -0.19 0.00 -0.47 0.00 0.00 61.79 61.14 3g7i h SER 66 Cb 0.11 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 3g7i h SER 66 CO 0.00 0.24 -0.83 0.03 -0.87 0.00 0.00 176.83 175.40 3g7i h ARG 67 N 0.59 0.27 -0.47 4.77 3.08 -1.91 0.53 114.38 121.23 3g7i h ARG 67 Ca 0.50 -0.26 -0.10 0.00 0.07 0.00 0.00 59.98 60.19 3g7i h ARG 67 Cb 0.99 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.09 3g7i h ARG 67 CO -0.24 0.95 -0.09 0.00 -1.07 0.00 0.00 179.97 179.52 3g7i h ALA 68 N 0.96 0.64 -0.52 0.04 0.00 -1.61 -2.76 119.26 116.02 3g7i h ALA 68 Ca -0.04 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 54.59 3g7i h ALA 68 Cb 1.43 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 3g7i h ALA 68 CO 0.13 0.53 0.24 0.82 0.00 0.00 0.00 179.25 180.97 3g7i h ILE 69 N 0.74 0.91 -0.45 0.00 2.04 -1.09 -0.91 117.51 118.75 3g7i h ILE 69 Ca 0.12 -0.16 0.06 0.00 1.00 0.00 0.00 64.86 65.88 3g7i h ILE 69 Cb 0.63 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 37.06 3g7i h ILE 69 CO 0.04 0.09 0.17 1.56 0.00 0.00 0.00 178.15 180.01 3g7i h GLN 70 N 0.47 0.34 -0.37 2.37 4.20 -0.81 0.99 115.11 122.30 3g7i h GLN 70 Ca 0.24 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.89 3g7i h GLN 70 Cb 0.18 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 3g7i h GLN 70 CO -0.19 0.22 0.09 0.82 -0.67 0.00 0.00 178.83 179.10 3g7i h ILE 71 N 0.35 1.23 -0.61 2.54 2.04 -1.18 -2.29 117.51 119.60 3g7i h ILE 71 Ca 0.21 -0.78 0.03 0.00 1.00 0.00 0.00 64.86 65.31 3g7i h ILE 71 Cb 0.20 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 3g7i h ILE 71 CO -0.21 0.27 0.37 0.22 0.00 0.00 0.00 178.15 178.81 3g7i h TYR 72 N 0.46 0.70 -0.54 1.37 3.20 -0.76 -0.04 116.97 121.35 3g7i h TYR 72 Ca 0.12 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.04 3g7i h TYR 72 Cb 0.32 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.32 3g7i h TYR 72 CO 0.02 0.40 0.30 -0.07 -1.64 0.00 0.00 178.16 177.17 3g7i h LEU 73 N 0.73 0.46 0.06 2.82 3.38 -0.61 0.21 115.31 122.36 3g7i h LEU 73 Ca 0.25 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 3g7i h LEU 73 Cb 0.02 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3g7i h LEU 73 CO -0.10 0.32 -0.03 0.58 0.09 0.00 0.00 178.44 179.30 3g7i h VAL 74 N 0.59 1.15 -0.89 1.22 2.07 -1.01 0.26 116.25 119.64 3g7i h VAL 74 Ca 0.23 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 3g7i h VAL 74 Cb 0.09 1.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 3g7i h VAL 74 CO -0.13 0.18 0.52 -0.33 0.02 0.00 0.00 177.57 177.83 3g7i h GLU 75 N -0.40 1.22 0.06 1.57 5.08 -0.93 -0.01 114.58 121.17 3g7i h GLU 75 Ca -0.01 -0.12 -0.32 0.00 -1.00 0.00 0.00 59.36 57.91 3g7i h GLU 75 Cb 0.36 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 3g7i h GLU 75 CO 0.01 0.86 -1.79 1.17 -1.00 0.00 0.00 179.01 178.26 3g7i n LYS 76 N -4.35 0.67 -0.11 2.33 4.81 0.05 -4.24 118.16 117.32 3g7i n LYS 76 Ca 0.10 0.37 -0.15 0.00 -0.87 0.00 0.00 58.31 57.76 3g7i n LYS 76 Cb 0.07 -1.70 -0.12 0.00 0.02 0.00 0.00 35.03 33.31 3g7i n LYS 76 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3g7i n TYR 77 N -3.86 0.00 0.09 5.64 4.02 -0.02 -4.43 117.16 118.60 3g7i n TYR 77 Ca -0.34 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.59 3g7i n TYR 77 Cb 0.90 -0.90 0.45 0.00 -0.02 0.00 0.00 39.34 39.77 3g7i n TYR 77 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3g7i h GLY 78 N 2.16 0.35 1.21 2.72 0.00 0.03 -3.14 103.07 106.39 3g7i h GLY 78 Ca -0.52 -0.16 0.07 0.00 0.00 0.00 0.00 47.33 46.72 3g7i h GLY 78 CO -0.06 0.15 0.33 0.00 0.00 0.00 0.00 176.54 176.96 3g7i h ALA 79 N 1.74 1.80 0.00 3.60 0.00 -1.32 0.27 119.26 125.36 3g7i h ALA 79 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3g7i h ALA 79 Cb 0.13 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3g7i h ALA 79 CO -0.00 -0.45 0.00 0.45 0.00 0.00 0.00 179.25 179.25 3g7i h HIS 80 N 0.00 0.00 -3.34 0.00 3.86 -1.82 -3.31 115.15 110.54 3g7i h HIS 80 Ca 0.11 0.00 -0.63 0.00 -1.16 0.00 0.00 60.37 58.69 3g7i h HIS 80 Cb 0.77 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 28.83 3g7i h HIS 80 CO 0.00 0.00 -0.70 0.34 0.86 0.00 0.00 177.93 178.43 3g7i s ASP 81 N -4.49 4.24 0.15 2.45 3.68 0.08 -5.03 116.67 117.76 3g7i s ASP 81 Ca 0.01 -2.51 -0.17 0.00 2.13 0.00 0.00 52.55 52.01 3g7i s ASP 81 Cb 0.09 -1.39 0.06 0.00 -1.45 0.00 0.00 42.92 40.22 3g7i s ASP 81 CO 0.36 -0.30 1.73 0.00 0.13 0.00 0.00 175.17 177.08 3g7i h ALA 82 N 7.07 0.35 -0.47 3.66 0.00 -1.77 -1.60 119.26 126.50 3g7i h ALA 82 Ca -0.06 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3g7i h ALA 82 Cb 0.95 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3g7i h ALA 82 CO 0.56 -0.34 0.06 -0.44 0.00 0.00 0.00 179.25 179.09 3g7i h ASP 83 N 0.18 0.70 -0.06 0.00 3.45 -1.93 -2.45 116.42 116.32 3g7i h ASP 83 Ca 0.16 -0.14 -0.00 0.00 0.43 0.00 0.00 57.03 57.47 3g7i h ASP 83 Cb 0.18 -0.18 -0.00 0.00 -0.56 0.00 0.00 39.33 38.76 3g7i h ASP 83 CO -0.21 0.73 0.02 0.25 -1.57 0.00 0.00 179.24 178.46 3g7i h LEU 84 N 0.71 0.08 -0.86 1.55 5.85 -1.66 -1.00 115.31 119.99 3g7i h LEU 84 Ca 0.15 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.70 3g7i h LEU 84 Cb 0.35 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 3g7i h LEU 84 CO 0.01 0.26 0.55 0.00 -0.34 0.00 0.00 178.44 178.92 3g7i h ALA 85 N 0.83 1.13 -0.79 1.25 0.00 -1.23 -1.15 119.26 119.29 3g7i h ALA 85 Ca 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3g7i h ALA 85 Cb 0.20 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3g7i h ALA 85 CO -0.00 0.40 0.45 1.49 0.00 0.00 0.00 179.25 181.59 3g7i h GLU 86 N 1.08 1.09 -0.08 0.00 4.57 -1.31 0.29 114.58 120.22 3g7i h GLU 86 Ca 0.34 -0.12 -0.01 0.00 -1.18 0.00 0.00 59.36 58.40 3g7i h GLU 86 Cb -0.01 -0.22 -0.00 0.00 -0.16 0.00 0.00 28.75 28.36 3g7i h GLU 86 CO -0.11 0.80 0.03 0.00 -1.18 0.00 0.00 179.01 178.54 3g7i h ARG 87 N 1.09 0.13 -0.21 1.92 3.08 -0.70 -2.49 114.38 117.19 3g7i h ARG 87 Ca 0.28 -0.02 -0.15 0.00 0.07 0.00 0.00 59.98 60.16 3g7i h ARG 87 Cb 0.01 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3g7i h ARG 87 CO -0.05 0.26 -0.47 -0.07 -1.07 0.00 0.00 179.97 178.57 3g7i h LEU 88 N -0.04 0.60 -5.66 3.04 3.38 -1.09 -3.38 115.31 112.17 3g7i h LEU 88 Ca 0.03 -0.29 -0.43 0.00 0.09 0.00 0.00 57.88 57.27 3g7i h LEU 88 Cb 0.19 -0.17 -0.30 0.00 0.09 0.00 0.00 40.66 40.47 3g7i h LEU 88 CO -0.00 0.98 -0.86 0.00 0.09 0.00 0.00 178.44 178.65 3g7i n TYR 89 N -4.00 -1.58 -1.64 1.13 9.36 0.10 -0.79 117.16 119.74 3g7i n TYR 89 Ca -0.02 -2.83 -0.44 0.00 3.32 0.00 0.00 57.90 57.93 3g7i n TYR 89 Cb 0.56 0.43 -0.01 0.00 -0.63 0.00 0.00 39.34 39.68 3g7i n TYR 89 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3g7i n PRO 90 N 1.72 1.70 0.11 2.98 -0.04 -0.94 -4.50 135.00 136.03 3g7i n PRO 90 Ca 0.18 0.60 0.08 0.00 -0.04 0.00 0.00 63.50 64.32 3g7i n PRO 90 Cb 0.56 -2.07 0.02 0.00 -0.04 0.00 0.00 33.50 31.96 3g7i n PRO 90 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3g7i h SER 91 N 2.38 0.00 -2.42 3.54 4.64 -1.91 -3.32 113.55 116.46 3g7i h SER 91 Ca -0.43 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.34 3g7i h SER 91 Cb 1.31 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.46 3g7i h SER 91 CO 0.62 0.19 0.95 -0.67 -0.87 0.00 0.00 176.83 177.05 3g7i n ASP 92 N -2.86 3.60 -0.25 4.97 2.03 -1.26 -4.80 116.55 117.97 3g7i n ASP 92 Ca -0.01 1.05 0.05 0.00 0.52 0.00 0.00 54.79 56.40 3g7i n ASP 92 Cb 0.63 -1.49 0.17 0.00 -0.72 0.00 0.00 41.12 39.71 3g7i n ASP 92 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3g7i h PRO 93 N 6.93 0.20 -0.40 -0.67 0.11 -1.98 0.23 132.00 136.43 3g7i h PRO 93 Ca -0.45 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 3g7i h PRO 93 Cb 1.23 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3g7i h PRO 93 CO 0.93 0.13 0.13 0.00 -0.21 0.00 0.00 178.00 178.98 3g7i h ARG 94 N 0.21 0.61 -0.49 1.05 3.08 -1.97 0.73 114.38 117.60 3g7i h ARG 94 Ca 0.41 -0.13 -0.10 0.00 0.07 0.00 0.00 59.98 60.23 3g7i h ARG 94 Cb 0.71 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 3g7i h ARG 94 CO -0.55 0.61 -0.08 0.00 -1.07 0.00 0.00 179.97 178.87 3g7i h ARG 95 N 0.50 0.93 -0.30 0.04 2.47 -1.70 -2.72 114.38 113.59 3g7i h ARG 95 Ca 0.13 -0.34 -0.12 0.00 -1.26 0.00 0.00 59.98 58.39 3g7i h ARG 95 Cb 0.25 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.49 3g7i h ARG 95 CO -0.01 1.00 -0.31 -0.09 0.56 0.00 0.00 179.97 181.13 3g7i h ARG 96 N 0.79 0.64 -0.58 0.04 2.43 -0.46 -2.56 114.38 114.68 3g7i h ARG 96 Ca 0.13 -0.29 0.09 0.00 -0.81 0.00 0.00 59.98 59.10 3g7i h ARG 96 Cb 0.63 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.10 3g7i h ARG 96 CO 0.04 0.87 0.22 0.00 -1.51 0.00 0.00 179.97 179.59 3g7i h ALA 97 N 1.11 0.74 -0.44 2.80 0.00 -0.64 -0.54 119.26 122.29 3g7i h ALA 97 Ca 0.07 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3g7i h ALA 97 Cb 0.80 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3g7i h ALA 97 CO 0.07 -0.19 0.15 0.28 0.00 0.00 0.00 179.25 179.56 3g7i h VAL 98 N 0.40 1.21 -0.22 0.00 2.07 -1.27 0.16 116.25 118.61 3g7i h VAL 98 Ca 0.29 -0.69 0.05 0.00 0.82 0.00 0.00 66.70 67.17 3g7i h VAL 98 Cb 0.34 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 3g7i h VAL 98 CO -0.29 0.25 -0.11 0.58 0.02 0.00 0.00 177.57 178.03 3g7i h VAL 99 N 0.57 0.66 -0.42 2.57 2.07 -1.12 -0.84 116.25 119.75 3g7i h VAL 99 Ca 0.14 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.69 3g7i h VAL 99 Cb 0.23 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 3g7i h VAL 99 CO -0.01 0.00 0.23 0.45 0.02 0.00 0.00 177.57 178.26 3g7i h HIS 100 N -0.08 0.42 -0.46 1.57 3.86 -0.80 -0.95 115.15 118.71 3g7i h HIS 100 Ca 0.12 0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.41 3g7i h HIS 100 Cb 0.26 -0.13 -0.06 0.00 1.06 0.00 0.00 27.41 28.54 3g7i h HIS 100 CO -0.27 0.23 0.12 0.37 0.86 0.00 0.00 177.93 179.23 3g7i h GLN 101 N 0.46 0.26 -0.65 2.45 4.15 -0.37 0.64 115.11 122.04 3g7i h GLN 101 Ca 0.17 -0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.51 3g7i h GLN 101 Cb 0.05 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 3g7i h GLN 101 CO -0.10 0.17 0.14 0.00 -1.93 0.00 0.00 178.83 177.11 3g7i h ARG 102 N 0.26 1.04 -0.30 1.69 2.47 -0.79 0.30 114.38 119.06 3g7i h ARG 102 Ca 0.22 -0.25 -0.02 0.00 -1.26 0.00 0.00 59.98 58.68 3g7i h ARG 102 Cb 0.27 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.44 3g7i h ARG 102 CO -0.27 0.93 0.12 -0.07 0.56 0.00 0.00 179.97 181.25 3g7i h LEU 103 N 0.99 0.41 -0.77 3.04 3.38 -0.51 0.45 115.31 122.28 3g7i h LEU 103 Ca 0.21 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 3g7i h LEU 103 Cb 0.37 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3g7i h LEU 103 CO 0.00 0.45 0.19 -0.26 0.09 0.00 0.00 178.44 178.92 3g7i h PHE 104 N 0.34 1.16 -0.55 1.13 -1.00 -0.75 -2.27 116.94 115.00 3g7i h PHE 104 Ca 0.10 -0.13 0.02 0.00 2.81 0.00 0.00 57.97 60.78 3g7i h PHE 104 Cb 0.17 -0.33 -0.03 0.00 3.61 0.00 0.00 35.95 39.36 3g7i h PHE 104 CO -0.01 0.93 0.34 0.35 -1.61 0.00 0.00 178.31 178.31 3g7i h PHE 105 N 1.06 0.64 -0.02 -0.55 3.57 -0.81 -1.53 116.94 119.30 3g7i h PHE 105 Ca 0.23 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.76 3g7i h PHE 105 Cb 0.34 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 3g7i h PHE 105 CO 0.03 0.37 -0.10 0.22 -2.23 0.00 0.00 178.31 176.59 3g7i h ASP 106 N 0.68 -0.30 -0.23 0.41 3.58 -0.59 -0.44 116.42 119.53 3g7i h ASP 106 Ca 0.22 0.05 -0.13 0.00 0.42 0.00 0.00 57.03 57.59 3g7i h ASP 106 Cb 0.00 0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.18 3g7i h ASP 106 CO -0.09 -0.14 -0.36 1.62 -2.88 0.00 0.00 179.24 177.39 3g7i h VAL 107 N -0.17 1.32 0.00 2.25 3.04 -1.33 0.19 116.25 121.56 3g7i h VAL 107 Ca 0.04 -1.57 -0.04 0.00 -1.01 0.00 0.00 66.70 64.13 3g7i h VAL 107 Cb 0.22 1.77 -0.01 0.00 -2.01 0.00 0.00 31.29 31.27 3g7i h VAL 107 CO -0.12 0.49 -1.17 0.00 -1.01 0.00 0.00 177.57 175.76 3g7i n ALA 108 N -2.51 2.42 0.07 3.17 0.00 -0.59 -3.30 120.51 119.77 3g7i n ALA 108 Ca -0.05 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.06 3g7i n ALA 108 Cb 0.51 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.92 3g7i n ALA 108 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3g7i n VAL 109 N -2.69 0.94 0.19 0.00 0.31 -0.30 -4.61 118.33 112.17 3g7i n VAL 109 Ca -0.03 0.31 -0.13 0.00 -0.01 0.00 0.00 64.34 64.48 3g7i n VAL 109 Cb 0.61 -1.34 -0.08 0.00 -0.91 0.00 0.00 33.84 32.13 3g7i n VAL 109 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3g7i h LEU 110 N 0.00 -0.43 -0.32 7.52 5.85 -1.09 -1.29 115.31 125.55 3g7i h LEU 110 Ca 0.00 -0.13 -0.20 0.00 0.84 0.00 0.00 57.88 58.39 3g7i h LEU 110 Cb 0.00 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.14 3g7i h LEU 110 CO 0.00 -0.06 -0.72 0.22 -0.34 0.00 0.00 178.44 177.53 3g7i h TYR 111 N -0.86 0.78 -0.00 1.25 3.20 -0.85 -2.96 116.97 117.53 3g7i h TYR 111 Ca -0.05 -0.34 0.03 0.00 3.14 0.00 0.00 58.73 61.51 3g7i h TYR 111 Cb 0.54 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.64 3g7i h TYR 111 CO 0.02 1.12 -0.25 0.37 -1.64 0.00 0.00 178.16 177.78 3g7i h GLN 112 N 0.41 -0.37 0.00 1.82 5.75 -1.58 -0.74 115.11 120.40 3g7i h GLN 112 Ca -0.03 0.03 -0.06 0.00 -0.15 0.00 0.00 58.65 58.44 3g7i h GLN 112 Cb 1.32 0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.94 3g7i h GLN 112 CO 0.14 -0.25 -0.27 0.00 -2.65 0.00 0.00 178.83 175.80 3g7i h ARG 113 N -0.39 0.00 0.15 1.69 3.08 -1.35 0.06 114.38 117.63 3g7i h ARG 113 Ca 0.06 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3g7i h ARG 113 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3g7i h ARG 113 CO -0.22 0.27 -0.07 0.35 -1.07 0.00 0.00 179.97 179.22 3g7i h PHE 114 N 0.00 -0.19 -0.33 3.04 3.57 -1.30 -1.83 116.94 119.90 3g7i h PHE 114 Ca -0.00 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 3g7i h PHE 114 Cb 0.82 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 3g7i h PHE 114 CO 0.00 -0.06 0.08 0.00 -2.23 0.00 0.00 178.31 176.10 3g7i h ALA 115 N 0.56 1.53 -0.44 2.41 0.00 -0.67 -1.26 119.26 121.40 3g7i h ALA 115 Ca -0.02 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 3g7i h ALA 115 Cb 0.22 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3g7i h ALA 115 CO 0.03 0.35 -0.05 0.93 0.00 0.00 0.00 179.25 180.52 3g7i h GLU 116 N 0.47 0.75 0.15 0.00 5.08 -0.90 -2.79 114.58 117.34 3g7i h GLU 116 Ca 0.11 -0.22 -0.29 0.00 -1.00 0.00 0.00 59.36 57.97 3g7i h GLU 116 Cb 0.18 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.36 3g7i h GLU 116 CO -0.00 0.80 -1.40 -0.92 -1.00 0.00 0.00 179.01 176.48 3g7i h TYR 117 N 0.70 0.59 0.00 4.33 3.20 -1.02 -3.41 116.97 121.36 3g7i h TYR 117 Ca 0.13 -0.43 -0.29 0.00 3.14 0.00 0.00 58.73 61.28 3g7i h TYR 117 Cb 0.50 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.70 3g7i h TYR 117 CO 0.03 1.55 -1.83 0.66 -1.64 0.00 0.00 178.16 176.92 3g7i n TYR 118 N -3.85 0.76 0.09 -3.82 4.02 -0.50 -4.47 117.16 109.38 3g7i n TYR 118 Ca -0.22 0.27 -0.13 0.00 -0.01 0.00 0.00 57.90 57.81 3g7i n TYR 118 Cb 0.95 -1.12 -0.11 0.00 -0.02 0.00 0.00 39.34 39.04 3g7i n TYR 118 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 176.86 177.73 3g7i h TYR 119 N 0.00 0.38 0.00 -0.72 -1.99 -1.70 -3.51 116.97 109.44 3g7i h TYR 119 Ca -0.32 -0.26 0.00 0.00 2.00 0.00 0.00 58.73 60.14 3g7i h TYR 119 Cb 2.00 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 40.70 3g7i h TYR 119 CO 0.00 1.17 0.00 -0.35 -0.00 0.00 0.00 178.16 178.98 3g7i n PRO 120 N -3.53 0.00 0.00 4.88 -0.04 -1.26 -5.14 135.00 129.91 3g7i n PRO 120 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 3g7i n PRO 120 Cb 0.96 -0.34 0.00 0.00 -0.04 0.00 0.00 33.50 34.08 3g7i n PRO 120 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3g7i n ASP 131 N -0.27 0.00 0.18 3.54 4.64 -1.26 -5.18 116.55 118.20 3g7i n ASP 131 Ca 0.00 0.00 0.15 0.00 -1.38 0.00 0.00 54.79 53.56 3g7i n ASP 131 Cb 0.00 0.00 0.74 0.00 -1.04 0.00 0.00 41.12 40.82 3g7i n ASP 131 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 3g7i h PRO 132 N 0.00 0.00 0.12 -0.67 0.13 -2.01 -1.66 132.00 127.91 3g7i h PRO 132 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 3g7i h PRO 132 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3g7i h PRO 132 CO 0.00 0.00 -0.06 0.78 -0.23 0.00 0.00 178.00 178.49 3g7i h GLY 133 N 0.00 -0.17 2.00 1.56 0.00 -2.03 -2.14 103.07 102.29 3g7i h GLY 133 Ca 0.09 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.48 3g7i h GLY 133 CO -0.00 -0.06 0.00 3.21 0.00 0.00 0.00 176.54 179.69 3g7i h ARG 134 N -0.76 0.00 -0.03 4.80 3.08 -1.91 -1.73 114.38 117.82 3g7i h ARG 134 Ca -0.02 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3g7i h ARG 134 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3g7i h ARG 134 CO 0.03 0.00 -0.06 1.25 -1.07 0.00 0.00 179.97 180.12 3g7i h LEU 135 N 0.00 0.11 -1.42 3.04 7.12 -1.30 -2.24 115.31 120.62 3g7i h LEU 135 Ca 0.00 -0.55 -0.05 0.00 0.13 0.00 0.00 57.88 57.41 3g7i h LEU 135 Cb 0.56 -0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.65 3g7i h LEU 135 CO 0.00 0.64 -0.14 0.03 -0.13 0.00 0.00 178.44 178.84 3g7i h ARG 136 N -0.42 0.21 -0.35 1.25 3.08 -1.16 -0.02 114.38 116.97 3g7i h ARG 136 Ca 0.00 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 3g7i h ARG 136 Cb 0.62 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 3g7i h ARG 136 CO 0.01 0.36 0.12 1.03 -1.07 0.00 0.00 179.97 180.42 3g7i h SER 137 N 0.20 0.49 -0.16 7.04 0.87 -1.34 -2.08 113.55 118.58 3g7i h SER 137 Ca 0.04 -0.19 -0.09 0.00 -1.23 0.00 0.00 61.79 60.32 3g7i h SER 137 Cb 0.37 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.20 3g7i h SER 137 CO 0.02 0.55 -0.27 -0.03 -0.53 0.00 0.00 176.83 176.58 3g7i h MET 138 N 0.41 0.47 0.00 2.24 1.85 -1.01 -2.84 114.93 116.05 3g7i h MET 138 Ca 0.11 -0.29 -0.02 0.00 -0.61 0.00 0.00 59.70 58.90 3g7i h MET 138 Cb 0.23 0.03 -0.00 0.00 0.43 0.00 0.00 31.60 32.28 3g7i h MET 138 CO -0.01 0.88 -0.09 0.93 -0.40 0.00 0.00 176.91 178.22 3g7i h GLU 139 N 0.10 0.00 -0.55 0.39 5.08 -1.04 -0.52 114.58 118.04 3g7i h GLU 139 Ca 0.01 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 3g7i h GLU 139 Cb 0.85 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 3g7i h GLU 139 CO 0.06 0.09 0.00 0.37 -1.00 0.00 0.00 179.01 178.54 3g7i h GLN 140 N 0.00 0.96 -0.76 2.33 4.15 -1.31 -0.89 115.11 119.60 3g7i h GLN 140 Ca -0.00 -0.30 0.04 0.00 0.77 0.00 0.00 58.65 59.16 3g7i h GLN 140 Cb 0.17 -0.09 -0.05 0.00 0.21 0.00 0.00 27.48 27.72 3g7i h GLN 140 CO 0.01 0.97 0.47 0.00 -1.93 0.00 0.00 178.83 178.35 3g7i h ALA 141 N 0.96 1.01 -0.36 3.38 0.00 -0.87 0.34 119.26 123.72 3g7i h ALA 141 Ca 0.16 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 3g7i h ALA 141 Cb 0.53 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3g7i h ALA 141 CO 0.03 0.23 -0.27 -0.07 0.00 0.00 0.00 179.25 179.17 3g7i h LEU 142 N 0.89 0.77 -0.47 0.00 3.38 -1.20 -1.87 115.31 116.81 3g7i h LEU 142 Ca 0.32 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 3g7i h LEU 142 Cb 0.08 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3g7i h LEU 142 CO -0.14 0.99 0.03 -0.08 0.09 0.00 0.00 178.44 179.34 3g7i h GLU 143 N 0.64 0.81 0.08 1.13 4.57 -0.76 0.45 114.58 121.50 3g7i h GLU 143 Ca 0.08 -0.24 0.02 0.00 -1.18 0.00 0.00 59.36 58.04 3g7i h GLU 143 Cb 0.78 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.25 3g7i h GLU 143 CO 0.06 0.84 -0.28 0.74 -1.18 0.00 0.00 179.01 179.19 3g7i h PHE 144 N 0.67 -0.77 -0.58 0.92 0.05 -0.77 -0.89 116.94 115.57 3g7i h PHE 144 Ca 0.14 0.02 0.09 0.00 3.82 0.00 0.00 57.97 62.04 3g7i h PHE 144 Cb 0.46 0.33 -0.07 0.00 2.00 0.00 0.00 35.95 38.67 3g7i h PHE 144 CO 0.03 -0.39 0.20 1.25 -0.18 0.00 0.00 178.31 179.23 3g7i h LEU 145 N -0.48 0.18 -0.81 1.54 5.85 -1.18 0.20 115.31 120.61 3g7i h LEU 145 Ca 0.04 0.08 0.10 0.00 0.84 0.00 0.00 57.88 58.94 3g7i h LEU 145 Cb 0.52 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.55 3g7i h LEU 145 CO -0.19 0.11 0.45 -1.13 -0.34 0.00 0.00 178.44 177.34 3g7i h ASN 146 N 0.37 0.62 -0.58 1.25 -1.24 -0.62 -1.58 115.58 113.80 3g7i h ASN 146 Ca 0.29 0.05 -0.10 0.00 0.71 0.00 0.00 56.30 57.25 3g7i h ASN 146 Cb 0.36 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.33 3g7i h ASN 146 CO -0.31 0.35 -0.04 0.74 -1.29 0.00 0.00 177.43 176.88 3g7i h THR 147 N 0.74 1.27 -0.73 -3.57 2.02 -0.07 -2.73 112.91 109.85 3g7i h THR 147 Ca 0.40 -1.20 0.07 0.00 0.77 0.00 0.00 66.41 66.44 3g7i h THR 147 Cb 0.39 0.87 -0.05 0.00 -1.74 0.00 0.00 68.15 67.63 3g7i h THR 147 CO -0.26 0.43 0.48 -0.26 0.37 0.00 0.00 175.52 176.28 3g7i h PHE 148 N 0.95 0.76 -0.34 3.16 0.05 -0.30 -2.65 116.94 118.57 3g7i h PHE 148 Ca 0.16 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.97 3g7i h PHE 148 Cb 0.61 -0.25 0.00 0.00 2.00 0.00 0.00 35.95 38.31 3g7i h PHE 148 CO 0.04 0.40 0.00 1.28 -0.18 0.00 0.00 178.31 179.85 3g7i n LEU 149 N -4.48 2.27 -4.63 1.54 4.77 -0.66 -4.77 117.00 111.03 3g7i n LEU 149 Ca 0.11 -1.05 -0.43 0.00 -0.03 0.00 0.00 56.01 54.61 3g7i n LEU 149 Cb 0.24 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 3g7i n LEU 149 CO 0.34 0.53 1.52 -0.70 -1.33 0.00 0.00 177.39 177.74 3g7i s GLU 150 N -1.55 3.70 -0.42 3.23 2.56 -1.00 -2.29 118.70 122.93 3g7i s GLU 150 Ca 0.32 1.89 0.00 0.00 0.00 0.00 0.00 54.97 57.18 3g7i s GLU 150 Cb 0.17 -4.14 0.00 0.00 2.00 0.00 0.00 34.13 32.17 3g7i s GLU 150 CO 0.24 -1.43 0.00 0.41 -0.56 0.00 0.00 175.26 173.92 3g7i n GLY 151 N 4.90 0.61 3.14 -1.50 0.00 -1.26 -5.00 105.19 106.09 3g7i n GLY 151 Ca 0.21 -0.23 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 3g7i n GLY 151 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g7i s GLU 152 N -1.69 1.43 0.10 1.61 0.41 -0.97 -5.04 118.70 114.55 3g7i s GLU 152 Ca 0.00 -0.59 -0.11 0.00 -0.41 0.00 0.00 54.97 53.86 3g7i s GLU 152 Cb 0.00 -1.35 -0.17 0.00 -1.78 0.00 0.00 34.13 30.83 3g7i s GLU 152 CO 0.00 0.33 1.25 1.96 -0.49 0.00 0.00 175.26 178.31 3g7i h GLN 153 N 5.86 0.66 -5.99 1.61 1.08 -1.86 -3.45 115.11 113.01 3g7i h GLN 153 Ca -0.35 -0.65 -0.53 0.00 -1.45 0.00 0.00 58.65 55.66 3g7i h GLN 153 Cb 1.16 0.17 -0.18 0.00 -0.05 0.00 0.00 27.48 28.58 3g7i h GLN 153 CO 0.48 1.25 -0.78 0.71 -0.95 0.00 0.00 178.83 179.54 3g7i s TYR 154 N -3.44 1.88 0.48 2.96 1.51 -1.26 -4.81 117.35 114.66 3g7i s TYR 154 Ca -0.09 -0.46 0.14 0.00 -1.01 0.00 0.00 57.07 55.65 3g7i s TYR 154 Cb 0.08 -0.93 1.11 0.00 -0.11 0.00 0.00 41.96 42.11 3g7i s TYR 154 CO 0.90 0.36 2.08 -0.39 -1.11 0.00 0.00 175.55 177.39 3g7i h VAL 155 N 3.19 1.06 -0.19 0.71 -1.51 -1.91 -0.99 116.25 116.61 3g7i h VAL 155 Ca -0.42 -0.27 -0.01 0.00 -1.23 0.00 0.00 66.70 64.77 3g7i h VAL 155 Cb 1.21 1.07 -0.01 0.00 -2.13 0.00 0.00 31.29 31.43 3g7i h VAL 155 CO 0.51 0.08 -0.01 0.00 -1.23 0.00 0.00 177.57 176.92 3g7i n ALA 156 N -2.52 2.89 -0.45 5.19 0.00 -1.26 -4.83 120.51 119.54 3g7i n ALA 156 Ca -0.02 -2.49 0.00 0.00 0.00 0.00 0.00 53.44 50.93 3g7i n ALA 156 Cb 0.15 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 18.98 3g7i n ALA 156 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g7i n GLY 157 N -0.84 -0.96 0.00 0.00 0.00 -0.38 -4.69 105.19 98.32 3g7i n GLY 157 Ca 0.21 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 45.07 3g7i n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g7i n GLY 158 N 0.00 0.62 0.24 -0.02 0.00 -1.26 -4.65 105.19 100.11 3g7i n GLY 158 Ca 0.00 -1.95 0.11 0.00 0.00 0.00 0.00 46.02 44.18 3g7i n GLY 158 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3g7i n ASP 159 N -0.33 1.42 -4.10 1.61 8.00 -1.26 -4.63 116.55 117.26 3g7i n ASP 159 Ca 0.00 -1.17 -0.09 0.00 0.71 0.00 0.00 54.79 54.24 3g7i n ASP 159 Cb 0.00 0.64 -0.10 0.00 -0.02 0.00 0.00 41.12 41.64 3g7i n ASP 159 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3g7i s ASP 160 N -2.73 0.75 0.45 -2.24 1.11 -1.26 -5.08 116.67 107.67 3g7i s ASP 160 Ca 0.14 -0.87 -0.25 0.00 0.18 0.00 0.00 52.55 51.75 3g7i s ASP 160 Cb 0.17 0.13 -0.08 0.00 1.07 0.00 0.00 42.92 44.20 3g7i s ASP 160 CO 0.70 -0.46 1.35 -2.65 1.18 0.00 0.00 175.17 175.29 3g7i n PRO 161 N 0.44 2.04 -4.05 8.23 -0.02 -1.26 -4.95 135.00 135.42 3g7i n PRO 161 Ca -0.16 0.73 -0.26 0.00 -2.02 0.00 0.00 63.50 61.80 3g7i n PRO 161 Cb 0.59 -2.52 -0.05 0.00 -0.02 0.00 0.00 33.50 31.50 3g7i n PRO 161 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3g7i s THR 162 N -1.21 2.03 0.60 3.45 -4.23 -1.26 -4.21 115.64 110.81 3g7i s THR 162 Ca 0.62 -1.62 0.30 0.00 -1.18 0.00 0.00 61.69 59.81 3g7i s THR 162 Cb -0.47 -2.65 0.36 0.00 1.34 0.00 0.00 72.50 71.09 3g7i s THR 162 CO 0.57 0.00 2.08 0.16 -0.54 0.00 0.00 174.62 176.89 3g7i h ILE 163 N 1.16 0.40 -0.76 2.99 3.07 -1.27 -0.20 117.51 122.90 3g7i h ILE 163 Ca -0.41 0.00 -0.02 0.00 1.55 0.00 0.00 64.86 65.98 3g7i h ILE 163 Cb 1.28 0.82 -0.04 0.00 -0.27 0.00 0.00 36.82 38.61 3g7i h ILE 163 CO 0.65 0.00 0.38 0.00 -1.05 0.00 0.00 178.15 178.13 3g7i h ALA 164 N 1.72 0.98 -0.78 0.16 0.00 -1.86 -0.71 119.26 118.77 3g7i h ALA 164 Ca 0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3g7i h ALA 164 Cb 0.53 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 3g7i h ALA 164 CO -0.00 0.52 0.40 -0.44 0.00 0.00 0.00 179.25 179.73 3g7i h ASP 165 N 1.06 0.99 -0.48 0.00 3.32 -1.42 -1.43 116.42 118.46 3g7i h ASP 165 Ca 0.26 -0.12 -0.12 0.00 0.02 0.00 0.00 57.03 57.08 3g7i h ASP 165 Cb 0.09 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 3g7i h ASP 165 CO -0.04 0.82 -0.15 -0.07 -1.72 0.00 0.00 179.24 178.08 3g7i h LEU 166 N 1.08 0.97 -0.00 1.55 4.07 -1.22 0.24 115.31 122.00 3g7i h LEU 166 Ca 0.27 -0.38 -0.00 0.00 0.08 0.00 0.00 57.88 57.85 3g7i h LEU 166 Cb 0.07 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 41.55 3g7i h LEU 166 CO -0.04 1.12 0.00 -1.28 -1.08 0.00 0.00 178.44 177.16 3g7i h SER 167 N 0.80 0.00 0.40 -0.43 0.87 -1.04 -2.79 113.55 111.37 3g7i h SER 167 Ca 0.12 -0.27 -0.08 0.00 -1.23 0.00 0.00 61.79 60.33 3g7i h SER 167 Cb 0.72 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 3g7i h SER 167 CO 0.05 0.27 -0.38 0.40 -0.53 0.00 0.00 176.83 176.65 3g7i h ILE 168 N -0.27 1.25 -0.74 2.23 2.04 -1.19 -2.41 117.51 118.43 3g7i h ILE 168 Ca 0.00 -1.32 0.00 0.00 1.00 0.00 0.00 64.86 64.54 3g7i h ILE 168 Cb 0.27 1.72 -0.04 0.00 -0.74 0.00 0.00 36.82 38.03 3g7i h ILE 168 CO 0.00 0.37 0.47 0.25 0.00 0.00 0.00 178.15 179.25 3g7i h LEU 169 N 0.00 0.87 -0.24 1.44 5.85 -0.49 0.16 115.31 122.89 3g7i h LEU 169 Ca -0.00 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 3g7i h LEU 169 Cb 0.69 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 3g7i h LEU 169 CO 0.05 0.65 0.15 0.00 -0.34 0.00 0.00 178.44 178.94 3g7i h ALA 170 N 1.26 0.31 0.10 1.25 0.00 -1.16 -1.11 119.26 119.90 3g7i h ALA 170 Ca 0.27 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3g7i h ALA 170 Cb -0.08 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3g7i h ALA 170 CO -0.05 -0.18 -0.05 1.15 0.00 0.00 0.00 179.25 180.12 3g7i h THR 171 N 0.30 0.92 -0.18 0.00 2.02 -1.15 -2.89 112.91 111.92 3g7i h THR 171 Ca 0.09 -0.04 -0.09 0.00 0.77 0.00 0.00 66.41 67.14 3g7i h THR 171 Cb 0.02 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 3g7i h THR 171 CO -0.02 0.01 -0.29 0.40 0.37 0.00 0.00 175.52 176.00 3g7i h ILE 172 N -0.14 1.27 -0.46 3.11 1.08 -0.64 -1.76 117.51 119.95 3g7i h ILE 172 Ca -0.01 -1.27 -0.02 0.00 -0.39 0.00 0.00 64.86 63.17 3g7i h ILE 172 Cb 0.11 1.44 -0.02 0.00 -3.07 0.00 0.00 36.82 35.28 3g7i h ILE 172 CO 0.02 0.39 0.22 0.00 -0.69 0.00 0.00 178.15 178.09 3g7i h ALA 173 N 1.39 1.51 -0.55 1.87 0.00 -1.17 -1.00 119.26 121.32 3g7i h ALA 173 Ca 0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3g7i h ALA 173 Cb 0.67 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3g7i h ALA 173 CO 0.05 0.39 0.20 1.15 0.00 0.00 0.00 179.25 181.04 3g7i h THR 174 N 0.65 1.23 -0.84 0.00 2.02 -1.12 -2.14 112.91 112.70 3g7i h THR 174 Ca 0.16 -0.73 0.10 0.00 0.77 0.00 0.00 66.41 66.72 3g7i h THR 174 Cb 0.08 0.68 -0.08 0.00 -1.74 0.00 0.00 68.15 67.09 3g7i h THR 174 CO -0.02 0.28 0.47 1.88 0.37 0.00 0.00 175.52 178.50 3g7i h TYR 175 N 0.75 0.86 -0.17 3.16 -1.99 -0.94 -1.10 116.97 117.54 3g7i h TYR 175 Ca 0.18 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.92 3g7i h TYR 175 Cb 0.23 -0.26 -0.01 0.00 2.00 0.00 0.00 36.73 38.70 3g7i h TYR 175 CO 0.01 0.33 0.03 1.49 -0.00 0.00 0.00 178.16 180.02 3g7i h GLU 176 N 0.77 0.27 0.00 4.88 4.81 -0.92 -2.42 114.58 121.97 3g7i h GLU 176 Ca 0.41 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.48 3g7i h GLU 176 Cb 0.42 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 3g7i h GLU 176 CO -0.27 0.44 -0.45 -0.39 -0.73 0.00 0.00 179.01 177.61 3g7i h VAL 177 N 0.07 1.07 -0.99 0.32 -1.51 -1.28 -2.55 116.25 111.38 3g7i h VAL 177 Ca 0.05 -1.68 0.07 0.00 -1.23 0.00 0.00 66.70 63.91 3g7i h VAL 177 Cb 0.29 1.97 -0.07 0.00 -2.13 0.00 0.00 31.29 31.36 3g7i h VAL 177 CO 0.00 0.44 0.64 0.00 -1.23 0.00 0.00 177.57 177.42 3g7i h ALA 178 N 1.55 1.38 0.00 5.19 0.00 -1.09 -3.46 119.26 122.83 3g7i h ALA 178 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3g7i h ALA 178 Cb 0.94 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3g7i h ALA 178 CO 0.06 0.42 0.00 0.41 0.00 0.00 0.00 179.25 180.14 3g7i n GLY 179 N -1.36 1.45 3.74 0.00 0.00 -0.96 -5.11 105.19 102.96 3g7i n GLY 179 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3g7i n GLY 179 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3g7i s TYR 180 N -1.80 3.61 -0.94 1.61 5.04 -0.93 -4.95 117.35 118.98 3g7i s TYR 180 Ca 0.00 1.61 -0.24 0.00 -2.44 0.00 0.00 57.07 56.00 3g7i s TYR 180 Cb 0.00 -3.26 0.00 0.00 0.35 0.00 0.00 41.96 39.06 3g7i s TYR 180 CO 0.00 -0.54 1.67 0.34 -1.34 0.00 0.00 175.55 175.68 3g7i s ASP 181 N -0.02 5.85 0.46 4.32 2.15 -1.26 -4.68 116.67 123.49 3g7i s ASP 181 Ca 0.50 -1.00 0.25 0.00 0.43 0.00 0.00 52.55 52.73 3g7i s ASP 181 Cb -0.29 -2.56 0.99 0.00 -0.30 0.00 0.00 42.92 40.76 3g7i s ASP 181 CO 0.34 -2.09 1.85 -0.07 -0.17 0.00 0.00 175.17 175.04 3g7i h LEU 182 N 15.12 0.00 -2.26 -1.34 3.38 -1.94 -2.94 115.31 125.33 3g7i h LEU 182 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3g7i h LEU 182 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 3g7i h LEU 182 CO 1.32 0.19 0.00 0.03 0.09 0.00 0.00 178.44 180.07 3g7i h ARG 183 N 0.00 0.00 0.00 1.13 3.08 -1.98 0.12 114.38 116.73 3g7i h ARG 183 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3g7i h ARG 183 Cb 0.70 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.75 3g7i h ARG 183 CO 0.02 0.00 -0.01 0.00 -1.07 0.00 0.00 179.97 178.92 3g7i h ARG 184 N 0.00 0.00 -3.52 0.04 3.08 -1.93 -3.33 114.38 108.72 3g7i h ARG 184 Ca 0.00 0.00 -0.70 0.00 0.07 0.00 0.00 59.98 59.35 3g7i h ARG 184 Cb 0.04 0.00 -0.35 0.00 0.08 0.00 0.00 29.97 29.74 3g7i h ARG 184 CO 0.00 0.01 -0.28 0.71 -1.07 0.00 0.00 179.97 179.34 3g7i s TYR 185 N -4.90 3.52 0.29 3.04 1.51 0.41 -4.98 117.35 116.24 3g7i s TYR 185 Ca -0.05 -2.74 0.04 0.00 -1.01 0.00 0.00 57.07 53.31 3g7i s TYR 185 Cb 0.16 -3.25 0.75 0.00 -0.11 0.00 0.00 41.96 39.51 3g7i s TYR 185 CO 0.63 -0.82 1.68 0.93 -1.11 0.00 0.00 175.55 176.85 3g7i h GLU 186 N 6.84 0.33 -0.08 -0.62 3.07 -1.77 -0.47 114.58 121.88 3g7i h GLU 186 Ca 0.03 -0.02 -0.21 0.00 -0.50 0.00 0.00 59.36 58.66 3g7i h GLU 186 Cb 0.93 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.76 3g7i h GLU 186 CO 0.74 0.22 -0.80 -0.91 -1.40 0.00 0.00 179.01 176.86 3g7i h ASN 187 N 0.34 0.65 0.03 1.42 2.35 -1.92 -2.41 115.58 116.04 3g7i h ASN 187 Ca 0.57 -0.45 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3g7i h ASN 187 Cb 1.11 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.29 3g7i h ASN 187 CO -0.56 1.22 -0.02 0.58 -1.65 0.00 0.00 177.43 177.00 3g7i h VAL 188 N 0.35 1.19 -0.12 2.81 2.07 -1.45 -0.34 116.25 120.75 3g7i h VAL 188 Ca -0.05 -0.70 0.03 0.00 0.82 0.00 0.00 66.70 66.80 3g7i h VAL 188 Cb 1.41 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 32.80 3g7i h VAL 188 CO 0.15 0.18 -0.06 -0.61 0.02 0.00 0.00 177.57 177.24 3g7i h GLN 189 N -0.35 -0.05 0.07 1.57 5.75 -1.31 0.15 115.11 120.94 3g7i h GLN 189 Ca -0.00 0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.52 3g7i h GLN 189 Cb 0.33 0.01 -0.05 0.00 1.07 0.00 0.00 27.48 28.84 3g7i h GLN 189 CO 0.01 -0.03 -0.44 -0.09 -2.65 0.00 0.00 178.83 175.62 3g7i h ARG 190 N -0.05 -0.62 -0.74 1.69 2.43 -1.44 -0.69 114.38 114.97 3g7i h ARG 190 Ca 0.07 0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.37 3g7i h ARG 190 Cb 0.15 0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 29.77 3g7i h ARG 190 CO -0.16 -0.41 0.39 2.35 -1.51 0.00 0.00 179.97 180.63 3g7i h TRP 191 N -0.64 0.70 -0.20 2.20 7.01 -0.94 -2.12 115.95 121.96 3g7i h TRP 191 Ca 0.03 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.05 3g7i h TRP 191 Cb 0.69 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.53 3g7i h TRP 191 CO -0.41 0.27 0.10 -0.92 -2.79 0.00 0.00 178.44 174.69 3g7i h TYR 192 N 0.66 0.28 0.01 2.65 3.20 -0.38 0.15 116.97 123.54 3g7i h TYR 192 Ca 0.36 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.21 3g7i h TYR 192 Cb 0.34 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.53 3g7i h TYR 192 CO -0.09 0.28 -0.01 0.93 -1.64 0.00 0.00 178.16 177.63 3g7i h GLU 193 N 0.19 -0.02 -0.21 1.82 5.08 -1.02 -1.31 114.58 119.12 3g7i h GLU 193 Ca 0.07 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.28 3g7i h GLU 193 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3g7i h GLU 193 CO -0.01 0.04 -0.44 0.00 -1.00 0.00 0.00 179.01 177.60 3g7i h ARG 194 N -0.07 0.66 -0.48 2.33 3.08 -1.34 -2.55 114.38 116.01 3g7i h ARG 194 Ca -0.00 -0.43 -0.07 0.00 0.07 0.00 0.00 59.98 59.54 3g7i h ARG 194 Cb 0.07 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 3g7i h ARG 194 CO 0.00 1.05 0.02 1.15 -1.07 0.00 0.00 179.97 181.12 3g7i h THR 195 N 0.35 1.26 0.00 2.04 2.02 -1.00 -2.53 112.91 115.05 3g7i h THR 195 Ca 0.00 -1.04 -0.01 0.00 0.77 0.00 0.00 66.41 66.14 3g7i h THR 195 Cb 1.04 0.98 -0.00 0.00 -1.74 0.00 0.00 68.15 68.43 3g7i h THR 195 CO 0.10 0.36 -0.06 0.28 0.37 0.00 0.00 175.52 176.57 3g7i h SER 196 N 0.70 0.00 1.27 4.18 0.02 -1.24 -1.11 113.55 117.37 3g7i h SER 196 Ca 0.14 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 3g7i h SER 196 Cb 0.48 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 3g7i h SER 196 CO 0.02 0.06 -0.33 0.00 -1.14 0.00 0.00 176.83 175.44 3g7i h ALA 197 N 1.94 0.87 0.00 3.77 0.00 -1.03 -3.39 119.26 121.42 3g7i h ALA 197 Ca -0.00 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 3g7i h ALA 197 Cb 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3g7i h ALA 197 CO 0.01 0.41 -1.48 0.44 0.00 0.00 0.00 179.25 178.63 3g7i n ILE 198 N -3.30 0.21 -2.65 0.00 -5.35 -0.83 -4.99 119.36 102.46 3g7i n ILE 198 Ca 0.01 -0.27 -0.42 0.00 -0.27 0.00 0.00 62.75 61.81 3g7i n ILE 198 Cb 0.57 -0.10 -0.04 0.00 -1.74 0.00 0.00 39.64 38.34 3g7i n ILE 198 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3g7i s VAL 199 N -2.48 4.47 0.17 7.28 1.01 -0.48 -4.99 120.40 125.38 3g7i s VAL 199 Ca -0.04 1.91 -0.31 0.00 0.00 0.00 0.00 61.98 63.54 3g7i s VAL 199 Cb 0.05 -4.22 -0.10 0.00 0.00 0.00 0.00 36.38 32.11 3g7i s VAL 199 CO 0.37 0.23 1.49 -2.16 0.00 0.00 0.00 175.10 175.03 3g7i s PRO 200 N 0.45 4.25 0.00 2.72 0.04 -1.26 -2.22 135.00 138.98 3g7i s PRO 200 Ca 0.51 2.28 0.00 0.00 0.04 0.00 0.00 61.00 63.83 3g7i s PRO 200 Cb -0.24 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.13 3g7i s PRO 200 CO 0.30 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 177.23 3g7i n GLY 201 N 3.32 0.59 0.21 0.56 0.00 -1.26 -4.71 105.19 103.90 3g7i n GLY 201 Ca 0.12 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.20 3g7i n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g7i h ALA 202 N 0.00 1.24 -0.42 4.61 0.00 -1.72 -2.31 119.26 120.67 3g7i h ALA 202 Ca 0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 3g7i h ALA 202 Cb 0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3g7i h ALA 202 CO 0.00 0.38 -0.03 0.38 0.00 0.00 0.00 179.25 179.98 3g7i h ASP 203 N 0.00 0.66 -0.14 0.00 2.03 -1.81 -2.49 116.42 114.67 3g7i h ASP 203 Ca -0.00 -0.16 -0.07 0.00 -0.73 0.00 0.00 57.03 56.07 3g7i h ASP 203 Cb 0.65 -0.17 -0.02 0.00 -0.83 0.00 0.00 39.33 38.96 3g7i h ASP 203 CO 0.04 0.75 -0.12 0.11 -1.03 0.00 0.00 179.24 178.99 3g7i h LYS 204 N 0.64 0.50 0.75 4.15 1.57 -1.83 -0.13 116.57 122.22 3g7i h LYS 204 Ca 0.13 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 3g7i h LYS 204 Cb 0.45 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.71 3g7i h LYS 204 CO 0.02 0.62 -0.37 -0.97 -0.57 0.00 0.00 179.45 178.18 3g7i h ASN 205 N 0.46 -0.87 -0.55 0.86 -1.24 -1.07 0.12 115.58 113.30 3g7i h ASN 205 Ca 0.09 0.03 -0.08 0.00 0.71 0.00 0.00 56.30 57.05 3g7i h ASN 205 Cb 0.49 0.23 -0.02 0.00 0.73 0.00 0.00 38.32 39.74 3g7i h ASN 205 CO 0.03 -0.62 0.05 -0.37 -1.29 0.00 0.00 177.43 175.23 3g7i h VAL 206 N -1.02 1.26 -0.41 2.57 -1.51 -1.44 0.21 116.25 115.92 3g7i h VAL 206 Ca -0.10 -1.04 0.07 0.00 -1.23 0.00 0.00 66.70 64.40 3g7i h VAL 206 Cb 0.78 0.86 -0.06 0.00 -2.13 0.00 0.00 31.29 30.73 3g7i h VAL 206 CO 0.17 0.37 0.01 -0.08 -1.23 0.00 0.00 177.57 176.81 3g7i h GLU 207 N 0.82 0.12 -0.17 5.19 4.81 -0.98 0.29 114.58 124.66 3g7i h GLU 207 Ca 0.16 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.24 3g7i h GLU 207 Cb 0.47 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 3g7i h GLU 207 CO 0.02 0.08 -0.49 0.78 -0.73 0.00 0.00 179.01 178.66 3g7i h GLY 208 N 0.12 0.49 0.96 1.92 0.00 -0.48 0.23 103.07 106.31 3g7i h GLY 208 Ca 0.20 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 3g7i h GLY 208 CO -0.32 0.48 0.18 0.00 0.00 0.00 0.00 176.54 176.87 3g7i h ALA 209 N 1.11 0.42 0.13 3.60 0.00 0.04 -2.96 119.26 121.61 3g7i h ALA 209 Ca 0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3g7i h ALA 209 Cb 1.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3g7i h ALA 209 CO 0.09 -0.04 -0.06 0.87 0.00 0.00 0.00 179.25 180.10 3g7i h LYS 210 N 0.41 -0.17 -0.19 0.00 1.57 -0.31 -0.06 116.57 117.82 3g7i h LYS 210 Ca 0.12 0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.81 3g7i h LYS 210 Cb 0.07 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 3g7i h LYS 210 CO -0.02 0.27 -0.29 0.28 -0.57 0.00 0.00 179.45 179.12 3g7i h VAL 211 N -0.69 1.27 0.00 0.50 2.07 -1.07 -3.38 116.25 114.95 3g7i h VAL 211 Ca -0.02 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.21 3g7i h VAL 211 Cb 0.51 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 3g7i h VAL 211 CO 0.03 0.40 -0.41 0.49 0.02 0.00 0.00 177.57 178.10 3g7i n PHE 212 N -4.11 0.00 0.14 1.57 3.01 -1.12 -5.08 117.46 111.87 3g7i n PHE 212 Ca -0.01 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.46 3g7i n PHE 212 Cb 0.41 -0.21 0.07 0.00 -0.01 0.00 0.00 39.48 39.74 3g7i n PHE 212 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18