#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 7.37 -0.25 7.83 1.01 -0.85 -0.63 116.67 131.14 3g7i s ASP 2 Ca 0.00 2.06 0.00 0.00 0.71 0.00 0.00 52.55 55.32 3g7i s ASP 2 Cb 0.00 -2.61 0.07 0.00 1.01 0.00 0.00 42.92 41.39 3g7i s ASP 2 CO 0.00 -0.12 -0.01 0.12 0.21 0.00 0.00 175.17 175.37 3g7i s PHE 3 N -0.55 2.28 -0.33 4.23 5.36 0.24 -1.05 117.98 128.16 3g7i s PHE 3 Ca 0.47 -1.79 -0.23 0.00 -0.96 0.00 0.00 56.93 54.42 3g7i s PHE 3 Cb -0.28 -1.68 0.00 0.00 -0.34 0.00 0.00 43.02 40.72 3g7i s PHE 3 CO 0.35 -0.79 0.78 0.71 -1.46 0.00 0.00 175.22 174.81 3g7i s TYR 4 N 1.43 3.16 0.24 10.12 1.51 0.54 0.40 117.35 134.75 3g7i s TYR 4 Ca -0.01 0.69 -0.14 0.00 -1.01 0.00 0.00 57.07 56.60 3g7i s TYR 4 Cb -0.18 -3.29 0.00 0.00 -0.11 0.00 0.00 41.96 38.37 3g7i s TYR 4 CO -0.10 -0.64 0.50 1.52 -1.11 0.00 0.00 175.55 175.73 3g7i s TYR 5 N 3.01 0.24 -0.02 2.71 -0.85 -0.21 -1.68 117.35 120.56 3g7i s TYR 5 Ca 0.32 -0.61 0.02 0.00 -0.52 0.00 0.00 57.07 56.28 3g7i s TYR 5 Cb -0.14 0.26 0.00 0.00 0.38 0.00 0.00 41.96 42.47 3g7i s TYR 5 CO 0.14 -1.00 -0.09 -0.51 -1.52 0.00 0.00 175.55 172.58 3g7i s LEU 6 N -2.99 1.82 0.38 -3.49 1.43 -1.26 -1.77 118.68 112.80 3g7i s LEU 6 Ca 0.19 -0.18 0.08 0.00 -1.03 0.00 0.00 54.13 53.19 3g7i s LEU 6 Cb -0.01 -0.53 0.82 0.00 0.03 0.00 0.00 46.19 46.50 3g7i s LEU 6 CO 0.07 0.07 1.98 1.55 0.23 0.00 0.00 176.35 180.25 3g7i h PRO 7 N 6.32 0.63 0.00 1.29 0.13 -1.99 -1.90 132.00 136.48 3g7i h PRO 7 Ca -0.33 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3g7i h PRO 7 Cb 1.17 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 3g7i h PRO 7 CO 0.49 0.42 -0.02 0.78 -0.23 0.00 0.00 178.00 179.44 3g7i h GLY 8 N 0.65 0.00 -5.17 1.56 0.00 -1.91 -3.38 103.07 94.83 3g7i h GLY 8 Ca 0.28 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 47.04 3g7i h GLY 8 CO -0.09 0.00 0.85 -0.45 0.00 0.00 0.00 176.54 176.86 3g7i s SER 9 N -5.51 7.01 0.13 0.19 0.15 -0.72 -4.51 113.70 110.45 3g7i s SER 9 Ca -0.02 1.50 -0.20 0.00 0.70 0.00 0.00 55.95 57.92 3g7i s SER 9 Cb 0.11 -2.54 -0.01 0.00 -1.71 0.00 0.00 66.02 61.88 3g7i s SER 9 CO 0.49 -0.73 1.69 0.00 1.20 0.00 0.00 173.24 175.88 3g7i h ALA 10 N 7.88 0.08 -0.84 5.45 0.00 -1.86 -0.46 119.26 129.51 3g7i h ALA 10 Ca -0.23 0.08 0.12 0.00 0.00 0.00 0.00 54.91 54.89 3g7i h ALA 10 Cb 1.08 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 19.01 3g7i h ALA 10 CO 0.98 -0.52 0.45 -1.35 0.00 0.00 0.00 179.25 178.82 3g7i h PRO 11 N -0.07 0.68 -0.51 0.00 0.11 -1.93 -0.21 132.00 130.07 3g7i h PRO 11 Ca 0.11 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.18 3g7i h PRO 11 Cb 0.23 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.16 3g7i h PRO 11 CO -0.25 0.45 0.32 0.00 -0.21 0.00 0.00 178.00 178.32 3g7i h ARG 13 N 0.69 0.82 -0.81 0.00 3.08 -0.33 -1.48 114.38 116.33 3g7i h ARG 13 Ca 0.18 -0.19 0.03 0.00 0.07 0.00 0.00 59.98 60.08 3g7i h ARG 13 Cb -0.05 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 29.84 3g7i h ARG 13 CO -0.04 0.77 0.52 0.00 -1.07 0.00 0.00 179.97 180.15 3g7i h ALA 14 N 1.30 1.07 -0.32 0.04 0.00 -0.96 -1.29 119.26 119.11 3g7i h ALA 14 Ca 0.16 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3g7i h ALA 14 Cb 0.36 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3g7i h ALA 14 CO 0.01 0.33 -0.03 0.28 0.00 0.00 0.00 179.25 179.84 3g7i h VAL 15 N 1.00 1.27 -0.62 0.00 2.07 -1.19 -1.83 116.25 116.95 3g7i h VAL 15 Ca 0.33 -1.02 0.07 0.00 0.82 0.00 0.00 66.70 66.90 3g7i h VAL 15 Cb 0.02 1.30 -0.06 0.00 -1.52 0.00 0.00 31.29 31.03 3g7i h VAL 15 CO -0.12 0.33 0.30 1.56 0.02 0.00 0.00 177.57 179.66 3g7i h GLN 16 N 0.37 0.53 -0.66 1.57 4.20 -0.93 0.19 115.11 120.37 3g7i h GLN 16 Ca 0.09 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.71 3g7i h GLN 16 Cb 0.49 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 3g7i h GLN 16 CO 0.02 0.35 0.18 0.52 -0.67 0.00 0.00 178.83 179.24 3g7i h MET 17 N 0.55 1.04 -0.54 1.46 2.86 -1.20 -1.38 114.93 117.72 3g7i h MET 17 Ca 0.29 -0.24 -0.04 0.00 -2.06 0.00 0.00 59.70 57.65 3g7i h MET 17 Cb 0.26 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 3g7i h MET 17 CO -0.22 0.92 0.17 1.15 1.06 0.00 0.00 176.91 179.98 3g7i h THR 18 N 0.97 1.23 -0.56 2.22 2.02 -0.57 -0.70 112.91 117.52 3g7i h THR 18 Ca 0.21 -0.79 -0.06 0.00 0.77 0.00 0.00 66.41 66.54 3g7i h THR 18 Cb 0.33 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 3g7i h THR 18 CO -0.00 0.29 0.13 0.00 0.37 0.00 0.00 175.52 176.31 3g7i h ALA 19 N 1.03 0.74 -0.60 6.16 0.00 -0.56 -1.71 119.26 124.32 3g7i h ALA 19 Ca 0.17 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.92 3g7i h ALA 19 Cb 0.28 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 3g7i h ALA 19 CO -0.01 0.44 0.31 0.00 0.00 0.00 0.00 179.25 180.00 3g7i h ALA 20 N 1.02 0.79 -0.52 0.00 0.00 -1.09 0.23 119.26 119.70 3g7i h ALA 20 Ca 0.17 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3g7i h ALA 20 Cb 0.35 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3g7i h ALA 20 CO 0.00 -0.03 0.28 0.00 0.00 0.00 0.00 179.25 179.50 3g7i h ALA 21 N 1.33 1.53 -0.02 0.00 0.00 -0.46 -2.70 119.26 118.94 3g7i h ALA 21 Ca 0.27 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3g7i h ALA 21 Cb 0.19 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3g7i h ALA 21 CO -0.19 0.39 -0.10 1.33 0.00 0.00 0.00 179.25 180.68 3g7i n VAL 22 N -4.41 0.00 -1.56 0.00 0.24 -0.71 -4.94 118.33 106.95 3g7i n VAL 22 Ca 0.04 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 3g7i n VAL 22 Cb 0.10 1.09 0.00 0.00 -1.47 0.00 0.00 33.84 33.55 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 1.31 0.45 3.71 7.63 0.00 -0.59 -4.65 105.19 113.04 3g7i n GLY 23 Ca 0.14 -0.91 -0.37 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 -2.00 5.27 -0.27 1.61 1.01 0.70 -5.01 120.40 121.71 3g7i s VAL 24 Ca 0.00 0.60 -0.14 0.00 0.00 0.00 0.00 61.98 62.44 3g7i s VAL 24 Cb 0.00 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 3g7i s VAL 24 CO 0.00 0.34 0.34 -1.61 0.00 0.00 0.00 175.10 174.17 3g7i s GLU 25 N 0.74 4.02 -0.08 2.72 0.41 -1.26 -4.12 118.70 121.12 3g7i s GLU 25 Ca 0.17 -0.02 -0.17 0.00 -0.41 0.00 0.00 54.97 54.55 3g7i s GLU 25 Cb -0.14 -3.65 -0.05 0.00 -1.78 0.00 0.00 34.13 28.52 3g7i s GLU 25 CO 0.05 -0.24 0.44 -0.51 -0.49 0.00 0.00 175.26 174.52 3g7i s LEU 26 N 1.95 4.33 -0.70 1.80 1.43 -1.26 -4.34 118.68 121.89 3g7i s LEU 26 Ca 0.14 0.83 -0.26 0.00 -1.03 0.00 0.00 54.13 53.81 3g7i s LEU 26 Cb -0.16 -2.63 0.04 0.00 0.03 0.00 0.00 46.19 43.47 3g7i s LEU 26 CO 0.10 0.11 1.20 0.21 0.23 0.00 0.00 176.35 178.20 3g7i s ASN 27 N 0.09 6.20 -0.03 2.29 2.47 0.20 -4.94 114.94 121.21 3g7i s ASN 27 Ca 0.24 -0.49 -0.30 0.00 0.42 0.00 0.00 52.86 52.74 3g7i s ASN 27 Cb -0.15 -2.53 -0.04 0.00 -1.45 0.00 0.00 41.25 37.08 3g7i s ASN 27 CO 0.11 -1.71 1.24 -0.76 -3.72 0.00 0.00 177.10 172.26 3g7i s LEU 28 N 5.30 4.30 -0.29 3.21 1.43 -1.26 -0.59 118.68 130.78 3g7i s LEU 28 Ca 0.33 1.90 0.02 0.00 -1.03 0.00 0.00 54.13 55.36 3g7i s LEU 28 Cb -0.10 -3.56 0.08 0.00 0.03 0.00 0.00 46.19 42.64 3g7i s LEU 28 CO 0.15 -0.60 -0.01 -0.54 0.23 0.00 0.00 176.35 175.59 3g7i s LYS 29 N 2.12 1.55 -0.01 1.70 -0.14 0.16 -4.91 119.74 120.23 3g7i s LYS 29 Ca 0.58 -1.38 -0.30 0.00 -1.36 0.00 0.00 55.97 53.51 3g7i s LYS 29 Cb -0.27 -2.77 -0.06 0.00 -1.68 0.00 0.00 37.83 33.04 3g7i s LYS 29 CO 0.24 -0.77 1.65 -0.51 -0.76 0.00 0.00 175.35 175.19 3g7i s LEU 30 N 1.20 4.34 -0.52 3.17 1.43 -1.26 -1.04 118.68 126.00 3g7i s LEU 30 Ca 0.02 2.32 0.04 0.00 -1.03 0.00 0.00 54.13 55.47 3g7i s LEU 30 Cb -0.19 -3.54 0.13 0.00 0.03 0.00 0.00 46.19 42.62 3g7i s LEU 30 CO -0.09 -0.90 0.26 -0.89 0.23 0.00 0.00 176.35 174.96 3g7i s THR 31 N 3.50 2.47 -0.24 5.49 2.01 -0.73 -4.89 115.64 123.25 3g7i s THR 31 Ca 0.73 -3.27 -0.29 0.00 0.31 0.00 0.00 61.69 59.18 3g7i s THR 31 Cb -0.35 -2.72 -0.01 0.00 0.01 0.00 0.00 72.50 69.42 3g7i s THR 31 CO 0.31 -0.81 1.44 0.20 -0.69 0.00 0.00 174.62 175.06 3g7i s ASN 32 N -0.26 6.58 -0.16 3.53 -0.87 -1.26 -4.72 114.94 117.79 3g7i s ASN 32 Ca 0.17 1.48 -0.26 0.00 -1.57 0.00 0.00 52.86 52.68 3g7i s ASN 32 Cb -0.25 -2.54 -0.24 0.00 -0.02 0.00 0.00 41.25 38.20 3g7i s ASN 32 CO -0.00 -1.11 0.58 -0.07 -2.57 0.00 0.00 177.10 173.93 3g7i h LEU 33 N 11.04 0.01 -1.79 0.60 3.38 -1.97 -2.23 115.31 124.36 3g7i h LEU 33 Ca -0.30 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 56.84 3g7i h LEU 33 Cb 1.12 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3g7i h LEU 33 CO 1.01 1.18 0.37 0.24 0.09 0.00 0.00 178.44 181.32 3g7i h MET 34 N -0.98 0.00 0.08 1.13 2.86 -2.05 0.77 114.93 116.74 3g7i h MET 34 Ca -0.12 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.18 3g7i h MET 34 Cb 1.12 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.75 3g7i h MET 34 CO -0.07 0.00 -1.88 0.00 1.06 0.00 0.00 176.91 176.02 3g7i h ALA 35 N 1.25 0.54 -1.49 6.32 0.00 -1.97 -3.50 119.26 120.42 3g7i h ALA 35 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 54.91 53.50 3g7i h ALA 35 Cb 0.73 0.62 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3g7i h ALA 35 CO 0.00 1.40 0.00 0.41 0.00 0.00 0.00 179.25 181.06 3g7i n GLY 36 N 1.83 0.26 1.31 0.00 0.00 0.27 -5.12 105.19 103.73 3g7i n GLY 36 Ca -0.26 -0.47 0.02 0.00 0.00 0.00 0.00 46.02 45.31 3g7i n GLY 36 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3g7i n GLU 37 N -0.49 3.04 -2.08 1.61 1.02 -1.05 -5.03 120.64 117.66 3g7i n GLU 37 Ca 0.00 -3.00 -0.02 0.00 -0.02 0.00 0.00 57.16 54.12 3g7i n GLU 37 Cb 0.24 -1.97 0.00 0.00 -0.02 0.00 0.00 31.44 29.69 3g7i n GLU 37 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3g7i n ASN 47 N -0.48 -4.71 -0.06 1.62 2.85 -1.26 -5.00 115.26 108.22 3g7i n ASN 47 Ca 0.30 0.41 0.00 0.00 -0.11 0.00 0.00 54.58 55.18 3g7i n ASN 47 Cb 1.08 -2.98 0.00 0.00 1.24 0.00 0.00 39.78 39.12 3g7i n ASN 47 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3g7i n PRO 48 N -0.11 0.77 -0.06 1.20 -0.04 -1.26 -2.00 135.00 133.50 3g7i n PRO 48 Ca 0.03 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.52 3g7i n PRO 48 Cb 0.12 -1.05 0.05 0.00 -0.04 0.00 0.00 33.50 32.59 3g7i n PRO 48 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3g7i n GLN 49 N -0.43 2.24 -4.13 0.54 7.27 -1.26 -4.99 117.38 116.63 3g7i n GLN 49 Ca 0.00 -1.53 -0.34 0.00 0.07 0.00 0.00 57.00 55.20 3g7i n GLN 49 Cb 0.02 -1.11 -0.06 0.00 2.41 0.00 0.00 30.24 31.51 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 -0.00 -1.38 -2.34 3.69 -0.00 -0.85 -4.90 115.22 109.45 3g7i n HIS 50 Ca 0.04 0.58 -0.42 0.00 -0.00 0.00 0.00 57.72 57.92 3g7i n HIS 50 Cb 0.28 -1.87 -0.03 0.00 -0.00 0.00 0.00 29.99 28.37 3g7i n HIS 50 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3g7i s ILE 52 N 0.90 3.75 0.43 0.00 -4.36 -1.26 -3.87 121.20 116.78 3g7i s ILE 52 Ca 0.60 -0.45 -0.18 0.00 -0.26 0.00 0.00 60.65 60.36 3g7i s ILE 52 Cb -0.32 -2.55 -0.09 0.00 1.25 0.00 0.00 42.46 40.74 3g7i s ILE 52 CO 0.31 0.58 0.90 -2.16 0.24 0.00 0.00 174.94 174.81 3g7i s PRO 53 N -0.58 4.06 -0.13 0.37 0.04 -1.26 -4.81 135.00 132.69 3g7i s PRO 53 Ca 0.09 0.92 0.03 0.00 0.04 0.00 0.00 61.00 62.08 3g7i s PRO 53 Cb -0.12 -2.24 0.01 0.00 0.04 0.00 0.00 34.50 32.19 3g7i s PRO 53 CO 0.02 -0.06 -0.22 0.99 0.04 0.00 0.00 177.00 177.77 3g7i s THR 54 N -2.29 1.99 -0.17 1.26 2.01 -0.67 -4.12 115.64 113.65 3g7i s THR 54 Ca 0.59 -0.95 -0.08 0.00 0.31 0.00 0.00 61.69 61.56 3g7i s THR 54 Cb -0.10 -1.76 -0.04 0.00 0.01 0.00 0.00 72.50 70.61 3g7i s THR 54 CO 0.21 0.54 0.10 -0.22 -0.69 0.00 0.00 174.62 174.56 3g7i s LEU 55 N 0.73 4.08 -0.24 4.42 2.96 0.17 -0.34 118.68 130.47 3g7i s LEU 55 Ca -0.10 0.23 0.03 0.00 -0.22 0.00 0.00 54.13 54.07 3g7i s LEU 55 Cb -0.16 -2.03 0.05 0.00 0.50 0.00 0.00 46.19 44.55 3g7i s LEU 55 CO 0.00 0.24 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.46 3g7i s VAL 56 N -0.02 2.13 0.73 1.68 1.01 -0.22 -0.67 120.40 125.05 3g7i s VAL 56 Ca 0.08 -1.47 -0.12 0.00 0.00 0.00 0.00 61.98 60.47 3g7i s VAL 56 Cb -0.12 -2.18 0.17 0.00 0.00 0.00 0.00 36.38 34.25 3g7i s VAL 56 CO 0.00 0.10 1.00 -0.90 0.00 0.00 0.00 175.10 175.30 3g7i n ASP 57 N 4.48 0.17 0.03 3.32 5.68 -0.38 -2.00 116.55 127.85 3g7i n ASP 57 Ca -0.16 -1.42 0.13 0.00 -0.50 0.00 0.00 54.79 52.85 3g7i n ASP 57 Cb 0.44 -0.75 0.59 0.00 -1.14 0.00 0.00 41.12 40.25 3g7i n ASP 57 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3g7i h GLU 58 N 0.00 0.19 -0.25 0.11 9.09 -1.99 -1.16 114.58 120.58 3g7i h GLU 58 Ca -0.32 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.08 3g7i h GLU 58 Cb 0.91 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 27.97 3g7i h GLU 58 CO 0.24 0.13 0.00 -0.25 0.05 0.00 0.00 179.01 179.17 3g7i n ASP 59 N -4.46 1.95 0.00 3.06 9.92 -1.26 -4.90 116.55 120.86 3g7i n ASP 59 Ca 0.06 -1.81 0.00 0.00 -0.53 0.00 0.00 54.79 52.51 3g7i n ASP 59 Cb 0.35 -0.16 0.00 0.00 -0.64 0.00 0.00 41.12 40.67 3g7i n ASP 59 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3g7i n GLY 60 N 1.16 0.50 3.68 0.44 0.00 -0.44 -5.01 105.19 105.52 3g7i n GLY 60 Ca 0.16 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.00 2.39 -0.23 1.61 5.36 -1.26 -4.77 117.98 119.09 3g7i s PHE 61 Ca 0.00 0.41 -0.09 0.00 -0.96 0.00 0.00 56.93 56.29 3g7i s PHE 61 Cb 0.00 -3.86 -0.04 0.00 -0.34 0.00 0.00 43.02 38.77 3g7i s PHE 61 CO 0.00 -3.46 0.12 0.08 -1.46 0.00 0.00 175.22 170.50 3g7i s VAL 62 N 3.07 5.05 -0.03 3.12 1.01 -1.26 -1.25 120.40 130.10 3g7i s VAL 62 Ca 0.71 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.78 3g7i s VAL 62 Cb -0.35 -3.34 0.01 0.00 0.00 0.00 0.00 36.38 32.70 3g7i s VAL 62 CO 0.30 0.38 -0.09 -0.22 0.00 0.00 0.00 175.10 175.46 3g7i s LEU 63 N 0.95 1.73 0.00 3.92 2.96 0.15 -5.00 118.68 123.39 3g7i s LEU 63 Ca 0.06 -0.19 0.03 0.00 -0.22 0.00 0.00 54.13 53.81 3g7i s LEU 63 Cb -0.13 -0.57 -0.01 0.00 0.50 0.00 0.00 46.19 45.97 3g7i s LEU 63 CO 0.03 0.05 0.12 -2.67 -1.32 0.00 0.00 176.35 172.56 3g7i n TRP 64 N 3.41 0.25 -1.64 5.38 2.14 -1.26 0.46 117.44 126.17 3g7i n TRP 64 Ca -0.19 -2.40 -0.01 0.00 2.07 0.00 0.00 57.50 56.97 3g7i n TRP 64 Cb 0.54 -0.04 -0.01 0.00 -0.81 0.00 0.00 31.31 30.98 3g7i n TRP 64 CO 0.00 0.00 0.00 -1.91 2.07 0.00 0.00 177.69 177.85 3g7i n GLU 65 N -0.89 -1.14 -0.36 -2.67 4.07 -1.26 -4.65 120.64 113.74 3g7i n GLU 65 Ca -0.07 1.23 0.09 0.00 -0.06 0.00 0.00 57.16 58.35 3g7i n GLU 65 Cb 0.57 -1.85 0.26 0.00 -0.06 0.00 0.00 31.44 30.36 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 0.99 0.88 -0.00 4.31 4.64 -1.87 -0.50 113.55 121.99 3g7i h SER 66 Ca -0.10 0.06 -0.17 0.00 -0.47 0.00 0.00 61.79 61.11 3g7i h SER 66 Cb 0.23 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3g7i h SER 66 CO 0.00 0.42 -0.60 0.03 -0.87 0.00 0.00 176.83 175.81 3g7i h ARG 67 N 0.92 0.60 -0.74 4.77 3.08 -1.92 0.12 114.38 121.21 3g7i h ARG 67 Ca 0.52 -0.41 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 3g7i h ARG 67 Cb 0.62 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.69 3g7i h ARG 67 CO -0.30 1.03 0.35 0.00 -1.07 0.00 0.00 179.97 179.97 3g7i h ALA 68 N 0.88 0.96 -0.37 0.04 0.00 -1.69 -2.73 119.26 116.35 3g7i h ALA 68 Ca -0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3g7i h ALA 68 Cb 1.17 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3g7i h ALA 68 CO 0.12 0.53 0.23 0.82 0.00 0.00 0.00 179.25 180.95 3g7i h ILE 69 N 1.05 1.12 -0.51 0.00 2.04 -0.84 -1.11 117.51 119.25 3g7i h ILE 69 Ca 0.26 -0.26 0.08 0.00 1.00 0.00 0.00 64.86 65.94 3g7i h ILE 69 Cb 0.13 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 36.76 3g7i h ILE 69 CO -0.03 0.12 0.15 1.56 0.00 0.00 0.00 178.15 179.94 3g7i h GLN 70 N 0.49 0.29 -0.37 2.37 4.20 -0.63 0.61 115.11 122.08 3g7i h GLN 70 Ca 0.14 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.78 3g7i h GLN 70 Cb -0.01 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3g7i h GLN 70 CO -0.03 0.19 0.04 0.82 -0.67 0.00 0.00 178.83 179.19 3g7i h ILE 71 N 0.30 1.25 -0.83 2.54 2.04 -1.33 -2.56 117.51 118.93 3g7i h ILE 71 Ca 0.25 -0.89 0.02 0.00 1.00 0.00 0.00 64.86 65.24 3g7i h ILE 71 Cb 0.31 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 3g7i h ILE 71 CO -0.29 0.30 0.54 0.22 0.00 0.00 0.00 178.15 178.92 3g7i h TYR 72 N 0.46 1.03 -0.65 1.37 3.20 -0.69 0.18 116.97 121.87 3g7i h TYR 72 Ca 0.11 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 3g7i h TYR 72 Cb 0.39 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 3g7i h TYR 72 CO 0.03 0.63 0.41 -0.07 -1.64 0.00 0.00 178.16 177.51 3g7i h LEU 73 N 1.09 0.77 0.13 2.82 3.38 -0.71 -0.50 115.31 122.29 3g7i h LEU 73 Ca 0.31 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 3g7i h LEU 73 Cb -0.08 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.48 3g7i h LEU 73 CO -0.08 0.59 -0.06 0.58 0.09 0.00 0.00 178.44 179.56 3g7i h VAL 74 N 0.88 1.03 -0.87 1.22 2.07 -1.01 0.48 116.25 120.05 3g7i h VAL 74 Ca 0.24 -0.73 0.01 0.00 0.82 0.00 0.00 66.70 67.04 3g7i h VAL 74 Cb -0.05 1.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 3g7i h VAL 74 CO -0.05 0.17 0.58 -0.33 0.02 0.00 0.00 177.57 177.96 3g7i h GLU 75 N -0.52 1.13 0.05 1.57 5.08 -0.89 -1.25 114.58 119.75 3g7i h GLU 75 Ca -0.02 -0.07 -0.36 0.00 -1.00 0.00 0.00 59.36 57.92 3g7i h GLU 75 Cb 0.41 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 3g7i h GLU 75 CO 0.03 0.75 -2.02 1.17 -1.00 0.00 0.00 179.01 177.94 3g7i n LYS 76 N -4.49 0.67 -0.00 2.33 4.81 -0.20 -4.27 118.16 117.00 3g7i n LYS 76 Ca 0.10 0.31 0.08 0.00 -0.87 0.00 0.00 58.31 57.93 3g7i n LYS 76 Cb 0.03 -1.65 -0.11 0.00 0.02 0.00 0.00 35.03 33.32 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 -3.75 0.00 0.05 5.64 4.02 0.12 -4.46 117.16 118.77 3g7i n TYR 77 Ca -0.38 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.58 3g7i n TYR 77 Cb 0.93 -0.13 -0.11 0.00 -0.02 0.00 0.00 39.34 40.02 3g7i n TYR 77 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3g7i n GLY 78 N 1.43 -0.62 0.00 2.72 0.00 -0.56 -4.68 105.19 103.49 3g7i n GLY 78 Ca 0.01 -0.34 0.08 0.00 0.00 0.00 0.00 46.02 45.78 3g7i n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g7i n ALA 79 N -1.94 1.84 -0.14 4.61 0.00 -0.71 -1.82 120.51 122.35 3g7i n ALA 79 Ca -0.02 -0.07 -0.07 0.00 0.00 0.00 0.00 53.44 53.28 3g7i n ALA 79 Cb 0.36 -1.28 0.09 0.00 0.00 0.00 0.00 19.45 18.62 3g7i n ALA 79 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 3g7i h HIS 80 N 0.00 0.98 -2.98 0.00 2.07 -1.86 -3.29 115.15 110.07 3g7i h HIS 80 Ca 0.00 -0.18 -0.73 0.00 -2.85 0.00 0.00 60.37 56.61 3g7i h HIS 80 Cb 0.24 -0.25 -0.21 0.00 2.57 0.00 0.00 27.41 29.76 3g7i h HIS 80 CO 0.00 0.92 0.48 0.34 -3.07 0.00 0.00 177.93 176.61 3g7i s ASP 81 N -6.66 6.62 0.36 3.10 3.68 -0.76 -4.92 116.67 118.09 3g7i s ASP 81 Ca -0.10 -2.19 0.03 0.00 2.13 0.00 0.00 52.55 52.41 3g7i s ASP 81 Cb 0.14 -2.32 0.66 0.00 -1.45 0.00 0.00 42.92 39.94 3g7i s ASP 81 CO 0.84 -0.90 2.02 0.00 0.13 0.00 0.00 175.17 177.25 3g7i h ALA 82 N 8.51 1.56 -0.20 3.66 0.00 -1.77 -1.53 119.26 129.49 3g7i h ALA 82 Ca 0.08 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 3g7i h ALA 82 Cb 1.04 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3g7i h ALA 82 CO 0.98 0.41 -0.39 -0.44 0.00 0.00 0.00 179.25 179.81 3g7i h ASP 83 N 0.83 0.47 -0.00 0.00 3.45 -1.91 -1.51 116.42 117.75 3g7i h ASP 83 Ca 0.22 -0.20 -0.00 0.00 0.43 0.00 0.00 57.03 57.49 3g7i h ASP 83 Cb -0.10 -0.13 -0.00 0.00 -0.56 0.00 0.00 39.33 38.54 3g7i h ASP 83 CO -0.05 0.81 -0.00 0.25 -1.57 0.00 0.00 179.24 178.68 3g7i h LEU 84 N 0.38 0.00 -1.01 1.55 7.12 -1.65 -1.78 115.31 119.93 3g7i h LEU 84 Ca 0.04 -0.49 0.05 0.00 0.13 0.00 0.00 57.88 57.61 3g7i h LEU 84 Cb 0.85 -0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 40.91 3g7i h LEU 84 CO 0.07 0.49 0.66 0.00 -0.13 0.00 0.00 178.44 179.53 3g7i h ALA 85 N 0.51 1.37 -0.68 1.25 0.00 -1.31 -1.14 119.26 119.26 3g7i h ALA 85 Ca 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3g7i h ALA 85 Cb 0.49 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3g7i h ALA 85 CO 0.00 0.50 0.18 1.49 0.00 0.00 0.00 179.25 181.42 3g7i h GLU 86 N 1.23 1.08 0.19 0.00 4.57 -1.26 0.14 114.58 120.53 3g7i h GLU 86 Ca 0.42 -0.25 -0.01 0.00 -1.18 0.00 0.00 59.36 58.34 3g7i h GLU 86 Cb 0.09 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 3g7i h GLU 86 CO -0.15 0.95 -0.09 0.00 -1.18 0.00 0.00 179.01 178.54 3g7i h ARG 87 N 1.01 -0.25 0.00 1.92 3.08 -0.62 -2.03 114.38 117.49 3g7i h ARG 87 Ca 0.22 0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.20 3g7i h ARG 87 Cb 0.35 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 3g7i h ARG 87 CO -0.00 -0.15 -0.39 -0.07 -1.07 0.00 0.00 179.97 178.28 3g7i h LEU 88 N -0.28 0.00 -5.17 3.04 3.38 -1.05 -3.39 115.31 111.84 3g7i h LEU 88 Ca -0.03 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.67 3g7i h LEU 88 Cb 0.21 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.78 3g7i h LEU 88 CO 0.04 0.39 -0.60 0.00 0.09 0.00 0.00 178.44 178.37 3g7i n TYR 89 N -3.80 -2.87 -1.64 1.13 9.36 0.47 -0.78 117.16 119.03 3g7i n TYR 89 Ca -0.01 -2.04 -0.42 0.00 3.32 0.00 0.00 57.90 58.75 3g7i n TYR 89 Cb 0.46 1.24 0.01 0.00 -0.63 0.00 0.00 39.34 40.42 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 1.67 1.59 0.07 2.98 -0.04 -0.77 -4.52 135.00 135.99 3g7i n PRO 90 Ca 0.11 0.57 0.11 0.00 -0.04 0.00 0.00 63.50 64.25 3g7i n PRO 90 Cb 0.61 -2.14 -0.05 0.00 -0.04 0.00 0.00 33.50 31.89 3g7i n PRO 90 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3g7i n SER 91 N 0.55 0.62 -4.68 3.54 3.41 -1.26 -3.71 113.62 112.09 3g7i n SER 91 Ca 0.08 0.24 -0.48 0.00 -0.26 0.00 0.00 58.87 58.45 3g7i n SER 91 Cb 0.38 0.87 -0.05 0.00 -0.26 0.00 0.00 64.21 65.15 3g7i n SER 91 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3g7i n ASP 92 N -2.57 3.19 -0.25 4.04 2.03 -1.26 -4.77 116.55 116.96 3g7i n ASP 92 Ca -0.01 1.02 0.06 0.00 0.52 0.00 0.00 54.79 56.37 3g7i n ASP 92 Cb 0.56 -1.36 0.17 0.00 -0.72 0.00 0.00 41.12 39.77 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 7.86 0.18 -0.37 -0.67 0.11 -1.98 0.25 132.00 137.37 3g7i h PRO 93 Ca -0.47 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3g7i h PRO 93 Cb 1.27 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 3g7i h PRO 93 CO 0.92 0.12 0.20 0.00 -0.21 0.00 0.00 178.00 179.03 3g7i h ARG 94 N 0.19 0.52 -0.32 1.05 3.08 -1.97 0.99 114.38 117.91 3g7i h ARG 94 Ca 0.42 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.36 3g7i h ARG 94 Cb 0.73 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 3g7i h ARG 94 CO -0.58 0.43 0.03 0.00 -1.07 0.00 0.00 179.97 178.78 3g7i h ARG 95 N 0.47 0.55 -0.50 0.04 2.47 -1.60 -2.61 114.38 113.20 3g7i h ARG 95 Ca 0.13 -0.16 -0.04 0.00 -1.26 0.00 0.00 59.98 58.65 3g7i h ARG 95 Cb 0.06 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.30 3g7i h ARG 95 CO -0.02 0.66 0.16 -0.09 0.56 0.00 0.00 179.97 181.23 3g7i h ARG 96 N 0.37 0.74 -0.86 0.04 2.43 -0.43 -2.68 114.38 113.99 3g7i h ARG 96 Ca 0.10 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3g7i h ARG 96 Cb 0.39 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 3g7i h ARG 96 CO 0.01 0.64 0.50 0.00 -1.51 0.00 0.00 179.97 179.61 3g7i h ALA 97 N 1.45 1.26 -0.51 2.80 0.00 -0.54 0.83 119.26 124.55 3g7i h ALA 97 Ca 0.17 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3g7i h ALA 97 Cb 0.21 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3g7i h ALA 97 CO -0.01 0.62 -0.04 0.28 0.00 0.00 0.00 179.25 180.09 3g7i h VAL 98 N 1.19 1.27 -0.19 0.00 2.07 -1.14 0.33 116.25 119.78 3g7i h VAL 98 Ca 0.31 -1.16 0.01 0.00 0.82 0.00 0.00 66.70 66.68 3g7i h VAL 98 Cb -0.02 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 3g7i h VAL 98 CO -0.05 0.41 0.10 0.58 0.02 0.00 0.00 177.57 178.62 3g7i h VAL 99 N 0.80 1.01 -0.42 2.57 2.07 -1.18 -1.27 116.25 119.82 3g7i h VAL 99 Ca 0.14 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.62 3g7i h VAL 99 Cb 0.58 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 3g7i h VAL 99 CO 0.03 0.04 0.21 0.45 0.02 0.00 0.00 177.57 178.32 3g7i h HIS 100 N 0.21 0.38 -0.92 1.57 3.86 -0.69 -1.42 115.15 118.14 3g7i h HIS 100 Ca 0.07 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 3g7i h HIS 100 Cb 0.00 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.32 3g7i h HIS 100 CO -0.08 0.20 0.53 0.37 0.86 0.00 0.00 177.93 179.80 3g7i h GLN 101 N 0.42 1.27 -0.50 2.45 -0.00 -0.62 -0.49 115.11 117.64 3g7i h GLN 101 Ca 0.18 -0.14 -0.07 0.00 -0.00 0.00 0.00 58.65 58.62 3g7i h GLN 101 Cb 0.09 -0.26 -0.02 0.00 0.00 0.00 0.00 27.48 27.29 3g7i h GLN 101 CO -0.13 0.91 0.03 0.00 0.00 0.00 0.00 178.83 179.65 3g7i h ARG 102 N 1.29 0.82 -0.20 1.69 2.47 -0.99 0.56 114.38 120.02 3g7i h ARG 102 Ca 0.33 -0.21 -0.01 0.00 -1.26 0.00 0.00 59.98 58.82 3g7i h ARG 102 Cb -0.01 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.21 3g7i h ARG 102 CO -0.06 0.81 0.07 -0.07 0.56 0.00 0.00 179.97 181.28 3g7i h LEU 103 N 0.77 0.29 -0.78 3.04 3.38 -0.69 0.22 115.31 121.55 3g7i h LEU 103 Ca 0.15 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3g7i h LEU 103 Cb 0.43 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 3g7i h LEU 103 CO 0.02 0.40 0.47 -0.26 0.09 0.00 0.00 178.44 179.16 3g7i h PHE 104 N 0.16 1.02 -0.38 1.13 -1.00 -0.94 -2.20 116.94 114.73 3g7i h PHE 104 Ca 0.07 -0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.87 3g7i h PHE 104 Cb 0.21 -0.33 -0.03 0.00 3.61 0.00 0.00 35.95 39.40 3g7i h PHE 104 CO -0.00 0.68 0.19 0.35 -1.61 0.00 0.00 178.31 177.92 3g7i h PHE 105 N 1.06 0.35 0.06 -0.55 3.57 -0.76 -0.32 116.94 120.35 3g7i h PHE 105 Ca 0.28 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.82 3g7i h PHE 105 Cb -0.05 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.55 3g7i h PHE 105 CO -0.01 0.19 -0.23 0.22 -2.23 0.00 0.00 178.31 176.25 3g7i h ASP 106 N 0.39 -0.67 -0.12 0.41 3.58 -0.68 0.19 116.42 119.52 3g7i h ASP 106 Ca 0.16 0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.67 3g7i h ASP 106 Cb 0.06 0.27 -0.00 0.00 1.72 0.00 0.00 39.33 41.37 3g7i h ASP 106 CO -0.11 -0.31 -0.01 1.62 -2.88 0.00 0.00 179.24 177.55 3g7i h VAL 107 N -0.40 1.27 0.00 2.25 3.04 -1.29 0.26 116.25 121.38 3g7i h VAL 107 Ca 0.04 -0.86 0.00 0.00 -1.01 0.00 0.00 66.70 64.87 3g7i h VAL 107 Cb 0.45 1.61 0.00 0.00 -2.01 0.00 0.00 31.29 31.34 3g7i h VAL 107 CO -0.17 0.25 -1.04 0.00 -1.01 0.00 0.00 177.57 175.60 3g7i n ALA 108 N -2.31 3.18 0.07 3.17 0.00 -0.14 -3.03 120.51 121.45 3g7i n ALA 108 Ca -0.06 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.01 3g7i n ALA 108 Cb 0.22 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 -2.10 0.77 0.09 0.00 0.31 0.25 -4.64 118.33 113.01 3g7i n VAL 109 Ca 0.01 0.26 -0.12 0.00 -0.01 0.00 0.00 64.34 64.48 3g7i n VAL 109 Cb 0.46 -1.20 -0.08 0.00 -0.91 0.00 0.00 33.84 32.11 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 -0.22 -0.13 7.52 5.85 -0.70 -1.78 115.31 125.84 3g7i h LEU 110 Ca 0.00 -0.30 -0.23 0.00 0.84 0.00 0.00 57.88 58.19 3g7i h LEU 110 Cb 0.00 0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.10 3g7i h LEU 110 CO 0.00 0.23 -0.85 0.22 -0.34 0.00 0.00 178.44 177.70 3g7i h TYR 111 N -0.73 1.03 -0.46 1.25 3.20 -0.69 -3.01 116.97 117.56 3g7i h TYR 111 Ca -0.03 -0.49 0.08 0.00 3.14 0.00 0.00 58.73 61.44 3g7i h TYR 111 Cb 0.50 -0.15 -0.07 0.00 1.54 0.00 0.00 36.73 38.56 3g7i h TYR 111 CO 0.06 1.32 0.05 0.37 -1.64 0.00 0.00 178.16 178.32 3g7i h GLN 112 N 0.49 0.17 -0.09 1.82 5.75 -1.59 -0.40 115.11 121.27 3g7i h GLN 112 Ca -0.07 -0.01 -0.15 0.00 -0.15 0.00 0.00 58.65 58.27 3g7i h GLN 112 Cb 1.48 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.98 3g7i h GLN 112 CO 0.17 0.11 -0.61 0.00 -2.65 0.00 0.00 178.83 175.86 3g7i h ARG 113 N 0.18 0.30 0.05 1.69 3.08 -1.42 -0.01 114.38 118.25 3g7i h ARG 113 Ca 0.23 -0.20 0.03 0.00 0.07 0.00 0.00 59.98 60.10 3g7i h ARG 113 Cb 0.31 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.34 3g7i h ARG 113 CO -0.33 0.81 -0.37 0.35 -1.07 0.00 0.00 179.97 179.36 3g7i h PHE 114 N 0.22 -1.04 -0.62 3.04 3.57 -1.31 -1.75 116.94 119.05 3g7i h PHE 114 Ca -0.01 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.53 3g7i h PHE 114 Cb 1.12 0.45 -0.03 0.00 2.79 0.00 0.00 35.95 40.28 3g7i h PHE 114 CO 0.03 -0.47 0.41 0.00 -2.23 0.00 0.00 178.31 176.05 3g7i h ALA 115 N 0.04 0.79 -0.41 2.41 0.00 -0.70 -0.11 119.26 121.28 3g7i h ALA 115 Ca 0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3g7i h ALA 115 Cb 0.62 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3g7i h ALA 115 CO -0.26 0.20 0.10 0.93 0.00 0.00 0.00 179.25 180.22 3g7i h GLU 116 N 0.83 0.61 0.02 0.00 5.08 -0.89 0.16 114.58 120.38 3g7i h GLU 116 Ca 0.23 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 3g7i h GLU 116 Cb -0.08 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.08 3g7i h GLU 116 CO -0.06 0.56 -0.32 -0.92 -1.00 0.00 0.00 179.01 177.27 3g7i h TYR 117 N 0.60 0.28 0.06 4.33 3.20 -0.96 -3.41 116.97 121.05 3g7i h TYR 117 Ca 0.14 -0.17 -0.32 0.00 3.14 0.00 0.00 58.73 61.52 3g7i h TYR 117 Cb 0.23 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 3g7i h TYR 117 CO 0.01 1.03 -1.82 1.88 -1.64 0.00 0.00 178.16 177.62 3g7i h TYR 118 N -0.55 0.23 -0.72 -3.82 -1.99 -0.93 -3.40 116.97 105.78 3g7i h TYR 118 Ca -0.05 -0.17 0.06 0.00 2.00 0.00 0.00 58.73 60.57 3g7i h TYR 118 Cb 1.13 -0.01 -0.06 0.00 2.00 0.00 0.00 36.73 39.80 3g7i h TYR 118 CO 0.20 1.35 0.42 1.88 -0.00 0.00 0.00 178.16 182.01 3g7i h TYR 119 N 0.03 0.77 0.00 4.88 -1.99 -0.88 -0.70 116.97 119.08 3g7i h TYR 119 Ca -0.34 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.41 3g7i h TYR 119 Cb 2.02 -0.24 -0.00 0.00 2.00 0.00 0.00 36.73 40.51 3g7i h TYR 119 CO 0.04 0.38 -0.00 -1.35 -0.00 0.00 0.00 178.16 177.23 3g7i h PRO 120 N 0.77 0.00 0.00 4.88 0.11 -1.78 0.25 132.00 136.23 3g7i h PRO 120 Ca 0.32 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.30 3g7i h PRO 120 Cb 0.17 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.26 3g7i h PRO 120 CO -0.17 0.00 -1.13 1.96 -0.21 0.00 0.00 178.00 178.45 3g7i h GLN 121 N 0.00 0.00 0.00 1.05 4.20 -1.36 0.20 115.11 119.20 3g7i h GLN 121 Ca -0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 3g7i h GLN 121 Cb 0.01 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 3g7i h GLN 121 CO 0.00 0.29 -1.48 0.44 -0.67 0.00 0.00 178.83 177.41 3g7i n ILE 122 N -2.94 0.01 -4.46 2.54 -5.35 -0.81 -4.43 119.36 103.90 3g7i n ILE 122 Ca -0.05 -0.24 -0.24 0.00 -0.27 0.00 0.00 62.75 61.94 3g7i n ILE 122 Cb 0.77 0.25 -0.10 0.00 -1.74 0.00 0.00 39.64 38.82 3g7i n ILE 122 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3g7i s PHE 123 N -2.72 2.37 0.00 4.28 2.99 0.82 -4.89 117.98 120.83 3g7i s PHE 123 Ca -0.04 -0.37 0.00 0.00 0.00 0.00 0.00 56.93 56.52 3g7i s PHE 123 Cb 0.07 -1.14 0.00 0.00 0.00 0.00 0.00 43.02 41.94 3g7i s PHE 123 CO 0.43 0.66 0.00 0.41 -0.00 0.00 0.00 175.22 176.72 3g7i n GLY 124 N -0.71 0.64 0.17 4.36 0.00 -1.26 -2.01 105.19 106.38 3g7i n GLY 124 Ca -0.05 0.54 0.06 0.00 0.00 0.00 0.00 46.02 46.57 3g7i n GLY 124 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3g7i h GLN 125 N 0.00 0.00 -5.86 1.61 1.08 -1.93 -3.49 115.11 106.52 3g7i h GLN 125 Ca 0.00 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.01 3g7i h GLN 125 Cb 0.00 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.44 3g7i h GLN 125 CO 0.00 0.30 -0.43 1.63 -0.95 0.00 0.00 178.83 179.38 3g7i n LYS 126 N -3.16 -1.41 -1.68 1.46 4.01 -0.85 -4.89 118.16 111.64 3g7i n LYS 126 Ca 0.02 1.19 -0.46 0.00 -0.51 0.00 0.00 58.31 58.55 3g7i n LYS 126 Cb 0.66 -4.56 -0.04 0.00 -0.51 0.00 0.00 35.03 30.58 3g7i n LYS 126 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 3g7i n VAL 127 N -2.21 0.22 0.27 -0.18 0.31 0.68 -4.87 118.33 112.55 3g7i n VAL 127 Ca -0.11 -0.04 0.17 0.00 -0.01 0.00 0.00 64.34 64.35 3g7i n VAL 127 Cb 0.57 -1.73 0.87 0.00 -0.91 0.00 0.00 33.84 32.64 3g7i n VAL 127 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3g7i h PRO 128 N 7.26 0.00 -4.05 5.55 0.13 -1.90 -3.40 132.00 135.60 3g7i h PRO 128 Ca -0.46 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.50 3g7i h PRO 128 Cb 1.25 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.18 3g7i h PRO 128 CO 0.92 0.00 -0.70 0.54 -0.23 0.00 0.00 178.00 178.53 3g7i s VAL 129 N -3.81 0.15 0.32 1.56 0.11 -1.26 -5.14 120.40 112.33 3g7i s VAL 129 Ca -0.03 -1.05 -0.27 0.00 -2.93 0.00 0.00 61.98 57.70 3g7i s VAL 129 Cb 0.10 -0.47 -0.09 0.00 -1.53 0.00 0.00 36.38 34.39 3g7i s VAL 129 CO 0.34 -0.57 1.01 -0.83 -3.33 0.00 0.00 175.10 171.72 3g7i s GLY 130 N -1.69 2.90 0.06 6.54 0.00 -1.26 -4.91 107.32 108.95 3g7i s GLY 130 Ca -0.12 0.67 -0.31 0.00 0.00 0.00 0.00 44.72 44.97 3g7i s GLY 130 CO -0.02 1.17 1.44 -0.35 0.00 0.00 0.00 173.10 175.34 3g7i s ASP 131 N -1.36 6.80 0.26 1.64 2.15 -1.26 -4.93 116.67 119.98 3g7i s ASP 131 Ca 0.49 2.26 -0.00 0.00 0.43 0.00 0.00 52.55 55.73 3g7i s ASP 131 Cb -0.24 -2.57 0.36 0.00 -0.30 0.00 0.00 42.92 40.17 3g7i s ASP 131 CO 0.30 -0.72 1.72 -0.65 -0.17 0.00 0.00 175.17 175.65 3g7i h PRO 132 N 7.49 0.63 -0.77 4.34 0.11 -1.98 -0.23 132.00 141.58 3g7i h PRO 132 Ca -0.40 -0.21 -0.04 0.00 0.11 0.00 0.00 66.00 65.45 3g7i h PRO 132 Cb 1.19 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 3g7i h PRO 132 CO 0.89 0.76 0.31 0.78 -0.21 0.00 0.00 178.00 180.54 3g7i h GLY 133 N 0.98 1.23 1.16 -0.55 0.00 -1.99 0.72 103.07 104.62 3g7i h GLY 133 Ca 0.09 -0.66 -0.14 0.00 0.00 0.00 0.00 47.33 46.62 3g7i h GLY 133 CO 0.04 0.62 -0.27 3.21 0.00 0.00 0.00 176.54 180.15 3g7i h ARG 134 N 1.11 0.94 0.12 4.80 2.47 -1.89 -1.39 114.38 120.53 3g7i h ARG 134 Ca 0.26 -0.43 -0.01 0.00 -1.26 0.00 0.00 59.98 58.54 3g7i h ARG 134 Cb 0.20 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.51 3g7i h ARG 134 CO -0.02 1.09 -0.06 1.25 0.56 0.00 0.00 179.97 182.79 3g7i h LEU 135 N 0.80 -0.14 -0.52 3.04 5.85 -0.83 0.31 115.31 123.82 3g7i h LEU 135 Ca 0.09 -0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.87 3g7i h LEU 135 Cb 0.84 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.83 3g7i h LEU 135 CO 0.07 -0.06 0.08 0.03 -0.34 0.00 0.00 178.44 178.23 3g7i h ARG 136 N -0.21 0.21 -0.60 1.25 3.08 -0.81 0.11 114.38 117.42 3g7i h ARG 136 Ca -0.02 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3g7i h ARG 136 Cb 0.16 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 3g7i h ARG 136 CO 0.03 0.14 0.37 1.03 -1.07 0.00 0.00 179.97 180.47 3g7i h SER 137 N 0.21 0.70 -0.69 7.04 0.87 -1.09 -0.38 113.55 120.22 3g7i h SER 137 Ca 0.26 -0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.75 3g7i h SER 137 Cb 0.37 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 3g7i h SER 137 CO -0.36 0.54 0.32 -0.03 -0.53 0.00 0.00 176.83 176.77 3g7i h MET 138 N 0.80 1.01 -0.30 2.24 1.85 -0.37 -2.31 114.93 117.85 3g7i h MET 138 Ca 0.22 -0.16 -0.10 0.00 -0.61 0.00 0.00 59.70 59.05 3g7i h MET 138 Cb -0.05 -0.18 -0.01 0.00 0.43 0.00 0.00 31.60 31.79 3g7i h MET 138 CO -0.04 0.80 -0.24 0.93 -0.40 0.00 0.00 176.91 177.96 3g7i h GLU 139 N 0.97 0.59 -0.89 0.39 5.08 -0.67 -2.26 114.58 117.80 3g7i h GLU 139 Ca 0.24 -0.23 0.07 0.00 -1.00 0.00 0.00 59.36 58.44 3g7i h GLU 139 Cb 0.14 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.30 3g7i h GLU 139 CO -0.03 0.79 0.58 0.37 -1.00 0.00 0.00 179.01 179.72 3g7i h GLN 140 N 0.52 0.95 -0.37 2.33 4.15 -0.79 0.19 115.11 122.09 3g7i h GLN 140 Ca 0.07 -0.06 -0.08 0.00 0.77 0.00 0.00 58.65 59.36 3g7i h GLN 140 Cb 0.69 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.16 3g7i h GLN 140 CO 0.05 0.63 -0.08 0.00 -1.93 0.00 0.00 178.83 177.50 3g7i h ALA 141 N 1.53 0.50 -0.82 3.38 0.00 -0.86 -1.00 119.26 121.99 3g7i h ALA 141 Ca 0.39 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3g7i h ALA 141 Cb 0.24 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3g7i h ALA 141 CO -0.15 0.35 0.41 -0.07 0.00 0.00 0.00 179.25 179.80 3g7i h LEU 142 N 0.50 1.05 -0.61 0.00 3.38 -1.13 -2.30 115.31 116.20 3g7i h LEU 142 Ca 0.09 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3g7i h LEU 142 Cb 0.59 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 3g7i h LEU 142 CO 0.04 0.87 0.19 -0.08 0.09 0.00 0.00 178.44 179.55 3g7i h GLU 143 N 1.16 0.94 -0.24 1.13 4.57 -0.69 -0.30 114.58 121.15 3g7i h GLU 143 Ca 0.28 -0.20 0.05 0.00 -1.18 0.00 0.00 59.36 58.31 3g7i h GLU 143 Cb 0.08 -0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 28.48 3g7i h GLU 143 CO -0.04 0.84 -0.09 0.74 -1.18 0.00 0.00 179.01 179.28 3g7i h PHE 144 N 0.87 -0.20 -0.53 0.92 0.05 -1.01 0.06 116.94 117.10 3g7i h PHE 144 Ca 0.20 0.02 -0.01 0.00 3.82 0.00 0.00 57.97 62.00 3g7i h PHE 144 Cb 0.28 0.12 -0.02 0.00 2.00 0.00 0.00 35.95 38.33 3g7i h PHE 144 CO 0.02 -0.14 0.28 1.25 -0.18 0.00 0.00 178.31 179.54 3g7i h LEU 145 N -0.04 0.67 -0.74 1.54 5.85 -1.11 0.82 115.31 122.30 3g7i h LEU 145 Ca 0.12 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.79 3g7i h LEU 145 Cb 0.22 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 3g7i h LEU 145 CO -0.27 0.58 0.45 -1.13 -0.34 0.00 0.00 178.44 177.73 3g7i h ASN 146 N 0.71 0.70 -0.21 1.25 -1.24 -0.83 -1.45 115.58 114.50 3g7i h ASN 146 Ca 0.18 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.20 3g7i h ASN 146 Cb 0.07 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 38.98 3g7i h ASN 146 CO -0.03 0.47 0.10 0.74 -1.29 0.00 0.00 177.43 177.42 3g7i h THR 147 N 0.84 1.14 -0.76 -3.57 2.02 -0.42 -2.54 112.91 109.62 3g7i h THR 147 Ca 0.31 -0.40 0.13 0.00 0.77 0.00 0.00 66.41 67.23 3g7i h THR 147 Cb 0.12 1.01 -0.05 0.00 -1.74 0.00 0.00 68.15 67.48 3g7i h THR 147 CO -0.15 0.13 0.50 -0.26 0.37 0.00 0.00 175.52 176.11 3g7i h PHE 148 N 0.22 0.58 -0.00 3.16 0.05 -0.46 -2.03 116.94 118.45 3g7i h PHE 148 Ca 0.07 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.88 3g7i h PHE 148 Cb 0.12 -0.18 0.00 0.00 2.00 0.00 0.00 35.95 37.89 3g7i h PHE 148 CO -0.02 0.24 -0.15 1.28 -0.18 0.00 0.00 178.31 179.47 3g7i n LEU 149 N -4.49 0.64 -4.63 1.54 4.77 -0.58 -4.72 117.00 109.53 3g7i n LEU 149 Ca 0.14 -0.07 -0.43 0.00 -0.03 0.00 0.00 56.01 55.62 3g7i n LEU 149 Cb 0.46 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.35 3g7i n LEU 149 CO 0.32 0.12 1.61 -0.70 -1.33 0.00 0.00 177.39 177.41 3g7i s GLU 150 N -2.48 3.67 0.00 3.23 2.56 -0.77 -1.59 118.70 123.32 3g7i s GLU 150 Ca 0.28 2.09 0.00 0.00 0.00 0.00 0.00 54.97 57.33 3g7i s GLU 150 Cb 0.20 -4.20 0.00 0.00 2.00 0.00 0.00 34.13 32.13 3g7i s GLU 150 CO 0.49 -1.48 0.00 0.41 -0.56 0.00 0.00 175.26 174.12 3g7i n GLY 151 N 5.01 0.42 3.18 -1.50 0.00 -1.26 -5.02 105.19 106.03 3g7i n GLY 151 Ca 0.23 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.46 1.53 0.16 1.61 0.41 -0.62 -5.04 118.70 116.30 3g7i s GLU 152 Ca 0.00 -0.67 -0.08 0.00 -0.41 0.00 0.00 54.97 53.82 3g7i s GLU 152 Cb 0.00 -1.47 0.02 0.00 -1.78 0.00 0.00 34.13 30.90 3g7i s GLU 152 CO 0.00 0.40 1.47 1.96 -0.49 0.00 0.00 175.26 178.60 3g7i h GLN 153 N 5.70 0.76 -5.38 1.61 4.20 -1.86 -3.46 115.11 116.69 3g7i h GLN 153 Ca -0.37 -0.45 -0.42 0.00 0.06 0.00 0.00 58.65 57.46 3g7i h GLN 153 Cb 1.15 0.04 -0.14 0.00 0.30 0.00 0.00 27.48 28.82 3g7i h GLN 153 CO 0.48 1.08 -0.71 0.71 -0.67 0.00 0.00 178.83 179.72 3g7i s TYR 154 N -4.16 1.65 0.46 2.96 1.51 -1.26 -4.85 117.35 113.65 3g7i s TYR 154 Ca -0.09 -0.69 0.19 0.00 -1.01 0.00 0.00 57.07 55.47 3g7i s TYR 154 Cb 0.11 -0.85 1.21 0.00 -0.11 0.00 0.00 41.96 42.32 3g7i s TYR 154 CO 0.87 0.23 2.05 -0.39 -1.11 0.00 0.00 175.55 177.19 3g7i h VAL 155 N 2.53 0.92 0.00 0.71 -1.51 -1.91 -2.46 116.25 114.53 3g7i h VAL 155 Ca -0.38 -0.51 0.00 0.00 -1.23 0.00 0.00 66.70 64.57 3g7i h VAL 155 Cb 1.22 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 31.67 3g7i h VAL 155 CO 0.64 0.14 -0.00 0.00 -1.23 0.00 0.00 177.57 177.11 3g7i n ALA 156 N -2.43 2.16 -0.14 5.19 0.00 -1.26 -4.83 120.51 119.20 3g7i n ALA 156 Ca -0.02 -2.04 0.00 0.00 0.00 0.00 0.00 53.44 51.38 3g7i n ALA 156 Cb 0.22 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.43 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 -1.10 -1.71 0.00 0.00 0.00 -0.93 -4.71 105.19 96.74 3g7i n GLY 157 Ca 0.10 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.79 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 1.02 0.21 -0.02 0.00 -1.26 -4.67 105.19 100.46 3g7i n GLY 158 Ca 0.00 -1.86 0.14 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.43 0.77 -3.85 1.61 8.00 -1.26 -4.62 116.55 116.77 3g7i n ASP 159 Ca 0.00 -0.90 -0.10 0.00 0.71 0.00 0.00 54.79 54.50 3g7i n ASP 159 Cb 0.00 -0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 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 -2.31 0.07 0.38 -2.24 1.11 -1.26 -5.09 116.67 107.32 3g7i s ASP 160 Ca 0.32 -0.50 -0.28 0.00 0.18 0.00 0.00 52.55 52.28 3g7i s ASP 160 Cb 0.20 0.31 -0.11 0.00 1.07 0.00 0.00 42.92 44.40 3g7i s ASP 160 CO 0.44 -0.63 1.46 -2.84 1.18 0.00 0.00 175.17 174.77 3g7i s PRO 161 N -3.15 4.10 0.53 8.23 0.02 -1.26 -4.94 135.00 138.53 3g7i s PRO 161 Ca -0.01 2.52 0.07 0.00 0.02 0.00 0.00 61.00 63.60 3g7i s PRO 161 Cb 0.02 -2.95 0.04 0.00 0.02 0.00 0.00 34.50 31.62 3g7i s PRO 161 CO -0.07 -0.52 0.47 0.95 -0.33 0.00 0.00 177.00 177.50 3g7i s THR 162 N -1.13 1.88 0.53 0.99 -4.23 -1.26 -4.23 115.64 108.18 3g7i s THR 162 Ca 0.53 -1.39 0.23 0.00 -1.18 0.00 0.00 61.69 59.89 3g7i s THR 162 Cb -0.45 -2.27 0.30 0.00 1.34 0.00 0.00 72.50 71.41 3g7i s THR 162 CO 0.61 0.00 2.16 0.16 -0.54 0.00 0.00 174.62 177.02 3g7i h ILE 163 N 0.69 0.75 -0.89 2.99 3.07 -1.26 -1.88 117.51 120.97 3g7i h ILE 163 Ca -0.36 -0.16 -0.01 0.00 1.55 0.00 0.00 64.86 65.88 3g7i h ILE 163 Cb 1.29 1.09 -0.04 0.00 -0.27 0.00 0.00 36.82 38.90 3g7i h ILE 163 CO 0.54 0.04 0.52 0.00 -1.05 0.00 0.00 178.15 178.21 3g7i h ALA 164 N 1.96 1.14 -1.00 0.16 0.00 -1.86 -0.99 119.26 118.67 3g7i h ALA 164 Ca -0.00 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3g7i h ALA 164 Cb 0.09 -0.36 -0.06 0.00 0.00 0.00 0.00 17.79 17.47 3g7i h ALA 164 CO 0.01 0.62 0.66 -0.44 0.00 0.00 0.00 179.25 180.09 3g7i h ASP 165 N 1.24 1.12 -0.35 0.00 3.32 -1.73 -1.54 116.42 118.47 3g7i h ASP 165 Ca 0.32 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.22 3g7i h ASP 165 Cb -0.02 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 3g7i h ASP 165 CO -0.06 0.78 -0.30 -0.07 -1.72 0.00 0.00 179.24 177.87 3g7i h LEU 166 N 1.30 0.86 -0.20 1.55 3.38 -1.34 0.23 115.31 121.10 3g7i h LEU 166 Ca 0.39 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3g7i h LEU 166 Cb -0.05 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 3g7i h LEU 166 CO -0.11 1.14 0.10 -1.28 0.09 0.00 0.00 178.44 178.38 3g7i h SER 167 N 0.60 0.26 0.16 -0.43 0.87 -1.08 -2.24 113.55 111.69 3g7i h SER 167 Ca 0.06 -0.12 -0.14 0.00 -1.23 0.00 0.00 61.79 60.36 3g7i h SER 167 Cb 0.88 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.76 3g7i h SER 167 CO 0.08 0.31 -0.51 0.40 -0.53 0.00 0.00 176.83 176.57 3g7i h ILE 168 N 0.20 1.33 -0.91 2.23 2.04 -1.25 -2.44 117.51 118.72 3g7i h ILE 168 Ca 0.07 -1.75 0.03 0.00 1.00 0.00 0.00 64.86 64.21 3g7i h ILE 168 Cb 0.11 1.78 -0.05 0.00 -0.74 0.00 0.00 36.82 37.92 3g7i h ILE 168 CO -0.01 0.53 0.59 0.25 0.00 0.00 0.00 178.15 179.52 3g7i h LEU 169 N 0.31 0.99 -0.55 1.44 5.85 -0.39 0.31 115.31 123.28 3g7i h LEU 169 Ca 0.01 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 3g7i h LEU 169 Cb 1.00 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 3g7i h LEU 169 CO 0.09 0.69 0.07 0.00 -0.34 0.00 0.00 178.44 178.95 3g7i h ALA 170 N 1.37 0.73 -0.26 1.25 0.00 -1.05 -1.53 119.26 119.77 3g7i h ALA 170 Ca 0.36 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3g7i h ALA 170 Cb -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3g7i h ALA 170 CO -0.11 0.49 0.06 1.15 0.00 0.00 0.00 179.25 180.84 3g7i h THR 171 N 0.80 1.21 -0.19 0.00 2.02 -0.96 -3.02 112.91 112.77 3g7i h THR 171 Ca 0.16 -0.70 -0.11 0.00 0.77 0.00 0.00 66.41 66.54 3g7i h THR 171 Cb 0.43 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 3g7i h THR 171 CO 0.01 0.23 -0.33 0.40 0.37 0.00 0.00 175.52 176.20 3g7i h ILE 172 N 0.25 1.28 0.00 3.11 1.08 -0.29 -0.84 117.51 122.10 3g7i h ILE 172 Ca 0.08 -1.40 -0.02 0.00 -0.39 0.00 0.00 64.86 63.13 3g7i h ILE 172 Cb 0.28 1.51 -0.00 0.00 -3.07 0.00 0.00 36.82 35.54 3g7i h ILE 172 CO 0.00 0.43 -0.11 0.00 -0.69 0.00 0.00 178.15 177.78 3g7i h ALA 173 N 1.30 1.39 0.04 1.87 0.00 -1.26 -1.27 119.26 121.33 3g7i h ALA 173 Ca 0.04 -0.10 -0.22 0.00 0.00 0.00 0.00 54.91 54.63 3g7i h ALA 173 Cb 0.76 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.55 3g7i h ALA 173 CO 0.06 0.14 -0.88 1.15 0.00 0.00 0.00 179.25 179.71 3g7i h THR 174 N 0.00 1.36 -0.71 0.00 2.02 -1.04 -2.52 112.91 112.02 3g7i h THR 174 Ca -0.00 -2.24 0.16 0.00 0.77 0.00 0.00 66.41 65.09 3g7i h THR 174 Cb 0.28 2.60 -0.11 0.00 -1.74 0.00 0.00 68.15 69.17 3g7i h THR 174 CO 0.01 0.67 0.08 1.88 0.37 0.00 0.00 175.52 178.54 3g7i h TYR 175 N 0.10 0.10 -0.05 3.16 -1.99 -0.93 -1.84 116.97 115.52 3g7i h TYR 175 Ca -0.12 0.05 -0.00 0.00 2.00 0.00 0.00 58.73 60.65 3g7i h TYR 175 Cb 1.58 0.07 -0.00 0.00 2.00 0.00 0.00 36.73 40.38 3g7i h TYR 175 CO 0.13 -0.15 0.02 1.49 -0.00 0.00 0.00 178.16 179.65 3g7i h GLU 176 N 0.18 0.07 0.00 4.88 4.81 -1.12 -2.59 114.58 120.81 3g7i h GLU 176 Ca 0.39 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.58 3g7i h GLU 176 Cb 0.67 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.03 3g7i h GLU 176 CO -0.56 0.16 -0.13 -0.39 -0.73 0.00 0.00 179.01 177.36 3g7i h VAL 177 N -0.03 0.39 0.00 0.32 -1.51 -1.31 -0.94 116.25 113.16 3g7i h VAL 177 Ca 0.02 -0.74 0.00 0.00 -1.23 0.00 0.00 66.70 64.75 3g7i h VAL 177 Cb 0.11 1.54 0.00 0.00 -2.13 0.00 0.00 31.29 30.80 3g7i h VAL 177 CO -0.00 0.12 0.00 0.00 -1.23 0.00 0.00 177.57 176.46 3g7i h ALA 178 N 1.87 1.00 0.00 5.19 0.00 -1.04 -3.44 119.26 122.84 3g7i h ALA 178 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3g7i h ALA 178 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3g7i h ALA 178 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 3g7i n GLY 179 N -0.18 0.84 3.72 0.00 0.00 -0.36 -5.06 105.19 104.15 3g7i n GLY 179 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.02 3.28 -0.99 1.61 5.04 -1.00 -4.95 117.35 118.33 3g7i s TYR 180 Ca 0.00 1.03 -0.23 0.00 -2.44 0.00 0.00 57.07 55.43 3g7i s TYR 180 Cb 0.00 -3.63 0.03 0.00 0.35 0.00 0.00 41.96 38.72 3g7i s TYR 180 CO 0.00 -2.15 1.51 0.34 -1.34 0.00 0.00 175.55 173.92 3g7i s ASP 181 N 1.07 6.28 0.57 4.32 -1.08 -1.26 -4.57 116.67 122.01 3g7i s ASP 181 Ca 0.63 -1.27 0.37 0.00 -0.52 0.00 0.00 52.55 51.75 3g7i s ASP 181 Cb -0.35 -2.57 1.72 0.00 -1.46 0.00 0.00 42.92 40.25 3g7i s ASP 181 CO 0.30 -1.71 2.10 -0.07 0.52 0.00 0.00 175.17 176.31 3g7i h LEU 182 N 13.55 0.00 -2.52 -1.34 3.38 -1.94 -2.55 115.31 123.90 3g7i h LEU 182 Ca 0.16 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.13 3g7i h LEU 182 Cb 1.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 3g7i h LEU 182 CO 1.39 0.00 0.15 0.03 0.09 0.00 0.00 178.44 180.10 3g7i h ARG 183 N 0.00 0.00 -0.00 1.13 2.47 -1.97 -0.40 114.38 115.60 3g7i h ARG 183 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3g7i h ARG 183 Cb 0.32 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.64 3g7i h ARG 183 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 179.97 180.53 3g7i h ARG 184 N 0.00 0.00 -3.58 0.04 3.08 -1.87 -3.35 114.38 108.70 3g7i h ARG 184 Ca 0.01 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.41 3g7i h ARG 184 Cb 0.31 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 29.96 3g7i h ARG 184 CO -0.00 0.00 -0.58 0.71 -1.07 0.00 0.00 179.97 179.03 3g7i s TYR 185 N -4.70 3.30 0.17 3.04 1.51 -0.16 -5.00 117.35 115.51 3g7i s TYR 185 Ca -0.05 -3.04 -0.16 0.00 -1.01 0.00 0.00 57.07 52.81 3g7i s TYR 185 Cb 0.15 -2.93 0.12 0.00 -0.11 0.00 0.00 41.96 39.20 3g7i s TYR 185 CO 0.57 -0.79 1.69 0.93 -1.11 0.00 0.00 175.55 176.83 3g7i h GLU 186 N 6.76 0.07 -0.67 -0.62 3.07 -1.78 -0.50 114.58 120.91 3g7i h GLU 186 Ca -0.06 -0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.74 3g7i h GLU 186 Cb 0.92 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.79 3g7i h GLU 186 CO 0.68 0.05 0.20 -0.91 -1.40 0.00 0.00 179.01 177.62 3g7i h ASN 187 N 0.07 0.96 -0.19 1.42 2.35 -1.93 -1.14 115.58 117.12 3g7i h ASN 187 Ca 0.20 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 3g7i h ASN 187 Cb 0.30 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3g7i h ASN 187 CO -0.37 0.90 0.04 0.58 -1.65 0.00 0.00 177.43 176.94 3g7i h VAL 188 N 0.99 1.21 -0.44 2.81 2.07 -1.54 -1.31 116.25 120.04 3g7i h VAL 188 Ca 0.22 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 3g7i h VAL 188 Cb 0.29 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3g7i h VAL 188 CO -0.01 0.21 0.22 -0.61 0.02 0.00 0.00 177.57 177.40 3g7i h GLN 189 N 0.12 0.63 -0.12 1.57 5.75 -1.00 0.84 115.11 122.89 3g7i h GLN 189 Ca 0.06 -0.09 -0.00 0.00 -0.15 0.00 0.00 58.65 58.47 3g7i h GLN 189 Cb 0.28 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 3g7i h GLN 189 CO 0.00 0.53 0.06 -0.09 -2.65 0.00 0.00 178.83 176.68 3g7i h ARG 190 N 0.57 0.17 -0.76 1.69 1.12 -1.14 -1.44 114.38 114.59 3g7i h ARG 190 Ca 0.15 -0.02 -0.02 0.00 -1.11 0.00 0.00 59.98 58.98 3g7i h ARG 190 Cb 0.10 -0.03 -0.04 0.00 -0.01 0.00 0.00 29.97 29.99 3g7i h ARG 190 CO -0.02 0.21 0.38 2.35 -3.11 0.00 0.00 179.97 179.78 3g7i h TRP 191 N 0.09 1.07 -0.37 2.20 7.01 -1.12 -1.78 115.95 123.05 3g7i h TRP 191 Ca 0.04 -0.04 -0.08 0.00 2.11 0.00 0.00 58.89 60.92 3g7i h TRP 191 Cb 0.09 -0.34 -0.01 0.00 -2.10 0.00 0.00 29.16 26.80 3g7i h TRP 191 CO -0.04 0.77 -0.09 -0.92 -2.79 0.00 0.00 178.44 175.38 3g7i h TYR 192 N 1.08 0.81 -0.06 2.65 3.20 -0.42 0.06 116.97 124.28 3g7i h TYR 192 Ca 0.27 -0.17 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 3g7i h TYR 192 Cb 0.09 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.16 3g7i h TYR 192 CO 0.01 0.86 0.02 0.93 -1.64 0.00 0.00 178.16 178.35 3g7i h GLU 193 N 0.52 0.09 -0.19 1.82 5.08 -1.21 -1.75 114.58 118.94 3g7i h GLU 193 Ca 0.09 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3g7i h GLU 193 Cb 0.60 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 3g7i h GLU 193 CO 0.04 0.23 0.06 -0.09 -1.00 0.00 0.00 179.01 178.25 3g7i h ARG 194 N -0.06 0.30 -0.40 2.33 9.65 -1.22 -2.10 114.38 122.88 3g7i h ARG 194 Ca 0.02 -0.06 -0.09 0.00 -1.10 0.00 0.00 59.98 58.74 3g7i h ARG 194 Cb 0.17 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.69 3g7i h ARG 194 CO -0.00 0.39 -0.12 1.15 2.80 0.00 0.00 179.97 184.19 3g7i h THR 195 N 0.14 1.28 0.00 0.20 2.02 -1.04 -2.48 112.91 113.02 3g7i h THR 195 Ca 0.06 -1.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.01 3g7i h THR 195 Cb 0.22 1.24 -0.00 0.00 -1.74 0.00 0.00 68.15 67.87 3g7i h THR 195 CO -0.00 0.41 -0.06 0.28 0.37 0.00 0.00 175.52 176.52 3g7i h SER 196 N 0.59 0.00 1.48 4.18 0.02 -1.25 -2.20 113.55 116.38 3g7i h SER 196 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3g7i h SER 196 Cb 0.65 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.19 3g7i h SER 196 CO 0.04 0.06 0.00 0.00 -1.14 0.00 0.00 176.83 175.79 3g7i h ALA 197 N 1.94 1.00 0.00 3.77 0.00 -0.90 -3.40 119.26 121.68 3g7i h ALA 197 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3g7i h ALA 197 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3g7i h ALA 197 CO 0.01 0.00 -0.73 0.44 0.00 0.00 0.00 179.25 178.97 3g7i n ILE 198 N -2.49 0.00 -3.06 0.00 -5.35 -0.89 -5.08 119.36 102.49 3g7i n ILE 198 Ca 0.05 0.00 -0.38 0.00 -0.27 0.00 0.00 62.75 62.15 3g7i n ILE 198 Cb 0.42 0.24 -0.06 0.00 -1.74 0.00 0.00 39.64 38.50 3g7i n ILE 198 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 3g7i s VAL 199 N -1.48 4.49 0.45 7.28 -7.23 -0.88 -5.03 120.40 118.00 3g7i s VAL 199 Ca 0.00 1.47 -0.25 0.00 -1.81 0.00 0.00 61.98 61.39 3g7i s VAL 199 Cb 0.00 -3.99 -0.09 0.00 0.56 0.00 0.00 36.38 32.86 3g7i s VAL 199 CO 0.00 0.39 1.43 -2.65 -0.31 0.00 0.00 175.10 173.96 3g7i n PRO 200 N 1.23 2.26 -1.11 4.82 -0.02 -1.26 -2.75 135.00 138.17 3g7i n PRO 200 Ca -0.05 0.80 -0.04 0.00 -2.02 0.00 0.00 63.50 62.20 3g7i n PRO 200 Cb 0.50 -2.62 -0.02 0.00 -0.02 0.00 0.00 33.50 31.34 3g7i n PRO 200 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g7i n GLY 201 N 0.58 0.64 0.31 -1.23 0.00 -1.26 -4.66 105.19 99.58 3g7i n GLY 201 Ca 0.05 -0.32 0.01 0.00 0.00 0.00 0.00 46.02 45.76 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 1.49 -0.64 4.61 0.00 -1.83 -2.34 119.26 120.54 3g7i h ALA 202 Ca -0.08 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.77 3g7i h ALA 202 Cb 0.46 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 3g7i h ALA 202 CO 0.12 0.41 0.38 0.38 0.00 0.00 0.00 179.25 180.54 3g7i h ASP 203 N 0.71 0.60 -0.71 0.00 3.04 -1.89 -0.26 116.42 117.91 3g7i h ASP 203 Ca 0.18 0.01 0.02 0.00 -3.24 0.00 0.00 57.03 54.00 3g7i h ASP 203 Cb 0.06 -0.11 -0.04 0.00 -1.04 0.00 0.00 39.33 38.19 3g7i h ASP 203 CO -0.03 0.41 0.46 0.11 -2.04 0.00 0.00 179.24 178.15 3g7i h LYS 204 N 0.73 0.89 0.17 4.15 1.79 -1.86 -0.83 116.57 121.60 3g7i h LYS 204 Ca 0.27 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.68 3g7i h LYS 204 Cb 0.08 -0.20 -0.00 0.00 -1.58 0.00 0.00 32.23 30.53 3g7i h LYS 204 CO -0.13 0.59 -0.10 -0.97 -1.08 0.00 0.00 179.45 177.76 3g7i h ASN 205 N 0.91 -0.25 -0.22 0.86 -1.24 -0.86 0.26 115.58 115.05 3g7i h ASN 205 Ca 0.28 0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.29 3g7i h ASN 205 Cb -0.04 0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.08 3g7i h ASN 205 CO -0.09 -0.16 0.10 -0.37 -1.29 0.00 0.00 177.43 175.62 3g7i h VAL 206 N -0.26 1.15 -0.11 2.57 -1.51 -0.94 0.10 116.25 117.26 3g7i h VAL 206 Ca -0.02 -0.45 0.04 0.00 -1.23 0.00 0.00 66.70 65.04 3g7i h VAL 206 Cb 0.21 1.05 -0.04 0.00 -2.13 0.00 0.00 31.29 30.38 3g7i h VAL 206 CO 0.02 0.15 -0.13 -0.08 -1.23 0.00 0.00 177.57 176.30 3g7i h GLU 207 N 0.21 -0.15 -0.67 5.19 4.81 -1.15 -1.97 114.58 120.84 3g7i h GLU 207 Ca 0.07 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 3g7i h GLU 207 Cb 0.15 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 3g7i h GLU 207 CO -0.01 -0.10 0.23 0.78 -0.73 0.00 0.00 179.01 179.17 3g7i h GLY 208 N -0.16 1.11 1.06 1.92 0.00 -0.86 -2.96 103.07 103.18 3g7i h GLY 208 Ca 0.08 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 3g7i h GLY 208 CO -0.21 0.60 0.55 0.00 0.00 0.00 0.00 176.54 177.49 3g7i h ALA 209 N 1.10 1.24 -0.77 3.60 0.00 -0.74 -1.70 119.26 121.98 3g7i h ALA 209 Ca 0.22 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.11 3g7i h ALA 209 Cb 0.28 -0.37 -0.07 0.00 0.00 0.00 0.00 17.79 17.63 3g7i h ALA 209 CO -0.01 0.65 0.43 0.87 0.00 0.00 0.00 179.25 181.19 3g7i h LYS 210 N 1.27 0.74 -0.58 0.00 1.57 -1.25 -1.95 116.57 116.35 3g7i h LYS 210 Ca 0.33 -0.04 0.06 0.00 -1.87 0.00 0.00 60.65 59.12 3g7i h LYS 210 Cb -0.05 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.04 3g7i h LYS 210 CO -0.06 0.49 0.29 0.28 -0.57 0.00 0.00 179.45 179.88 3g7i h VAL 211 N 0.76 0.92 0.00 0.50 2.07 -1.16 -0.98 116.25 118.35 3g7i h VAL 211 Ca 0.36 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.69 3g7i h VAL 211 Cb 0.29 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 3g7i h VAL 211 CO -0.22 0.10 -0.03 0.15 0.02 0.00 0.00 177.57 177.59 3g7i h PHE 212 N 0.54 0.00 0.00 1.57 3.57 -1.06 -1.30 116.94 120.26 3g7i h PHE 212 Ca 0.27 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.77 3g7i h PHE 212 Cb 0.20 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.94 3g7i h PHE 212 CO -0.11 0.03 0.02 0.41 -2.23 0.00 0.00 178.31 176.43 3g7i n GLY 213 N -1.11 -0.58 0.28 2.40 0.00 -0.37 -2.30 105.19 103.50 3g7i n GLY 213 Ca -0.03 0.05 0.15 0.00 0.00 0.00 0.00 46.02 46.20 3g7i n GLY 213 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3g7i h ARG 214 N 0.00 0.00 0.00 1.61 0.11 -1.34 -0.79 114.38 113.97 3g7i h ARG 214 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3g7i h ARG 214 Cb 0.04 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.12 3g7i h ARG 214 CO 0.00 0.08 -0.14 0.66 0.10 0.00 0.00 179.97 180.68 3g7i n TYR 215 N -3.47 0.30 -3.39 4.08 4.01 -0.97 -4.30 117.16 113.42 3g7i n TYR 215 Ca -0.02 0.09 -0.31 0.00 -0.16 0.00 0.00 57.90 57.50 3g7i n TYR 215 Cb 0.23 -0.60 -0.06 0.00 -0.31 0.00 0.00 39.34 38.60 3g7i n TYR 215 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3g7i n PHE 216 N -1.76 3.39 0.25 -0.72 3.01 -0.30 -4.83 117.46 116.50 3g7i n PHE 216 Ca 0.06 -3.84 0.03 0.00 1.01 0.00 0.00 57.45 54.71 3g7i n PHE 216 Cb 0.37 -0.76 0.03 0.00 -0.01 0.00 0.00 39.48 39.11 3g7i n PHE 216 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02