#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4a n MET 1 N 0.00 0.00 -3.68 -0.41 0.00 -1.26 -4.77 117.12 107.00 3g4a n MET 1 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 57.70 57.51 3g4a n MET 1 Cb 0.00 -1.13 -0.17 0.00 0.00 0.00 0.00 33.22 31.92 3g4a n MET 1 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 3g4a s LYS 2 N 3.34 -0.05 -0.10 0.03 2.20 -1.26 -0.96 119.74 122.93 3g4a s LYS 2 Ca 0.84 0.39 0.03 0.00 -0.36 0.00 0.00 55.97 56.87 3g4a s LYS 2 Cb -1.13 -0.44 -0.01 0.00 -1.51 0.00 0.00 37.83 34.74 3g4a s LYS 2 CO 0.56 -0.31 -0.19 0.42 -0.36 0.00 0.00 175.35 175.47 3g4a s ILE 3 N 2.07 2.54 0.04 5.43 1.01 0.21 -4.98 121.20 127.51 3g4a s ILE 3 Ca 0.03 -0.86 -0.21 0.00 0.00 0.00 0.00 60.65 59.61 3g4a s ILE 3 Cb -0.12 -2.01 -0.06 0.00 0.01 0.00 0.00 42.46 40.28 3g4a s ILE 3 CO -0.04 0.55 0.62 -1.81 0.00 0.00 0.00 174.94 174.26 3g4a s ASP 4 N 0.20 7.06 -0.00 3.58 1.01 -1.26 -1.10 116.67 126.16 3g4a s ASP 4 Ca -0.12 1.26 0.03 0.00 0.71 0.00 0.00 52.55 54.43 3g4a s ASP 4 Cb -0.16 -2.38 -0.01 0.00 1.01 0.00 0.00 42.92 41.38 3g4a s ASP 4 CO 0.06 0.16 -0.08 -0.63 0.21 0.00 0.00 175.17 174.89 3g4a s ILE 5 N -0.55 0.64 0.00 0.77 -1.09 -0.60 -4.94 121.20 115.43 3g4a s ILE 5 Ca 0.32 -0.41 0.00 0.00 -2.23 0.00 0.00 60.65 58.32 3g4a s ILE 5 Cb -0.19 -0.55 0.00 0.00 -1.58 0.00 0.00 42.46 40.14 3g4a s ILE 5 CO 0.19 0.13 0.00 0.18 -1.23 0.00 0.00 174.94 174.21 3g4a n LEU 6 N 2.75 0.00 0.03 2.97 4.77 -1.26 0.49 117.00 126.75 3g4a n LEU 6 Ca -0.14 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.71 3g4a n LEU 6 Cb 0.57 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.52 3g4a n LEU 6 CO 0.25 0.00 -0.37 -2.24 -1.33 0.00 0.00 177.39 173.70 3g4a h ASP 7 N 7.11 0.22 0.00 -1.43 2.03 -1.94 -3.40 116.42 119.01 3g4a h ASP 7 Ca 0.00 -0.34 0.00 0.00 -0.73 0.00 0.00 57.03 55.96 3g4a h ASP 7 Cb 0.00 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 38.43 3g4a h ASP 7 CO 0.00 1.29 0.00 0.29 -1.03 0.00 0.00 179.24 179.79 3g4a n LYS 8 N -3.32 0.44 -2.24 4.15 5.02 -1.26 -5.11 118.16 115.84 3g4a n LYS 8 Ca -0.16 -0.58 -0.27 0.00 -2.02 0.00 0.00 58.31 55.29 3g4a n LYS 8 Cb 1.03 -0.72 0.05 0.00 -0.02 0.00 0.00 35.03 35.38 3g4a n LYS 8 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3g4a s GLY 9 N -0.22 1.65 0.22 0.72 0.00 0.18 -4.93 107.32 104.94 3g4a s GLY 9 Ca 0.00 -0.77 -0.22 0.00 0.00 0.00 0.00 44.72 43.73 3g4a s GLY 9 CO 0.00 -0.42 0.68 -0.11 0.00 0.00 0.00 173.10 173.25 3g4a s PHE 10 N -3.16 -0.34 -0.07 1.90 -0.12 -0.70 -1.56 117.98 113.93 3g4a s PHE 10 Ca 0.57 -0.01 0.00 0.00 -0.05 0.00 0.00 56.93 57.45 3g4a s PHE 10 Cb -0.11 0.64 0.02 0.00 -0.63 0.00 0.00 43.02 42.95 3g4a s PHE 10 CO 0.46 -1.05 -0.05 0.08 -0.05 0.00 0.00 175.22 174.60 3g4a s VAL 11 N -3.82 0.73 -0.06 -2.49 1.01 -0.26 -0.96 120.40 114.56 3g4a s VAL 11 Ca 0.07 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 61.91 3g4a s VAL 11 Cb -0.04 -0.76 0.01 0.00 0.00 0.00 0.00 36.38 35.59 3g4a s VAL 11 CO -0.02 0.29 -0.14 -0.70 0.00 0.00 0.00 175.10 174.53 3g4a s GLU 12 N 1.34 1.76 -0.29 2.72 2.12 0.44 -0.62 118.70 126.17 3g4a s GLU 12 Ca -0.03 -0.49 -0.29 0.00 0.36 0.00 0.00 54.97 54.52 3g4a s GLU 12 Cb -0.14 -1.47 0.01 0.00 0.26 0.00 0.00 34.13 32.80 3g4a s GLU 12 CO -0.03 0.10 1.04 -1.17 -0.54 0.00 0.00 175.26 174.66 3g4a s LEU 13 N 0.44 4.00 -0.14 2.70 2.96 -0.13 0.23 118.68 128.74 3g4a s LEU 13 Ca -0.11 1.13 -0.20 0.00 -0.22 0.00 0.00 54.13 54.72 3g4a s LEU 13 Cb -0.14 -3.50 -0.25 0.00 0.50 0.00 0.00 46.19 42.79 3g4a s LEU 13 CO 0.03 -0.79 0.53 0.58 -1.32 0.00 0.00 176.35 175.38 3g4a h VAL 14 N 5.63 1.18 -3.29 1.68 2.07 -1.12 -3.39 116.25 119.01 3g4a h VAL 14 Ca -0.20 -2.34 -0.04 0.00 0.82 0.00 0.00 66.70 64.94 3g4a h VAL 14 Cb 1.06 2.75 -0.12 0.00 -1.52 0.00 0.00 31.29 33.46 3g4a h VAL 14 CO 1.00 0.58 0.01 -0.62 0.02 0.00 0.00 177.57 178.57 3g4a s ASP 15 N -6.82 -0.32 -0.08 0.57 -1.08 -0.96 -5.00 116.67 102.99 3g4a s ASP 15 Ca -0.22 -0.27 -0.07 0.00 -0.52 0.00 0.00 52.55 51.47 3g4a s ASP 15 Cb 0.03 0.52 0.02 0.00 -1.46 0.00 0.00 42.92 42.03 3g4a s ASP 15 CO 0.71 -0.91 0.20 -0.69 0.52 0.00 0.00 175.17 175.00 3g4a s VAL 16 N -3.80 0.00 -0.21 1.11 1.01 -1.26 -1.32 120.40 115.92 3g4a s VAL 16 Ca 0.03 -0.00 -0.05 0.00 0.00 0.00 0.00 61.98 61.97 3g4a s VAL 16 Cb 0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 36.08 3g4a s VAL 16 CO -0.11 -0.00 -0.02 -0.32 0.00 0.00 0.00 175.10 174.65 3g4a s MET 17 N 0.10 3.50 0.15 2.72 1.75 0.12 -4.99 119.30 122.65 3g4a s MET 17 Ca -0.00 -0.57 0.00 0.00 -1.25 0.00 0.00 55.69 53.87 3g4a s MET 17 Cb -0.01 -3.06 0.00 0.00 2.84 0.00 0.00 34.83 34.60 3g4a s MET 17 CO 0.00 -0.11 0.00 0.41 -0.65 0.00 0.00 175.02 174.67 3g4a n GLY 18 N 4.58 -2.90 0.00 2.11 0.00 -1.26 -1.92 105.19 105.80 3g4a n GLY 18 Ca -0.18 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 43.98 3g4a n GLY 18 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3g4a n ASN 19 N -0.09 0.00 -0.29 1.61 0.23 -1.26 -4.92 115.26 110.54 3g4a n ASN 19 Ca 0.00 -0.80 0.20 0.00 -0.53 0.00 0.00 54.58 53.45 3g4a n ASN 19 Cb 0.00 0.00 0.49 0.00 -2.08 0.00 0.00 39.78 38.19 3g4a n ASN 19 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3g4a h ASP 20 N 0.00 0.47 1.22 0.53 3.32 -1.92 -1.27 116.42 118.77 3g4a h ASP 20 Ca 0.00 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3g4a h ASP 20 Cb 0.00 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3g4a h ASP 20 CO 0.00 0.15 0.00 -0.07 -1.72 0.00 0.00 179.24 177.60 3g4a h LEU 21 N 0.44 0.00 -0.85 1.55 3.38 -1.98 -2.34 115.31 115.51 3g4a h LEU 21 Ca 0.54 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.43 3g4a h LEU 21 Cb 1.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 3g4a h LEU 21 CO -0.25 0.00 0.07 0.28 0.09 0.00 0.00 178.44 178.63 3g4a h SER 22 N 0.00 0.89 -0.41 -0.43 0.02 -1.61 -0.99 113.55 111.02 3g4a h SER 22 Ca 0.00 -0.20 -0.09 0.00 -0.84 0.00 0.00 61.79 60.66 3g4a h SER 22 Cb 0.61 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 3g4a h SER 22 CO 0.00 0.91 -0.10 0.00 -1.14 0.00 0.00 176.83 176.50 3g4a h ALA 23 N 1.20 0.56 -0.29 3.77 0.00 -1.51 -2.49 119.26 120.50 3g4a h ALA 23 Ca 0.18 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3g4a h ALA 23 Cb 0.42 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3g4a h ALA 23 CO 0.01 0.44 0.15 0.28 0.00 0.00 0.00 179.25 180.13 3g4a h VAL 24 N 0.61 1.14 -0.28 0.00 2.07 -1.32 -0.86 116.25 117.60 3g4a h VAL 24 Ca 0.10 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 3g4a h VAL 24 Cb 0.62 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3g4a h VAL 24 CO 0.04 0.14 0.15 -0.09 0.02 0.00 0.00 177.57 177.83 3g4a h ARG 25 N 0.35 0.40 -0.79 1.57 2.43 -1.22 -1.08 114.38 116.05 3g4a h ARG 25 Ca 0.10 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3g4a h ARG 25 Cb 0.08 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 3g4a h ARG 25 CO -0.02 0.35 0.50 0.00 -1.51 0.00 0.00 179.97 179.29 3g4a h ALA 26 N 1.03 1.00 -0.37 2.80 0.00 -1.37 -2.97 119.26 119.38 3g4a h ALA 26 Ca 0.10 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 3g4a h ALA 26 Cb 0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3g4a h ALA 26 CO -0.02 0.45 -0.35 0.00 0.00 0.00 0.00 179.25 179.32 3g4a h ALA 27 N 1.27 0.66 0.00 0.00 0.00 -0.88 -3.26 119.26 117.05 3g4a h ALA 27 Ca 0.29 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3g4a h ALA 27 Cb -0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3g4a h ALA 27 CO -0.06 0.67 -0.26 0.00 0.00 0.00 0.00 179.25 179.61 3g4a h ARG 28 N 0.72 0.00 -0.65 0.00 2.47 -1.05 -2.74 114.38 113.12 3g4a h ARG 28 Ca 0.07 0.00 0.16 0.00 -1.26 0.00 0.00 59.98 58.95 3g4a h ARG 28 Cb 0.93 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.21 3g4a h ARG 28 CO 0.09 0.26 0.45 -0.24 0.56 0.00 0.00 179.97 181.09 3g4a h VAL 29 N 0.00 0.75 -0.99 2.04 3.04 -1.36 -1.13 116.25 118.60 3g4a h VAL 29 Ca -0.00 -0.06 0.20 0.00 -1.01 0.00 0.00 66.70 65.83 3g4a h VAL 29 Cb 0.49 0.55 -0.10 0.00 -2.01 0.00 0.00 31.29 30.21 3g4a h VAL 29 CO 0.03 0.03 0.62 0.28 -1.01 0.00 0.00 177.57 177.52 3g4a h SER 30 N 0.19 0.69 -0.66 3.17 0.02 -1.69 -0.96 113.55 114.31 3g4a h SER 30 Ca 0.32 0.09 -0.12 0.00 -0.84 0.00 0.00 61.79 61.24 3g4a h SER 30 Cb 0.98 -0.03 -0.07 0.00 0.14 0.00 0.00 62.40 63.42 3g4a h SER 30 CO -0.06 0.23 0.15 0.49 -1.14 0.00 0.00 176.83 176.51 3g4a n PHE 31 N -4.72 2.28 -2.84 3.45 3.72 -0.50 -4.92 117.46 113.92 3g4a n PHE 31 Ca 0.23 -1.00 -0.20 0.00 -0.05 0.00 0.00 57.45 56.44 3g4a n PHE 31 Cb 0.63 -0.61 0.01 0.00 -0.94 0.00 0.00 39.48 38.57 3g4a n PHE 31 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3g4a n ASP 32 N 0.17 -4.99 -4.53 4.37 -0.08 -0.37 -4.97 116.55 106.16 3g4a n ASP 32 Ca 0.35 -0.14 -0.25 0.00 -1.51 0.00 0.00 54.79 53.24 3g4a n ASP 32 Cb 1.30 -4.11 -0.11 0.00 2.34 0.00 0.00 41.12 40.54 3g4a n ASP 32 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 3g4a s MET 33 N -5.49 1.79 0.00 -0.67 -1.94 -0.75 -4.99 119.30 107.25 3g4a s MET 33 Ca 0.20 -1.97 0.00 0.00 -1.71 0.00 0.00 55.69 52.20 3g4a s MET 33 Cb -0.09 -1.40 0.00 0.00 2.01 0.00 0.00 34.83 35.35 3g4a s MET 33 CO 0.24 -0.02 0.00 0.41 -0.01 0.00 0.00 175.02 175.64 3g4a n GLY 34 N -0.80 5.27 3.79 -0.03 0.00 -1.26 -2.56 105.19 109.60 3g4a n GLY 34 Ca -0.04 -1.34 -0.34 0.00 0.00 0.00 0.00 46.02 44.30 3g4a n GLY 34 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g4a s LEU 35 N 0.00 3.81 0.00 0.99 1.43 -1.26 -4.83 118.68 118.81 3g4a s LEU 35 Ca 0.00 1.99 0.00 0.00 -1.03 0.00 0.00 54.13 55.09 3g4a s LEU 35 Cb 0.00 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.66 3g4a s LEU 35 CO 0.00 -0.91 0.00 0.29 0.23 0.00 0.00 176.35 175.96 3g4a n LYS 36 N -1.09 0.00 -3.03 1.70 4.01 -1.26 -5.14 118.16 113.36 3g4a n LYS 36 Ca 0.10 0.00 -0.22 0.00 -0.51 0.00 0.00 58.31 57.68 3g4a n LYS 36 Cb 0.52 0.00 0.01 0.00 -0.51 0.00 0.00 35.03 35.05 3g4a n LYS 36 CO 0.00 0.00 0.00 0.16 -1.11 0.00 0.00 177.40 176.45 3g4a s ASP 37 N 1.00 5.82 0.24 4.39 1.47 -1.26 -4.92 116.67 123.41 3g4a s ASP 37 Ca 0.00 0.21 -0.04 0.00 1.18 0.00 0.00 52.55 53.89 3g4a s ASP 37 Cb 0.00 -1.45 0.40 0.00 -0.34 0.00 0.00 42.92 41.52 3g4a s ASP 37 CO 0.00 -0.69 1.81 1.05 0.68 0.00 0.00 175.17 178.01 3g4a h GLU 38 N 0.44 0.75 -0.42 2.11 9.09 -2.01 -0.04 114.58 124.49 3g4a h GLU 38 Ca -0.46 -0.04 -0.09 0.00 0.05 0.00 0.00 59.36 58.82 3g4a h GLU 38 Cb 1.26 -0.17 -0.01 0.00 -1.65 0.00 0.00 28.75 28.17 3g4a h GLU 38 CO 0.56 0.49 -0.09 1.05 0.05 0.00 0.00 179.01 181.08 3g4a h GLU 39 N 0.77 0.80 -0.02 1.06 9.09 -1.99 -1.15 114.58 123.14 3g4a h GLU 39 Ca 0.40 -0.30 -0.21 0.00 0.05 0.00 0.00 59.36 59.29 3g4a h GLU 39 Cb 0.38 -0.05 -0.00 0.00 -1.65 0.00 0.00 28.75 27.43 3g4a h GLU 39 CO -0.25 0.92 -0.88 0.00 0.05 0.00 0.00 179.01 178.85 3g4a h ARG 40 N 0.63 0.38 -0.12 1.06 2.47 -1.90 -2.51 114.38 114.39 3g4a h ARG 40 Ca 0.11 -0.38 -0.04 0.00 -1.26 0.00 0.00 59.98 58.40 3g4a h ARG 40 Cb 0.61 0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 29.03 3g4a h ARG 40 CO 0.04 1.05 -0.10 -0.44 0.56 0.00 0.00 179.97 181.08 3g4a h ASP 41 N 0.23 0.29 -0.78 7.04 5.19 -0.97 -0.56 116.42 126.85 3g4a h ASP 41 Ca -0.06 -0.47 0.00 0.00 -0.62 0.00 0.00 57.03 55.88 3g4a h ASP 41 Cb 1.49 -0.08 -0.04 0.00 0.18 0.00 0.00 39.33 40.89 3g4a h ASP 41 CO 0.15 0.69 0.49 -0.09 -3.12 0.00 0.00 179.24 177.36 3g4a h ARG 42 N -0.12 1.05 -0.04 3.56 2.43 -1.28 -1.99 114.38 118.00 3g4a h ARG 42 Ca 0.02 -0.08 -0.13 0.00 -0.81 0.00 0.00 59.98 58.98 3g4a h ARG 42 Cb 0.60 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 3g4a h ARG 42 CO 0.03 0.72 -0.58 1.25 -1.51 0.00 0.00 179.97 179.88 3g4a h HIS 43 N 1.08 0.16 -0.61 2.20 2.76 -1.37 -2.40 115.15 116.96 3g4a h HIS 43 Ca 0.29 -0.06 -0.03 0.00 -2.20 0.00 0.00 60.37 58.37 3g4a h HIS 43 Cb -0.08 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 28.83 3g4a h HIS 43 CO 0.00 0.67 0.26 1.25 -1.30 0.00 0.00 177.93 178.82 3g4a h LEU 44 N 0.10 0.83 -0.61 0.26 5.85 -0.60 0.74 115.31 121.88 3g4a h LEU 44 Ca -0.00 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.59 3g4a h LEU 44 Cb 1.04 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 3g4a h LEU 44 CO 0.08 0.76 0.36 0.40 -0.34 0.00 0.00 178.44 179.70 3g4a h ILE 45 N 0.85 1.04 -0.76 4.05 2.04 -0.99 -0.03 117.51 123.70 3g4a h ILE 45 Ca 0.21 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 3g4a h ILE 45 Cb 0.18 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.50 3g4a h ILE 45 CO -0.02 0.13 0.35 -0.33 0.00 0.00 0.00 178.15 178.28 3g4a h GLU 46 N 0.70 1.10 -0.53 2.37 5.08 -1.15 -2.20 114.58 119.95 3g4a h GLU 46 Ca 0.25 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3g4a h GLU 46 Cb 0.06 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 3g4a h GLU 46 CO -0.12 0.86 0.35 -0.92 -1.00 0.00 0.00 179.01 178.18 3g4a h TYR 47 N 1.09 0.68 -0.40 4.33 5.03 0.24 0.00 116.97 127.94 3g4a h TYR 47 Ca 0.26 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.55 3g4a h TYR 47 Cb 0.13 -0.23 -0.02 0.00 1.55 0.00 0.00 36.73 38.17 3g4a h TYR 47 CO 0.01 0.43 0.09 -0.07 -1.32 0.00 0.00 178.16 177.31 3g4a h LEU 48 N 0.72 0.62 -0.31 2.82 3.38 -0.80 -1.80 115.31 119.94 3g4a h LEU 48 Ca 0.20 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3g4a h LEU 48 Cb -0.08 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3g4a h LEU 48 CO -0.04 0.69 0.01 -0.03 0.09 0.00 0.00 178.44 179.16 3g4a h MET 49 N 0.51 0.54 0.00 1.13 4.05 -1.34 0.26 114.93 120.08 3g4a h MET 49 Ca 0.13 -0.17 -0.03 0.00 -0.28 0.00 0.00 59.70 59.35 3g4a h MET 49 Cb 0.32 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.06 3g4a h MET 49 CO 0.00 0.67 -0.14 1.57 0.23 0.00 0.00 176.91 179.24 3g4a h LYS 50 N 0.34 0.00 -0.12 0.39 2.10 -0.81 -3.14 116.57 115.33 3g4a h LYS 50 Ca 0.09 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.74 3g4a h LYS 50 Cb 0.42 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 3g4a h LYS 50 CO 0.01 0.14 0.00 0.72 -2.00 0.00 0.00 179.45 178.33 3g4a n HIS 51 N -3.42 0.14 -1.17 0.07 8.25 -0.69 -4.99 115.22 113.42 3g4a n HIS 51 Ca -0.01 -0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 3g4a n HIS 51 Cb 0.33 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.43 3g4a n HIS 51 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3g4a n GLY 52 N 0.73 0.54 3.47 -1.41 0.00 -0.66 -5.02 105.19 102.84 3g4a n GLY 52 Ca 0.09 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 3g4a n GLY 52 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3g4a s HIS 53 N -2.00 2.71 -0.07 1.61 3.76 0.84 -4.85 115.29 117.28 3g4a s HIS 53 Ca 0.00 -0.44 0.16 0.00 -0.15 0.00 0.00 55.06 54.63 3g4a s HIS 53 Cb 0.00 -4.22 -0.25 0.00 1.11 0.00 0.00 32.58 29.22 3g4a s HIS 53 CO 0.00 -1.57 0.27 0.39 -0.85 0.00 0.00 174.74 172.97 3g4a n GLU 54 N 7.62 0.82 -0.11 1.40 1.02 -1.26 -4.49 120.64 125.64 3g4a n GLU 54 Ca -0.03 -0.11 -0.01 0.00 -0.02 0.00 0.00 57.16 57.00 3g4a n GLU 54 Cb 0.46 -1.42 0.25 0.00 -0.02 0.00 0.00 31.44 30.71 3g4a n GLU 54 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 3g4a h THR 55 N 0.00 1.20 -0.45 2.62 1.35 -1.98 -2.63 112.91 113.01 3g4a h THR 55 Ca -0.16 -0.63 0.13 0.00 -0.55 0.00 0.00 66.41 65.20 3g4a h THR 55 Cb 1.23 0.58 -0.02 0.00 -1.73 0.00 0.00 68.15 68.21 3g4a h THR 55 CO 0.01 0.25 0.33 -0.65 -0.25 0.00 0.00 175.52 175.21 3g4a h PRO 56 N 0.76 0.00 0.00 4.72 0.11 -1.89 -0.16 132.00 135.54 3g4a h PRO 56 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3g4a h PRO 56 Cb 0.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.28 3g4a h PRO 56 CO -0.02 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.96 3g4a n PHE 57 N -4.32 0.00 0.37 0.65 3.72 -0.99 -2.92 117.46 113.96 3g4a n PHE 57 Ca 0.08 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.58 3g4a n PHE 57 Cb 0.54 -0.41 0.43 0.00 -0.94 0.00 0.00 39.48 39.10 3g4a n PHE 57 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3g4a n GLU 58 N -1.41 0.13 0.00 -1.08 1.02 -0.07 -2.94 120.64 116.29 3g4a n GLU 58 Ca 0.09 0.42 0.13 0.00 -0.02 0.00 0.00 57.16 57.78 3g4a n GLU 58 Cb 0.27 -1.78 0.42 0.00 -0.02 0.00 0.00 31.44 30.33 3g4a n GLU 58 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3g4a n HIS 59 N -2.03 0.00 -3.43 -0.32 8.25 -1.15 -4.68 115.22 111.87 3g4a n HIS 59 Ca 0.02 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.10 3g4a n HIS 59 Cb 0.18 -0.20 -0.08 0.00 1.12 0.00 0.00 29.99 31.00 3g4a n HIS 59 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3g4a s ILE 60 N -2.68 5.23 0.01 1.59 1.01 -1.15 -4.72 121.20 120.49 3g4a s ILE 60 Ca 0.21 0.62 0.02 0.00 0.00 0.00 0.00 60.65 61.50 3g4a s ILE 60 Cb 0.19 -3.69 -0.01 0.00 0.01 0.00 0.00 42.46 38.96 3g4a s ILE 60 CO 0.56 0.27 -0.08 -0.69 0.00 0.00 0.00 174.94 175.00 3g4a s VAL 61 N 1.27 0.58 0.04 2.92 1.01 -0.81 -0.71 120.40 124.70 3g4a s VAL 61 Ca 0.17 -0.59 0.06 0.00 0.00 0.00 0.00 61.98 61.63 3g4a s VAL 61 Cb -0.15 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 3g4a s VAL 61 CO 0.07 -0.03 -0.19 -0.36 0.00 0.00 0.00 175.10 174.60 3g4a s PHE 62 N -0.58 1.63 -0.16 5.22 0.40 -0.38 0.12 117.98 124.23 3g4a s PHE 62 Ca -0.01 -0.36 -0.00 0.00 -0.60 0.00 0.00 56.93 55.95 3g4a s PHE 62 Cb -0.05 -0.97 -0.00 0.00 0.51 0.00 0.00 43.02 42.50 3g4a s PHE 62 CO 0.00 0.07 -0.14 0.99 0.70 0.00 0.00 175.22 176.85 3g4a s THR 63 N -0.80 2.81 0.14 0.64 2.01 -0.44 -1.53 115.64 118.48 3g4a s THR 63 Ca 0.06 -0.72 0.07 0.00 0.31 0.00 0.00 61.69 61.41 3g4a s THR 63 Cb -0.08 -2.20 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 3g4a s THR 63 CO 0.02 0.51 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.06 3g4a s PHE 64 N 0.82 2.85 -0.22 4.92 0.08 0.38 -0.50 117.98 126.31 3g4a s PHE 64 Ca -0.05 -0.11 -0.01 0.00 0.12 0.00 0.00 56.93 56.88 3g4a s PHE 64 Cb -0.15 -1.43 0.01 0.00 -0.57 0.00 0.00 43.02 40.88 3g4a s PHE 64 CO 0.00 0.49 -0.10 -1.58 -0.10 0.00 0.00 175.22 173.93 3g4a s HIS 65 N -1.50 2.95 -0.04 0.36 5.65 0.14 -1.31 115.29 121.54 3g4a s HIS 65 Ca 0.25 -1.42 0.05 0.00 0.25 0.00 0.00 55.06 54.19 3g4a s HIS 65 Cb -0.10 -2.03 -0.01 0.00 -1.18 0.00 0.00 32.58 29.26 3g4a s HIS 65 CO 0.17 -0.70 -0.19 0.08 -0.65 0.00 0.00 174.74 173.45 3g4a s VAL 66 N 1.35 1.55 -0.16 0.89 1.01 -0.40 -0.42 120.40 124.22 3g4a s VAL 66 Ca 0.03 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.23 3g4a s VAL 66 Cb -0.15 -1.32 0.01 0.00 0.00 0.00 0.00 36.38 34.93 3g4a s VAL 66 CO -0.07 0.44 -0.20 -0.75 0.00 0.00 0.00 175.10 174.53 3g4a s LYS 67 N -0.09 3.04 0.01 2.72 2.20 -0.13 -1.45 119.74 126.04 3g4a s LYS 67 Ca -0.02 -0.82 -0.20 0.00 -0.36 0.00 0.00 55.97 54.57 3g4a s LYS 67 Cb -0.11 -2.54 0.04 0.00 -1.51 0.00 0.00 37.83 33.71 3g4a s LYS 67 CO 0.02 -0.11 0.45 0.00 -0.36 0.00 0.00 175.35 175.34 3g4a s ALA 68 N 1.07 -1.12 0.67 3.13 0.00 -0.47 -1.71 121.76 123.32 3g4a s ALA 68 Ca -0.01 0.53 -0.17 0.00 0.00 0.00 0.00 51.96 52.31 3g4a s ALA 68 Cb -0.14 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.20 3g4a s ALA 68 CO -0.07 -0.40 1.23 -2.14 0.00 0.00 0.00 175.76 174.38 3g4a s PRO 69 N -1.96 2.50 0.24 0.00 0.02 -1.26 -0.86 135.00 133.68 3g4a s PRO 69 Ca -0.08 1.87 -0.07 0.00 0.02 0.00 0.00 61.00 62.74 3g4a s PRO 69 Cb -0.02 -1.86 0.25 0.00 0.02 0.00 0.00 34.50 32.89 3g4a s PRO 69 CO 0.02 -1.59 1.91 0.82 -0.33 0.00 0.00 177.00 177.83 3g4a h ILE 70 N 0.29 1.23 -0.03 2.83 2.04 -0.38 -0.13 117.51 123.35 3g4a h ILE 70 Ca -0.49 -0.44 0.01 0.00 1.00 0.00 0.00 64.86 64.94 3g4a h ILE 70 Cb 1.31 -0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.23 3g4a h ILE 70 CO 0.52 0.23 0.03 2.19 0.00 0.00 0.00 178.15 181.13 3g4a h PHE 71 N 1.28 0.00 0.04 1.37 -0.00 -1.61 0.16 116.94 118.17 3g4a h PHE 71 Ca 0.36 0.00 -0.07 0.00 -0.00 0.00 0.00 57.97 58.26 3g4a h PHE 71 Cb -0.12 0.00 0.01 0.00 -0.00 0.00 0.00 35.95 35.84 3g4a h PHE 71 CO -0.01 0.00 -0.29 0.28 -0.00 0.00 0.00 178.31 178.30 3g4a h VAL 72 N 0.00 1.65 -0.98 0.88 2.07 -1.38 -3.23 116.25 115.26 3g4a h VAL 72 Ca 0.01 -2.29 0.09 0.00 0.82 0.00 0.00 66.70 65.34 3g4a h VAL 72 Cb 0.08 3.17 -0.07 0.00 -1.52 0.00 0.00 31.29 32.95 3g4a h VAL 72 CO -0.00 0.62 0.63 0.00 0.02 0.00 0.00 177.57 178.84 3g4a h ALA 73 N 0.09 1.49 -0.57 1.67 0.00 -0.52 -0.59 119.26 120.83 3g4a h ALA 73 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3g4a h ALA 73 Cb 1.17 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 3g4a h ALA 73 CO 0.05 0.32 0.37 0.00 0.00 0.00 0.00 179.25 179.99 3g4a h ARG 74 N 1.06 0.77 -0.57 0.00 3.08 -0.81 0.48 114.38 118.40 3g4a h ARG 74 Ca 0.45 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.42 3g4a h ARG 74 Cb 0.32 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 3g4a h ARG 74 CO -0.20 0.53 0.25 1.96 -1.07 0.00 0.00 179.97 181.43 3g4a h GLN 75 N 0.78 0.83 -0.30 0.04 4.20 -1.44 -3.29 115.11 115.93 3g4a h GLN 75 Ca 0.21 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 3g4a h GLN 75 Cb -0.06 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 3g4a h GLN 75 CO -0.04 0.70 0.14 2.35 -0.67 0.00 0.00 178.83 181.31 3g4a h TRP 76 N 0.77 0.44 0.00 2.96 2.91 -0.51 -2.45 115.95 120.07 3g4a h TRP 76 Ca 0.19 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.19 3g4a h TRP 76 Cb 0.16 -0.13 0.00 0.00 -0.51 0.00 0.00 29.16 28.68 3g4a h TRP 76 CO 0.00 0.39 0.00 1.19 -1.03 0.00 0.00 178.44 179.00 3g4a n PHE 77 N -4.77 0.00 0.28 2.65 3.01 0.11 -2.21 117.46 116.52 3g4a n PHE 77 Ca -0.02 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.61 3g4a n PHE 77 Cb 0.11 0.00 0.70 0.00 -0.01 0.00 0.00 39.48 40.27 3g4a n PHE 77 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3g4a h ARG 78 N 0.00 0.00 -6.17 -1.08 2.47 -1.50 -3.40 114.38 104.70 3g4a h ARG 78 Ca 0.00 0.00 -0.52 0.00 -1.26 0.00 0.00 59.98 58.20 3g4a h ARG 78 Cb 0.00 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.26 3g4a h ARG 78 CO 0.00 0.03 1.18 -1.01 0.56 0.00 0.00 179.97 180.73 3g4a s HIS 79 N -3.72 2.05 -0.18 3.04 3.76 -0.94 -4.85 115.29 114.44 3g4a s HIS 79 Ca 0.01 0.23 0.17 0.00 -0.15 0.00 0.00 55.06 55.32 3g4a s HIS 79 Cb 0.09 -4.41 0.20 0.00 1.11 0.00 0.00 32.58 29.58 3g4a s HIS 79 CO 0.55 -2.14 1.51 0.00 -0.85 0.00 0.00 174.74 173.82 3g4a h ARG 80 N 11.89 0.00 -3.84 1.40 3.08 -1.90 -3.37 114.38 121.64 3g4a h ARG 80 Ca -0.22 0.00 -0.77 0.00 0.07 0.00 0.00 59.98 59.07 3g4a h ARG 80 Cb 1.09 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 30.93 3g4a h ARG 80 CO 1.27 0.38 1.26 -0.89 -1.07 0.00 0.00 179.97 180.91 3g4a n ILE 81 N -3.22 4.54 0.00 2.04 2.08 -1.26 -4.81 119.36 118.73 3g4a n ILE 81 Ca 0.02 -4.99 0.00 0.00 0.56 0.00 0.00 62.75 58.35 3g4a n ILE 81 Cb 0.67 -2.39 0.00 0.00 -0.75 0.00 0.00 39.64 37.16 3g4a n ILE 81 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3g4a n ALA 82 N 3.78 0.00 -2.34 -1.39 0.00 -1.26 -4.72 120.51 114.58 3g4a n ALA 82 Ca 0.33 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.47 3g4a n ALA 82 Cb 0.38 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.68 3g4a n ALA 82 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3g4a s SER 83 N 0.00 3.15 0.01 0.00 0.01 1.00 -4.98 113.70 112.89 3g4a s SER 83 Ca 0.00 -0.55 0.02 0.00 1.31 0.00 0.00 55.95 56.73 3g4a s SER 83 Cb 0.00 -0.31 -0.01 0.00 0.21 0.00 0.00 66.02 65.91 3g4a s SER 83 CO 0.00 0.28 -0.08 -0.31 0.41 0.00 0.00 173.24 173.54 3g4a s TYR 84 N -0.76 0.67 -0.04 2.43 1.51 -1.26 -0.82 117.35 119.08 3g4a s TYR 84 Ca 0.11 -0.25 0.01 0.00 -1.01 0.00 0.00 57.07 55.93 3g4a s TYR 84 Cb -0.10 -0.41 0.02 0.00 -0.11 0.00 0.00 41.96 41.36 3g4a s TYR 84 CO 0.01 -0.03 -0.02 -0.80 -1.11 0.00 0.00 175.55 173.61 3g4a s ASN 85 N -0.68 0.76 0.01 2.29 0.01 -0.32 -4.98 114.94 112.03 3g4a s ASN 85 Ca -0.01 -0.08 0.06 0.00 -0.71 0.00 0.00 52.86 52.12 3g4a s ASN 85 Cb -0.05 -0.34 -0.02 0.00 0.41 0.00 0.00 41.25 41.24 3g4a s ASN 85 CO 0.00 -0.08 -0.19 -0.70 -1.51 0.00 0.00 177.10 174.61 3g4a s GLU 86 N 1.04 1.44 0.13 -0.60 2.12 -1.26 -0.16 118.70 121.40 3g4a s GLU 86 Ca -0.09 -0.79 -0.35 0.00 0.36 0.00 0.00 54.97 54.10 3g4a s GLU 86 Cb -0.14 -1.46 -0.16 0.00 0.26 0.00 0.00 34.13 32.64 3g4a s GLU 86 CO -0.01 0.39 1.33 -0.11 -0.54 0.00 0.00 175.26 176.32 3g4a n LEU 87 N 2.25 1.96 -4.38 2.70 7.94 0.15 -4.95 117.00 122.67 3g4a n LEU 87 Ca -0.16 1.12 -0.39 0.00 -1.11 0.00 0.00 56.01 55.47 3g4a n LEU 87 Cb 0.53 -1.25 -0.12 0.00 0.53 0.00 0.00 43.42 43.12 3g4a n LEU 87 CO 0.23 -0.95 -0.19 0.00 -1.11 0.00 0.00 177.39 175.37 3g4a s ALA 88 N 0.32 3.23 0.49 1.96 0.00 -1.26 -4.84 121.76 121.67 3g4a s ALA 88 Ca 0.79 -1.62 0.38 0.00 0.00 0.00 0.00 51.96 51.51 3g4a s ALA 88 Cb -0.86 -2.46 2.07 0.00 0.00 0.00 0.00 23.12 21.87 3g4a s ALA 88 CO 0.47 -1.22 2.16 0.78 0.00 0.00 0.00 175.76 177.95 3g4a h GLY 89 N 8.37 0.00 1.85 0.00 0.00 -1.93 -0.18 103.07 111.19 3g4a h GLY 89 Ca -0.27 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.92 3g4a h GLY 89 CO 0.64 0.00 -0.61 3.21 0.00 0.00 0.00 176.54 179.79 3g4a h ARG 90 N 0.00 0.15 0.00 4.80 3.08 -1.91 -3.38 114.38 117.12 3g4a h ARG 90 Ca 0.00 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.95 3g4a h ARG 90 Cb 0.10 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3g4a h ARG 90 CO 0.00 0.71 -1.38 0.66 -1.07 0.00 0.00 179.97 178.89 3g4a n TYR 91 N -3.85 0.00 -4.57 3.04 4.01 -0.62 -4.29 117.16 110.88 3g4a n TYR 91 Ca -0.02 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.42 3g4a n TYR 91 Cb 0.61 -0.20 -0.13 0.00 -0.31 0.00 0.00 39.34 39.31 3g4a n TYR 91 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3g4a s SER 92 N -3.02 3.61 -0.27 7.72 0.01 -0.18 -5.06 113.70 116.51 3g4a s SER 92 Ca -0.03 -0.55 -0.29 0.00 1.31 0.00 0.00 55.95 56.39 3g4a s SER 92 Cb 0.06 -0.46 0.01 0.00 0.21 0.00 0.00 66.02 65.84 3g4a s SER 92 CO 0.39 0.22 1.16 -0.75 0.41 0.00 0.00 173.24 174.67 3g4a s LYS 93 N -1.70 4.10 0.28 12.44 2.20 -1.26 -4.64 119.74 131.16 3g4a s LYS 93 Ca 0.15 1.28 -0.29 0.00 -0.36 0.00 0.00 55.97 56.75 3g4a s LYS 93 Cb -0.10 -3.76 -0.09 0.00 -1.51 0.00 0.00 37.83 32.36 3g4a s LYS 93 CO 0.06 -0.87 1.05 -0.51 -0.36 0.00 0.00 175.35 174.72 3g4a s LEU 94 N 3.72 4.53 0.51 5.43 1.43 -1.26 -5.02 118.68 128.02 3g4a s LEU 94 Ca 0.50 2.15 -0.18 0.00 -1.03 0.00 0.00 54.13 55.57 3g4a s LEU 94 Cb -0.16 -3.69 -0.08 0.00 0.03 0.00 0.00 46.19 42.30 3g4a s LEU 94 CO 0.15 -0.10 1.00 -0.44 0.23 0.00 0.00 176.35 177.20 3g4a s SER 95 N -1.05 6.46 -1.14 2.29 0.01 -1.26 -4.96 113.70 114.05 3g4a s SER 95 Ca 0.45 1.69 -0.23 0.00 1.31 0.00 0.00 55.95 59.17 3g4a s SER 95 Cb -0.29 -2.53 -0.06 0.00 0.21 0.00 0.00 66.02 63.35 3g4a s SER 95 CO 0.37 -0.70 1.91 -0.47 0.41 0.00 0.00 173.24 174.76 3g4a s TYR 96 N -2.44 2.01 -0.19 2.43 5.04 -1.26 -4.83 117.35 118.10 3g4a s TYR 96 Ca 0.61 0.29 -0.04 0.00 -2.44 0.00 0.00 57.07 55.50 3g4a s TYR 96 Cb -0.12 -4.09 0.09 0.00 0.35 0.00 0.00 41.96 38.20 3g4a s TYR 96 CO 0.28 -1.36 0.22 -1.21 -1.34 0.00 0.00 175.55 172.14 3g4a s GLU 97 N 6.35 0.18 0.06 4.97 2.02 -1.26 -5.12 118.70 125.90 3g4a s GLU 97 Ca 0.67 0.26 0.04 0.00 0.02 0.00 0.00 54.97 55.96 3g4a s GLU 97 Cb -0.01 -1.08 -0.03 0.00 0.10 0.00 0.00 34.13 33.11 3g4a s GLU 97 CO 0.10 -0.62 -0.11 -0.06 0.02 0.00 0.00 175.26 174.59 3g4a s PHE 98 N 2.33 1.00 -0.29 1.61 0.40 -1.26 -0.77 117.98 121.00 3g4a s PHE 98 Ca 0.06 -0.49 -0.21 0.00 -0.60 0.00 0.00 56.93 55.69 3g4a s PHE 98 Cb -0.15 -0.57 -0.01 0.00 0.51 0.00 0.00 43.02 42.80 3g4a s PHE 98 CO -0.12 0.00 0.66 -0.47 0.70 0.00 0.00 175.22 176.00 3g4a s TYR 99 N -1.42 3.23 -0.32 0.36 5.04 -0.01 -4.87 117.35 119.36 3g4a s TYR 99 Ca -0.04 0.70 -0.06 0.00 -2.44 0.00 0.00 57.07 55.23 3g4a s TYR 99 Cb -0.09 -3.00 0.03 0.00 0.35 0.00 0.00 41.96 39.25 3g4a s TYR 99 CO 0.01 -0.45 0.08 0.42 -1.34 0.00 0.00 175.55 174.27 3g4a s ILE 100 N 2.65 3.72 0.49 3.14 -1.09 -1.26 -4.88 121.20 123.98 3g4a s ILE 100 Ca 0.27 -1.03 -0.24 0.00 -2.23 0.00 0.00 60.65 57.42 3g4a s ILE 100 Cb -0.15 -3.05 -0.07 0.00 -1.58 0.00 0.00 42.46 37.61 3g4a s ILE 100 CO 0.11 -0.08 1.39 -2.16 -1.23 0.00 0.00 174.94 172.96 3g4a s PRO 101 N 1.41 3.49 0.72 2.79 0.04 -1.26 -4.86 135.00 137.34 3g4a s PRO 101 Ca -0.01 2.32 -0.11 0.00 0.04 0.00 0.00 61.00 63.25 3g4a s PRO 101 Cb -0.19 -2.50 0.03 0.00 0.04 0.00 0.00 34.50 31.88 3g4a s PRO 101 CO 0.02 -0.94 1.07 -1.54 0.04 0.00 0.00 177.00 175.65 3g4a s SER 102 N -0.71 5.06 0.51 6.66 1.04 -1.26 -4.80 113.70 120.21 3g4a s SER 102 Ca 0.65 1.67 0.20 0.00 0.48 0.00 0.00 55.95 58.95 3g4a s SER 102 Cb -0.42 -2.49 1.30 0.00 0.10 0.00 0.00 66.02 64.51 3g4a s SER 102 CO 0.52 -1.66 2.06 -0.65 0.98 0.00 0.00 173.24 174.50 3g4a h PRO 103 N -0.87 0.05 0.00 4.02 0.11 -1.94 -2.00 132.00 131.38 3g4a h PRO 103 Ca -0.44 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 3g4a h PRO 103 Cb 1.22 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3g4a h PRO 103 CO 0.55 0.03 -0.04 1.49 -0.21 0.00 0.00 178.00 179.83 3g4a h GLU 104 N 0.05 0.00 -0.89 1.05 4.57 -1.97 -2.94 114.58 114.46 3g4a h GLU 104 Ca 0.14 0.00 0.21 0.00 -1.18 0.00 0.00 59.36 58.53 3g4a h GLU 104 Cb 0.51 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.04 3g4a h GLU 104 CO -0.01 0.04 0.59 -0.09 -1.18 0.00 0.00 179.01 178.36 3g4a h ARG 105 N 0.00 0.32 -1.03 1.92 9.65 -1.73 -0.44 114.38 123.07 3g4a h ARG 105 Ca -0.00 -0.02 -0.40 0.00 -1.10 0.00 0.00 59.98 58.46 3g4a h ARG 105 Cb 0.50 -0.07 -0.23 0.00 -1.39 0.00 0.00 29.97 28.78 3g4a h ARG 105 CO 0.00 0.21 0.51 1.28 2.80 0.00 0.00 179.97 184.77 3g4a n LEU 106 N -4.47 5.94 -4.69 3.80 4.77 -1.11 -4.93 117.00 116.31 3g4a n LEU 106 Ca 0.19 -3.15 -0.42 0.00 -0.03 0.00 0.00 56.01 52.59 3g4a n LEU 106 Cb 0.74 -0.78 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 3g4a n LEU 106 CO 0.32 0.96 1.13 -0.70 -1.33 0.00 0.00 177.39 177.77 3g4a s GLU 107 N -2.50 4.28 0.00 3.23 2.56 -0.17 -3.23 118.70 122.87 3g4a s GLU 107 Ca 0.43 1.99 0.00 0.00 0.00 0.00 0.00 54.97 57.39 3g4a s GLU 107 Cb 0.36 -3.56 0.00 0.00 2.00 0.00 0.00 34.13 32.93 3g4a s GLU 107 CO 0.07 -0.58 0.00 0.41 -0.56 0.00 0.00 175.26 174.60 3g4a n GLY 108 N 3.66 0.49 3.32 -1.50 0.00 -1.26 -5.06 105.19 104.85 3g4a n GLY 108 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 3g4a n GLY 108 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3g4a s TYR 109 N -2.07 2.92 -0.12 1.61 2.02 -1.20 -5.08 117.35 115.43 3g4a s TYR 109 Ca 0.00 -0.89 -0.29 0.00 -0.37 0.00 0.00 57.07 55.52 3g4a s TYR 109 Cb 0.00 -2.03 -0.04 0.00 -0.40 0.00 0.00 41.96 39.49 3g4a s TYR 109 CO 0.00 -0.47 1.64 0.21 -1.57 0.00 0.00 175.55 175.37 3g4a s LYS 110 N 1.16 4.01 -0.05 -0.62 2.36 -1.26 -4.99 119.74 120.35 3g4a s LYS 110 Ca 0.02 1.98 0.06 0.00 -2.55 0.00 0.00 55.97 55.47 3g4a s LYS 110 Cb -0.14 -4.01 -0.02 0.00 -1.05 0.00 0.00 37.83 32.61 3g4a s LYS 110 CO -0.02 -1.04 -0.23 0.99 1.55 0.00 0.00 175.35 176.60 3g4a s THR 111 N 4.57 2.25 0.27 3.43 2.01 -1.26 -5.03 115.64 121.88 3g4a s THR 111 Ca 0.73 -1.01 -0.03 0.00 0.31 0.00 0.00 61.69 61.69 3g4a s THR 111 Cb -0.30 -1.82 0.19 0.00 0.01 0.00 0.00 72.50 70.58 3g4a s THR 111 CO 0.29 0.57 1.86 0.74 -0.69 0.00 0.00 174.62 177.39 3g4a h THR 112 N 4.82 1.23 -2.95 -0.82 2.02 -2.05 -3.44 112.91 111.72 3g4a h THR 112 Ca -0.37 -0.68 -0.63 0.00 0.77 0.00 0.00 66.41 65.51 3g4a h THR 112 Cb 1.16 0.38 -0.15 0.00 -1.74 0.00 0.00 68.15 67.79 3g4a h THR 112 CO 0.48 0.28 -0.76 0.27 0.37 0.00 0.00 175.52 176.16 3g4a s ILE 113 N -5.51 2.83 0.61 3.11 -4.36 -1.26 -5.11 121.20 111.50 3g4a s ILE 113 Ca -0.11 -1.88 -0.19 0.00 -0.26 0.00 0.00 60.65 58.21 3g4a s ILE 113 Cb 0.16 -2.40 -0.03 0.00 1.25 0.00 0.00 42.46 41.44 3g4a s ILE 113 CO 0.81 -0.16 1.29 -2.84 0.24 0.00 0.00 174.94 174.28 3g4a s PRO 114 N -2.89 2.80 0.35 0.37 0.02 -1.26 -4.82 135.00 129.57 3g4a s PRO 114 Ca 0.24 2.04 0.10 0.00 0.02 0.00 0.00 61.00 63.40 3g4a s PRO 114 Cb -0.08 -1.96 0.84 0.00 0.02 0.00 0.00 34.50 33.32 3g4a s PRO 114 CO 0.13 -1.40 1.82 -1.00 -0.33 0.00 0.00 177.00 176.23 3g4a h PRO 115 N 0.85 0.65 -0.85 5.54 0.13 -1.94 -0.25 132.00 136.13 3g4a h PRO 115 Ca -0.51 -0.04 0.13 0.00 -0.87 0.00 0.00 66.00 64.71 3g4a h PRO 115 Cb 1.32 -0.15 -0.06 0.00 0.13 0.00 0.00 31.00 32.24 3g4a h PRO 115 CO 0.55 0.43 0.55 0.93 -0.23 0.00 0.00 178.00 180.23 3g4a h GLU 116 N 0.67 0.66 -0.23 0.86 4.39 -1.91 -0.99 114.58 118.03 3g4a h GLU 116 Ca 0.52 -0.04 -0.20 0.00 0.34 0.00 0.00 59.36 59.97 3g4a h GLU 116 Cb 0.91 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 3g4a h GLU 116 CO -0.28 0.44 -0.65 0.00 -1.16 0.00 0.00 179.01 177.36 3g4a h ARG 117 N 0.68 0.83 -0.23 2.33 2.47 -1.39 -1.37 114.38 117.70 3g4a h ARG 117 Ca 0.42 -0.59 0.04 0.00 -1.26 0.00 0.00 59.98 58.59 3g4a h ARG 117 Cb 0.65 0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 29.02 3g4a h ARG 117 CO -0.18 1.21 -0.03 0.28 0.56 0.00 0.00 179.97 181.81 3g4a h VAL 118 N 0.61 0.80 -0.39 2.04 2.07 -0.97 0.10 116.25 120.50 3g4a h VAL 118 Ca -0.01 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.54 3g4a h VAL 118 Cb 1.26 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 3g4a h VAL 118 CO 0.14 0.01 0.14 0.74 0.02 0.00 0.00 177.57 178.62 3g4a h THR 119 N 0.03 0.89 -0.32 2.57 2.02 -1.18 -2.01 112.91 114.91 3g4a h THR 119 Ca 0.11 -0.10 0.06 0.00 0.77 0.00 0.00 66.41 67.24 3g4a h THR 119 Cb 0.15 0.56 -0.05 0.00 -1.74 0.00 0.00 68.15 67.07 3g4a h THR 119 CO -0.21 0.06 0.01 -0.08 0.37 0.00 0.00 175.52 175.66 3g4a h GLU 120 N 0.30 0.10 -0.09 6.66 4.81 -0.81 -2.23 114.58 123.32 3g4a h GLU 120 Ca 0.18 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.35 3g4a h GLU 120 Cb 0.16 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 3g4a h GLU 120 CO -0.18 0.06 -0.22 0.87 -0.73 0.00 0.00 179.01 178.82 3g4a h LYS 121 N 0.10 0.15 0.02 1.92 1.57 -0.67 -1.56 116.57 118.10 3g4a h LYS 121 Ca 0.15 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3g4a h LYS 121 Cb 0.20 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3g4a h LYS 121 CO -0.25 0.37 -0.01 0.82 -0.57 0.00 0.00 179.45 179.81 3g4a h ILE 122 N 0.14 1.30 -0.92 1.86 2.04 -1.17 -2.92 117.51 117.84 3g4a h ILE 122 Ca 0.02 -0.98 0.18 0.00 1.00 0.00 0.00 64.86 65.08 3g4a h ILE 122 Cb 0.47 1.96 -0.08 0.00 -0.74 0.00 0.00 36.82 38.43 3g4a h ILE 122 CO 0.03 0.25 0.59 0.28 0.00 0.00 0.00 178.15 179.31 3g4a h SER 123 N -0.44 0.59 -0.26 1.72 0.02 -1.18 -1.60 113.55 112.40 3g4a h SER 123 Ca -0.00 0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 60.91 3g4a h SER 123 Cb 0.43 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 3g4a h SER 123 CO 0.00 0.26 -0.19 -0.33 -1.14 0.00 0.00 176.83 175.44 3g4a h GLU 124 N 0.61 0.58 -0.47 3.45 5.08 -1.21 -0.93 114.58 121.67 3g4a h GLU 124 Ca 0.48 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 3g4a h GLU 124 Cb 0.92 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 3g4a h GLU 124 CO -0.23 0.86 0.21 0.82 -1.00 0.00 0.00 179.01 179.67 3g4a h ILE 125 N 0.30 1.20 -0.20 3.13 1.08 -1.30 -1.67 117.51 120.05 3g4a h ILE 125 Ca 0.05 -0.58 0.04 0.00 -0.39 0.00 0.00 64.86 63.98 3g4a h ILE 125 Cb 0.73 0.70 -0.04 0.00 -3.07 0.00 0.00 36.82 35.13 3g4a h ILE 125 CO 0.05 0.22 -0.06 0.58 -0.69 0.00 0.00 178.15 178.25 3g4a h VAL 126 N 0.62 0.78 -0.57 1.67 2.07 -1.13 0.26 116.25 119.95 3g4a h VAL 126 Ca 0.16 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.62 3g4a h VAL 126 Cb 0.15 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 3g4a h VAL 126 CO -0.02 0.00 0.13 0.44 0.02 0.00 0.00 177.57 178.14 3g4a h ASP 127 N -0.01 0.87 -0.05 0.57 3.32 -1.08 -0.80 116.42 119.24 3g4a h ASP 127 Ca 0.10 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 3g4a h ASP 127 Cb 0.16 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 3g4a h ASP 127 CO -0.21 0.88 0.03 0.11 -1.72 0.00 0.00 179.24 178.33 3g4a h LYS 128 N 0.82 0.07 -0.44 3.56 1.57 -1.07 -0.89 116.57 120.20 3g4a h LYS 128 Ca 0.18 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 3g4a h LYS 128 Cb 0.36 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 3g4a h LYS 128 CO 0.00 0.09 0.24 0.00 -0.57 0.00 0.00 179.45 179.21 3g4a h ALA 129 N 0.97 0.57 -0.63 3.86 0.00 -0.85 -0.45 119.26 122.73 3g4a h ALA 129 Ca 0.02 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3g4a h ALA 129 Cb 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3g4a h ALA 129 CO -0.00 0.09 0.07 -0.92 0.00 0.00 0.00 179.25 178.49 3g4a h TYR 130 N 0.58 1.14 -0.17 0.00 3.20 -1.04 0.29 116.97 120.96 3g4a h TYR 130 Ca 0.16 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 61.86 3g4a h TYR 130 Cb 0.06 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.01 3g4a h TYR 130 CO -0.02 0.98 0.11 -0.09 -1.64 0.00 0.00 178.16 177.50 3g4a h ARG 131 N 0.97 0.23 -0.62 1.82 2.43 -0.94 -0.71 114.38 117.56 3g4a h ARG 131 Ca 0.19 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.37 3g4a h ARG 131 Cb 0.48 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.93 3g4a h ARG 131 CO 0.02 0.17 0.37 1.15 -1.51 0.00 0.00 179.97 180.17 3g4a h THR 132 N 0.22 1.05 -0.45 0.20 2.02 -0.71 0.35 112.91 115.60 3g4a h THR 132 Ca 0.06 -0.25 0.07 0.00 0.77 0.00 0.00 66.41 67.07 3g4a h THR 132 Cb -0.01 0.26 -0.06 0.00 -1.74 0.00 0.00 68.15 66.60 3g4a h THR 132 CO -0.01 0.13 0.08 0.22 0.37 0.00 0.00 175.52 176.31 3g4a h TYR 133 N 0.73 0.13 -0.46 3.16 3.20 0.29 0.12 116.97 124.15 3g4a h TYR 133 Ca 0.26 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 62.04 3g4a h TYR 133 Cb 0.05 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 3g4a h TYR 133 CO -0.06 -0.00 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.23 3g4a h LEU 134 N 0.22 0.89 -0.84 2.82 3.38 -0.81 -1.84 115.31 119.12 3g4a h LEU 134 Ca 0.22 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3g4a h LEU 134 Cb 0.28 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 3g4a h LEU 134 CO -0.29 1.04 0.49 -0.33 0.09 0.00 0.00 178.44 179.44 3g4a h GLU 135 N 0.78 1.15 -0.15 1.13 5.08 -0.40 0.10 114.58 122.26 3g4a h GLU 135 Ca 0.12 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3g4a h GLU 135 Cb 0.69 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3g4a h GLU 135 CO 0.05 0.82 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.80 3g4a h LEU 136 N 1.16 0.28 -0.39 1.33 3.38 -0.74 -1.70 115.31 118.63 3g4a h LEU 136 Ca 0.30 -0.34 0.05 0.00 0.09 0.00 0.00 57.88 57.97 3g4a h LEU 136 Cb -0.02 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 3g4a h LEU 136 CO -0.05 0.56 0.14 0.40 0.09 0.00 0.00 178.44 179.58 3g4a h ILE 137 N 0.00 0.88 0.00 1.22 2.04 -1.21 -1.27 117.51 119.18 3g4a h ILE 137 Ca 0.04 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 3g4a h ILE 137 Cb 0.43 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 3g4a h ILE 137 CO 0.01 0.05 -0.00 -0.33 0.00 0.00 0.00 178.15 177.88 3g4a h GLU 138 N 0.30 0.00 -0.00 2.37 3.07 -0.85 -1.54 114.58 117.92 3g4a h GLU 138 Ca 0.18 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.04 3g4a h GLU 138 Cb 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 3g4a h GLU 138 CO -0.19 0.00 -0.03 0.43 -1.40 0.00 0.00 179.01 177.82 3g4a n SER 139 N -4.34 0.04 0.00 1.42 7.64 -0.65 -4.90 113.62 112.83 3g4a n SER 139 Ca -0.03 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.14 3g4a n SER 139 Cb 0.09 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 3g4a n SER 139 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3g4a n GLY 140 N 1.45 1.07 3.69 0.23 0.00 -0.58 -5.07 105.19 105.98 3g4a n GLY 140 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3g4a n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g4a s VAL 141 N -2.00 4.33 0.34 1.61 1.01 -0.56 -4.97 120.40 120.16 3g4a s VAL 141 Ca 0.00 1.65 -0.27 0.00 0.00 0.00 0.00 61.98 63.36 3g4a s VAL 141 Cb 0.00 -4.06 -0.13 0.00 0.00 0.00 0.00 36.38 32.20 3g4a s VAL 141 CO 0.00 0.02 1.07 -0.81 0.00 0.00 0.00 175.10 175.38 3g4a n PRO 142 N 5.00 1.53 -0.34 2.72 -0.04 -1.26 -4.29 135.00 138.32 3g4a n PRO 142 Ca 0.10 0.54 0.10 0.00 -0.04 0.00 0.00 63.50 64.20 3g4a n PRO 142 Cb 0.47 -2.01 0.27 0.00 -0.04 0.00 0.00 33.50 32.19 3g4a n PRO 142 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3g4a h ARG 143 N 1.98 0.78 0.00 0.54 3.08 -1.89 -1.01 114.38 117.86 3g4a h ARG 143 Ca -0.43 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.56 3g4a h ARG 143 Cb 1.33 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 31.20 3g4a h ARG 143 CO 0.60 0.52 -0.08 1.05 -1.07 0.00 0.00 179.97 180.98 3g4a h GLU 144 N 0.81 0.00 0.06 0.04 4.11 -1.75 -1.88 114.58 115.97 3g4a h GLU 144 Ca 0.53 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.64 3g4a h GLU 144 Cb 0.71 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 3g4a h GLU 144 CO -0.34 0.08 -1.73 0.28 0.07 0.00 0.00 179.01 177.37 3g4a n VAL 145 N -3.49 1.65 -0.33 -1.06 0.31 -0.78 -4.43 118.33 110.20 3g4a n VAL 145 Ca -0.02 -0.36 0.08 0.00 -0.01 0.00 0.00 64.34 64.04 3g4a n VAL 145 Cb 0.22 -1.87 0.28 0.00 -0.91 0.00 0.00 33.84 31.56 3g4a n VAL 145 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3g4a h ALA 146 N -0.25 1.60 0.00 3.52 0.00 -0.94 -2.10 119.26 121.09 3g4a h ALA 146 Ca -0.42 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3g4a h ALA 146 Cb 1.68 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.29 3g4a h ALA 146 CO -0.08 0.15 0.00 2.89 0.00 0.00 0.00 179.25 182.21 3g4a n ARG 147 N -4.60 0.03 0.01 0.00 -4.01 -0.73 -3.41 116.66 103.94 3g4a n ARG 147 Ca 0.18 0.25 0.08 0.00 -1.04 0.00 0.00 57.85 57.33 3g4a n ARG 147 Cb 0.38 -1.50 0.37 0.00 -3.04 0.00 0.00 32.46 28.67 3g4a n ARG 147 CO 0.00 0.00 0.00 0.44 -3.04 0.00 0.00 177.63 175.03 3g4a n ILE 148 N -1.47 0.82 0.94 8.89 -5.35 -0.79 -1.69 119.36 120.71 3g4a n ILE 148 Ca 0.04 0.20 0.12 0.00 -0.27 0.00 0.00 62.75 62.84 3g4a n ILE 148 Cb 0.15 -0.92 0.24 0.00 -1.74 0.00 0.00 39.64 37.37 3g4a n ILE 148 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 3g4a n VAL 149 N -1.55 0.04 -2.42 7.28 0.24 -1.22 -4.90 118.33 115.79 3g4a n VAL 149 Ca 0.04 -0.04 -0.41 0.00 -2.04 0.00 0.00 64.34 61.90 3g4a n VAL 149 Cb 0.20 0.19 -0.04 0.00 -1.47 0.00 0.00 33.84 32.72 3g4a n VAL 149 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3g4a s LEU 150 N -3.17 4.52 0.64 1.34 1.43 -0.68 -4.85 118.68 117.91 3g4a s LEU 150 Ca 0.10 2.29 -0.12 0.00 -1.03 0.00 0.00 54.13 55.37 3g4a s LEU 150 Cb 0.17 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.74 3g4a s LEU 150 CO 0.70 -0.23 1.04 -2.16 0.23 0.00 0.00 176.35 175.93 3g4a s PRO 151 N -1.17 3.37 0.32 1.29 0.04 -1.26 -4.95 135.00 132.64 3g4a s PRO 151 Ca 0.47 0.88 0.23 0.00 0.04 0.00 0.00 61.00 62.62 3g4a s PRO 151 Cb -0.33 -2.05 1.18 0.00 0.04 0.00 0.00 34.50 33.35 3g4a s PRO 151 CO 0.41 -0.76 1.71 -0.07 0.04 0.00 0.00 177.00 178.33 3g4a h LEU 152 N -0.30 0.00 -0.54 -3.56 3.38 -1.99 -0.80 115.31 111.49 3g4a h LEU 152 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3g4a h LEU 152 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3g4a h LEU 152 CO 0.60 0.00 0.00 -0.46 0.09 0.00 0.00 178.44 178.67 3g4a n ASN 153 N -2.30 0.82 -4.65 -0.43 6.94 -1.26 -1.66 115.26 112.73 3g4a n ASN 153 Ca -0.01 -1.41 -0.46 0.00 -0.02 0.00 0.00 54.58 52.69 3g4a n ASN 153 Cb 0.09 -0.03 -0.03 0.00 -2.36 0.00 0.00 39.78 37.45 3g4a n ASN 153 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 3g4a n LEU 154 N -0.30 2.67 -4.75 -4.53 7.94 -0.31 -0.83 117.00 116.89 3g4a n LEU 154 Ca 0.18 1.14 -0.40 0.00 -1.11 0.00 0.00 56.01 55.83 3g4a n LEU 154 Cb 0.22 -1.37 -0.06 0.00 0.53 0.00 0.00 43.42 42.74 3g4a n LEU 154 CO 0.15 -0.72 0.57 -0.31 -1.11 0.00 0.00 177.39 175.96 3g4a s TYR 155 N -0.15 3.89 0.36 1.96 2.02 0.05 -0.51 117.35 124.98 3g4a s TYR 155 Ca 0.69 1.74 0.06 0.00 -0.37 0.00 0.00 57.07 59.19 3g4a s TYR 155 Cb -0.70 -2.90 -0.07 0.00 -0.40 0.00 0.00 41.96 37.89 3g4a s TYR 155 CO 0.51 0.40 0.01 -0.08 -1.57 0.00 0.00 175.55 174.82 3g4a s THR 156 N -0.78 1.72 0.02 -0.71 -1.32 -0.04 -4.90 115.64 109.64 3g4a s THR 156 Ca 0.40 -2.03 0.03 0.00 -1.21 0.00 0.00 61.69 58.88 3g4a s THR 156 Cb -0.24 -2.84 -0.02 0.00 -1.51 0.00 0.00 72.50 67.90 3g4a s THR 156 CO 0.28 -0.05 -0.10 -0.13 -2.21 0.00 0.00 174.62 172.41 3g4a s ARG 157 N -3.76 0.74 0.01 7.08 0.52 -1.26 -1.37 118.95 120.90 3g4a s ARG 157 Ca 0.35 -0.57 -0.19 0.00 -0.52 0.00 0.00 55.73 54.79 3g4a s ARG 157 Cb 0.08 -0.69 0.04 0.00 0.52 0.00 0.00 34.95 34.90 3g4a s ARG 157 CO 0.16 0.17 0.43 -0.59 0.02 0.00 0.00 175.30 175.49 3g4a s PHE 158 N -0.69 -0.31 -0.02 -0.53 -0.71 -0.52 -0.67 117.98 114.52 3g4a s PHE 158 Ca -0.00 0.41 -0.14 0.00 -1.04 0.00 0.00 56.93 56.16 3g4a s PHE 158 Cb -0.06 0.21 -0.05 0.00 -1.21 0.00 0.00 43.02 41.90 3g4a s PHE 158 CO 0.00 -0.51 0.38 -0.06 -1.34 0.00 0.00 175.22 173.69 3g4a s PHE 159 N -1.82 3.70 -0.19 3.49 0.08 0.77 -1.27 117.98 122.75 3g4a s PHE 159 Ca -0.09 0.93 -0.00 0.00 0.12 0.00 0.00 56.93 57.89 3g4a s PHE 159 Cb -0.02 -2.26 0.05 0.00 -0.57 0.00 0.00 43.02 40.21 3g4a s PHE 159 CO 0.02 0.63 -0.06 -0.46 -0.10 0.00 0.00 175.22 175.26 3g4a s TRP 160 N -0.98 1.91 -0.18 0.36 -0.00 -0.42 -1.17 118.94 118.45 3g4a s TRP 160 Ca 0.23 -1.28 -0.04 0.00 -0.00 0.00 0.00 56.10 55.01 3g4a s TRP 160 Cb -0.16 -1.40 -0.02 0.00 -0.00 0.00 0.00 33.47 31.88 3g4a s TRP 160 CO 0.12 -0.67 -0.02 0.99 -0.00 0.00 0.00 176.95 177.37 3g4a s THR 161 N 1.56 3.88 -0.13 5.86 2.01 -0.00 -0.47 115.64 128.35 3g4a s THR 161 Ca -0.01 -0.35 -0.17 0.00 0.31 0.00 0.00 61.69 61.47 3g4a s THR 161 Cb -0.16 -2.73 0.04 0.00 0.01 0.00 0.00 72.50 69.66 3g4a s THR 161 CO -0.08 0.46 0.45 0.54 -0.69 0.00 0.00 174.62 175.31 3g4a s VAL 162 N 0.71 0.01 0.50 3.82 0.11 -0.58 -0.00 120.40 124.96 3g4a s VAL 162 Ca -0.01 -0.10 -0.02 0.00 -2.93 0.00 0.00 61.98 58.92 3g4a s VAL 162 Cb -0.14 -0.67 0.00 0.00 -1.53 0.00 0.00 36.38 34.04 3g4a s VAL 162 CO 0.02 -0.05 0.74 0.54 -3.33 0.00 0.00 175.10 173.02 3g4a s ASN 163 N -0.22 5.75 0.49 3.54 2.20 -1.26 -1.25 114.94 124.19 3g4a s ASN 163 Ca -0.04 0.41 0.19 0.00 -0.94 0.00 0.00 52.86 52.48 3g4a s ASN 163 Cb -0.03 -1.56 1.22 0.00 -2.00 0.00 0.00 41.25 38.87 3g4a s ASN 163 CO 0.02 -0.82 2.05 0.00 -2.94 0.00 0.00 177.10 175.41 3g4a h ALA 164 N 0.22 1.61 -0.07 3.54 0.00 -0.87 -0.67 119.26 123.02 3g4a h ALA 164 Ca -0.46 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.31 3g4a h ALA 164 Cb 1.25 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 3g4a h ALA 164 CO 0.58 0.17 -0.05 -0.09 0.00 0.00 0.00 179.25 179.85 3g4a h ARG 165 N 0.00 0.15 -0.25 0.00 2.43 -1.85 -0.96 114.38 113.91 3g4a h ARG 165 Ca -0.00 -0.08 -0.08 0.00 -0.81 0.00 0.00 59.98 59.02 3g4a h ARG 165 Cb 0.26 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 3g4a h ARG 165 CO 0.02 0.57 -0.18 1.03 -1.51 0.00 0.00 179.97 179.90 3g4a h SER 166 N -0.26 0.43 -0.63 -3.80 0.87 -1.83 -2.07 113.55 106.26 3g4a h SER 166 Ca 0.01 -0.12 -0.07 0.00 -1.23 0.00 0.00 61.79 60.39 3g4a h SER 166 Cb 0.54 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.36 3g4a h SER 166 CO 0.01 0.63 0.13 0.25 -0.53 0.00 0.00 176.83 177.32 3g4a h LEU 167 N 0.40 0.97 -0.97 2.23 5.85 -1.11 -0.91 115.31 121.76 3g4a h LEU 167 Ca 0.07 -0.24 -0.09 0.00 0.84 0.00 0.00 57.88 58.46 3g4a h LEU 167 Cb 0.55 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 3g4a h LEU 167 CO 0.04 0.96 -0.19 0.24 -0.34 0.00 0.00 178.44 179.15 3g4a h MET 168 N 0.93 0.52 -0.19 1.25 2.86 -0.78 -0.12 114.93 119.41 3g4a h MET 168 Ca 0.19 -0.18 0.01 0.00 -2.06 0.00 0.00 59.70 57.67 3g4a h MET 168 Cb 0.39 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 3g4a h MET 168 CO 0.01 0.69 0.09 -0.97 1.06 0.00 0.00 176.91 177.78 3g4a h ASN 169 N 0.47 0.13 -0.23 1.22 -1.24 -1.05 -0.58 115.58 114.30 3g4a h ASN 169 Ca 0.08 0.01 0.05 0.00 0.71 0.00 0.00 56.30 57.15 3g4a h ASN 169 Cb 0.60 -0.01 -0.05 0.00 0.73 0.00 0.00 38.32 39.58 3g4a h ASN 169 CO 0.04 0.10 -0.12 0.15 -1.29 0.00 0.00 177.43 176.31 3g4a h PHE 170 N 0.19 -0.29 -0.88 0.67 3.04 -0.83 -1.60 116.94 117.24 3g4a h PHE 170 Ca 0.08 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.05 3g4a h PHE 170 Cb 0.02 0.16 -0.04 0.00 2.56 0.00 0.00 35.95 38.65 3g4a h PHE 170 CO -0.10 -0.18 0.53 -0.07 -2.02 0.00 0.00 178.31 176.47 3g4a h LEU 171 N -0.09 1.06 -0.83 0.59 3.38 -0.85 0.28 115.31 118.84 3g4a h LEU 171 Ca 0.13 -0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.12 3g4a h LEU 171 Cb 0.28 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 3g4a h LEU 171 CO -0.29 0.81 0.47 0.78 0.09 0.00 0.00 178.44 180.31 3g4a h ASN 172 N 1.21 0.68 0.32 -0.43 2.35 -0.56 -0.78 115.58 118.37 3g4a h ASN 172 Ca 0.32 0.05 -0.32 0.00 -0.55 0.00 0.00 56.30 55.79 3g4a h ASN 172 Cb -0.05 -0.08 -0.05 0.00 0.05 0.00 0.00 38.32 38.18 3g4a h ASN 172 CO -0.06 0.39 -1.94 0.18 -1.65 0.00 0.00 177.43 174.36 3g4a n LEU 173 N -4.74 0.82 -0.10 1.61 4.77 -0.65 -4.01 117.00 114.71 3g4a n LEU 173 Ca 0.14 0.27 -0.12 0.00 -0.03 0.00 0.00 56.01 56.27 3g4a n LEU 173 Cb 0.27 0.14 -0.12 0.00 -2.33 0.00 0.00 43.42 41.38 3g4a n LEU 173 CO 0.27 0.47 -1.15 0.54 -1.33 0.00 0.00 177.39 176.19 3g4a n ARG 174 N -3.00 0.86 -1.42 3.23 5.12 0.92 -4.40 116.66 117.97 3g4a n ARG 174 Ca -0.23 0.06 -0.40 0.00 -1.93 0.00 0.00 57.85 55.35 3g4a n ARG 174 Cb 1.08 -1.45 -0.02 0.00 -1.16 0.00 0.00 32.46 30.91 3g4a n ARG 174 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3g4a n ALA 175 N -2.89 7.22 -3.35 7.54 0.00 -0.30 -3.87 120.51 124.85 3g4a n ALA 175 Ca -0.34 -3.62 -0.14 0.00 0.00 0.00 0.00 53.44 49.34 3g4a n ALA 175 Cb 0.99 -3.37 -0.09 0.00 0.00 0.00 0.00 19.45 16.99 3g4a n ALA 175 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3g4a s ASP 176 N 2.22 -0.42 0.00 0.00 2.15 -1.26 -3.88 116.67 115.48 3g4a s ASP 176 Ca 0.65 0.64 0.09 0.00 0.43 0.00 0.00 52.55 54.36 3g4a s ASP 176 Cb 0.17 0.69 0.38 0.00 -0.30 0.00 0.00 42.92 43.86 3g4a s ASP 176 CO -0.07 -0.32 1.25 -1.54 -0.17 0.00 0.00 175.17 174.32 3g4a n SER 177 N 2.04 0.00 0.07 -0.34 3.41 -1.26 -1.72 113.62 115.82 3g4a n SER 177 Ca -0.17 0.43 -0.03 0.00 -0.26 0.00 0.00 58.87 58.84 3g4a n SER 177 Cb 0.57 -0.46 -0.07 0.00 -0.26 0.00 0.00 64.21 63.99 3g4a n SER 177 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 3g4a h HIS 178 N 0.00 0.00 -4.27 7.33 3.86 -1.94 -3.46 115.15 116.67 3g4a h HIS 178 Ca 0.00 0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.70 3g4a h HIS 178 Cb 0.13 0.00 0.12 0.00 1.06 0.00 0.00 27.41 28.72 3g4a h HIS 178 CO 0.00 0.76 0.34 0.00 0.86 0.00 0.00 177.93 179.89 3g4a s ALA 179 N -2.81 2.34 0.31 2.45 0.00 -0.70 -4.96 121.76 118.38 3g4a s ALA 179 Ca 0.01 0.37 -0.29 0.00 0.00 0.00 0.00 51.96 52.05 3g4a s ALA 179 Cb 0.09 -3.29 -0.11 0.00 0.00 0.00 0.00 23.12 19.81 3g4a s ALA 179 CO 0.79 -1.58 1.52 -1.14 0.00 0.00 0.00 175.76 175.36 3g4a s GLN 180 N -4.59 4.16 0.27 0.00 0.74 -1.26 -4.77 119.66 114.21 3g4a s GLN 180 Ca 0.63 2.50 -0.03 0.00 0.05 0.00 0.00 55.36 58.52 3g4a s GLN 180 Cb -0.18 -3.03 0.58 0.00 1.10 0.00 0.00 33.01 31.48 3g4a s GLN 180 CO 0.50 -0.54 1.62 2.35 -0.55 0.00 0.00 175.29 178.67 3g4a h TRP 181 N 4.31 0.02 -0.45 1.67 7.01 -1.93 -0.11 115.95 126.46 3g4a h TRP 181 Ca -0.48 0.06 0.08 0.00 2.11 0.00 0.00 58.89 60.66 3g4a h TRP 181 Cb 1.22 0.13 -0.06 0.00 -2.10 0.00 0.00 29.16 28.35 3g4a h TRP 181 CO 0.57 -0.29 0.07 0.93 -2.79 0.00 0.00 178.44 176.93 3g4a h GLU 182 N 0.10 0.19 -0.00 2.65 3.07 -2.00 -1.73 114.58 116.86 3g4a h GLU 182 Ca 0.49 -0.01 -0.14 0.00 -0.50 0.00 0.00 59.36 59.20 3g4a h GLU 182 Cb 0.94 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.78 3g4a h GLU 182 CO -0.74 0.13 -0.68 0.97 -1.40 0.00 0.00 179.01 177.29 3g4a h ILE 183 N 0.20 1.48 -0.93 3.13 2.10 -1.45 -2.72 117.51 119.32 3g4a h ILE 183 Ca 0.22 -2.30 0.14 0.00 1.08 0.00 0.00 64.86 64.00 3g4a h ILE 183 Cb 0.30 2.24 -0.09 0.00 -1.09 0.00 0.00 36.82 38.18 3g4a h ILE 183 CO -0.31 0.66 0.55 1.56 -1.08 0.00 0.00 178.15 179.53 3g4a h GLN 184 N 0.01 0.78 -0.53 2.19 4.20 -0.30 -0.61 115.11 120.85 3g4a h GLN 184 Ca -0.01 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 3g4a h GLN 184 Cb 1.20 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.78 3g4a h GLN 184 CO 0.09 0.51 0.24 1.96 -0.67 0.00 0.00 178.83 180.96 3g4a h GLN 185 N 0.80 0.78 -0.48 1.46 1.08 -1.07 -0.67 115.11 117.02 3g4a h GLN 185 Ca 0.49 -0.12 -0.03 0.00 -1.45 0.00 0.00 58.65 57.54 3g4a h GLN 185 Cb 0.62 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.90 3g4a h GLN 185 CO -0.32 0.66 0.17 1.88 -0.95 0.00 0.00 178.83 180.27 3g4a h TYR 186 N 0.72 0.69 -0.00 2.96 0.05 -1.39 -2.67 116.97 117.32 3g4a h TYR 186 Ca 0.18 -0.03 -0.15 0.00 0.05 0.00 0.00 58.73 58.78 3g4a h TYR 186 Cb 0.15 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.66 3g4a h TYR 186 CO -0.00 0.55 -0.69 0.00 -1.05 0.00 0.00 178.16 176.97 3g4a h ALA 187 N 1.52 0.85 -0.72 3.88 0.00 -0.44 -1.45 119.26 122.90 3g4a h ALA 187 Ca 0.16 -0.63 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 3g4a h ALA 187 Cb 0.16 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3g4a h ALA 187 CO -0.01 0.86 0.20 -0.07 0.00 0.00 0.00 179.25 180.23 3g4a h LEU 188 N 0.01 1.07 -0.39 0.00 3.38 -0.80 -1.21 115.31 117.37 3g4a h LEU 188 Ca -0.01 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.64 3g4a h LEU 188 Cb 1.22 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 3g4a h LEU 188 CO 0.09 1.01 -0.16 0.00 0.09 0.00 0.00 178.44 179.47 3g4a h ALA 189 N 1.12 0.55 -0.84 1.53 0.00 -1.32 -1.43 119.26 118.88 3g4a h ALA 189 Ca 0.23 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.82 3g4a h ALA 189 Cb 0.34 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 3g4a h ALA 189 CO -0.00 0.47 0.54 0.82 0.00 0.00 0.00 179.25 181.08 3g4a h ILE 190 N 0.61 1.14 -0.64 0.00 1.08 -1.12 -2.05 117.51 116.52 3g4a h ILE 190 Ca 0.09 -0.36 -0.05 0.00 -0.39 0.00 0.00 64.86 64.15 3g4a h ILE 190 Cb 0.70 -0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.42 3g4a h ILE 190 CO 0.05 0.19 0.21 0.00 -0.69 0.00 0.00 178.15 177.91 3g4a h ALA 191 N 1.35 0.84 -0.50 1.87 0.00 -0.99 -1.08 119.26 120.74 3g4a h ALA 191 Ca 0.33 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3g4a h ALA 191 Cb 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3g4a h ALA 191 CO -0.11 0.50 0.23 -0.09 0.00 0.00 0.00 179.25 179.78 3g4a h ARG 192 N 0.92 0.73 -0.66 0.00 1.12 -1.00 0.37 114.38 115.87 3g4a h ARG 192 Ca 0.21 -0.12 -0.08 0.00 -1.11 0.00 0.00 59.98 58.88 3g4a h ARG 192 Cb 0.28 -0.13 -0.03 0.00 -0.01 0.00 0.00 29.97 30.09 3g4a h ARG 192 CO -0.01 0.62 0.09 0.82 -3.11 0.00 0.00 179.97 178.39 3g4a h ILE 193 N 0.66 1.26 -0.47 1.20 2.04 -1.14 -2.52 117.51 118.55 3g4a h ILE 193 Ca 0.17 -1.05 -0.02 0.00 1.00 0.00 0.00 64.86 64.96 3g4a h ILE 193 Cb 0.15 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 3g4a h ILE 193 CO -0.02 0.39 0.21 0.15 0.00 0.00 0.00 178.15 178.88 3g4a h PHE 194 N 1.02 0.69 -0.51 1.37 3.57 -0.95 -1.98 116.94 120.14 3g4a h PHE 194 Ca 0.20 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 3g4a h PHE 194 Cb 0.45 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 3g4a h PHE 194 CO 0.03 0.57 0.16 -0.22 -2.23 0.00 0.00 178.31 176.62 3g4a h LYS 195 N 0.62 0.76 -0.14 1.11 3.64 -0.85 0.15 116.57 121.86 3g4a h LYS 195 Ca 0.16 -0.13 -0.21 0.00 -1.27 0.00 0.00 60.65 59.19 3g4a h LYS 195 Cb 0.15 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3g4a h LYS 195 CO -0.02 0.66 -0.76 0.93 -2.27 0.00 0.00 179.45 177.99 3g4a h GLU 196 N 0.74 0.70 0.05 1.90 3.07 -1.18 -2.75 114.58 117.11 3g4a h GLU 196 Ca 0.17 -0.56 -0.25 0.00 -0.50 0.00 0.00 59.36 58.21 3g4a h GLU 196 Cb 0.22 0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.23 3g4a h GLU 196 CO -0.01 1.18 -1.23 0.87 -1.40 0.00 0.00 179.01 178.42 3g4a h LYS 197 N 0.48 0.11 -2.05 2.33 1.79 -1.19 -3.41 116.57 114.64 3g4a h LYS 197 Ca -0.05 -0.19 -0.50 0.00 -2.18 0.00 0.00 60.65 57.73 3g4a h LYS 197 Cb 1.38 0.07 -0.40 0.00 -1.58 0.00 0.00 32.23 31.69 3g4a h LYS 197 CO 0.15 1.02 -1.10 0.00 -1.08 0.00 0.00 179.45 178.45 3g4a h PRO 199 N 3.00 1.14 -0.33 0.00 0.13 -1.66 -0.07 132.00 134.20 3g4a h PRO 199 Ca 0.10 -0.07 -0.05 0.00 -0.87 0.00 0.00 66.00 65.12 3g4a h PRO 199 Cb 0.88 -0.26 -0.01 0.00 0.13 0.00 0.00 31.00 31.74 3g4a h PRO 199 CO 0.56 0.75 0.01 -1.49 -0.23 0.00 0.00 178.00 177.61 3g4a h TRP 200 N 1.17 0.63 -0.48 1.56 6.55 -1.94 -0.77 115.95 122.67 3g4a h TRP 200 Ca 0.39 -0.11 -0.05 0.00 0.95 0.00 0.00 58.89 60.08 3g4a h TRP 200 Cb 0.06 -0.17 -0.02 0.00 -0.86 0.00 0.00 29.16 28.17 3g4a h TRP 200 CO -0.00 0.69 0.12 1.15 -1.05 0.00 0.00 178.44 179.34 3g4a h THR 201 N 0.39 1.24 0.16 1.49 2.02 -1.84 -2.06 112.91 114.32 3g4a h THR 201 Ca 0.10 -0.83 -0.01 0.00 0.77 0.00 0.00 66.41 66.44 3g4a h THR 201 Cb 0.43 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 3g4a h THR 201 CO 0.01 0.30 -0.08 0.15 0.37 0.00 0.00 175.52 176.27 3g4a h PHE 202 N 0.65 -0.20 -0.73 3.16 3.57 -0.93 0.54 116.94 122.99 3g4a h PHE 202 Ca 0.15 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 3g4a h PHE 202 Cb 0.33 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 3g4a h PHE 202 CO 0.02 -0.06 0.31 0.93 -2.23 0.00 0.00 178.31 177.28 3g4a h GLU 203 N -0.30 1.06 -0.52 1.11 4.39 -1.15 -0.67 114.58 118.50 3g4a h GLU 203 Ca -0.02 -0.17 -0.11 0.00 0.34 0.00 0.00 59.36 59.40 3g4a h GLU 203 Cb 0.23 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 3g4a h GLU 203 CO 0.04 0.85 -0.12 0.00 -1.16 0.00 0.00 179.01 178.61 3g4a h ALA 204 N 1.30 0.71 0.32 3.43 0.00 -1.21 -1.37 119.26 122.44 3g4a h ALA 204 Ca 0.25 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3g4a h ALA 204 Cb 0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3g4a h ALA 204 CO -0.03 0.63 -0.25 0.35 0.00 0.00 0.00 179.25 179.95 3g4a h PHE 205 N 0.86 -0.67 -0.86 0.00 3.57 -0.36 0.83 116.94 120.31 3g4a h PHE 205 Ca 0.13 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.73 3g4a h PHE 205 Cb 0.69 0.25 -0.07 0.00 2.79 0.00 0.00 35.95 39.61 3g4a h PHE 205 CO 0.05 -0.38 0.50 -0.07 -2.23 0.00 0.00 178.31 176.18 3g4a h LEU 206 N -0.58 0.74 -0.28 0.59 3.38 -1.05 0.28 115.31 118.38 3g4a h LEU 206 Ca -0.02 0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.79 3g4a h LEU 206 Cb 0.51 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3g4a h LEU 206 CO -0.02 0.42 -0.77 0.50 0.09 0.00 0.00 178.44 178.66 3g4a h LYS 207 N 0.85 0.56 0.00 1.13 3.64 -0.96 -3.40 116.57 118.38 3g4a h LYS 207 Ca 0.41 -0.47 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 3g4a h LYS 207 Cb 0.36 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 3g4a h LYS 207 CO -0.24 1.10 -1.14 0.66 -2.27 0.00 0.00 179.45 177.55 3g4a n TYR 208 N -3.87 0.00 -0.00 1.91 4.01 0.26 -4.92 117.16 114.54 3g4a n TYR 208 Ca -0.06 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.68 3g4a n TYR 208 Cb 0.74 -0.10 -0.01 0.00 -0.31 0.00 0.00 39.34 39.66 3g4a n TYR 208 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3g4a n ALA 209 N -2.22 1.98 -1.96 -0.72 0.00 0.23 -4.82 120.51 113.01 3g4a n ALA 209 Ca -0.04 -0.06 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 3g4a n ALA 209 Cb 0.56 0.25 -0.03 0.00 0.00 0.00 0.00 19.45 20.23 3g4a n ALA 209 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3g4a s TYR 210 N -2.02 3.08 -0.26 0.00 5.04 0.72 -4.93 117.35 118.98 3g4a s TYR 210 Ca -0.01 0.80 0.16 0.00 -2.44 0.00 0.00 57.07 55.59 3g4a s TYR 210 Cb 0.00 -3.85 -0.22 0.00 0.35 0.00 0.00 41.96 38.24 3g4a s TYR 210 CO 0.04 -3.01 0.45 1.63 -1.34 0.00 0.00 175.55 173.32 3g4a n LYS 211 N 3.48 0.94 -1.19 4.97 4.01 -1.26 -4.97 118.16 124.14 3g4a n LYS 211 Ca 0.11 -0.10 -0.30 0.00 -0.51 0.00 0.00 58.31 57.51 3g4a n LYS 211 Cb 0.40 -1.33 0.25 0.00 -0.51 0.00 0.00 35.03 33.83 3g4a n LYS 211 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 3g4a s GLY 212 N -3.39 1.62 -0.17 0.72 0.00 -1.26 -5.05 107.32 99.81 3g4a s GLY 212 Ca -0.02 -1.12 -0.05 0.00 0.00 0.00 0.00 44.72 43.52 3g4a s GLY 212 CO 0.66 -0.19 -0.19 2.09 0.00 0.00 0.00 173.10 175.46 3g4a n ASP 213 N -4.74 1.73 -0.33 1.64 5.68 -1.26 -4.85 116.55 114.42 3g4a n ASP 213 Ca 0.15 0.11 -0.04 0.00 -0.50 0.00 0.00 54.79 54.51 3g4a n ASP 213 Cb 0.60 -0.42 0.08 0.00 -1.14 0.00 0.00 41.12 40.25 3g4a n ASP 213 CO 0.00 0.00 0.00 0.16 -1.33 0.00 0.00 177.20 176.03 3g4a h ILE 214 N -0.40 1.26 0.00 2.12 3.07 -1.94 -2.73 117.51 118.89 3g4a h ILE 214 Ca -0.41 -0.66 0.00 0.00 1.55 0.00 0.00 64.86 65.34 3g4a h ILE 214 Cb 1.44 0.07 0.00 0.00 -0.27 0.00 0.00 36.82 38.06 3g4a h ILE 214 CO -0.19 0.30 0.00 -0.07 -1.05 0.00 0.00 178.15 177.14 3g4a h LEU 215 N 1.25 0.00 0.00 0.16 3.38 -1.84 0.22 115.31 118.48 3g4a h LEU 215 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3g4a h LEU 215 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3g4a h LEU 215 CO -0.05 0.00 -0.41 0.11 0.09 0.00 0.00 178.44 178.18 3g4a h LYS 216 N 0.00 0.00 0.06 1.13 1.57 -1.82 -3.37 116.57 114.14 3g4a h LYS 216 Ca 0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.41 3g4a h LYS 216 Cb 0.13 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 3g4a h LYS 216 CO 0.00 0.00 -2.22 0.39 -0.57 0.00 0.00 179.45 177.05 3g4a n GLU 217 N -2.65 0.70 -3.87 3.15 -0.58 0.54 -4.93 120.64 113.02 3g4a n GLU 217 Ca 0.03 0.20 -0.36 0.00 -0.42 0.00 0.00 57.16 56.61 3g4a n GLU 217 Cb 0.50 -1.62 -0.13 0.00 -0.57 0.00 0.00 31.44 29.62 3g4a n GLU 217 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3g4a s VAL 218 N -2.54 3.27 -1.74 2.62 1.01 0.08 -5.13 120.40 117.97 3g4a s VAL 218 Ca -0.27 -1.15 0.00 0.00 0.00 0.00 0.00 61.98 60.56 3g4a s VAL 218 Cb 0.08 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.66 3g4a s VAL 218 CO 0.70 -0.02 0.43 0.00 0.00 0.00 0.00 175.10 176.21