#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h3a s GLN 2 N 0.00 4.44 -0.01 2.12 0.74 -1.26 -4.93 119.66 120.76 3h3a s GLN 2 Ca 0.00 1.58 0.17 0.00 0.05 0.00 0.00 55.36 57.17 3h3a s GLN 2 Cb 0.00 -3.47 -0.19 0.00 1.10 0.00 0.00 33.01 30.45 3h3a s GLN 2 CO 0.00 -0.27 0.62 -0.89 -0.55 0.00 0.00 175.29 174.20 3h3a n ILE 3 N 4.24 1.13 -4.56 -2.34 5.41 -1.26 -4.82 119.36 117.16 3h3a n ILE 3 Ca 0.09 -0.71 -0.29 0.00 1.00 0.00 0.00 62.75 62.83 3h3a n ILE 3 Cb 0.48 -0.63 -0.13 0.00 -0.71 0.00 0.00 39.64 38.64 3h3a n ILE 3 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 3h3a s PHE 4 N -2.88 2.35 -0.04 1.39 0.40 -1.26 -1.87 117.98 116.08 3h3a s PHE 4 Ca -0.05 -0.37 -0.23 0.00 -0.60 0.00 0.00 56.93 55.68 3h3a s PHE 4 Cb 0.09 -1.32 0.05 0.00 0.51 0.00 0.00 43.02 42.35 3h3a s PHE 4 CO 0.83 0.27 0.50 0.50 0.70 0.00 0.00 175.22 178.02 3h3a s ARG 5 N -1.78 0.85 -1.17 0.44 3.52 -1.12 -4.98 118.95 114.71 3h3a s ARG 5 Ca 0.14 0.09 -0.10 0.00 -0.13 0.00 0.00 55.73 55.72 3h3a s ARG 5 Cb -0.10 0.39 0.23 0.00 -1.56 0.00 0.00 34.95 33.91 3h3a s ARG 5 CO 0.05 -0.24 1.37 -3.47 -0.81 0.00 0.00 175.30 172.20 3h3a n ASP 6 N 1.22 5.45 -0.23 -2.12 -0.08 -1.26 -0.93 116.55 118.59 3h3a n ASP 6 Ca -0.20 -3.06 0.00 0.00 -1.51 0.00 0.00 54.79 50.02 3h3a n ASP 6 Cb 0.56 -1.46 0.00 0.00 2.34 0.00 0.00 41.12 42.57 3h3a n ASP 6 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 3h3a n VAL 7 N 3.41 0.00 -0.27 5.18 0.24 -1.05 -4.09 118.33 121.74 3h3a n VAL 7 Ca 0.31 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.64 3h3a n VAL 7 Cb 0.40 -0.24 0.16 0.00 -1.47 0.00 0.00 33.84 32.69 3h3a n VAL 7 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 3h3a h SER 8 N 0.06 0.56 -0.31 -1.34 0.87 -1.86 0.16 113.55 111.69 3h3a h SER 8 Ca 0.00 0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.59 3h3a h SER 8 Cb 0.20 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 3h3a h SER 8 CO 0.00 0.31 0.09 0.07 -0.53 0.00 0.00 176.83 176.76 3h3a h LYS 9 N 0.68 0.49 -0.43 2.24 2.10 -1.93 -3.05 116.57 116.68 3h3a h LYS 9 Ca 0.39 -0.11 0.01 0.00 -2.00 0.00 0.00 60.65 58.94 3h3a h LYS 9 Cb 0.41 -0.07 -0.02 0.00 -0.90 0.00 0.00 32.23 31.65 3h3a h LYS 9 CO -0.27 0.55 0.28 1.25 -2.00 0.00 0.00 179.45 179.25 3h3a h LEU 10 N 0.34 0.46 0.72 7.07 5.85 -1.61 -2.22 115.31 125.92 3h3a h LEU 10 Ca 0.10 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 3h3a h LEU 10 Cb 0.27 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.19 3h3a h LEU 10 CO -0.00 0.33 -0.35 -0.07 -0.34 0.00 0.00 178.44 178.01 3h3a h LEU 11 N 0.54 -0.82 -1.18 2.25 3.38 -0.89 -0.97 115.31 117.63 3h3a h LEU 11 Ca 0.16 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 3h3a h LEU 11 Cb -0.01 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3h3a h LEU 11 CO -0.04 -0.59 -0.22 -0.37 0.09 0.00 0.00 178.44 177.32 3h3a h VAL 12 N -0.97 1.23 0.34 1.22 -1.51 -1.49 0.09 116.25 115.16 3h3a h VAL 12 Ca -0.10 -1.07 -0.02 0.00 -1.23 0.00 0.00 66.70 64.28 3h3a h VAL 12 Cb 0.74 1.34 0.00 0.00 -2.13 0.00 0.00 31.29 31.25 3h3a h VAL 12 CO 0.16 0.33 -0.16 -0.33 -1.23 0.00 0.00 177.57 176.34 3h3a h GLU 13 N 0.28 -0.44 0.00 5.19 5.08 -1.35 -3.39 114.58 119.94 3h3a h GLU 13 Ca 0.05 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3h3a h GLU 13 Cb 0.54 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3h3a h GLU 13 CO 0.04 -0.17 -0.04 0.00 -1.00 0.00 0.00 179.01 177.84 3h3a h ARG 14 N -0.69 0.00 -6.52 2.33 -0.00 -1.02 -3.47 114.38 105.01 3h3a h ARG 14 Ca -0.05 0.00 -0.53 0.00 -0.50 0.00 0.00 59.98 58.91 3h3a h ARG 14 Cb 0.48 0.00 0.04 0.00 0.00 0.00 0.00 29.97 30.49 3h3a h ARG 14 CO 0.08 0.00 1.05 0.08 0.00 0.00 0.00 179.97 181.18 3h3a s VAL 15 N -1.55 2.61 0.39 2.04 1.01 0.00 -4.93 120.40 119.97 3h3a s VAL 15 Ca -0.01 0.19 -0.23 0.00 0.00 0.00 0.00 61.98 61.92 3h3a s VAL 15 Cb 0.00 -3.12 -0.13 0.00 0.00 0.00 0.00 36.38 33.13 3h3a s VAL 15 CO 0.02 0.00 0.54 -0.67 0.00 0.00 0.00 175.10 175.00 3h3a n ASP 16 N 5.32 -0.90 -0.11 3.32 -0.08 -1.26 -4.60 116.55 118.24 3h3a n ASP 16 Ca 0.17 0.94 -0.08 0.00 -1.51 0.00 0.00 54.79 54.31 3h3a n ASP 16 Cb 0.38 -1.10 -0.00 0.00 2.34 0.00 0.00 41.12 42.75 3h3a n ASP 16 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3h3a h PRO 17 N 0.87 0.44 -0.83 -0.67 0.11 -1.92 0.54 132.00 130.54 3h3a h PRO 17 Ca -0.39 -0.03 0.10 0.00 0.11 0.00 0.00 66.00 65.79 3h3a h PRO 17 Cb 1.40 -0.10 -0.06 0.00 0.11 0.00 0.00 31.00 32.35 3h3a h PRO 17 CO 0.52 0.29 0.54 -0.22 -0.21 0.00 0.00 178.00 178.92 3h3a h LYS 18 N 0.45 0.76 -0.00 1.05 3.64 -2.00 0.11 116.57 120.58 3h3a h LYS 18 Ca 0.14 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 3h3a h LYS 18 Cb -0.02 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.62 3h3a h LYS 18 CO -0.05 0.50 -0.03 0.82 -2.27 0.00 0.00 179.45 178.42 3h3a h ILE 19 N 0.78 1.55 -0.77 2.00 2.04 -1.81 -3.21 117.51 118.09 3h3a h ILE 19 Ca 0.38 -1.67 0.15 0.00 1.00 0.00 0.00 64.86 64.72 3h3a h ILE 19 Cb 0.43 2.67 -0.15 0.00 -0.74 0.00 0.00 36.82 39.04 3h3a h ILE 19 CO -0.15 0.44 -0.21 -0.07 0.00 0.00 0.00 178.15 178.16 3h3a h LEU 20 N -0.66 -0.77 -2.10 1.44 3.38 0.08 1.44 115.31 118.13 3h3a h LEU 20 Ca -0.00 0.24 0.08 0.00 0.09 0.00 0.00 57.88 58.28 3h3a h LEU 20 Cb 0.73 0.49 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 3h3a h LEU 20 CO 0.01 -0.26 0.23 0.78 0.09 0.00 0.00 178.44 179.29 3h3a h ASN 21 N -0.01 0.00 0.14 -0.43 -0.26 -0.92 0.39 115.58 114.49 3h3a h ASN 21 Ca 0.37 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 56.10 3h3a h ASN 21 Cb 0.57 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.83 3h3a h ASN 21 CO -0.80 0.00 -0.07 -0.07 -1.06 0.00 0.00 177.43 175.43 3h3a h LEU 22 N 0.00 -0.16 -0.37 1.61 3.38 0.19 0.67 115.31 120.63 3h3a h LEU 22 Ca 0.13 -0.38 0.06 0.00 0.09 0.00 0.00 57.88 57.78 3h3a h LEU 22 Cb 0.60 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.33 3h3a h LEU 22 CO -0.00 0.37 0.03 -0.26 0.09 0.00 0.00 178.44 178.67 3h3a h PHE 23 N -0.77 0.04 -0.41 1.13 0.04 -0.11 0.72 116.94 117.60 3h3a h PHE 23 Ca -0.02 0.03 0.07 0.00 2.80 0.00 0.00 57.97 60.84 3h3a h PHE 23 Cb 0.53 0.04 -0.06 0.00 2.20 0.00 0.00 35.95 38.66 3h3a h PHE 23 CO 0.09 -0.03 0.06 0.00 -0.60 0.00 0.00 178.31 177.83 3h3a h ARG 24 N 0.14 0.18 -0.13 1.51 3.08 -0.27 -0.35 114.38 118.55 3h3a h ARG 24 Ca 0.18 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.18 3h3a h ARG 24 Cb 0.23 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 3h3a h ARG 24 CO -0.27 0.12 -0.06 -0.07 -1.07 0.00 0.00 179.97 178.62 3h3a h LEU 25 N 0.19 0.27 -1.24 3.04 3.38 0.08 -2.08 115.31 118.95 3h3a h LEU 25 Ca 0.20 -0.41 0.08 0.00 0.09 0.00 0.00 57.88 57.83 3h3a h LEU 25 Cb 0.25 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 3h3a h LEU 25 CO -0.27 0.62 0.55 -0.07 0.09 0.00 0.00 178.44 179.36 3h3a h LEU 26 N -0.08 0.79 0.06 1.67 3.38 0.70 0.90 115.31 122.72 3h3a h LEU 26 Ca 0.03 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3h3a h LEU 26 Cb 0.52 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3h3a h LEU 26 CO 0.02 0.50 -0.03 1.23 0.09 0.00 0.00 178.44 180.25 3h3a h GLY 27 N 0.89 -0.08 0.61 0.83 0.00 -0.92 -0.23 103.07 104.18 3h3a h GLY 27 Ca 0.37 0.03 0.06 0.00 0.00 0.00 0.00 47.33 47.79 3h3a h GLY 27 CO -0.14 -0.03 0.27 1.70 0.00 0.00 0.00 176.54 178.34 3h3a h LYS 28 N -0.28 0.49 -0.82 4.80 3.11 -0.56 -0.03 116.57 123.28 3h3a h LYS 28 Ca -0.01 -0.03 0.08 0.00 -2.81 0.00 0.00 60.65 57.88 3h3a h LYS 28 Cb 0.24 -0.11 -0.05 0.00 -1.00 0.00 0.00 32.23 31.31 3h3a h LYS 28 CO 0.01 0.32 0.54 0.74 -2.81 0.00 0.00 179.45 178.25 3h3a h PHE 29 N 0.50 0.89 0.16 1.91 0.05 -0.59 0.53 116.94 120.40 3h3a h PHE 29 Ca 0.26 0.02 0.01 0.00 3.82 0.00 0.00 57.97 62.09 3h3a h PHE 29 Cb 0.22 -0.29 -0.04 0.00 2.00 0.00 0.00 35.95 37.84 3h3a h PHE 29 CO -0.12 0.45 -0.50 0.78 -0.18 0.00 0.00 178.31 178.74 3h3a h GLY 30 N 0.86 -1.08 0.45 -1.45 0.00 0.84 -2.21 103.07 100.47 3h3a h GLY 30 Ca 0.36 0.60 0.08 0.00 0.00 0.00 0.00 47.33 48.37 3h3a h GLY 30 CO -0.14 -0.28 0.20 -0.55 0.00 0.00 0.00 176.54 175.78 3h3a h ASP 31 N -0.76 0.20 -0.86 0.19 3.32 -0.46 0.33 116.42 118.38 3h3a h ASP 31 Ca -0.00 0.07 0.15 0.00 0.02 0.00 0.00 57.03 57.27 3h3a h ASP 31 Cb 0.76 0.05 -0.07 0.00 0.22 0.00 0.00 39.33 40.29 3h3a h ASP 31 CO -0.25 0.13 0.56 -0.33 -1.72 0.00 0.00 179.24 177.63 3h3a h GLU 32 N 0.38 0.59 -0.40 3.56 5.08 -0.57 -1.97 114.58 121.25 3h3a h GLU 32 Ca 0.28 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3h3a h GLU 32 Cb 0.32 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3h3a h GLU 32 CO -0.28 0.39 0.00 1.33 -1.00 0.00 0.00 179.01 179.45 3h3a n VAL 33 N -4.54 1.25 -3.29 3.13 0.24 -0.80 -5.01 118.33 109.31 3h3a n VAL 33 Ca 0.17 -1.14 -0.17 0.00 -2.04 0.00 0.00 64.34 61.16 3h3a n VAL 33 Cb 0.50 0.36 0.07 0.00 -1.47 0.00 0.00 33.84 33.30 3h3a n VAL 33 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3h3a n ASN 34 N 0.54 -4.05 -3.96 -1.34 4.05 0.02 -5.05 115.26 105.45 3h3a n ASN 34 Ca 0.15 -0.46 -0.27 0.00 0.45 0.00 0.00 54.58 54.45 3h3a n ASN 34 Cb 0.55 -4.20 -0.17 0.00 1.23 0.00 0.00 39.78 37.19 3h3a n ASN 34 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 177.26 174.17 3h3a s MET 35 N -5.65 1.72 0.26 1.20 -1.94 -0.65 -4.94 119.30 109.30 3h3a s MET 35 Ca 0.27 -0.36 -0.30 0.00 -1.71 0.00 0.00 55.69 53.60 3h3a s MET 35 Cb -0.12 -1.62 -0.14 0.00 2.01 0.00 0.00 34.83 34.96 3h3a s MET 35 CO 0.59 -0.16 1.24 -2.30 -0.01 0.00 0.00 175.02 174.38 3h3a n PRO 36 N 4.54 1.74 -4.76 2.03 -0.02 -1.25 -4.29 135.00 132.99 3h3a n PRO 36 Ca -0.17 0.62 -0.28 0.00 -2.02 0.00 0.00 63.50 61.65 3h3a n PRO 36 Cb 0.51 -2.16 -0.17 0.00 -0.02 0.00 0.00 33.50 31.66 3h3a n PRO 36 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3h3a s VAL 37 N -0.57 1.56 0.03 -1.45 1.01 -1.26 -1.69 120.40 118.03 3h3a s VAL 37 Ca 0.64 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.95 3h3a s VAL 37 Cb -0.68 -1.39 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 3h3a s VAL 37 CO 0.56 0.45 -0.14 -0.31 0.00 0.00 0.00 175.10 175.65 3h3a s TYR 38 N 0.65 1.24 -0.07 5.22 1.51 -0.10 -0.09 117.35 125.70 3h3a s TYR 38 Ca -0.14 -0.32 -0.07 0.00 -1.01 0.00 0.00 57.07 55.53 3h3a s TYR 38 Cb -0.16 -0.75 -0.04 0.00 -0.11 0.00 0.00 41.96 40.89 3h3a s TYR 38 CO 0.04 0.02 0.19 0.54 -1.11 0.00 0.00 175.55 175.23 3h3a s VAL 39 N -0.70 5.42 0.24 0.71 0.11 -0.27 -1.22 120.40 124.69 3h3a s VAL 39 Ca 0.03 0.21 -0.04 0.00 -2.93 0.00 0.00 61.98 59.25 3h3a s VAL 39 Cb -0.07 -3.47 -0.02 0.00 -1.53 0.00 0.00 36.38 31.28 3h3a s VAL 39 CO 0.01 0.54 0.29 0.68 -3.33 0.00 0.00 175.10 173.28 3h3a s VAL 40 N -1.11 0.00 0.00 2.04 -7.23 -0.79 -1.46 120.40 111.85 3h3a s VAL 40 Ca 0.19 -1.77 0.00 0.00 -1.81 0.00 0.00 61.98 58.59 3h3a s VAL 40 Cb -0.13 -2.42 0.00 0.00 0.56 0.00 0.00 36.38 34.39 3h3a s VAL 40 CO 0.09 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.49 3h3a n GLY 41 N -0.36 1.06 0.18 2.32 0.00 -1.25 -4.00 105.19 103.14 3h3a n GLY 41 Ca 0.01 -0.62 0.14 0.00 0.00 0.00 0.00 46.02 45.55 3h3a n GLY 41 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3h3a h GLY 42 N 0.00 0.00 0.38 -0.02 0.00 -1.91 -2.68 103.07 98.84 3h3a h GLY 42 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3h3a h GLY 42 CO 0.00 0.00 -0.06 -2.75 0.00 0.00 0.00 176.54 173.73 3h3a h PHE 43 N 0.00 -0.17 -0.59 5.60 3.57 -1.85 -0.80 116.94 122.71 3h3a h PHE 43 Ca 0.00 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.57 3h3a h PHE 43 Cb 0.54 0.05 -0.10 0.00 2.79 0.00 0.00 35.95 39.23 3h3a h PHE 43 CO 0.00 0.31 -0.49 0.28 -2.23 0.00 0.00 178.31 176.18 3h3a h VAL 44 N -0.81 0.05 -0.49 1.41 2.07 -1.71 0.14 116.25 116.91 3h3a h VAL 44 Ca -0.02 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.60 3h3a h VAL 44 Cb 0.54 0.05 -0.10 0.00 -1.52 0.00 0.00 31.29 30.26 3h3a h VAL 44 CO 0.03 0.00 -0.28 -0.09 0.02 0.00 0.00 177.57 177.25 3h3a h ARG 45 N -0.25 -0.16 -0.22 1.57 2.43 -1.55 -2.29 114.38 113.92 3h3a h ARG 45 Ca 0.15 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.26 3h3a h ARG 45 Cb 0.56 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.14 3h3a h ARG 45 CO -0.70 -0.11 -0.16 -0.44 -1.51 0.00 0.00 179.97 177.05 3h3a h ASP 46 N -0.16 0.52 -0.90 -3.80 3.32 0.45 -2.07 116.42 113.78 3h3a h ASP 46 Ca 0.22 -0.45 0.18 0.00 0.02 0.00 0.00 57.03 57.00 3h3a h ASP 46 Cb 0.51 -0.15 -0.11 0.00 0.22 0.00 0.00 39.33 39.81 3h3a h ASP 46 CO -0.59 0.86 0.47 0.25 -1.72 0.00 0.00 179.24 178.51 3h3a h LEU 47 N 0.19 0.54 -0.90 1.55 5.85 -0.71 -0.00 115.31 121.83 3h3a h LEU 47 Ca 0.04 0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.79 3h3a h LEU 47 Cb 0.69 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 3h3a h LEU 47 CO 0.04 0.17 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.12 3h3a h LEU 48 N 0.59 0.67 -1.21 2.25 3.38 -1.01 -2.83 115.31 117.15 3h3a h LEU 48 Ca 0.53 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3h3a h LEU 48 Cb 0.85 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3h3a h LEU 48 CO -0.42 0.82 0.00 0.18 0.09 0.00 0.00 178.44 179.11 3h3a n LEU 49 N -4.17 1.82 -0.04 1.67 4.77 -0.34 -4.91 117.00 115.80 3h3a n LEU 49 Ca 0.01 -0.77 -0.01 0.00 -0.03 0.00 0.00 56.01 55.21 3h3a n LEU 49 Cb 0.35 -0.13 -0.00 0.00 -2.33 0.00 0.00 43.42 41.31 3h3a n LEU 49 CO 0.42 0.39 -0.01 0.61 -1.33 0.00 0.00 177.39 177.47 3h3a n GLY 50 N 1.15 0.30 3.74 -0.72 0.00 -0.16 -4.98 105.19 104.52 3h3a n GLY 50 Ca 0.16 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 3h3a n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h3a s ILE 51 N -1.54 4.96 0.29 -0.61 1.01 -0.33 -4.98 121.20 120.00 3h3a s ILE 51 Ca 0.00 1.31 -0.29 0.00 0.00 0.00 0.00 60.65 61.67 3h3a s ILE 51 Cb 0.00 -3.97 -0.10 0.00 0.01 0.00 0.00 42.46 38.40 3h3a s ILE 51 CO 0.00 0.35 1.31 -0.75 0.00 0.00 0.00 174.94 175.86 3h3a s LYS 52 N 0.21 4.37 -0.13 2.79 2.36 -1.26 -3.98 119.74 124.09 3h3a s LYS 52 Ca 0.33 2.18 -0.06 0.00 -2.55 0.00 0.00 55.97 55.86 3h3a s LYS 52 Cb -0.18 -3.10 0.05 0.00 -1.05 0.00 0.00 37.83 33.55 3h3a s LYS 52 CO 0.17 -0.21 0.30 1.21 1.55 0.00 0.00 175.35 178.38 3h3a s ASN 53 N -0.24 -0.29 -0.09 1.43 3.84 -1.26 -5.02 114.94 113.30 3h3a s ASN 53 Ca 0.51 0.66 0.17 0.00 0.21 0.00 0.00 52.86 54.41 3h3a s ASN 53 Cb -0.39 0.57 -0.25 0.00 -0.55 0.00 0.00 41.25 40.63 3h3a s ASN 53 CO 0.48 -0.18 0.25 0.18 -2.79 0.00 0.00 177.10 175.04 3h3a n LEU 54 N 4.36 0.00 -4.63 3.21 7.99 -1.26 -4.92 117.00 121.75 3h3a n LEU 54 Ca -0.23 0.00 -0.48 0.00 -0.01 0.00 0.00 56.01 55.29 3h3a n LEU 54 Cb 0.53 0.19 -0.05 0.00 -0.11 0.00 0.00 43.42 43.99 3h3a n LEU 54 CO 0.11 0.19 1.03 0.47 -1.51 0.00 0.00 177.39 177.68 3h3a n ASP 55 N -2.36 2.37 -3.61 -1.43 8.00 -1.26 -4.88 116.55 113.38 3h3a n ASP 55 Ca -0.14 1.11 -0.27 0.00 0.71 0.00 0.00 54.79 56.19 3h3a n ASP 55 Cb 0.74 -1.32 -0.10 0.00 -0.02 0.00 0.00 41.12 40.42 3h3a n ASP 55 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3h3a n ILE 56 N 2.79 0.88 -2.17 0.53 -5.35 -1.26 -4.72 119.36 110.07 3h3a n ILE 56 Ca 0.17 -4.52 -0.41 0.00 -0.27 0.00 0.00 62.75 57.72 3h3a n ILE 56 Cb 0.25 -2.02 -0.03 0.00 -1.74 0.00 0.00 39.64 36.10 3h3a n ILE 56 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3h3a s ASP 57 N -1.29 6.84 -0.02 7.28 2.15 -1.26 -2.86 116.67 127.50 3h3a s ASP 57 Ca 0.31 2.45 0.01 0.00 0.43 0.00 0.00 52.55 55.75 3h3a s ASP 57 Cb 0.04 -2.61 0.02 0.00 -0.30 0.00 0.00 42.92 40.06 3h3a s ASP 57 CO -0.14 -0.57 -0.03 -0.63 -0.17 0.00 0.00 175.17 173.63 3h3a s ILE 58 N 0.14 0.34 0.00 4.11 1.01 0.26 -1.89 121.20 125.18 3h3a s ILE 58 Ca 0.58 -0.07 0.07 0.00 0.00 0.00 0.00 60.65 61.22 3h3a s ILE 58 Cb -0.38 -0.37 -0.03 0.00 0.01 0.00 0.00 42.46 41.70 3h3a s ILE 58 CO 0.39 0.15 -0.21 -0.69 0.00 0.00 0.00 174.94 174.58 3h3a s VAL 59 N 0.60 2.53 0.14 2.92 1.01 -0.36 -0.10 120.40 127.14 3h3a s VAL 59 Ca -0.07 -1.09 0.07 0.00 0.00 0.00 0.00 61.98 60.89 3h3a s VAL 59 Cb -0.10 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 3h3a s VAL 59 CO -0.01 0.47 -0.17 0.68 0.00 0.00 0.00 175.10 176.07 3h3a s VAL 60 N -0.77 1.61 -0.88 2.92 -7.23 -1.08 -0.92 120.40 114.04 3h3a s VAL 60 Ca 0.12 -1.76 -0.13 0.00 -1.81 0.00 0.00 61.98 58.39 3h3a s VAL 60 Cb -0.10 -1.66 0.23 0.00 0.56 0.00 0.00 36.38 35.40 3h3a s VAL 60 CO 0.02 -0.31 0.85 -1.61 -0.31 0.00 0.00 175.10 173.74 3h3a s GLU 61 N -2.57 3.71 0.00 4.82 2.02 -0.68 -2.23 118.70 123.78 3h3a s GLU 61 Ca 0.11 -2.57 0.00 0.00 0.02 0.00 0.00 54.97 52.53 3h3a s GLU 61 Cb -0.06 -4.47 0.00 0.00 0.10 0.00 0.00 34.13 29.69 3h3a s GLU 61 CO 0.05 -1.30 0.00 0.41 0.02 0.00 0.00 175.26 174.44 3h3a n GLY 62 N 3.80 -1.97 3.27 -1.39 0.00 -1.26 -3.93 105.19 103.72 3h3a n GLY 62 Ca 0.16 0.81 -0.04 0.00 0.00 0.00 0.00 46.02 46.95 3h3a n GLY 62 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3h3a s ASN 63 N -4.00 -0.59 0.30 1.61 3.84 -1.26 -4.93 114.94 109.91 3h3a s ASN 63 Ca 0.00 0.96 -0.02 0.00 0.21 0.00 0.00 52.86 54.01 3h3a s ASN 63 Cb 0.00 1.70 0.45 0.00 -0.55 0.00 0.00 41.25 42.85 3h3a s ASN 63 CO 0.00 -0.25 1.97 0.00 -2.79 0.00 0.00 177.10 176.03 3h3a h ALA 64 N 8.10 1.42 0.46 1.71 0.00 -1.78 -0.42 119.26 128.74 3h3a h ALA 64 Ca -0.18 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3h3a h ALA 64 Cb 1.13 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3h3a h ALA 64 CO 0.17 0.54 -0.22 -0.07 0.00 0.00 0.00 179.25 179.67 3h3a h LEU 65 N 1.11 -0.52 -0.58 0.00 3.38 -1.84 0.27 115.31 117.13 3h3a h LEU 65 Ca 0.30 -0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.30 3h3a h LEU 65 Cb -0.12 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 3h3a h LEU 65 CO -0.07 -0.29 0.28 -0.33 0.09 0.00 0.00 178.44 178.12 3h3a h GLU 66 N -0.73 0.51 -0.10 1.13 5.08 -1.85 -0.93 114.58 117.68 3h3a h GLU 66 Ca -0.06 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3h3a h GLU 66 Cb 0.53 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 3h3a h GLU 66 CO 0.10 0.34 0.05 0.35 -1.00 0.00 0.00 179.01 178.85 3h3a h PHE 67 N 0.52 0.15 -0.62 4.33 3.57 -1.06 -2.11 116.94 121.72 3h3a h PHE 67 Ca 0.27 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.79 3h3a h PHE 67 Cb 0.22 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 3h3a h PHE 67 CO -0.11 0.21 0.41 0.00 -2.23 0.00 0.00 178.31 176.59 3h3a h ALA 68 N 0.92 1.68 -0.06 2.41 0.00 0.23 0.51 119.26 124.95 3h3a h ALA 68 Ca 0.04 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3h3a h ALA 68 Cb 0.12 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3h3a h ALA 68 CO -0.00 0.26 -0.26 0.93 0.00 0.00 0.00 179.25 180.17 3h3a h GLU 69 N 0.73 0.29 -0.14 0.00 5.08 -1.08 -2.63 114.58 116.83 3h3a h GLU 69 Ca 0.25 -0.22 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 3h3a h GLU 69 Cb 0.10 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.32 3h3a h GLU 69 CO -0.07 0.86 -0.50 -0.92 -1.00 0.00 0.00 179.01 177.38 3h3a h TYR 70 N -0.23 -1.48 -0.90 4.33 3.20 -0.69 -1.63 116.97 119.58 3h3a h TYR 70 Ca -0.01 0.06 0.25 0.00 3.14 0.00 0.00 58.73 62.16 3h3a h TYR 70 Cb 0.90 0.66 -0.15 0.00 1.54 0.00 0.00 36.73 39.69 3h3a h TYR 70 CO 0.13 -0.53 0.26 0.00 -1.64 0.00 0.00 178.16 176.38 3h3a h ALA 71 N -0.15 1.34 -0.10 1.82 0.00 -0.92 -1.77 119.26 119.49 3h3a h ALA 71 Ca 0.05 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3h3a h ALA 71 Cb 0.67 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3h3a h ALA 71 CO -0.43 -0.49 0.02 -0.22 0.00 0.00 0.00 179.25 178.13 3h3a h LYS 72 N 0.20 0.13 0.00 0.00 3.11 -0.90 -0.16 116.57 118.95 3h3a h LYS 72 Ca 0.58 -0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 58.40 3h3a h LYS 72 Cb 1.19 -0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 32.39 3h3a h LYS 72 CO -0.67 0.13 -0.01 0.00 -2.81 0.00 0.00 179.45 176.09 3h3a h ARG 73 N 0.14 0.00 0.00 1.90 3.08 -1.25 -2.96 114.38 115.29 3h3a h ARG 73 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3h3a h ARG 73 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3h3a h ARG 73 CO -0.00 0.01 -0.84 1.19 -1.07 0.00 0.00 179.97 179.25 3h3a n PHE 74 N -3.61 0.00 -3.86 3.04 3.01 -0.88 -4.97 117.46 110.20 3h3a n PHE 74 Ca -0.03 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.06 3h3a n PHE 74 Cb 0.09 -0.02 -0.06 0.00 -0.01 0.00 0.00 39.48 39.48 3h3a n PHE 74 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3h3a s LEU 75 N -2.86 4.39 -0.34 4.37 1.02 -0.12 -5.09 118.68 120.04 3h3a s LEU 75 Ca -0.00 0.50 -0.23 0.00 0.02 0.00 0.00 54.13 54.42 3h3a s LEU 75 Cb 0.01 -2.10 0.00 0.00 0.02 0.00 0.00 46.19 44.12 3h3a s LEU 75 CO 0.03 0.40 0.76 -2.16 0.02 0.00 0.00 176.35 175.41 3h3a s PRO 76 N -1.02 3.81 0.00 1.29 0.04 -1.26 -4.56 135.00 133.30 3h3a s PRO 76 Ca 0.15 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.55 3h3a s PRO 76 Cb -0.12 -3.78 0.00 0.00 0.04 0.00 0.00 34.50 30.64 3h3a s PRO 76 CO 0.04 -0.77 0.00 0.41 0.04 0.00 0.00 177.00 176.72 3h3a n GLY 77 N 4.45 -1.45 3.70 0.56 0.00 -1.26 -4.33 105.19 106.86 3h3a n GLY 77 Ca 0.02 -1.13 -0.38 0.00 0.00 0.00 0.00 46.02 44.53 3h3a n GLY 77 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h3a s LYS 78 N -1.54 4.29 -0.35 1.61 2.20 0.15 -4.80 119.74 121.30 3h3a s LYS 78 Ca 0.00 0.43 -0.10 0.00 -0.36 0.00 0.00 55.97 55.94 3h3a s LYS 78 Cb 0.00 -3.48 0.02 0.00 -1.51 0.00 0.00 37.83 32.86 3h3a s LYS 78 CO 0.00 0.06 0.17 -1.17 -0.36 0.00 0.00 175.35 174.05 3h3a s LEU 79 N 0.95 4.44 -0.34 5.43 2.96 -1.26 0.11 118.68 130.97 3h3a s LEU 79 Ca 0.25 -0.85 -0.12 0.00 -0.22 0.00 0.00 54.13 53.19 3h3a s LEU 79 Cb -0.15 -1.99 -0.01 0.00 0.50 0.00 0.00 46.19 44.53 3h3a s LEU 79 CO 0.10 -0.31 0.22 -0.69 -1.32 0.00 0.00 176.35 174.35 3h3a s VAL 80 N 1.55 5.07 -0.72 1.68 1.01 -0.55 -4.98 120.40 123.47 3h3a s VAL 80 Ca 0.02 -0.32 -0.11 0.00 0.00 0.00 0.00 61.98 61.58 3h3a s VAL 80 Cb -0.18 -3.62 0.19 0.00 0.00 0.00 0.00 36.38 32.76 3h3a s VAL 80 CO 0.06 -0.01 0.62 -0.54 0.00 0.00 0.00 175.10 175.23 3h3a s LYS 81 N 1.68 3.18 -1.27 2.72 3.01 -1.26 -1.53 119.74 126.28 3h3a s LYS 81 Ca 0.05 -2.37 -0.16 0.00 -1.01 0.00 0.00 55.97 52.49 3h3a s LYS 81 Cb -0.17 -4.19 -0.02 0.00 -1.01 0.00 0.00 37.83 32.43 3h3a s LYS 81 CO 0.09 -1.25 2.20 0.72 0.51 0.00 0.00 175.35 177.61 3h3a n HIS 82 N 4.01 2.95 -1.09 3.18 8.25 -0.96 -4.92 115.22 126.63 3h3a n HIS 82 Ca 0.08 -2.64 -0.35 0.00 -0.26 0.00 0.00 57.72 54.55 3h3a n HIS 82 Cb 0.43 -2.30 0.08 0.00 1.12 0.00 0.00 29.99 29.33 3h3a n HIS 82 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3h3a n ASP 83 N 6.23 -1.98 0.00 0.41 10.43 -1.26 -2.74 116.55 127.65 3h3a n ASP 83 Ca 0.53 0.48 0.00 0.00 2.57 0.00 0.00 54.79 58.37 3h3a n ASP 83 Cb 0.37 -1.16 0.00 0.00 1.84 0.00 0.00 41.12 42.17 3h3a n ASP 83 CO 0.00 0.00 0.00 1.17 -1.07 0.00 0.00 177.20 177.30 3h3a n LYS 84 N -0.67 0.00 0.00 -1.24 3.00 -1.26 -4.53 118.16 113.46 3h3a n LYS 84 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 3h3a n LYS 84 Cb 0.51 -1.16 0.00 0.00 0.00 0.00 0.00 35.03 34.39 3h3a n LYS 84 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3h3a n PHE 85 N -2.00 0.00 -4.09 5.64 3.72 -1.11 -5.00 117.46 114.62 3h3a n PHE 85 Ca 0.00 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.10 3h3a n PHE 85 Cb 0.00 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 3h3a n PHE 85 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 3h3a n MET 86 N -0.25 -3.01 -3.86 -1.08 2.81 -1.20 -4.68 117.12 105.84 3h3a n MET 86 Ca 0.00 0.36 -0.23 0.00 -1.81 0.00 0.00 57.70 56.02 3h3a n MET 86 Cb 0.06 -4.65 -0.05 0.00 -0.71 0.00 0.00 33.22 27.87 3h3a n MET 86 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3h3a s THR 87 N -3.75 2.57 0.25 2.03 2.01 -1.18 -3.65 115.64 113.92 3h3a s THR 87 Ca 0.29 -1.52 -0.18 0.00 0.31 0.00 0.00 61.69 60.58 3h3a s THR 87 Cb -0.16 -3.00 0.01 0.00 0.01 0.00 0.00 72.50 69.36 3h3a s THR 87 CO 0.91 -0.02 0.61 0.00 -0.69 0.00 0.00 174.62 175.43 3h3a s ALA 88 N -2.52 -0.88 -0.21 7.40 0.00 -0.05 -2.28 121.76 123.23 3h3a s ALA 88 Ca 0.44 -0.46 -0.05 0.00 0.00 0.00 0.00 51.96 51.89 3h3a s ALA 88 Cb -0.00 0.92 0.11 0.00 0.00 0.00 0.00 23.12 24.15 3h3a s ALA 88 CO 0.25 -0.94 0.39 -1.12 0.00 0.00 0.00 175.76 174.34 3h3a s SER 89 N -2.94 0.00 -0.19 0.00 0.01 -0.58 -1.90 113.70 108.11 3h3a s SER 89 Ca 0.14 0.65 -0.20 0.00 1.31 0.00 0.00 55.95 57.85 3h3a s SER 89 Cb -0.03 1.19 -0.03 0.00 0.21 0.00 0.00 66.02 67.36 3h3a s SER 89 CO 0.06 -0.26 0.60 -0.22 0.41 0.00 0.00 173.24 173.83 3h3a s LEU 90 N 2.57 4.16 -0.39 2.44 1.98 -1.18 -1.48 118.68 126.79 3h3a s LEU 90 Ca 0.04 0.82 -0.10 0.00 -2.89 0.00 0.00 54.13 52.01 3h3a s LEU 90 Cb -0.13 -2.85 0.05 0.00 0.66 0.00 0.00 46.19 43.91 3h3a s LEU 90 CO -0.14 -0.23 0.21 -0.36 -1.89 0.00 0.00 176.35 173.95 3h3a s PHE 91 N 1.73 3.28 0.00 5.38 0.08 0.30 -2.64 117.98 126.11 3h3a s PHE 91 Ca 0.28 -1.25 0.00 0.00 0.12 0.00 0.00 56.93 56.08 3h3a s PHE 91 Cb -0.16 -2.62 0.00 0.00 -0.57 0.00 0.00 43.02 39.67 3h3a s PHE 91 CO 0.11 -0.74 0.00 1.28 -0.10 0.00 0.00 175.22 175.76 3h3a n LEU 92 N 4.94 0.00 -4.63 -0.37 7.99 -0.34 0.31 117.00 124.90 3h3a n LEU 92 Ca -0.11 0.00 -0.30 0.00 -0.01 0.00 0.00 56.01 55.58 3h3a n LEU 92 Cb 0.45 0.00 -0.09 0.00 -0.11 0.00 0.00 43.42 43.66 3h3a n LEU 92 CO 0.37 -0.47 -0.37 -1.59 -1.51 0.00 0.00 177.39 173.81 3h3a s LYS 93 N -2.15 2.41 0.00 3.23 0.00 -1.26 -4.20 119.74 117.77 3h3a s LYS 93 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 55.97 55.10 3h3a s LYS 93 Cb 0.00 -2.46 0.00 0.00 0.00 0.00 0.00 37.83 35.37 3h3a s LYS 93 CO 0.00 0.54 0.00 0.41 0.00 0.00 0.00 175.35 176.30 3h3a n GLY 94 N 0.83 0.71 0.65 0.59 0.00 -1.26 -4.63 105.19 102.09 3h3a n GLY 94 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3h3a n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h3a n GLY 95 N -1.06 0.85 2.88 -0.02 0.00 -1.26 -5.11 105.19 101.47 3h3a n GLY 95 Ca 0.00 -0.53 -0.15 0.00 0.00 0.00 0.00 46.02 45.34 3h3a n GLY 95 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3h3a s LEU 96 N -1.31 0.33 -0.09 0.99 0.05 -1.26 -5.08 118.68 112.31 3h3a s LEU 96 Ca 0.00 0.31 0.02 0.00 0.05 0.00 0.00 54.13 54.52 3h3a s LEU 96 Cb 0.00 0.31 0.01 0.00 -2.05 0.00 0.00 46.19 44.46 3h3a s LEU 96 CO 0.00 -0.20 -0.16 -0.60 -0.55 0.00 0.00 176.35 174.85 3h3a s ARG 97 N 1.73 2.15 -0.38 1.48 3.52 -1.26 -1.20 118.95 124.99 3h3a s ARG 97 Ca -0.03 -0.56 -0.15 0.00 -0.13 0.00 0.00 55.73 54.86 3h3a s ARG 97 Cb -0.12 -1.75 0.00 0.00 -1.56 0.00 0.00 34.95 31.52 3h3a s ARG 97 CO -0.06 0.03 0.33 0.96 -0.81 0.00 0.00 175.30 175.75 3h3a s ILE 98 N 0.71 5.20 -0.20 4.11 -0.00 -1.08 -4.07 121.20 125.88 3h3a s ILE 98 Ca -0.13 -0.29 -0.29 0.00 -0.00 0.00 0.00 60.65 59.94 3h3a s ILE 98 Cb -0.16 -3.87 0.00 0.00 -0.00 0.00 0.00 42.46 38.43 3h3a s ILE 98 CO 0.03 -0.20 1.06 -1.81 -0.00 0.00 0.00 174.94 174.02 3h3a s ASP 99 N 1.73 7.11 -0.22 4.36 -0.00 -1.14 -3.08 116.67 125.43 3h3a s ASP 99 Ca 0.09 1.45 0.00 0.00 -0.00 0.00 0.00 52.55 54.08 3h3a s ASP 99 Cb -0.17 -2.54 0.03 0.00 -0.00 0.00 0.00 42.92 40.23 3h3a s ASP 99 CO 0.11 -0.64 -0.12 -0.63 -0.00 0.00 0.00 175.17 173.89 3h3a s ILE 100 N 3.01 2.48 0.49 0.77 1.01 -0.80 0.92 121.20 129.08 3h3a s ILE 100 Ca 0.46 -1.06 0.04 0.00 0.00 0.00 0.00 60.65 60.09 3h3a s ILE 100 Cb -0.16 -2.21 -0.02 0.00 0.01 0.00 0.00 42.46 40.08 3h3a s ILE 100 CO 0.09 0.30 0.12 0.00 0.00 0.00 0.00 174.94 175.46 3h3a s ALA 101 N 1.28 3.98 0.11 9.38 0.00 0.85 -0.87 121.76 136.48 3h3a s ALA 101 Ca 0.01 -1.09 0.08 0.00 0.00 0.00 0.00 51.96 50.95 3h3a s ALA 101 Cb -0.16 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 3h3a s ALA 101 CO -0.08 -0.15 -0.15 0.99 0.00 0.00 0.00 175.76 176.37 3h3a s THR 102 N -2.79 3.02 0.00 0.00 2.01 -1.24 -2.63 115.64 114.01 3h3a s THR 102 Ca 0.21 -1.40 0.00 0.00 0.31 0.00 0.00 61.69 60.81 3h3a s THR 102 Cb 0.02 -2.39 0.00 0.00 0.01 0.00 0.00 72.50 70.15 3h3a s THR 102 CO 0.12 0.12 0.00 0.00 -0.69 0.00 0.00 174.62 174.17 3h3a n ALA 103 N 0.82 0.00 0.00 7.40 0.00 -0.94 -4.90 120.51 122.89 3h3a n ALA 103 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3h3a n ALA 103 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 3h3a n ALA 103 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3h3a n GLU 118 N 0.00 0.00 0.01 0.00 0.28 -1.26 -5.01 120.64 114.66 3h3a n GLU 118 Ca 0.00 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.05 3h3a n GLU 118 Cb 0.00 0.00 0.24 0.00 1.43 0.00 0.00 31.44 33.11 3h3a n GLU 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3h3a n MET 119 N 0.00 0.01 -0.60 3.44 0.00 -1.26 -4.58 117.12 114.13 3h3a n MET 119 Ca 0.00 0.33 -0.14 0.00 0.00 0.00 0.00 57.70 57.89 3h3a n MET 119 Cb 0.00 -1.53 -0.04 0.00 0.00 0.00 0.00 33.22 31.65 3h3a n MET 119 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 3h3a n SER 120 N -1.55 -0.04 0.03 3.17 7.64 -1.26 -4.07 113.62 117.55 3h3a n SER 120 Ca 0.02 -1.37 0.11 0.00 1.01 0.00 0.00 58.87 58.65 3h3a n SER 120 Cb 0.12 -0.24 0.05 0.00 -1.01 0.00 0.00 64.21 63.14 3h3a n SER 120 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3h3a n THR 121 N 4.68 0.21 0.25 0.44 -1.04 -1.26 -3.46 114.28 114.11 3h3a n THR 121 Ca 0.15 -0.26 0.13 0.00 -2.04 0.00 0.00 64.05 62.03 3h3a n THR 121 Cb 0.22 0.13 0.62 0.00 -1.82 0.00 0.00 70.33 69.48 3h3a n THR 121 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 3h3a h ILE 122 N 0.00 0.42 0.27 12.58 2.10 -1.98 -2.46 117.51 128.44 3h3a h ILE 122 Ca 0.00 -0.77 -0.01 0.00 1.08 0.00 0.00 64.86 65.15 3h3a h ILE 122 Cb 0.74 1.55 0.00 0.00 -1.09 0.00 0.00 36.82 38.02 3h3a h ILE 122 CO 0.00 0.14 -0.13 0.50 -1.08 0.00 0.00 178.15 177.58 3h3a h LYS 123 N 0.00 -0.35 -0.64 2.19 3.64 -1.90 0.78 116.57 120.28 3h3a h LYS 123 Ca -0.00 0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.54 3h3a h LYS 123 Cb 0.54 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.40 3h3a h LYS 123 CO 0.02 -0.14 0.44 0.87 -2.27 0.00 0.00 179.45 178.36 3h3a h LYS 124 N -0.50 0.29 -0.06 1.90 1.57 -1.68 0.15 116.57 118.24 3h3a h LYS 124 Ca -0.04 -0.02 -0.19 0.00 -1.87 0.00 0.00 60.65 58.54 3h3a h LYS 124 Cb 0.37 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 3h3a h LYS 124 CO 0.06 0.19 -0.76 0.22 -0.57 0.00 0.00 179.45 178.59 3h3a h ASP 125 N 0.30 0.43 1.43 0.86 3.58 -0.98 -3.17 116.42 118.88 3h3a h ASP 125 Ca 0.31 -0.30 0.00 0.00 0.42 0.00 0.00 57.03 57.46 3h3a h ASP 125 Cb 0.80 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.72 3h3a h ASP 125 CO -0.07 1.04 -0.24 -0.07 -2.88 0.00 0.00 179.24 177.01 3h3a h LEU 126 N 0.23 0.00 -1.09 2.28 3.38 0.11 -3.10 115.31 117.13 3h3a h LEU 126 Ca -0.04 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3h3a h LEU 126 Cb 1.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 3h3a h LEU 126 CO 0.13 0.02 -0.18 0.22 0.09 0.00 0.00 178.44 178.72 3h3a h TYR 127 N 0.00 0.00 0.00 1.13 -0.00 -0.77 -3.22 116.97 114.12 3h3a h TYR 127 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 3h3a h TYR 127 Cb 0.84 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.57 3h3a h TYR 127 CO 0.00 0.18 0.00 0.54 -0.00 0.00 0.00 178.16 178.88 3h3a n ARG 128 N -3.32 0.49 -1.73 1.82 1.74 -1.17 -4.85 116.66 109.65 3h3a n ARG 128 Ca 0.00 0.03 -0.12 0.00 -0.77 0.00 0.00 57.85 57.00 3h3a n ARG 128 Cb 0.42 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.42 3h3a n ARG 128 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3h3a n ARG 129 N -1.22 0.37 -0.08 5.56 1.74 -1.22 -5.07 116.66 116.75 3h3a n ARG 129 Ca 0.14 -1.46 -0.13 0.00 -0.77 0.00 0.00 57.85 55.63 3h3a n ARG 129 Cb 0.18 -0.29 -0.09 0.00 -1.02 0.00 0.00 32.46 31.24 3h3a n ARG 129 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 3h3a h ASP 130 N -0.22 0.00 -3.62 0.55 2.03 -1.90 -3.41 116.42 109.85 3h3a h ASP 130 Ca -0.16 -0.50 -0.38 0.00 -0.73 0.00 0.00 57.03 55.26 3h3a h ASP 130 Cb 0.64 0.00 -0.32 0.00 -0.83 0.00 0.00 39.33 38.82 3h3a h ASP 130 CO 0.19 1.08 -0.76 -0.36 -1.03 0.00 0.00 179.24 178.35 3h3a s PHE 131 N -2.18 0.61 0.36 4.15 0.40 -1.26 -2.46 117.98 117.60 3h3a s PHE 131 Ca -0.19 -0.14 0.18 0.00 -0.60 0.00 0.00 56.93 56.18 3h3a s PHE 131 Cb 0.02 -0.52 1.24 0.00 0.51 0.00 0.00 43.02 44.27 3h3a s PHE 131 CO 0.47 -0.12 1.60 1.79 0.70 0.00 0.00 175.22 179.67 3h3a h THR 132 N 5.80 0.09 0.00 0.64 1.35 -1.70 3.93 112.91 123.01 3h3a h THR 132 Ca -0.36 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 3h3a h THR 132 Cb 1.16 -0.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.57 3h3a h THR 132 CO 0.48 0.02 0.00 0.16 -0.25 0.00 0.00 175.52 175.93 3h3a h ILE 133 N 0.09 0.00 -0.02 6.82 3.07 -1.85 -1.12 117.51 124.50 3h3a h ILE 133 Ca 0.80 -0.23 0.00 0.00 1.55 0.00 0.00 64.86 66.99 3h3a h ILE 133 Cb 2.03 1.01 0.00 0.00 -0.27 0.00 0.00 36.82 39.59 3h3a h ILE 133 CO -0.73 0.00 -0.16 0.59 -1.05 0.00 0.00 178.15 176.80 3h3a n ASN 134 N -2.57 2.21 -1.96 2.16 3.02 1.28 -4.38 115.26 115.02 3h3a n ASN 134 Ca 0.00 -1.60 0.00 0.00 -0.03 0.00 0.00 54.58 52.95 3h3a n ASN 134 Cb 0.19 0.20 0.00 0.00 -0.61 0.00 0.00 39.78 39.56 3h3a n ASN 134 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h3a n ALA 135 N 0.57 0.00 0.00 5.41 0.00 -0.42 -4.06 120.51 122.00 3h3a n ALA 135 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3h3a n ALA 135 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 3h3a n ALA 135 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3h3a n MET 136 N -0.44 0.00 -3.85 0.00 2.81 -1.26 -4.54 117.12 109.84 3h3a n MET 136 Ca 0.00 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.79 3h3a n MET 136 Cb 0.00 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 32.43 3h3a n MET 136 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3h3a s ALA 137 N -2.93 -0.32 -0.14 3.04 0.00 -0.26 -3.80 121.76 117.36 3h3a s ALA 137 Ca 0.00 -0.36 0.02 0.00 0.00 0.00 0.00 51.96 51.63 3h3a s ALA 137 Cb 0.00 0.32 0.01 0.00 0.00 0.00 0.00 23.12 23.45 3h3a s ALA 137 CO 0.00 -0.39 -0.21 0.42 0.00 0.00 0.00 175.76 175.58 3h3a s ILE 138 N -2.83 1.99 0.79 0.00 1.01 -0.53 0.60 121.20 122.23 3h3a s ILE 138 Ca -0.03 -0.94 -0.11 0.00 0.00 0.00 0.00 60.65 59.57 3h3a s ILE 138 Cb 0.00 -1.77 0.06 0.00 0.01 0.00 0.00 42.46 40.77 3h3a s ILE 138 CO -0.05 0.54 1.09 -0.75 0.00 0.00 0.00 174.94 175.76 3h3a s LYS 139 N 0.86 2.19 0.00 2.79 2.20 -0.55 -1.12 119.74 126.10 3h3a s LYS 139 Ca -0.06 0.75 0.00 0.00 -0.36 0.00 0.00 55.97 56.30 3h3a s LYS 139 Cb -0.15 -1.92 0.00 0.00 -1.51 0.00 0.00 37.83 34.25 3h3a s LYS 139 CO -0.02 -1.58 0.00 1.28 -0.36 0.00 0.00 175.35 174.67 3h3a n LEU 140 N -3.42 0.00 -4.73 5.43 4.77 0.86 -4.12 117.00 115.79 3h3a n LEU 140 Ca 0.07 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.63 3h3a n LEU 140 Cb 0.55 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.63 3h3a n LEU 140 CO 0.56 0.00 1.13 0.59 -1.33 0.00 0.00 177.39 178.34 3h3a n ASN 141 N -0.79 3.45 -0.35 -1.43 5.03 -1.26 -4.29 115.26 115.63 3h3a n ASN 141 Ca 0.00 1.17 0.15 0.00 0.87 0.00 0.00 54.58 56.76 3h3a n ASN 141 Cb 0.05 -1.55 0.34 0.00 -1.02 0.00 0.00 39.78 37.61 3h3a n ASN 141 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.26 174.78 3h3a h PRO 142 N 4.01 0.68 -0.56 3.52 0.11 -1.91 0.16 132.00 138.02 3h3a h PRO 142 Ca -0.47 -0.04 0.10 0.00 0.11 0.00 0.00 66.00 65.70 3h3a h PRO 142 Cb 1.25 -0.15 -0.08 0.00 0.11 0.00 0.00 31.00 32.12 3h3a h PRO 142 CO 0.73 0.45 0.11 -0.22 -0.21 0.00 0.00 178.00 178.86 3h3a h LYS 143 N 0.70 0.24 -0.26 1.05 3.64 -1.98 -3.01 116.57 116.95 3h3a h LYS 143 Ca 0.60 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.89 3h3a h LYS 143 Cb 1.01 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.73 3h3a h LYS 143 CO -0.41 0.16 -0.04 -0.25 -2.27 0.00 0.00 179.45 176.63 3h3a n ASP 144 N -5.13 3.04 -0.16 4.20 9.92 0.04 -4.97 116.55 123.49 3h3a n ASP 144 Ca 0.07 -3.38 -0.04 0.00 -0.53 0.00 0.00 54.79 50.92 3h3a n ASP 144 Cb 0.29 -0.57 -0.04 0.00 -0.64 0.00 0.00 41.12 40.16 3h3a n ASP 144 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 3h3a n PHE 145 N -0.91 -0.17 1.23 1.24 -0.00 0.36 -1.68 117.46 117.53 3h3a n PHE 145 Ca 0.26 0.49 0.00 0.00 -0.00 0.00 0.00 57.45 58.20 3h3a n PHE 145 Cb 0.92 -0.48 0.00 0.00 -0.00 0.00 0.00 39.48 39.92 3h3a n PHE 145 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3h3a n GLY 146 N -1.10 0.80 3.59 7.13 0.00 -1.26 -4.00 105.19 110.36 3h3a n GLY 146 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 3h3a n GLY 146 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h3a s LEU 147 N -0.27 3.70 0.12 0.99 2.96 -0.68 -2.54 118.68 122.97 3h3a s LEU 147 Ca 0.00 0.39 -0.30 0.00 -0.22 0.00 0.00 54.13 54.00 3h3a s LEU 147 Cb 0.00 -3.48 -0.07 0.00 0.50 0.00 0.00 46.19 43.14 3h3a s LEU 147 CO 0.00 -1.22 1.25 -0.22 -1.32 0.00 0.00 176.35 174.84 3h3a s LEU 148 N 4.34 4.40 -0.14 -0.68 0.20 -0.11 -1.49 118.68 125.20 3h3a s LEU 148 Ca 0.46 2.18 0.01 0.00 0.69 0.00 0.00 54.13 57.46 3h3a s LEU 148 Cb -0.08 -3.59 0.02 0.00 -0.43 0.00 0.00 46.19 42.11 3h3a s LEU 148 CO 0.31 -0.49 -0.14 -0.63 -0.29 0.00 0.00 176.35 175.11 3h3a s ILE 149 N 0.68 1.54 -0.41 6.68 1.01 0.20 -2.79 121.20 128.10 3h3a s ILE 149 Ca 0.58 -0.62 0.08 0.00 0.00 0.00 0.00 60.65 60.69 3h3a s ILE 149 Cb -0.33 -1.44 0.28 0.00 0.01 0.00 0.00 42.46 40.98 3h3a s ILE 149 CO 0.32 0.45 0.71 -0.67 0.00 0.00 0.00 174.94 175.75 3h3a n ASP 150 N 4.67 -0.60 0.23 3.58 4.64 -0.78 -1.10 116.55 127.19 3h3a n ASP 150 Ca -0.17 -3.00 0.14 0.00 -1.38 0.00 0.00 54.79 50.38 3h3a n ASP 150 Cb 0.50 0.16 0.73 0.00 -1.04 0.00 0.00 41.12 41.47 3h3a n ASP 150 CO 0.00 0.00 0.00 -0.26 -0.82 0.00 0.00 177.20 176.12 3h3a h PHE 151 N 3.67 0.00 -0.02 -0.67 0.04 -1.90 -2.83 116.94 115.24 3h3a h PHE 151 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 3h3a h PHE 151 Cb 0.96 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.11 3h3a h PHE 151 CO 0.31 0.00 0.00 1.19 -0.60 0.00 0.00 178.31 179.21 3h3a n PHE 152 N -2.50 0.03 -3.69 -0.55 3.72 -1.26 -4.99 117.46 108.22 3h3a n PHE 152 Ca -0.02 -0.68 -0.22 0.00 -0.05 0.00 0.00 57.45 56.48 3h3a n PHE 152 Cb 0.14 -0.09 0.03 0.00 -0.94 0.00 0.00 39.48 38.62 3h3a n PHE 152 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h3a n GLY 153 N -0.80 -0.40 0.19 1.37 0.00 -1.07 -4.87 105.19 99.62 3h3a n GLY 153 Ca 0.06 0.18 -0.01 0.00 0.00 0.00 0.00 46.02 46.25 3h3a n GLY 153 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3h3a h GLY 154 N -1.83 0.22 1.02 -0.02 0.00 -1.82 -2.89 103.07 97.74 3h3a h GLY 154 Ca -0.62 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 46.50 3h3a h GLY 154 CO 0.55 0.19 0.47 -1.82 0.00 0.00 0.00 176.54 175.93 3h3a h TYR 155 N 0.17 1.10 -0.04 5.60 3.20 -1.89 1.07 116.97 126.18 3h3a h TYR 155 Ca 0.02 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 3h3a h TYR 155 Cb 0.79 -0.36 -0.00 0.00 1.54 0.00 0.00 36.73 38.71 3h3a h TYR 155 CO 0.01 0.76 -0.00 -0.09 -1.64 0.00 0.00 178.16 177.19 3h3a h ARG 156 N 1.13 0.08 -0.55 1.82 2.43 -1.91 -1.14 114.38 116.24 3h3a h ARG 156 Ca 0.29 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.35 3h3a h ARG 156 Cb -0.00 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 3h3a h ARG 156 CO -0.05 0.39 0.02 -0.44 -1.51 0.00 0.00 179.97 178.37 3h3a h ASP 157 N -0.23 0.89 -0.92 -3.80 3.32 -1.21 -0.97 116.42 113.50 3h3a h ASP 157 Ca 0.01 -0.23 0.03 0.00 0.02 0.00 0.00 57.03 56.87 3h3a h ASP 157 Cb 0.35 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.61 3h3a h ASP 157 CO 0.00 0.94 0.61 0.25 -1.72 0.00 0.00 179.24 179.32 3h3a h LEU 158 N 0.86 1.00 0.00 1.55 7.12 0.12 0.17 115.31 126.13 3h3a h LEU 158 Ca 0.16 -0.01 -0.12 0.00 0.13 0.00 0.00 57.88 58.04 3h3a h LEU 158 Cb 0.48 -0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 40.36 3h3a h LEU 158 CO 0.02 0.69 -0.58 0.50 -0.13 0.00 0.00 178.44 178.94 3h3a h LYS 159 N 1.16 0.00 -1.56 1.25 1.63 -0.23 -3.19 116.57 115.63 3h3a h LYS 159 Ca 0.36 0.00 -0.63 0.00 -0.85 0.00 0.00 60.65 59.54 3h3a h LYS 159 Cb 0.00 0.00 -0.38 0.00 -0.60 0.00 0.00 32.23 31.25 3h3a h LYS 159 CO -0.11 0.55 -0.31 -0.85 -3.45 0.00 0.00 179.45 175.29 3h3a n GLU 160 N -3.23 3.28 -3.96 1.90 0.28 -0.46 -5.01 120.64 113.44 3h3a n GLU 160 Ca 0.01 -4.24 -0.32 0.00 -0.16 0.00 0.00 57.16 52.45 3h3a n GLU 160 Cb 0.76 -2.26 0.01 0.00 1.43 0.00 0.00 31.44 31.39 3h3a n GLU 160 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3h3a n GLY 161 N -0.52 -0.58 3.39 -1.84 0.00 -0.55 -4.91 105.19 100.18 3h3a n GLY 161 Ca 0.43 0.23 -0.29 0.00 0.00 0.00 0.00 46.02 46.39 3h3a n GLY 161 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h3a s VAL 162 N -3.94 2.29 -0.42 1.61 1.01 0.47 -1.52 120.40 119.90 3h3a s VAL 162 Ca 0.33 -1.69 0.03 0.00 0.00 0.00 0.00 61.98 60.66 3h3a s VAL 162 Cb -0.18 -2.00 0.12 0.00 0.00 0.00 0.00 36.38 34.31 3h3a s VAL 162 CO 0.67 0.13 0.16 -0.63 0.00 0.00 0.00 175.10 175.43 3h3a s ILE 163 N -1.03 2.23 -0.14 2.22 1.01 -0.06 -4.56 121.20 120.87 3h3a s ILE 163 Ca 0.14 -2.71 -0.05 0.00 0.00 0.00 0.00 60.65 58.03 3h3a s ILE 163 Cb -0.10 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.73 3h3a s ILE 163 CO 0.06 -0.72 0.03 -0.13 0.00 0.00 0.00 174.94 174.18 3h3a s ARG 164 N 0.40 3.58 -0.34 2.79 0.52 -1.26 -3.63 118.95 121.00 3h3a s ARG 164 Ca 0.14 -0.37 -0.21 0.00 -0.52 0.00 0.00 55.73 54.77 3h3a s ARG 164 Cb -0.22 -3.03 0.00 0.00 0.52 0.00 0.00 34.95 32.22 3h3a s ARG 164 CO -0.05 0.45 0.68 0.54 0.02 0.00 0.00 175.30 176.93 3h3a s VAL 165 N -0.15 4.86 0.35 3.52 0.11 -1.26 -1.80 120.40 126.04 3h3a s VAL 165 Ca 0.06 0.77 0.16 0.00 -2.93 0.00 0.00 61.98 60.04 3h3a s VAL 165 Cb -0.12 -4.09 0.35 0.00 -1.53 0.00 0.00 36.38 30.99 3h3a s VAL 165 CO 0.02 -0.29 1.61 -0.07 -3.33 0.00 0.00 175.10 173.04 3h3a h LEU 166 N 9.40 0.27 -8.66 2.54 4.07 -1.71 -3.41 115.31 117.82 3h3a h LEU 166 Ca -0.26 0.24 -0.31 0.00 0.08 0.00 0.00 57.88 57.63 3h3a h LEU 166 Cb 1.11 0.26 -0.12 0.00 1.08 0.00 0.00 40.66 42.98 3h3a h LEU 166 CO 0.85 -0.33 -0.45 -1.38 -1.08 0.00 0.00 178.44 176.05 3h3a s HIS 167 N -5.63 1.28 -1.02 1.13 -3.43 -1.26 -5.04 115.29 101.31 3h3a s HIS 167 Ca -0.10 -1.40 0.14 0.00 -0.80 0.00 0.00 55.06 52.90 3h3a s HIS 167 Cb 0.32 -0.46 0.62 0.00 -1.43 0.00 0.00 32.58 31.63 3h3a s HIS 167 CO 0.78 -0.85 1.46 0.25 -2.00 0.00 0.00 174.74 174.38 3h3a n THR 168 N -0.46 1.00 0.23 -5.38 -2.24 -1.26 -2.06 114.28 104.10 3h3a n THR 168 Ca 0.03 0.25 0.06 0.00 -2.27 0.00 0.00 64.05 62.12 3h3a n THR 168 Cb 0.63 -1.00 0.09 0.00 -2.10 0.00 0.00 70.33 67.96 3h3a n THR 168 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3h3a n LEU 169 N -1.49 2.39 -0.27 3.22 4.32 -1.26 -4.65 117.00 119.25 3h3a n LEU 169 Ca 0.04 -1.39 0.06 0.00 -0.02 0.00 0.00 56.01 54.69 3h3a n LEU 169 Cb 0.17 -0.10 0.17 0.00 -1.62 0.00 0.00 43.42 42.04 3h3a n LEU 169 CO 0.13 0.52 0.81 0.28 -1.22 0.00 0.00 177.39 177.92 3h3a h SER 170 N 2.28 -0.39 0.05 -1.43 0.02 -1.74 0.29 113.55 112.63 3h3a h SER 170 Ca 0.00 0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 61.15 3h3a h SER 170 Cb 0.60 0.37 0.00 0.00 0.14 0.00 0.00 62.40 63.51 3h3a h SER 170 CO 0.00 -0.20 -0.03 -0.26 -1.14 0.00 0.00 176.83 175.20 3h3a h PHE 171 N 0.09 -0.07 -0.54 3.45 0.04 -1.83 -1.97 116.94 116.12 3h3a h PHE 171 Ca 0.43 -0.00 0.11 0.00 2.80 0.00 0.00 57.97 61.31 3h3a h PHE 171 Cb 0.77 0.02 -0.11 0.00 2.20 0.00 0.00 35.95 38.83 3h3a h PHE 171 CO -0.44 0.51 -0.23 0.28 -0.60 0.00 0.00 178.31 177.83 3h3a h VAL 172 N -0.73 0.32 -0.99 -0.55 2.07 -1.73 0.15 116.25 114.77 3h3a h VAL 172 Ca -0.01 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.60 3h3a h VAL 172 Cb 0.61 0.32 -0.07 0.00 -1.52 0.00 0.00 31.29 30.62 3h3a h VAL 172 CO 0.01 0.00 0.63 0.44 0.02 0.00 0.00 177.57 178.68 3h3a h ASP 173 N -0.10 0.97 -1.63 0.57 3.45 -0.46 -3.38 116.42 115.84 3h3a h ASP 173 Ca 0.25 0.03 -0.13 0.00 0.43 0.00 0.00 57.03 57.61 3h3a h ASP 173 Cb 0.49 -0.18 -0.27 0.00 -0.56 0.00 0.00 39.33 38.80 3h3a h ASP 173 CO -0.60 0.58 -0.47 -0.62 -1.57 0.00 0.00 179.24 176.55 3h3a s ASP 174 N -5.83 -0.03 0.51 6.45 -1.08 -0.15 -5.04 116.67 111.50 3h3a s ASP 174 Ca -0.12 0.02 0.29 0.00 -0.52 0.00 0.00 52.55 52.22 3h3a s ASP 174 Cb 0.21 1.31 1.34 0.00 -1.46 0.00 0.00 42.92 44.32 3h3a s ASP 174 CO 0.81 -0.32 2.00 -0.65 0.52 0.00 0.00 175.17 177.53 3h3a h PRO 175 N 8.14 0.00 -0.02 4.34 0.11 -0.99 -2.61 132.00 140.96 3h3a h PRO 175 Ca -0.13 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.98 3h3a h PRO 175 Cb 1.14 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3h3a h PRO 175 CO 0.26 0.12 0.11 0.00 -0.21 0.00 0.00 178.00 178.28 3h3a h THR 176 N 0.00 0.10 0.00 -1.15 1.03 -1.95 0.66 112.91 111.60 3h3a h THR 176 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 3h3a h THR 176 Cb 0.48 0.89 0.00 0.00 -1.07 0.00 0.00 68.15 68.45 3h3a h THR 176 CO 0.02 0.00 0.00 0.54 -0.01 0.00 0.00 175.52 176.07 3h3a n ARG 177 N -3.17 0.15 -0.11 0.00 1.74 -0.98 -2.05 116.66 112.24 3h3a n ARG 177 Ca -0.02 0.48 -0.11 0.00 -0.77 0.00 0.00 57.85 57.43 3h3a n ARG 177 Cb 0.18 -1.85 -0.03 0.00 -1.02 0.00 0.00 32.46 29.74 3h3a n ARG 177 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3h3a h ILE 178 N 0.00 1.27 -0.07 0.55 2.04 -1.09 0.17 117.51 120.38 3h3a h ILE 178 Ca 0.00 -1.06 -0.20 0.00 1.00 0.00 0.00 64.86 64.59 3h3a h ILE 178 Cb 0.22 1.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.63 3h3a h ILE 178 CO 0.00 0.34 -0.79 -0.07 0.00 0.00 0.00 178.15 177.63 3h3a h LEU 179 N 0.37 0.57 0.42 1.44 3.38 -1.61 -3.09 115.31 116.79 3h3a h LEU 179 Ca 0.08 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 3h3a h LEU 179 Cb 0.52 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3h3a h LEU 179 CO 0.03 1.16 -0.20 0.03 0.09 0.00 0.00 178.44 179.55 3h3a h ARG 180 N 0.31 -0.54 -0.78 1.13 3.08 -1.28 0.06 114.38 116.35 3h3a h ARG 180 Ca -0.05 0.04 0.13 0.00 0.07 0.00 0.00 59.98 60.17 3h3a h ARG 180 Cb 1.39 0.12 -0.14 0.00 0.08 0.00 0.00 29.97 31.43 3h3a h ARG 180 CO 0.14 -0.32 -0.35 0.00 -1.07 0.00 0.00 179.97 178.36 3h3a h ALA 181 N -0.08 0.08 -0.30 0.04 0.00 -0.72 0.98 119.26 119.26 3h3a h ALA 181 Ca -0.06 0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.10 3h3a h ALA 181 Cb 0.47 0.88 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 3h3a h ALA 181 CO 0.09 -0.64 0.14 0.82 0.00 0.00 0.00 179.25 179.66 3h3a h ILE 182 N -0.08 0.97 -0.83 0.00 2.04 -1.41 -2.73 117.51 115.46 3h3a h ILE 182 Ca 0.29 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 66.05 3h3a h ILE 182 Cb 0.57 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 3h3a h ILE 182 CO -0.83 0.05 0.51 -0.09 0.00 0.00 0.00 178.15 177.80 3h3a h ARG 183 N 0.29 1.12 -0.89 2.37 2.43 0.11 -2.39 114.38 117.43 3h3a h ARG 183 Ca 0.13 -0.09 0.03 0.00 -0.81 0.00 0.00 59.98 59.24 3h3a h ARG 183 Cb 0.06 -0.24 -0.05 0.00 -0.42 0.00 0.00 29.97 29.31 3h3a h ARG 183 CO -0.10 0.78 0.58 0.74 -1.51 0.00 0.00 179.97 180.46 3h3a h PHE 184 N 1.15 1.08 -0.06 2.20 0.05 -0.71 -0.11 116.94 120.54 3h3a h PHE 184 Ca 0.30 0.03 0.04 0.00 3.82 0.00 0.00 57.97 62.16 3h3a h PHE 184 Cb -0.06 -0.36 -0.06 0.00 2.00 0.00 0.00 35.95 37.47 3h3a h PHE 184 CO 0.00 0.63 -0.38 0.93 -0.18 0.00 0.00 178.31 179.31 3h3a h GLU 185 N 1.12 -0.48 -0.46 1.51 5.08 -1.14 -0.29 114.58 119.94 3h3a h GLU 185 Ca 0.36 0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.66 3h3a h GLU 185 Cb 0.00 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 3h3a h GLU 185 CO -0.12 -0.32 -0.07 1.96 -1.00 0.00 0.00 179.01 179.46 3h3a h GLN 186 N -0.50 0.80 0.33 2.33 1.08 -1.52 0.24 115.11 117.88 3h3a h GLN 186 Ca 0.07 -0.25 -0.00 0.00 -1.45 0.00 0.00 58.65 57.02 3h3a h GLN 186 Cb 0.61 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.94 3h3a h GLN 186 CO -0.34 0.85 -0.32 -0.09 -0.95 0.00 0.00 178.83 177.98 3h3a h ARG 187 N 0.73 -0.65 -0.00 1.46 9.65 -0.53 -3.30 114.38 121.73 3h3a h ARG 187 Ca 0.13 0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.05 3h3a h ARG 187 Cb 0.55 0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.27 3h3a h ARG 187 CO 0.03 -0.43 -0.80 1.19 2.80 0.00 0.00 179.97 182.76 3h3a n PHE 188 N -5.43 0.00 -0.75 2.20 3.01 -0.16 -4.95 117.46 111.38 3h3a n PHE 188 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 3h3a n PHE 188 Cb 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.81 3h3a n PHE 188 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3h3a n ASP 189 N -1.34 -1.20 -4.16 4.37 8.00 0.84 -5.05 116.55 118.01 3h3a n ASP 189 Ca 0.04 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.24 3h3a n ASP 189 Cb 0.28 -0.20 0.21 0.00 -0.02 0.00 0.00 41.12 41.39 3h3a n ASP 189 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3h3a s PHE 190 N -2.69 1.23 0.23 1.24 2.99 -1.08 -4.96 117.98 114.94 3h3a s PHE 190 Ca 0.00 0.61 0.07 0.00 0.00 0.00 0.00 56.93 57.61 3h3a s PHE 190 Cb 0.00 -3.50 -0.05 0.00 0.00 0.00 0.00 43.02 39.47 3h3a s PHE 190 CO 0.00 -3.32 -0.11 -0.98 -0.00 0.00 0.00 175.22 170.81 3h3a s ARG 191 N -5.37 1.39 -0.29 0.44 1.70 -0.57 -4.49 118.95 111.75 3h3a s ARG 191 Ca 0.69 -1.65 -0.13 0.00 -0.47 0.00 0.00 55.73 54.18 3h3a s ARG 191 Cb -0.11 -1.11 -0.04 0.00 -0.57 0.00 0.00 34.95 33.12 3h3a s ARG 191 CO 0.56 0.13 0.26 0.42 -1.08 0.00 0.00 175.30 175.59 3h3a s ILE 192 N -3.00 5.26 0.84 4.99 1.01 -1.26 -0.88 121.20 128.16 3h3a s ILE 192 Ca 0.25 0.20 -0.12 0.00 0.00 0.00 0.00 60.65 60.98 3h3a s ILE 192 Cb 0.01 -3.63 0.10 0.00 0.01 0.00 0.00 42.46 38.95 3h3a s ILE 192 CO 0.08 0.16 1.16 -1.83 0.00 0.00 0.00 174.94 174.50 3h3a s GLU 193 N 1.86 1.54 0.18 2.79 4.04 -1.24 -4.63 118.70 123.24 3h3a s GLU 193 Ca 0.09 1.55 -0.18 0.00 0.04 0.00 0.00 54.97 56.48 3h3a s GLU 193 Cb -0.16 -1.79 0.13 0.00 0.02 0.00 0.00 34.13 32.33 3h3a s GLU 193 CO 0.11 -2.24 1.63 1.49 -1.84 0.00 0.00 175.26 174.41 3h3a h GLU 194 N -1.30 -0.08 -0.16 -4.83 4.81 -1.97 -1.53 114.58 109.52 3h3a h GLU 194 Ca -0.44 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 58.72 3h3a h GLU 194 Cb 1.27 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 3h3a h GLU 194 CO 0.45 -0.06 -0.21 1.15 -0.73 0.00 0.00 179.01 179.62 3h3a h THR 195 N -0.09 1.22 0.36 0.32 2.02 -1.98 0.15 112.91 114.92 3h3a h THR 195 Ca 0.22 -1.02 -0.02 0.00 0.77 0.00 0.00 66.41 66.37 3h3a h THR 195 Cb 0.43 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 3h3a h THR 195 CO -0.53 0.31 -0.17 0.71 0.37 0.00 0.00 175.52 176.21 3h3a h THR 196 N 0.25 0.52 -0.92 3.16 1.35 -1.79 -1.72 112.91 113.76 3h3a h THR 196 Ca 0.04 -0.64 0.19 0.00 -0.55 0.00 0.00 66.41 65.45 3h3a h THR 196 Cb 0.51 0.78 -0.17 0.00 -1.73 0.00 0.00 68.15 67.54 3h3a h THR 196 CO 0.03 0.10 -0.22 -0.08 -0.25 0.00 0.00 175.52 175.11 3h3a h GLU 197 N -0.90 0.00 -0.39 4.72 4.81 -0.33 0.90 114.58 123.39 3h3a h GLU 197 Ca -0.05 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3h3a h GLU 197 Cb 0.54 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 3h3a h GLU 197 CO 0.08 0.00 0.25 -0.09 -0.73 0.00 0.00 179.01 178.52 3h3a h ARG 198 N 0.00 0.49 -0.15 1.92 2.43 -0.76 -2.76 114.38 115.56 3h3a h ARG 198 Ca 0.45 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.50 3h3a h ARG 198 Cb 0.69 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 3h3a h ARG 198 CO -0.94 0.33 -0.30 1.25 -1.51 0.00 0.00 179.97 178.80 3h3a h LEU 199 N 0.51 0.29 0.28 3.80 7.12 0.15 -2.41 115.31 125.05 3h3a h LEU 199 Ca 0.14 -0.10 -0.01 0.00 0.13 0.00 0.00 57.88 58.04 3h3a h LEU 199 Cb -0.05 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.01 3h3a h LEU 199 CO -0.04 0.59 -0.14 0.25 -0.13 0.00 0.00 178.44 178.97 3h3a h LEU 200 N 0.26 -0.32 -0.95 2.25 6.46 -0.07 -2.85 115.31 120.10 3h3a h LEU 200 Ca 0.04 0.01 0.15 0.00 -0.12 0.00 0.00 57.88 57.95 3h3a h LEU 200 Cb 0.66 0.08 -0.15 0.00 -0.73 0.00 0.00 40.66 40.52 3h3a h LEU 200 CO 0.05 -0.22 -0.39 0.11 -0.62 0.00 0.00 178.44 177.37 3h3a h LYS 201 N -0.40 -0.02 -0.87 1.25 1.57 -1.42 0.19 116.57 116.86 3h3a h LYS 201 Ca -0.04 0.00 0.23 0.00 -1.87 0.00 0.00 60.65 58.97 3h3a h LYS 201 Cb 0.29 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.47 3h3a h LYS 201 CO 0.06 -0.01 0.29 1.96 -0.57 0.00 0.00 179.45 181.18 3h3a h GLN 202 N -0.02 0.27 -0.02 3.15 4.20 -1.42 0.37 115.11 121.63 3h3a h GLN 202 Ca 0.33 -0.02 -0.22 0.00 0.06 0.00 0.00 58.65 58.80 3h3a h GLN 202 Cb 0.59 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.31 3h3a h GLN 202 CO -0.95 0.18 -0.89 0.00 -0.67 0.00 0.00 178.83 176.50 3h3a h ALA 203 N 1.74 0.41 0.03 3.87 0.00 -0.44 0.26 119.26 125.14 3h3a h ALA 203 Ca 0.55 -0.68 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3h3a h ALA 203 Cb 1.08 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3h3a h ALA 203 CO -0.60 0.80 -0.02 0.28 0.00 0.00 0.00 179.25 179.72 3h3a h VAL 204 N 0.25 1.05 -0.00 0.00 2.07 0.17 0.29 116.25 120.09 3h3a h VAL 204 Ca -0.07 -0.27 -0.14 0.00 0.82 0.00 0.00 66.70 67.05 3h3a h VAL 204 Cb 1.51 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 32.50 3h3a h VAL 204 CO 0.15 0.07 -0.65 -0.33 0.02 0.00 0.00 177.57 176.84 3h3a h GLU 205 N -0.16 0.00 0.00 1.57 4.39 -0.36 -1.55 114.58 118.46 3h3a h GLU 205 Ca -0.00 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3h3a h GLU 205 Cb 0.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 3h3a h GLU 205 CO 0.01 0.65 0.00 -1.91 -1.16 0.00 0.00 179.01 176.59 3h3a n GLU 206 N -3.77 0.33 -1.14 2.33 0.00 0.91 -4.80 120.64 114.50 3h3a n GLU 206 Ca -0.01 0.05 -0.05 0.00 0.00 0.00 0.00 57.16 57.15 3h3a n GLU 206 Cb 0.64 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 30.56 3h3a n GLU 206 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3h3a n GLY 207 N -0.23 0.71 0.36 8.31 0.00 -0.58 -4.92 105.19 108.83 3h3a n GLY 207 Ca 0.08 -0.37 0.04 0.00 0.00 0.00 0.00 46.02 45.77 3h3a n GLY 207 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3h3a h TYR 208 N 0.00 1.03 -0.00 1.61 0.05 -0.56 -1.64 116.97 117.46 3h3a h TYR 208 Ca -0.10 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.71 3h3a h TYR 208 Cb 0.48 -0.34 0.00 0.00 1.01 0.00 0.00 36.73 37.88 3h3a h TYR 208 CO 0.24 0.55 -0.05 1.47 -1.05 0.00 0.00 178.16 179.32 3h3a n LEU 209 N -4.48 0.06 0.07 3.88 -0.00 -1.26 -1.60 117.00 113.67 3h3a n LEU 209 Ca 0.13 0.41 -0.06 0.00 -0.00 0.00 0.00 56.01 56.49 3h3a n LEU 209 Cb 0.19 -0.44 0.11 0.00 -0.00 0.00 0.00 43.42 43.28 3h3a n LEU 209 CO 0.33 0.01 0.48 -0.33 -0.00 0.00 0.00 177.39 177.88 3h3a h GLU 210 N 0.02 0.30 0.00 1.47 3.07 -1.50 -3.12 114.58 114.82 3h3a h GLU 210 Ca 0.00 -0.20 0.00 0.00 -0.50 0.00 0.00 59.36 58.66 3h3a h GLU 210 Cb 0.47 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 3h3a h GLU 210 CO 0.00 0.81 0.00 -2.13 -1.40 0.00 0.00 179.01 176.29 3h3a n ARG 211 N -3.89 0.56 -4.34 2.33 0.63 -0.63 -4.74 116.66 106.59 3h3a n ARG 211 Ca -0.03 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 56.66 3h3a n ARG 211 Cb 0.62 -1.16 -0.09 0.00 0.45 0.00 0.00 32.46 32.28 3h3a n ARG 211 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3h3a s THR 212 N -2.00 3.11 0.56 5.15 2.01 -1.18 -5.11 115.64 118.18 3h3a s THR 212 Ca 0.09 -1.98 -0.18 0.00 0.31 0.00 0.00 61.69 59.93 3h3a s THR 212 Cb 0.04 -2.62 -0.05 0.00 0.01 0.00 0.00 72.50 69.88 3h3a s THR 212 CO 0.07 -0.31 1.07 0.28 -0.69 0.00 0.00 174.62 175.04 3h3a s THR 213 N -2.19 3.60 0.02 -0.82 -1.32 -1.26 -4.95 115.64 108.71 3h3a s THR 213 Ca 0.29 0.86 -0.13 0.00 -1.21 0.00 0.00 61.69 61.50 3h3a s THR 213 Cb -0.07 -3.34 -0.07 0.00 -1.51 0.00 0.00 72.50 67.51 3h3a s THR 213 CO 0.17 -0.34 1.18 1.23 -2.21 0.00 0.00 174.62 174.65 3h3a h GLY 214 N 0.85 -0.49 -0.88 6.08 0.00 -1.97 -2.71 103.07 103.95 3h3a h GLY 214 Ca -0.48 0.18 0.28 0.00 0.00 0.00 0.00 47.33 47.31 3h3a h GLY 214 CO 0.57 -0.18 0.16 -1.05 0.00 0.00 0.00 176.54 176.05 3h3a n PRO 215 N -3.28 -0.06 0.15 4.80 -0.02 -1.26 -0.92 135.00 134.41 3h3a n PRO 215 Ca -0.06 1.29 -0.13 0.00 -2.02 0.00 0.00 63.50 62.58 3h3a n PRO 215 Cb 0.18 -2.13 -0.08 0.00 -0.02 0.00 0.00 33.50 31.46 3h3a n PRO 215 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h3a h ARG 216 N 0.00 -0.38 0.00 -0.52 3.08 -1.95 -1.41 114.38 113.20 3h3a h ARG 216 Ca 0.60 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.67 3h3a h ARG 216 Cb 1.38 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 31.51 3h3a h ARG 216 CO -0.78 -0.08 -0.05 -0.07 -1.07 0.00 0.00 179.97 177.92 3h3a h LEU 217 N -0.69 0.00 0.09 3.04 -0.00 -0.95 -2.95 115.31 113.84 3h3a h LEU 217 Ca -0.04 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.67 3h3a h LEU 217 Cb 0.48 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.15 3h3a h LEU 217 CO 0.07 0.05 -0.78 -0.09 -0.00 0.00 0.00 178.44 177.68 3h3a h ARG 218 N 0.00 0.20 -0.38 1.13 2.43 -0.91 -1.60 114.38 115.25 3h3a h ARG 218 Ca -0.00 -0.34 0.08 0.00 -0.81 0.00 0.00 59.98 58.91 3h3a h ARG 218 Cb 0.10 0.13 -0.09 0.00 -0.42 0.00 0.00 29.97 29.69 3h3a h ARG 218 CO 0.01 1.16 -0.21 0.37 -1.51 0.00 0.00 179.97 179.79 3h3a h GLN 219 N -0.55 -0.14 -0.65 0.20 4.15 -1.21 0.23 115.11 117.14 3h3a h GLN 219 Ca -0.16 0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.30 3h3a h GLN 219 Cb 1.50 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 29.17 3h3a h GLN 219 CO 0.07 -0.10 0.40 1.49 -1.93 0.00 0.00 178.83 178.77 3h3a h GLU 220 N -0.15 0.75 -0.77 1.69 4.57 -1.58 -0.64 114.58 118.46 3h3a h GLU 220 Ca 0.19 -0.05 0.07 0.00 -1.18 0.00 0.00 59.36 58.39 3h3a h GLU 220 Cb 0.44 -0.17 -0.06 0.00 -0.16 0.00 0.00 28.75 28.80 3h3a h GLU 220 CO -0.47 0.50 0.45 1.25 -1.18 0.00 0.00 179.01 179.55 3h3a h LEU 221 N 0.78 0.67 -0.27 1.64 7.12 -0.17 -1.57 115.31 123.50 3h3a h LEU 221 Ca 0.27 0.03 -0.00 0.00 0.13 0.00 0.00 57.88 58.31 3h3a h LEU 221 Cb 0.04 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.06 3h3a h LEU 221 CO -0.11 0.41 0.16 -0.33 -0.13 0.00 0.00 178.44 178.44 3h3a h GLU 222 N 0.80 0.36 -0.46 1.25 5.08 0.85 -2.69 114.58 119.76 3h3a h GLU 222 Ca 0.35 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.75 3h3a h GLU 222 Cb 0.24 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 3h3a h GLU 222 CO -0.20 0.28 0.10 0.87 -1.00 0.00 0.00 179.01 179.06 3h3a h LYS 223 N 0.34 0.23 -0.93 2.33 1.57 -0.51 -1.25 116.57 118.35 3h3a h LYS 223 Ca 0.10 -0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.99 3h3a h LYS 223 Cb 0.01 -0.05 -0.09 0.00 0.08 0.00 0.00 32.23 32.18 3h3a h LYS 223 CO -0.02 0.15 0.55 0.82 -0.57 0.00 0.00 179.45 180.38 3h3a h ILE 224 N 0.24 0.84 0.00 1.86 2.04 -1.02 0.06 117.51 121.53 3h3a h ILE 224 Ca 0.23 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 3h3a h ILE 224 Cb 0.29 -0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.30 3h3a h ILE 224 CO -0.29 0.15 -0.09 -0.07 0.00 0.00 0.00 178.15 177.85 3h3a h LEU 225 N 0.83 0.00 -0.05 1.44 3.38 -0.96 -2.89 115.31 117.07 3h3a h LEU 225 Ca 0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.45 3h3a h LEU 225 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3h3a h LEU 225 CO -0.30 0.09 -0.60 1.21 0.09 0.00 0.00 178.44 178.93 3h3a n GLU 226 N -3.17 0.07 -1.98 1.13 2.13 -0.12 -4.81 120.64 113.90 3h3a n GLU 226 Ca 0.02 -0.05 -0.29 0.00 0.66 0.00 0.00 57.16 57.50 3h3a n GLU 226 Cb 0.45 -1.50 0.17 0.00 0.27 0.00 0.00 31.44 30.83 3h3a n GLU 226 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 3h3a s GLU 227 N -2.96 0.86 0.11 5.31 2.56 -0.45 -4.98 118.70 119.15 3h3a s GLU 227 Ca 0.11 -0.41 -0.24 0.00 0.00 0.00 0.00 54.97 54.43 3h3a s GLU 227 Cb 0.17 -1.90 -0.07 0.00 2.00 0.00 0.00 34.13 34.34 3h3a s GLU 227 CO 0.73 -2.25 1.41 -0.22 -0.56 0.00 0.00 175.26 174.36 3h3a h LYS 228 N -1.49 -0.15 -4.54 4.30 3.64 -1.86 -3.39 116.57 113.09 3h3a h LYS 228 Ca -0.44 0.01 -0.57 0.00 -1.27 0.00 0.00 60.65 58.38 3h3a h LYS 228 Cb 1.25 0.03 -0.36 0.00 -0.41 0.00 0.00 32.23 32.74 3h3a h LYS 228 CO 0.41 -0.10 -0.82 1.21 -2.27 0.00 0.00 179.45 177.88 3h3a s ASN 229 N -4.67 2.41 -0.23 4.20 3.84 -1.26 -5.01 114.94 114.22 3h3a s ASN 229 Ca -0.10 -0.40 -0.19 0.00 0.21 0.00 0.00 52.86 52.38 3h3a s ASN 229 Cb 0.07 -1.03 -0.17 0.00 -0.55 0.00 0.00 41.25 39.57 3h3a s ASN 229 CO 0.46 -0.05 0.04 -0.81 -2.79 0.00 0.00 177.10 173.95 3h3a n PRO 230 N 4.62 0.58 0.01 0.43 -0.05 -1.26 -3.87 135.00 135.46 3h3a n PRO 230 Ca -0.16 0.47 -0.13 0.00 -0.05 0.00 0.00 63.50 63.63 3h3a n PRO 230 Cb 0.50 -1.67 -0.08 0.00 -0.05 0.00 0.00 33.50 32.21 3h3a n PRO 230 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 175.50 176.70 3h3a h LEU 231 N -0.96 -1.40 -1.26 1.53 6.46 -1.95 0.53 115.31 118.25 3h3a h LEU 231 Ca -0.46 0.16 0.24 0.00 -0.12 0.00 0.00 57.88 57.70 3h3a h LEU 231 Cb 1.43 0.54 -0.10 0.00 -0.73 0.00 0.00 40.66 41.80 3h3a h LEU 231 CO -0.27 -0.41 0.64 0.50 -0.62 0.00 0.00 178.44 178.27 3h3a h LYS 232 N -0.51 0.48 0.00 1.25 3.64 -1.99 0.95 116.57 120.39 3h3a h LYS 232 Ca 0.02 -0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 59.22 3h3a h LYS 232 Cb 0.58 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 3h3a h LYS 232 CO -0.33 0.32 -0.76 0.66 -2.27 0.00 0.00 179.45 177.07 3h3a h SER 233 N 0.50 0.00 -0.05 4.20 4.64 -1.39 -0.24 113.55 121.20 3h3a h SER 233 Ca 0.58 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.89 3h3a h SER 233 Cb 1.30 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3h3a h SER 233 CO -0.33 0.70 -0.03 0.40 -0.87 0.00 0.00 176.83 176.71 3h3a h ILE 234 N 0.00 1.35 -0.74 0.95 2.04 0.13 0.38 117.51 121.61 3h3a h ILE 234 Ca -0.02 -1.08 0.05 0.00 1.00 0.00 0.00 64.86 64.80 3h3a h ILE 234 Cb 1.55 1.98 -0.04 0.00 -0.74 0.00 0.00 36.82 39.56 3h3a h ILE 234 CO 0.09 0.29 0.49 0.03 0.00 0.00 0.00 178.15 179.05 3h3a h ARG 235 N -0.31 0.83 0.57 2.37 3.08 -1.09 0.29 114.38 120.12 3h3a h ARG 235 Ca 0.01 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 3h3a h ARG 235 Cb 0.49 -0.19 0.01 0.00 0.08 0.00 0.00 29.97 30.35 3h3a h ARG 235 CO 0.01 0.55 -0.27 -0.09 -1.07 0.00 0.00 179.97 179.10 3h3a h ARG 236 N 0.86 -0.74 -1.21 0.04 9.65 -0.94 -2.39 114.38 119.65 3h3a h ARG 236 Ca 0.31 0.05 0.37 0.00 -1.10 0.00 0.00 59.98 59.61 3h3a h ARG 236 Cb 0.14 0.17 -0.12 0.00 -1.39 0.00 0.00 29.97 28.77 3h3a h ARG 236 CO -0.10 -0.43 0.78 1.98 2.80 0.00 0.00 179.97 185.00 3h3a h MET 237 N -0.97 0.19 0.76 0.20 4.05 0.74 -0.41 114.93 119.49 3h3a h MET 237 Ca -0.08 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.29 3h3a h MET 237 Cb 0.65 -0.04 0.01 0.00 -0.80 0.00 0.00 31.60 31.41 3h3a h MET 237 CO 0.13 0.12 -0.37 0.00 0.23 0.00 0.00 176.91 177.03 3h3a h ALA 238 N 1.62 -1.02 -0.98 0.39 0.00 0.02 -2.61 119.26 116.67 3h3a h ALA 238 Ca 0.74 -0.23 0.24 0.00 0.00 0.00 0.00 54.91 55.66 3h3a h ALA 238 Cb 2.18 0.40 -0.18 0.00 0.00 0.00 0.00 17.79 20.18 3h3a h ALA 238 CO -0.38 -1.06 -0.07 1.96 0.00 0.00 0.00 179.25 179.70 3h3a h GLN 239 N -1.06 0.01 0.00 0.00 4.20 -0.60 0.65 115.11 118.31 3h3a h GLN 239 Ca -0.10 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.61 3h3a h GLN 239 Cb 0.79 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.57 3h3a h GLN 239 CO 0.17 0.01 0.00 1.19 -0.67 0.00 0.00 178.83 179.53 3h3a n PHE 240 N -5.53 0.00 -2.69 2.96 3.72 -1.10 -4.90 117.46 109.92 3h3a n PHE 240 Ca 0.20 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.44 3h3a n PHE 240 Cb 0.65 -0.22 0.02 0.00 -0.94 0.00 0.00 39.48 38.99 3h3a n PHE 240 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3h3a n ASP 241 N -1.22 -4.91 0.04 4.37 9.92 0.23 -4.85 116.55 120.13 3h3a n ASP 241 Ca 0.15 -0.16 -0.08 0.00 -0.53 0.00 0.00 54.79 54.17 3h3a n ASP 241 Cb 0.19 -3.84 -0.13 0.00 -0.64 0.00 0.00 41.12 36.70 3h3a n ASP 241 CO 0.00 0.00 0.00 -0.37 0.13 0.00 0.00 177.20 176.96 3h3a h VAL 242 N -0.77 1.40 -0.06 2.53 -1.51 -1.71 -3.31 116.25 112.82 3h3a h VAL 242 Ca -0.39 -3.15 0.04 0.00 -1.23 0.00 0.00 66.70 61.97 3h3a h VAL 242 Cb 1.28 2.71 -0.06 0.00 -2.13 0.00 0.00 31.29 33.09 3h3a h VAL 242 CO 0.43 0.81 -0.31 0.40 -1.23 0.00 0.00 177.57 177.67 3h3a h ILE 243 N 0.01 0.32 -0.06 7.19 2.04 -1.89 0.19 117.51 125.31 3h3a h ILE 243 Ca -0.12 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.76 3h3a h ILE 243 Cb 1.87 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 38.26 3h3a h ILE 243 CO 0.12 0.00 0.12 0.11 0.00 0.00 0.00 178.15 178.50 3h3a h LYS 244 N -0.42 0.00 -0.01 2.37 1.57 -1.78 -1.55 116.57 116.74 3h3a h LYS 244 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3h3a h LYS 244 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3h3a h LYS 244 CO -0.30 0.00 -0.60 0.72 -0.57 0.00 0.00 179.45 178.70 3h3a n HIS 245 N -3.40 0.00 -0.09 -1.35 8.25 0.45 -3.82 115.22 115.26 3h3a n HIS 245 Ca -0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.33 3h3a n HIS 245 Cb 0.20 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.26 3h3a n HIS 245 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3h3a n LEU 246 N -0.52 1.84 -4.21 2.41 4.77 0.00 -4.39 117.00 116.91 3h3a n LEU 246 Ca 0.07 0.54 -0.40 0.00 -0.03 0.00 0.00 56.01 56.19 3h3a n LEU 246 Cb 0.39 -0.89 -0.10 0.00 -2.33 0.00 0.00 43.42 40.50 3h3a n LEU 246 CO 0.31 -0.18 -0.08 -0.36 -1.33 0.00 0.00 177.39 175.74 3h3a s PHE 247 N -2.33 3.42 0.29 -1.77 2.99 -0.65 -4.99 117.98 114.93 3h3a s PHE 247 Ca -0.21 -1.86 0.04 0.00 0.00 0.00 0.00 56.93 54.90 3h3a s PHE 247 Cb 0.04 -3.23 0.75 0.00 0.00 0.00 0.00 43.02 40.57 3h3a s PHE 247 CO 0.36 -0.94 1.66 -1.35 -0.00 0.00 0.00 175.22 174.96 3h3a h PRO 248 N 8.35 0.26 -4.71 0.24 0.11 -1.84 -3.29 132.00 131.14 3h3a h PRO 248 Ca -0.20 -0.02 -0.69 0.00 0.11 0.00 0.00 66.00 65.20 3h3a h PRO 248 Cb 1.07 -0.06 -0.31 0.00 0.11 0.00 0.00 31.00 31.81 3h3a h PRO 248 CO 0.79 0.17 -0.65 0.15 -0.21 0.00 0.00 178.00 178.25 3h3a s LYS 249 N -5.90 2.46 -0.10 1.05 3.01 -1.26 -4.88 119.74 114.11 3h3a s LYS 249 Ca -0.12 -1.29 -0.30 0.00 -1.01 0.00 0.00 55.97 53.25 3h3a s LYS 249 Cb 0.26 -3.33 0.12 0.00 -1.01 0.00 0.00 37.83 33.87 3h3a s LYS 249 CO 0.77 -0.68 0.98 0.99 0.51 0.00 0.00 175.35 177.92 3h3a s THR 250 N 1.30 0.00 -0.11 2.17 2.01 -1.24 -4.87 115.64 114.90 3h3a s THR 250 Ca -0.03 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.94 3h3a s THR 250 Cb -0.20 -1.00 0.06 0.00 0.01 0.00 0.00 72.50 71.37 3h3a s THR 250 CO 0.00 0.00 0.17 -0.31 -0.69 0.00 0.00 174.62 173.79 3h3a s TYR 251 N -2.06 -0.19 -0.89 4.92 2.02 -1.26 -4.73 117.35 115.17 3h3a s TYR 251 Ca 0.02 0.52 -0.25 0.00 -0.37 0.00 0.00 57.07 57.00 3h3a s TYR 251 Cb -0.01 -0.29 0.02 0.00 -0.40 0.00 0.00 41.96 41.28 3h3a s TYR 251 CO -0.03 -0.34 1.57 -0.47 -1.57 0.00 0.00 175.55 174.71 3h3a s TYR 252 N 2.30 2.22 0.34 2.71 5.04 -1.26 -4.72 117.35 123.98 3h3a s TYR 252 Ca 0.03 -0.17 0.08 0.00 -2.44 0.00 0.00 57.07 54.58 3h3a s TYR 252 Cb -0.13 -4.47 -0.04 0.00 0.35 0.00 0.00 41.96 37.67 3h3a s TYR 252 CO -0.07 -1.97 0.20 0.95 -1.34 0.00 0.00 175.55 173.33 3h3a s THR 253 N 6.72 3.23 0.19 4.34 -4.23 -1.26 -4.89 115.64 119.74 3h3a s THR 253 Ca 0.51 -1.57 0.28 0.00 -1.18 0.00 0.00 61.69 59.74 3h3a s THR 253 Cb -0.05 -3.06 0.28 0.00 1.34 0.00 0.00 72.50 71.01 3h3a s THR 253 CO 0.01 -0.18 1.84 -0.65 -0.54 0.00 0.00 174.62 175.10 3h3a h PRO 254 N 1.43 0.00 -0.01 3.99 0.11 -1.99 0.20 132.00 135.73 3h3a h PRO 254 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3h3a h PRO 254 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3h3a h PRO 254 CO 0.61 0.00 -0.63 -1.13 -0.21 0.00 0.00 178.00 176.64 3h3a n SER 255 N -2.54 1.55 -0.13 -2.05 3.41 -1.26 -2.76 113.62 109.84 3h3a n SER 255 Ca -0.02 -1.27 -0.26 0.00 -0.26 0.00 0.00 58.87 57.05 3h3a n SER 255 Cb 0.13 0.68 -0.10 0.00 -0.26 0.00 0.00 64.21 64.66 3h3a n SER 255 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 3h3a n MET 256 N -0.59 0.58 -0.26 4.33 0.00 0.29 -4.33 117.12 117.13 3h3a n MET 256 Ca 0.07 0.36 -0.06 0.00 -0.00 0.00 0.00 57.70 58.07 3h3a n MET 256 Cb 0.39 -1.57 -0.02 0.00 0.00 0.00 0.00 33.22 32.02 3h3a n MET 256 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 175.97 176.19 3h3a h ASP 257 N -1.00 -1.48 -1.00 6.12 1.82 -0.92 -1.54 116.42 118.43 3h3a h ASP 257 Ca -0.56 0.26 0.23 0.00 -0.39 0.00 0.00 57.03 56.58 3h3a h ASP 257 Cb 1.48 0.70 -0.10 0.00 0.68 0.00 0.00 39.33 42.09 3h3a h ASP 257 CO -0.34 -0.31 0.63 -0.08 -1.61 0.00 0.00 179.24 177.53 3h3a h GLU 258 N -0.15 0.51 -0.06 0.28 4.81 -1.72 0.73 114.58 118.99 3h3a h GLU 258 Ca 0.22 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 3h3a h GLU 258 Cb 0.56 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 3h3a h GLU 258 CO -0.77 0.34 0.00 0.87 -0.73 0.00 0.00 179.01 178.72 3h3a h LYS 259 N 0.53 0.10 -0.75 1.92 1.57 -1.49 -2.39 116.57 116.05 3h3a h LYS 259 Ca 0.57 -0.03 0.17 0.00 -1.87 0.00 0.00 60.65 59.49 3h3a h LYS 259 Cb 1.23 -0.01 -0.13 0.00 0.08 0.00 0.00 32.23 33.41 3h3a h LYS 259 CO -0.32 0.36 0.04 1.98 -0.57 0.00 0.00 179.45 180.95 3h3a h MET 260 N -0.18 0.13 0.21 3.15 4.05 0.97 0.32 114.93 123.57 3h3a h MET 260 Ca 0.02 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 3h3a h MET 260 Cb 0.32 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.08 3h3a h MET 260 CO 0.00 0.08 -0.17 1.49 0.23 0.00 0.00 176.91 178.54 3h3a h GLU 261 N 0.13 -0.38 -0.48 0.39 4.81 -0.89 -2.22 114.58 115.94 3h3a h GLU 261 Ca 0.41 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.77 3h3a h GLU 261 Cb 0.73 0.09 -0.10 0.00 0.63 0.00 0.00 28.75 30.10 3h3a h GLU 261 CO -0.63 -0.26 -0.19 -0.91 -0.73 0.00 0.00 179.01 176.29 3h3a h ASN 262 N -0.40 -0.67 -0.41 1.04 4.21 -0.60 -1.71 115.58 117.05 3h3a h ASN 262 Ca -0.01 0.17 0.07 0.00 1.21 0.00 0.00 56.30 57.74 3h3a h ASN 262 Cb 0.36 0.38 -0.09 0.00 -1.12 0.00 0.00 38.32 37.85 3h3a h ASN 262 CO -0.02 -0.22 -0.40 0.25 -1.29 0.00 0.00 177.43 175.75 3h3a h LEU 263 N -0.08 -1.32 -0.98 1.61 5.85 -0.07 -2.36 115.31 117.96 3h3a h LEU 263 Ca 0.23 0.21 -0.03 0.00 0.84 0.00 0.00 57.88 59.13 3h3a h LEU 263 Cb 0.44 0.59 -0.00 0.00 0.37 0.00 0.00 40.66 42.05 3h3a h LEU 263 CO -0.54 -0.36 -0.13 -0.26 -0.34 0.00 0.00 178.44 176.81 3h3a h PHE 264 N -0.30 0.00 -0.18 1.25 -1.00 -1.04 -1.62 116.94 114.04 3h3a h PHE 264 Ca 0.15 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.80 3h3a h PHE 264 Cb 0.57 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.12 3h3a h PHE 264 CO -0.60 0.13 -0.44 -0.09 -1.61 0.00 0.00 178.31 175.71 3h3a h ARG 265 N 0.00 0.43 -0.00 1.51 2.43 -0.77 -3.34 114.38 114.65 3h3a h ARG 265 Ca -0.00 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 3h3a h ARG 265 Cb 0.75 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 3h3a h ARG 265 CO 0.02 0.79 -0.14 0.27 -1.51 0.00 0.00 179.97 179.40 3h3a n ASN 266 N -4.01 0.78 -0.32 -3.80 2.04 -1.16 -4.47 115.26 104.32 3h3a n ASN 266 Ca -0.02 -0.89 0.21 0.00 -0.44 0.00 0.00 54.58 53.44 3h3a n ASN 266 Cb 0.52 0.57 0.43 0.00 -2.53 0.00 0.00 39.78 38.77 3h3a n ASN 266 CO 0.00 0.00 0.00 0.40 -0.44 0.00 0.00 177.26 177.22 3h3a h ILE 267 N 0.50 0.27 -0.96 1.53 2.04 -1.41 0.58 117.51 120.06 3h3a h ILE 267 Ca 0.00 -0.09 0.10 0.00 1.00 0.00 0.00 64.86 65.87 3h3a h ILE 267 Cb 0.18 -0.01 -0.07 0.00 -0.74 0.00 0.00 36.82 36.17 3h3a h ILE 267 CO 0.00 0.05 0.62 -0.65 0.00 0.00 0.00 178.15 178.17 3h3a h PRO 268 N 0.26 0.98 -0.50 2.37 0.11 -1.78 0.19 132.00 133.63 3h3a h PRO 268 Ca 0.69 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.66 3h3a h PRO 268 Cb 1.55 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.43 3h3a h PRO 268 CO -0.64 0.65 0.01 2.35 -0.21 0.00 0.00 178.00 180.15 3h3a h TRP 269 N 1.00 0.95 -0.09 0.65 2.91 -0.21 -0.90 115.95 120.26 3h3a h TRP 269 Ca 0.45 -0.16 0.01 0.00 1.13 0.00 0.00 58.89 60.32 3h3a h TRP 269 Cb 0.38 -0.25 -0.01 0.00 -0.51 0.00 0.00 29.16 28.76 3h3a h TRP 269 CO -0.00 0.89 0.01 0.28 -1.03 0.00 0.00 178.44 178.58 3h3a h VAL 270 N 0.74 0.95 -0.94 2.65 2.07 0.36 -1.71 116.25 120.36 3h3a h VAL 270 Ca 0.14 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.67 3h3a h VAL 270 Cb 0.51 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 3h3a h VAL 270 CO 0.02 0.01 0.62 -0.33 0.02 0.00 0.00 177.57 177.92 3h3a h GLU 271 N 0.04 1.21 -0.56 1.57 5.08 -0.60 0.13 114.58 121.46 3h3a h GLU 271 Ca 0.04 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3h3a h GLU 271 Cb 0.04 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 28.99 3h3a h GLU 271 CO -0.07 0.80 0.30 0.93 -1.00 0.00 0.00 179.01 179.98 3h3a h GLU 272 N 1.24 0.78 0.00 2.33 5.08 -0.33 -2.77 114.58 120.91 3h3a h GLU 272 Ca 0.36 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3h3a h GLU 272 Cb -0.09 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.01 3h3a h GLU 272 CO -0.09 0.60 -1.36 0.09 -1.00 0.00 0.00 179.01 177.25 3h3a n ASN 273 N -4.61 0.98 0.00 1.42 4.13 -0.72 -4.72 115.26 111.74 3h3a n ASN 273 Ca 0.03 -0.37 0.00 0.00 1.68 0.00 0.00 54.58 55.92 3h3a n ASN 273 Cb 0.09 1.45 0.00 0.00 -1.54 0.00 0.00 39.78 39.78 3h3a n ASN 273 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3h3a n PHE 274 N -1.80 0.00 0.00 3.10 3.72 0.43 -5.10 117.46 117.82 3h3a n PHE 274 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 3h3a n PHE 274 Cb 0.36 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.90 3h3a n PHE 274 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h3a n GLY 275 N 2.13 -0.28 3.43 1.37 0.00 -1.05 -4.99 105.19 105.80 3h3a n GLY 275 Ca 0.00 -2.25 -0.46 0.00 0.00 0.00 0.00 46.02 43.31 3h3a n GLY 275 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3h3a n GLU 276 N -0.09 0.34 -4.47 1.61 2.13 -1.26 -3.80 120.64 115.09 3h3a n GLU 276 Ca 0.00 0.12 -0.32 0.00 0.66 0.00 0.00 57.16 57.62 3h3a n GLU 276 Cb 0.00 -1.23 -0.16 0.00 0.27 0.00 0.00 31.44 30.31 3h3a n GLU 276 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3h3a s VAL 277 N -1.16 1.96 -0.74 6.31 1.01 -1.26 -4.81 120.40 121.72 3h3a s VAL 277 Ca 0.62 -0.91 -0.27 0.00 0.00 0.00 0.00 61.98 61.42 3h3a s VAL 277 Cb -0.81 -1.76 0.03 0.00 0.00 0.00 0.00 36.38 33.85 3h3a s VAL 277 CO 0.58 0.53 1.28 -0.62 0.00 0.00 0.00 175.10 176.87 3h3a s ASP 278 N 0.99 6.16 0.22 3.32 -1.08 -1.26 -4.86 116.67 120.15 3h3a s ASP 278 Ca -0.03 -0.44 -0.09 0.00 -0.52 0.00 0.00 52.55 51.47 3h3a s ASP 278 Cb -0.15 -2.56 0.32 0.00 -1.46 0.00 0.00 42.92 39.07 3h3a s ASP 278 CO -0.05 -1.84 1.73 0.03 0.52 0.00 0.00 175.17 175.56 3h3a h ARG 279 N 10.05 0.37 -0.45 4.34 3.08 -1.97 -0.29 114.38 129.51 3h3a h ARG 279 Ca -0.28 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 59.81 3h3a h ARG 279 Cb 1.05 -0.08 -0.09 0.00 0.08 0.00 0.00 29.97 30.93 3h3a h ARG 279 CO 1.28 0.25 -0.51 0.35 -1.07 0.00 0.00 179.97 180.27 3h3a h PHE 280 N 0.38 -1.52 0.48 3.04 3.57 -1.93 0.16 116.94 121.12 3h3a h PHE 280 Ca 0.33 0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.89 3h3a h PHE 280 Cb 0.45 0.73 -0.01 0.00 2.79 0.00 0.00 35.95 39.91 3h3a h PHE 280 CO -0.19 -0.47 -0.32 1.88 -2.23 0.00 0.00 178.31 176.99 3h3a h TYR 281 N -0.34 -0.83 -1.21 0.41 -1.99 -1.69 -0.31 116.97 111.00 3h3a h TYR 281 Ca 0.11 -0.01 0.45 0.00 2.00 0.00 0.00 58.73 61.29 3h3a h TYR 281 Cb 0.59 0.30 -0.16 0.00 2.00 0.00 0.00 36.73 39.46 3h3a h TYR 281 CO -0.71 -0.48 0.73 0.00 -0.00 0.00 0.00 178.16 177.71 3h3a h ALA 282 N -0.32 2.54 0.14 3.88 0.00 -0.63 0.16 119.26 125.03 3h3a h ALA 282 Ca -0.05 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3h3a h ALA 282 Cb 0.64 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3h3a h ALA 282 CO 0.04 -1.28 -0.07 0.28 0.00 0.00 0.00 179.25 178.23 3h3a h VAL 283 N 0.00 0.81 -0.92 0.00 2.07 -0.08 -3.30 116.25 114.84 3h3a h VAL 283 Ca 0.87 -1.22 0.26 0.00 0.82 0.00 0.00 66.70 67.43 3h3a h VAL 283 Cb 2.58 1.40 -0.16 0.00 -1.52 0.00 0.00 31.29 33.59 3h3a h VAL 283 CO -0.61 0.23 0.17 -0.07 0.02 0.00 0.00 177.57 177.31 3h3a h LEU 284 N -0.91 -0.18 -0.41 2.57 -0.00 0.95 0.92 115.31 118.26 3h3a h LEU 284 Ca -0.02 0.23 0.04 0.00 -0.00 0.00 0.00 57.88 58.13 3h3a h LEU 284 Cb 0.51 0.36 -0.05 0.00 -0.00 0.00 0.00 40.66 41.48 3h3a h LEU 284 CO 0.03 -0.26 -0.27 0.45 -0.00 0.00 0.00 178.44 178.39 3h3a h HIS 285 N 0.10 -0.87 -0.58 1.13 3.86 -1.22 2.64 115.15 120.22 3h3a h HIS 285 Ca 0.59 0.06 -0.05 0.00 -1.16 0.00 0.00 60.37 59.80 3h3a h HIS 285 Cb 1.23 0.43 -0.03 0.00 1.06 0.00 0.00 27.41 30.11 3h3a h HIS 285 CO -0.34 -0.19 0.14 0.28 0.86 0.00 0.00 177.93 178.69 3h3a h VAL 286 N -0.04 1.23 -0.10 2.45 2.07 -1.02 -3.02 116.25 117.82 3h3a h VAL 286 Ca 0.07 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 3h3a h VAL 286 Cb 0.21 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3h3a h VAL 286 CO -0.40 0.32 0.02 -0.26 0.02 0.00 0.00 177.57 177.26 3h3a h PHE 287 N 0.86 0.17 0.00 1.57 -1.00 0.45 -3.30 116.94 115.70 3h3a h PHE 287 Ca 0.19 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.94 3h3a h PHE 287 Cb 0.31 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 39.82 3h3a h PHE 287 CO 0.02 0.36 0.00 1.28 -1.61 0.00 0.00 178.31 178.36 3h3a n LEU 288 N -4.86 0.00 -4.69 1.54 7.99 0.87 -4.73 117.00 113.13 3h3a n LEU 288 Ca -0.06 0.00 -0.32 0.00 -0.01 0.00 0.00 56.01 55.62 3h3a n LEU 288 Cb 0.17 0.00 0.14 0.00 -0.11 0.00 0.00 43.42 43.62 3h3a n LEU 288 CO 0.35 0.00 0.73 -1.61 -1.51 0.00 0.00 177.39 175.35 3h3a s GLU 289 N -2.00 1.43 -1.24 3.23 2.02 -1.18 -3.83 118.70 117.12 3h3a s GLU 289 Ca 0.35 1.66 -0.02 0.00 0.02 0.00 0.00 54.97 56.98 3h3a s GLU 289 Cb 0.16 -1.76 -0.01 0.00 0.10 0.00 0.00 34.13 32.62 3h3a s GLU 289 CO 0.27 -2.35 0.81 1.19 0.02 0.00 0.00 175.26 175.20 3h3a n PHE 290 N -3.66 -2.04 -3.78 1.61 0.99 -1.26 -4.95 117.46 104.37 3h3a n PHE 290 Ca 0.13 0.85 -0.37 0.00 -0.00 0.00 0.00 57.45 58.06 3h3a n PHE 290 Cb 0.51 -4.53 -0.13 0.00 -1.00 0.00 0.00 39.48 34.33 3h3a n PHE 290 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.76 177.47 3h3a s TYR 291 N -3.54 3.17 0.51 1.38 2.02 -1.25 -5.08 117.35 114.55 3h3a s TYR 291 Ca 0.06 -1.17 -0.23 0.00 -0.37 0.00 0.00 57.07 55.37 3h3a s TYR 291 Cb -0.01 -2.24 -0.06 0.00 -0.40 0.00 0.00 41.96 39.25 3h3a s TYR 291 CO 0.78 -0.63 1.36 0.34 -1.57 0.00 0.00 175.55 175.83 3h3a s ASP 292 N 1.45 5.55 0.48 2.29 -1.08 -1.26 -4.80 116.67 119.31 3h3a s ASP 292 Ca 0.01 2.76 0.25 0.00 -0.52 0.00 0.00 52.55 55.05 3h3a s ASP 292 Cb -0.18 -2.64 1.31 0.00 -1.46 0.00 0.00 42.92 39.95 3h3a s ASP 292 CO 0.02 -1.38 1.87 0.44 0.52 0.00 0.00 175.17 176.64 3h3a h ASP 293 N 1.79 0.18 1.71 -0.34 3.45 -2.00 0.41 116.42 121.63 3h3a h ASP 293 Ca -0.51 0.02 0.00 0.00 0.43 0.00 0.00 57.03 56.98 3h3a h ASP 293 Cb 1.28 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 40.04 3h3a h ASP 293 CO 0.59 0.07 0.00 1.05 -1.57 0.00 0.00 179.24 179.37 3h3a h GLU 294 N 0.18 0.00 0.00 3.56 -0.00 -2.00 -2.11 114.58 114.21 3h3a h GLU 294 Ca 0.45 0.00 -0.09 0.00 -0.00 0.00 0.00 59.36 59.72 3h3a h GLU 294 Cb 1.48 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.21 3h3a h GLU 294 CO -0.09 0.00 -0.74 0.77 -0.00 0.00 0.00 179.01 178.95 3h3a h SER 295 N 0.00 0.00 0.11 3.06 0.02 -0.54 -3.37 113.55 112.83 3h3a h SER 295 Ca 0.00 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.58 3h3a h SER 295 Cb 0.85 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.35 3h3a h SER 295 CO 0.00 0.38 -2.15 1.87 -1.14 0.00 0.00 176.83 175.79 3h3a n TRP 296 N -3.04 0.75 0.18 3.45 -0.00 -0.96 -3.09 117.44 114.72 3h3a n TRP 296 Ca -0.01 0.17 0.11 0.00 -0.00 0.00 0.00 57.50 57.77 3h3a n TRP 296 Cb 0.71 -1.10 0.56 0.00 -0.00 0.00 0.00 31.31 31.47 3h3a n TRP 296 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 3h3a n LYS 297 N -3.32 0.14 -0.10 5.87 3.00 -0.80 -0.77 118.16 122.18 3h3a n LYS 297 Ca -0.35 0.62 -0.15 0.00 -0.00 0.00 0.00 58.31 58.43 3h3a n LYS 297 Cb 1.04 -1.93 -0.05 0.00 0.00 0.00 0.00 35.03 34.08 3h3a n LYS 297 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 3h3a n GLU 298 N -2.23 0.51 -0.30 1.64 2.13 -1.26 -3.02 120.64 118.12 3h3a n GLU 298 Ca -0.01 0.21 0.00 0.00 0.66 0.00 0.00 57.16 58.02 3h3a n GLU 298 Cb 0.05 -1.38 0.07 0.00 0.27 0.00 0.00 31.44 30.45 3h3a n GLU 298 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3h3a h VAL 299 N -0.93 0.12 -0.39 6.31 2.07 -1.37 4.28 116.25 126.34 3h3a h VAL 299 Ca -0.22 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.41 3h3a h VAL 299 Cb 1.14 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 3h3a h VAL 299 CO -0.13 0.00 0.28 -0.09 0.02 0.00 0.00 177.57 177.64 3h3a h ARG 300 N -0.04 0.04 0.12 1.57 2.43 -1.16 -2.34 114.38 115.00 3h3a h ARG 300 Ca 0.35 -0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 59.18 3h3a h ARG 300 Cb 0.60 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 3h3a h ARG 300 CO -0.85 0.03 -1.76 0.22 -1.51 0.00 0.00 179.97 176.09 3h3a h ASP 301 N 0.04 0.41 -0.14 -3.80 1.82 0.76 -2.83 116.42 112.68 3h3a h ASP 301 Ca 0.18 -0.71 -0.05 0.00 -0.39 0.00 0.00 57.03 56.06 3h3a h ASP 301 Cb 0.68 -0.13 -0.00 0.00 0.68 0.00 0.00 39.33 40.55 3h3a h ASP 301 CO -0.01 1.61 -0.11 -0.09 -1.61 0.00 0.00 179.24 179.04 3h3a h ARG 302 N 0.07 0.32 0.00 0.28 2.43 0.24 -3.42 114.38 114.30 3h3a h ARG 302 Ca -0.33 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 3h3a h ARG 302 Cb 2.04 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.59 3h3a h ARG 302 CO 0.13 0.68 0.00 0.66 -1.51 0.00 0.00 179.97 179.93 3h3a n TYR 303 N -4.61 -0.23 -1.39 2.20 0.53 -0.91 -4.14 117.16 108.62 3h3a n TYR 303 Ca -0.06 0.00 0.08 0.00 -1.02 0.00 0.00 57.90 56.90 3h3a n TYR 303 Cb 0.33 0.00 0.18 0.00 -1.03 0.00 0.00 39.34 38.81 3h3a n TYR 303 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 3h3a n SER 304 N -0.20 1.96 -4.14 7.72 7.64 -1.25 -4.80 113.62 120.56 3h3a n SER 304 Ca 0.00 -3.53 -0.36 0.00 1.01 0.00 0.00 58.87 55.99 3h3a n SER 304 Cb 0.00 -0.48 0.09 0.00 -1.01 0.00 0.00 64.21 62.80 3h3a n SER 304 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3h3a n LEU 305 N -1.23 -2.99 -4.71 -3.43 4.77 -1.07 -4.81 117.00 103.54 3h3a n LEU 305 Ca 0.17 0.04 -0.41 0.00 -0.03 0.00 0.00 56.01 55.78 3h3a n LEU 305 Cb 0.67 -0.78 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 3h3a n LEU 305 CO -0.02 -3.50 0.61 -0.13 -1.33 0.00 0.00 177.39 173.02 3h3a s ARG 306 N -2.66 4.49 0.15 3.23 0.52 -1.26 -4.87 118.95 118.55 3h3a s ARG 306 Ca 0.46 1.24 -0.34 0.00 -0.52 0.00 0.00 55.73 56.56 3h3a s ARG 306 Cb -0.06 -3.48 -0.15 0.00 0.52 0.00 0.00 34.95 31.79 3h3a s ARG 306 CO 0.69 -0.07 1.42 -2.13 0.02 0.00 0.00 175.30 175.23 3h3a n ARG 307 N 4.11 1.69 0.00 3.54 0.63 -1.26 0.12 116.66 125.48 3h3a n ARG 307 Ca 0.04 0.61 0.00 0.00 -0.92 0.00 0.00 57.85 57.58 3h3a n ARG 307 Cb 0.51 -2.28 0.00 0.00 0.45 0.00 0.00 32.46 31.14 3h3a n ARG 307 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 3h3a n ASN 308 N 2.71 0.00 -0.18 6.15 2.85 -1.26 -4.88 115.26 120.65 3h3a n ASN 308 Ca 0.16 0.00 0.10 0.00 -0.11 0.00 0.00 54.58 54.73 3h3a n ASN 308 Cb 0.26 0.00 0.40 0.00 1.24 0.00 0.00 39.78 41.68 3h3a n ASN 308 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 3h3a h LEU 309 N 0.00 0.58 -0.86 1.20 5.85 0.52 0.96 115.31 123.56 3h3a h LEU 309 Ca 0.00 0.01 0.19 0.00 0.84 0.00 0.00 57.88 58.93 3h3a h LEU 309 Cb 0.00 -0.11 -0.11 0.00 0.37 0.00 0.00 40.66 40.81 3h3a h LEU 309 CO 0.00 0.34 0.38 -0.29 -0.34 0.00 0.00 178.44 178.53 3h3a h ILE 310 N 0.64 0.55 -0.60 4.05 -0.00 -1.90 0.13 117.51 120.37 3h3a h ILE 310 Ca 0.34 -0.15 0.09 0.00 -0.00 0.00 0.00 64.86 65.15 3h3a h ILE 310 Cb 0.48 0.07 -0.07 0.00 -0.00 0.00 0.00 36.82 37.30 3h3a h ILE 310 CO -0.12 0.08 0.22 0.78 -0.00 0.00 0.00 178.15 179.11 3h3a h ASN 311 N 0.44 0.21 -0.13 2.19 2.35 0.59 -2.35 115.58 118.88 3h3a h ASN 311 Ca 0.52 0.08 -0.15 0.00 -0.55 0.00 0.00 56.30 56.19 3h3a h ASN 311 Cb 0.91 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.33 3h3a h ASN 311 CO -0.48 0.13 -0.44 -0.33 -1.65 0.00 0.00 177.43 174.65 3h3a h GLU 312 N 0.40 0.68 -0.36 0.81 5.08 -0.69 -1.31 114.58 119.18 3h3a h GLU 312 Ca 0.30 -0.38 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 3h3a h GLU 312 Cb 0.38 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 3h3a h GLU 312 CO -0.31 0.99 0.08 0.82 -1.00 0.00 0.00 179.01 179.59 3h3a h ILE 313 N 0.55 1.23 0.06 3.13 2.04 -1.32 -2.89 117.51 120.31 3h3a h ILE 313 Ca 0.04 -0.78 0.02 0.00 1.00 0.00 0.00 64.86 65.15 3h3a h ILE 313 Cb 0.99 1.05 -0.05 0.00 -0.74 0.00 0.00 36.82 38.07 3h3a h ILE 313 CO 0.09 0.26 -0.43 0.03 0.00 0.00 0.00 178.15 178.11 3h3a h ARG 314 N 0.43 -0.60 -0.69 2.37 2.47 -1.19 0.48 114.38 117.66 3h3a h ARG 314 Ca 0.11 0.04 0.07 0.00 -1.26 0.00 0.00 59.98 58.95 3h3a h ARG 314 Cb 0.31 0.14 -0.09 0.00 -1.65 0.00 0.00 29.97 28.68 3h3a h ARG 314 CO 0.00 -0.40 -0.36 1.58 0.56 0.00 0.00 179.97 181.35 3h3a n HIS 315 N -5.46 -0.21 -0.02 3.04 -0.00 -0.52 0.67 115.22 112.73 3h3a n HIS 315 Ca -0.07 0.85 -0.12 0.00 0.46 0.00 0.00 57.72 58.84 3h3a n HIS 315 Cb 0.38 -0.61 -0.08 0.00 -0.12 0.00 0.00 29.99 29.55 3h3a n HIS 315 CO 0.00 0.00 0.00 -0.39 0.46 0.00 0.00 176.34 176.41 3h3a h VAL 316 N 0.00 1.28 -0.83 3.57 -1.51 -1.37 0.14 116.25 117.53 3h3a h VAL 316 Ca 0.15 -0.86 0.12 0.00 -1.23 0.00 0.00 66.70 64.87 3h3a h VAL 316 Cb 0.32 1.76 -0.13 0.00 -2.13 0.00 0.00 31.29 31.11 3h3a h VAL 316 CO -0.66 0.23 -0.44 -0.08 -1.23 0.00 0.00 177.57 175.40 3h3a h GLU 317 N -0.24 -0.09 0.37 5.19 4.81 0.15 0.11 114.58 124.88 3h3a h GLU 317 Ca 0.01 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 3h3a h GLU 317 Cb 0.38 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.78 3h3a h GLU 317 CO 0.00 -0.06 -0.18 -0.22 -0.73 0.00 0.00 179.01 177.83 3h3a h LYS 318 N -0.09 -0.48 0.00 1.92 1.63 0.24 -3.20 116.57 116.59 3h3a h LYS 318 Ca 0.24 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.08 3h3a h LYS 318 Cb 0.55 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.28 3h3a h LYS 318 CO -0.86 -0.16 0.00 0.43 -3.45 0.00 0.00 179.45 175.41 3h3a n SER 319 N -5.14 0.00 0.27 4.20 7.64 0.48 -4.05 113.62 117.02 3h3a n SER 319 Ca -0.09 0.19 -0.11 0.00 1.01 0.00 0.00 58.87 59.87 3h3a n SER 319 Cb 0.28 -0.22 -0.05 0.00 -1.01 0.00 0.00 64.21 63.20 3h3a n SER 319 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h3a h ALA 320 N 2.07 -0.80 0.00 -0.43 0.00 -0.79 -2.81 119.26 116.49 3h3a h ALA 320 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3h3a h ALA 320 Cb 0.01 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3h3a h ALA 320 CO 0.00 -0.75 0.02 -1.35 0.00 0.00 0.00 179.25 177.17 3h3a h PRO 321 N -1.09 0.00 0.00 0.00 0.11 -1.80 0.76 132.00 129.98 3h3a h PRO 321 Ca -0.08 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.95 3h3a h PRO 321 Cb 0.56 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 3h3a h PRO 321 CO 0.12 0.00 -0.58 0.00 -0.21 0.00 0.00 178.00 177.34 3h3a h ALA 322 N 1.95 0.73 0.03 -0.75 0.00 -1.77 -3.33 119.26 116.13 3h3a h ALA 322 Ca 0.00 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 3h3a h ALA 322 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3h3a h ALA 322 CO 0.00 0.46 -0.01 1.25 0.00 0.00 0.00 179.25 180.95 3h3a h LEU 323 N 0.00 -0.03 -0.71 0.00 7.12 -0.59 -1.08 115.31 120.02 3h3a h LEU 323 Ca -0.03 -0.65 -0.01 0.00 0.13 0.00 0.00 57.88 57.32 3h3a h LEU 323 Cb 1.29 0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 41.39 3h3a h LEU 323 CO 0.04 0.67 0.42 0.17 -0.13 0.00 0.00 178.44 179.61 3h3a h LEU 324 N -0.78 0.85 -0.67 2.25 -0.00 -1.73 0.58 115.31 115.82 3h3a h LEU 324 Ca -0.00 -0.07 0.09 0.00 -0.00 0.00 0.00 57.88 57.90 3h3a h LEU 324 Cb 0.69 -0.22 -0.07 0.00 -0.00 0.00 0.00 40.66 41.06 3h3a h LEU 324 CO 0.01 0.67 0.30 -0.33 -0.00 0.00 0.00 178.44 179.09 3h3a h GLU 325 N 0.96 0.51 -0.01 0.17 5.08 -1.66 1.07 114.58 120.70 3h3a h GLU 325 Ca 0.25 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.50 3h3a h GLU 325 Cb -0.02 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 3h3a h GLU 325 CO -0.05 0.34 -0.36 1.98 -1.00 0.00 0.00 179.01 179.92 3h3a h MET 326 N 0.52 0.02 0.03 2.33 4.05 0.42 -2.85 114.93 119.46 3h3a h MET 326 Ca 0.33 -0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.66 3h3a h MET 326 Cb 0.37 -0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.18 3h3a h MET 326 CO -0.28 0.38 -0.35 -0.07 0.23 0.00 0.00 176.91 176.81 3h3a h LEU 327 N 0.02 0.26-10.16 3.39 3.38 0.17 -2.82 115.31 109.54 3h3a h LEU 327 Ca -0.00 -0.86 -0.49 0.00 0.09 0.00 0.00 57.88 56.62 3h3a h LEU 327 Cb 0.65 -0.08 0.21 0.00 0.09 0.00 0.00 40.66 41.52 3h3a h LEU 327 CO 0.05 1.09 0.03 -0.24 0.09 0.00 0.00 178.44 179.46 3h3a n SER 328 N -4.42 -0.67 0.00 -0.43 2.88 0.35 -2.44 113.62 108.90 3h3a n SER 328 Ca -0.11 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 3h3a n SER 328 Cb 0.58 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.68 3h3a n SER 328 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3h3a n GLU 329 N -4.24 -0.90 -3.76 -1.46 1.02 -1.25 -4.02 120.64 106.02 3h3a n GLU 329 Ca 0.08 0.23 -0.06 0.00 -0.02 0.00 0.00 57.16 57.39 3h3a n GLU 329 Cb 0.53 -4.15 0.00 0.00 -0.02 0.00 0.00 31.44 27.80 3h3a n GLU 329 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3h3a n ARG 330 N -0.89 -0.96 -0.92 3.49 5.12 -1.02 -4.80 116.66 116.69 3h3a n ARG 330 Ca 0.00 -0.45 -0.32 0.00 -1.93 0.00 0.00 57.85 55.15 3h3a n ARG 330 Cb 0.23 0.53 0.14 0.00 -1.16 0.00 0.00 32.46 32.20 3h3a n ARG 330 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 3h3a s VAL 331 N -4.80 2.17 0.63 1.55 -7.23 -1.06 -5.00 120.40 106.65 3h3a s VAL 331 Ca 0.06 0.06 -0.15 0.00 -1.81 0.00 0.00 61.98 60.15 3h3a s VAL 331 Cb -0.03 -2.27 -0.02 0.00 0.56 0.00 0.00 36.38 34.62 3h3a s VAL 331 CO 0.12 -0.06 1.07 -2.84 -0.31 0.00 0.00 175.10 173.07 3h3a s PRO 332 N -4.46 3.14 0.50 4.82 0.02 -1.26 -4.92 135.00 132.84 3h3a s PRO 332 Ca 0.69 1.19 0.23 0.00 0.02 0.00 0.00 61.00 63.12 3h3a s PRO 332 Cb -0.25 -2.01 1.30 0.00 0.02 0.00 0.00 34.50 33.56 3h3a s PRO 332 CO 0.55 -0.95 1.97 0.00 -0.33 0.00 0.00 177.00 178.24 3h3a h ALA 333 N 0.13 2.40 -1.51 -1.55 0.00 -1.94 -1.03 119.26 115.76 3h3a h ALA 333 Ca -0.46 -0.01 0.44 0.00 0.00 0.00 0.00 54.91 54.88 3h3a h ALA 333 Cb 1.22 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 3h3a h ALA 333 CO 0.57 -0.57 1.07 1.03 0.00 0.00 0.00 179.25 181.35 3h3a h SER 334 N 0.12 0.05 1.13 0.00 0.87 -1.91 0.21 113.55 114.02 3h3a h SER 334 Ca 0.29 0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.76 3h3a h SER 334 Cb 0.98 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.94 3h3a h SER 334 CO -0.04 -0.02 -0.92 -0.26 -0.53 0.00 0.00 176.83 175.07 3h3a h PHE 335 N 0.03 0.00 0.15 2.24 -1.00 -1.55 -3.37 116.94 113.44 3h3a h PHE 335 Ca 0.75 0.00 -0.23 0.00 2.81 0.00 0.00 57.97 61.29 3h3a h PHE 335 Cb 2.86 0.00 0.02 0.00 3.61 0.00 0.00 35.95 42.44 3h3a h PHE 335 CO -0.00 0.44 -1.07 0.28 -1.61 0.00 0.00 178.31 176.35 3h3a h VAL 336 N 0.00 1.36 -0.60 -0.55 2.07 -0.74 -3.38 116.25 114.41 3h3a h VAL 336 Ca -0.07 -2.53 0.10 0.00 0.82 0.00 0.00 66.70 65.01 3h3a h VAL 336 Cb 1.40 3.06 -0.10 0.00 -1.52 0.00 0.00 31.29 34.13 3h3a h VAL 336 CO 0.04 0.73 -0.22 0.00 0.02 0.00 0.00 177.57 178.14 3h3a n TYR 337 N -4.01 0.05 0.02 1.57 9.36 -1.09 -0.80 117.16 122.26 3h3a n TYR 337 Ca -0.17 0.74 0.22 0.00 3.32 0.00 0.00 57.90 62.01 3h3a n TYR 337 Cb 0.89 -0.74 0.63 0.00 -0.63 0.00 0.00 39.34 39.49 3h3a n TYR 337 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 3h3a h PRO 338 N 0.00 0.00 -0.01 2.98 0.11 -1.82 -0.66 132.00 132.60 3h3a h PRO 338 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 3h3a h PRO 338 Cb 0.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.48 3h3a h PRO 338 CO -0.60 0.00 -0.47 1.28 -0.21 0.00 0.00 178.00 178.00 3h3a n LEU 339 N -3.45 1.61 -0.35 2.35 4.32 0.02 -4.38 117.00 117.12 3h3a n LEU 339 Ca 0.12 -0.72 0.03 0.00 -0.02 0.00 0.00 56.01 55.42 3h3a n LEU 339 Cb 0.91 0.00 0.05 0.00 -1.62 0.00 0.00 43.42 42.76 3h3a n LEU 339 CO 0.24 0.31 0.36 1.33 -1.22 0.00 0.00 177.39 178.42 3h3a n VAL 340 N -0.32 0.66 0.14 4.08 0.24 -0.30 -4.97 118.33 117.85 3h3a n VAL 340 Ca 0.07 -0.79 -0.14 0.00 -2.04 0.00 0.00 64.34 61.44 3h3a n VAL 340 Cb 0.37 0.24 -0.08 0.00 -1.47 0.00 0.00 33.84 32.90 3h3a n VAL 340 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3h3a h LYS 341 N 0.00 -0.32 -0.08 7.34 3.64 -1.63 -3.32 116.57 122.21 3h3a h LYS 341 Ca 0.00 0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.30 3h3a h LYS 341 Cb 1.26 0.07 -0.14 0.00 -0.41 0.00 0.00 32.23 33.01 3h3a h LYS 341 CO 0.00 -0.08 -0.68 0.41 -2.27 0.00 0.00 179.45 176.83 3h3a n GLY 342 N -0.73 4.14 3.76 5.01 0.00 -1.26 -5.09 105.19 111.01 3h3a n GLY 342 Ca -0.09 -1.31 -0.32 0.00 0.00 0.00 0.00 46.02 44.30 3h3a n GLY 342 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3h3a s VAL 343 N -2.59 3.15 0.77 1.61 -7.23 -1.25 -5.03 120.40 109.84 3h3a s VAL 343 Ca 0.38 0.42 -0.12 0.00 -1.81 0.00 0.00 61.98 60.86 3h3a s VAL 343 Cb 0.38 -2.88 0.06 0.00 0.56 0.00 0.00 36.38 34.49 3h3a s VAL 343 CO -0.08 -0.44 1.12 -0.94 -0.31 0.00 0.00 175.10 174.45 3h3a s SER 344 N -3.05 4.78 0.28 4.85 1.04 -1.26 -4.89 113.70 115.45 3h3a s SER 344 Ca 0.64 1.09 -0.01 0.00 0.48 0.00 0.00 55.95 58.15 3h3a s SER 344 Cb -0.19 -1.78 0.40 0.00 0.10 0.00 0.00 66.02 64.55 3h3a s SER 344 CO 0.52 -1.76 1.80 0.78 0.98 0.00 0.00 173.24 175.56 3h3a h ASN 345 N -0.95 0.72 -0.47 7.02 4.21 -1.95 -1.74 115.58 122.42 3h3a h ASN 345 Ca -0.46 -0.15 0.06 0.00 1.21 0.00 0.00 56.30 56.96 3h3a h ASN 345 Cb 1.28 -0.19 -0.06 0.00 -1.12 0.00 0.00 38.32 38.24 3h3a h ASN 345 CO 0.63 0.76 0.16 -0.33 -1.29 0.00 0.00 177.43 177.35 3h3a h GLU 346 N 0.72 0.31 -0.60 0.81 3.07 -1.92 0.18 114.58 117.15 3h3a h GLU 346 Ca 0.15 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.96 3h3a h GLU 346 Cb 0.37 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.18 3h3a h GLU 346 CO 0.01 0.21 0.23 1.79 -1.40 0.00 0.00 179.01 179.85 3h3a h THR 347 N 0.32 1.23 -0.30 1.13 1.35 -1.81 0.13 112.91 114.96 3h3a h THR 347 Ca 0.23 -0.73 0.05 0.00 -0.55 0.00 0.00 66.41 65.41 3h3a h THR 347 Cb 0.24 0.58 -0.04 0.00 -1.73 0.00 0.00 68.15 67.20 3h3a h THR 347 CO -0.24 0.28 0.03 0.40 -0.25 0.00 0.00 175.52 175.74 3h3a h ILE 348 N 0.84 0.82 -0.55 6.82 2.04 -0.75 -2.32 117.51 124.40 3h3a h ILE 348 Ca 0.20 -0.04 0.08 0.00 1.00 0.00 0.00 64.86 66.09 3h3a h ILE 348 Cb 0.21 0.68 -0.06 0.00 -0.74 0.00 0.00 36.82 36.91 3h3a h ILE 348 CO -0.02 0.02 0.22 0.00 0.00 0.00 0.00 178.15 178.38 3h3a h HIS 350 N 0.41 -0.60 -0.70 0.00 6.17 -0.29 -0.30 115.15 119.85 3h3a h HIS 350 Ca 0.27 0.03 0.11 0.00 0.71 0.00 0.00 60.37 61.49 3h3a h HIS 350 Cb 0.29 0.29 -0.08 0.00 2.52 0.00 0.00 27.41 30.43 3h3a h HIS 350 CO -0.15 -0.31 0.30 0.74 0.71 0.00 0.00 177.93 179.22 3h3a h PHE 351 N -0.27 0.53 0.00 5.26 0.05 -1.13 -0.08 116.94 121.30 3h3a h PHE 351 Ca 0.11 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.93 3h3a h PHE 351 Cb 0.44 -0.13 0.00 0.00 2.00 0.00 0.00 35.95 38.26 3h3a h PHE 351 CO -0.35 0.14 0.00 -0.07 -0.18 0.00 0.00 178.31 177.85 3h3a h LEU 352 N 0.50 0.00 -0.39 1.54 3.38 -0.47 -1.56 115.31 118.30 3h3a h LEU 352 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 3h3a h LEU 352 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3h3a h LEU 352 CO -0.33 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.20 3h3a n ALA 353 N -1.80 1.45 0.79 1.53 0.00 -0.04 -2.10 120.51 120.33 3h3a n ALA 353 Ca -0.00 0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.56 3h3a n ALA 353 Cb 0.12 -1.24 -0.11 0.00 0.00 0.00 0.00 19.45 18.22 3h3a n ALA 353 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3h3a n TYR 354 N -1.81 0.00 -3.68 0.00 4.02 -0.59 -4.34 117.16 110.76 3h3a n TYR 354 Ca 0.02 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.53 3h3a n TYR 354 Cb 0.13 -0.04 -0.12 0.00 -0.02 0.00 0.00 39.34 39.29 3h3a n TYR 354 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3h3a s LEU 355 N -3.01 3.79 -0.18 7.72 1.02 -0.89 -5.05 118.68 122.08 3h3a s LEU 355 Ca 0.06 -0.23 -0.03 0.00 0.02 0.00 0.00 54.13 53.94 3h3a s LEU 355 Cb 0.14 -2.00 -0.02 0.00 0.02 0.00 0.00 46.19 44.33 3h3a s LEU 355 CO 0.76 -0.08 -0.05 -0.55 0.02 0.00 0.00 176.35 176.44 3h3a s SER 356 N 1.66 4.46 1.33 2.29 0.15 -1.26 -4.70 113.70 117.64 3h3a s SER 356 Ca 0.06 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.44 3h3a s SER 356 Cb -0.16 -1.74 0.00 0.00 -1.71 0.00 0.00 66.02 62.42 3h3a s SER 356 CO 0.06 0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.21 3h3a n GLY 357 N 4.03 1.46 0.16 9.45 0.00 -1.26 -3.60 105.19 115.43 3h3a n GLY 357 Ca -0.18 0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 3h3a n GLY 357 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3h3a h GLU 358 N 0.00 0.33 -0.41 1.61 4.22 -2.01 -2.99 114.58 115.32 3h3a h GLU 358 Ca 0.00 -0.31 -0.02 0.00 0.08 0.00 0.00 59.36 59.11 3h3a h GLU 358 Cb 0.00 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3h3a h GLU 358 CO 0.00 0.98 0.17 0.87 -2.18 0.00 0.00 179.01 178.85 3h3a h LYS 359 N 0.20 0.62 -0.31 1.92 1.57 -1.95 -3.04 116.57 115.57 3h3a h LYS 359 Ca -0.04 -0.11 0.04 0.00 -1.87 0.00 0.00 60.65 58.67 3h3a h LYS 359 Cb 1.41 -0.10 -0.07 0.00 0.08 0.00 0.00 32.23 33.55 3h3a h LYS 359 CO 0.13 0.57 -0.48 1.49 -0.57 0.00 0.00 179.45 180.59 3h3a h GLU 360 N 0.52 -0.36 -0.69 3.15 4.81 -1.72 0.18 114.58 120.48 3h3a h GLU 360 Ca 0.14 0.02 0.20 0.00 -0.13 0.00 0.00 59.36 59.59 3h3a h GLU 360 Cb 0.18 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 3h3a h GLU 360 CO -0.01 -0.24 0.53 0.78 -0.73 0.00 0.00 179.01 179.34 3h3a h GLY 361 N -0.37 0.00 0.00 1.92 0.00 -1.49 -0.65 103.07 102.48 3h3a h GLY 361 Ca 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 3h3a h GLY 361 CO -0.49 0.00 -0.03 -2.00 0.00 0.00 0.00 176.54 174.01 3h3a h LEU 362 N 0.00 0.00 -1.25 3.11 7.12 -0.91 0.10 115.31 123.49 3h3a h LEU 362 Ca 0.33 -0.24 0.22 0.00 0.13 0.00 0.00 57.88 58.32 3h3a h LEU 362 Cb 1.39 0.00 -0.09 0.00 -0.53 0.00 0.00 40.66 41.42 3h3a h LEU 362 CO -0.00 0.64 0.63 0.15 -0.13 0.00 0.00 178.44 179.72 3h3a h PHE 363 N -1.00 0.80 -0.21 1.25 3.04 -0.31 0.68 116.94 121.19 3h3a h PHE 363 Ca -0.00 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 61.88 3h3a h PHE 363 Cb 0.27 -0.24 -0.00 0.00 2.56 0.00 0.00 35.95 38.54 3h3a h PHE 363 CO 0.06 0.15 -0.24 0.87 -2.02 0.00 0.00 178.31 177.13 3h3a h LYS 364 N 0.55 0.54 -0.55 1.11 1.57 -1.23 -0.78 116.57 117.77 3h3a h LYS 364 Ca 0.56 -0.29 0.13 0.00 -1.87 0.00 0.00 60.65 59.18 3h3a h LYS 364 Cb 1.18 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.48 3h3a h LYS 364 CO -0.31 0.88 0.38 1.03 -0.57 0.00 0.00 179.45 180.87 3h3a h SER 365 N 0.22 0.14 0.93 0.86 0.87 0.23 0.26 113.55 117.06 3h3a h SER 365 Ca 0.03 0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.46 3h3a h SER 365 Cb 0.80 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.71 3h3a h SER 365 CO 0.06 0.08 -1.14 1.88 -0.53 0.00 0.00 176.83 177.17 3h3a h TYR 366 N 0.15 0.00 -0.23 2.24 0.99 -0.50 -3.28 116.97 116.34 3h3a h TYR 366 Ca 0.26 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.90 3h3a h TYR 366 Cb 0.83 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.55 3h3a h TYR 366 CO -0.00 0.50 -0.25 1.25 -0.00 0.00 0.00 178.16 179.66 3h3a h LEU 367 N 0.00 0.44 0.00 3.88 7.12 0.10 0.91 115.31 127.76 3h3a h LEU 367 Ca -0.11 -0.14 -0.19 0.00 0.13 0.00 0.00 57.88 57.57 3h3a h LEU 367 Cb 1.48 -0.12 -0.03 0.00 -0.53 0.00 0.00 40.66 41.46 3h3a h LEU 367 CO 0.05 0.69 -0.92 -0.07 -0.13 0.00 0.00 178.44 178.06 3h3a h LEU 368 N 0.39 0.00 -0.20 2.25 -0.00 -1.41 -0.33 115.31 116.01 3h3a h LEU 368 Ca 0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.92 3h3a h LEU 368 Cb 0.65 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.30 3h3a h LEU 368 CO 0.05 0.89 0.06 0.11 -0.00 0.00 0.00 178.44 179.55 3h3a h LYS 369 N 0.00 0.32 -0.02 1.13 1.79 -1.52 -1.42 116.57 116.84 3h3a h LYS 369 Ca -0.02 -0.07 -0.12 0.00 -2.18 0.00 0.00 60.65 58.26 3h3a h LYS 369 Cb 1.69 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 32.28 3h3a h LYS 369 CO 0.11 0.43 -0.55 0.82 -1.08 0.00 0.00 179.45 179.18 3h3a h ILE 370 N 0.15 1.39 -0.06 1.86 2.04 -0.80 -2.88 117.51 119.22 3h3a h ILE 370 Ca 0.06 -1.88 -0.01 0.00 1.00 0.00 0.00 64.86 64.04 3h3a h ILE 370 Cb 0.25 1.98 -0.00 0.00 -0.74 0.00 0.00 36.82 38.31 3h3a h ILE 370 CO -0.00 0.54 0.01 0.50 0.00 0.00 0.00 178.15 179.20 3h3a h LYS 371 N 0.06 0.09 0.00 2.37 3.64 -1.04 -3.41 116.57 118.28 3h3a h LYS 371 Ca -0.00 -0.03 -0.26 0.00 -1.27 0.00 0.00 60.65 59.09 3h3a h LYS 371 Cb 0.99 -0.01 0.05 0.00 -0.41 0.00 0.00 32.23 32.85 3h3a h LYS 371 CO 0.08 0.34 0.07 0.09 -2.27 0.00 0.00 179.45 177.75 3h3a n ASN 372 N -4.89 0.76 0.00 4.20 4.13 -0.54 -4.37 115.26 114.54 3h3a n ASN 372 Ca -0.07 -1.64 0.00 0.00 1.68 0.00 0.00 54.58 54.55 3h3a n ASN 372 Cb 0.17 -0.37 0.00 0.00 -1.54 0.00 0.00 39.78 38.04 3h3a n ASN 372 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 3h3a n THR 373 N -2.22 0.00 -0.14 3.41 -2.24 -1.26 -4.45 114.28 107.38 3h3a n THR 373 Ca 0.09 0.00 0.28 0.00 -2.27 0.00 0.00 64.05 62.15 3h3a n THR 373 Cb 0.33 0.00 0.62 0.00 -2.10 0.00 0.00 70.33 69.18 3h3a n THR 373 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3h3a h LYS 374 N 0.00 0.00 -6.07 -0.78 1.57 -1.76 -3.40 116.57 106.13 3h3a h LYS 374 Ca 0.00 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 58.09 3h3a h LYS 374 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3h3a h LYS 374 CO 0.00 0.00 1.23 1.47 -0.57 0.00 0.00 179.45 181.58 3h3a n LEU 375 N -3.57 2.34 0.22 2.94 -0.00 -1.26 -4.77 117.00 112.90 3h3a n LEU 375 Ca 0.19 0.68 0.13 0.00 -0.00 0.00 0.00 56.01 57.00 3h3a n LEU 375 Cb 1.18 -1.23 0.23 0.00 -0.00 0.00 0.00 43.42 43.60 3h3a n LEU 375 CO 0.28 -0.55 0.83 -0.33 -0.00 0.00 0.00 177.39 177.62 3h3a h GLU 376 N 10.43 0.00 0.00 1.47 4.39 -1.91 -3.49 114.58 125.47 3h3a h GLU 376 Ca -0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.35 3h3a h GLU 376 Cb 1.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 3h3a h GLU 376 CO 1.00 0.00 0.00 1.17 -1.16 0.00 0.00 179.01 180.02 3h3a n LYS 377 N -3.06 0.00 -1.18 2.33 4.81 -1.26 -4.59 118.16 115.21 3h3a n LYS 377 Ca 0.04 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.17 3h3a n LYS 377 Cb 0.50 0.00 0.11 0.00 0.02 0.00 0.00 35.03 35.66 3h3a n LYS 377 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 3h3a s ILE 378 N 0.00 3.06 0.00 3.15 -4.36 -1.26 -4.87 121.20 116.92 3h3a s ILE 378 Ca 0.00 0.34 0.00 0.00 -0.26 0.00 0.00 60.65 60.73 3h3a s ILE 378 Cb 0.00 -2.77 0.00 0.00 1.25 0.00 0.00 42.46 40.94 3h3a s ILE 378 CO 0.00 -0.45 0.00 -3.20 0.24 0.00 0.00 174.94 171.53 3h3a n ASN 379 N -3.68 -0.82 -1.64 4.36 5.15 -1.26 -4.96 115.26 112.41 3h3a n ASN 379 Ca 0.09 0.00 0.01 0.00 -0.60 0.00 0.00 54.58 54.08 3h3a n ASN 379 Cb 0.53 -0.41 0.00 0.00 -0.53 0.00 0.00 39.78 39.37 3h3a n ASN 379 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3h3a n GLY 380 N 0.86 0.53 2.35 8.20 0.00 -1.26 -4.91 105.19 110.97 3h3a n GLY 380 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.14 3h3a n GLY 380 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3h3a n GLU 381 N -0.21 0.00 0.00 1.61 -0.00 -1.26 -0.25 120.64 120.53 3h3a n GLU 381 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.17 3h3a n GLU 381 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.57 3h3a n GLU 381 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3h3a n TYR 382 N 0.00 0.00 -0.32 -1.84 0.53 -1.26 -3.86 117.16 110.41 3h3a n TYR 382 Ca 0.00 0.00 0.27 0.00 -1.02 0.00 0.00 57.90 57.15 3h3a n TYR 382 Cb 0.00 -0.13 0.50 0.00 -1.03 0.00 0.00 39.34 38.68 3h3a n TYR 382 CO 0.00 0.00 0.00 -0.11 -1.02 0.00 0.00 176.86 175.73 3h3a n LEU 383 N -0.90 0.22 -0.18 7.72 7.94 0.65 0.12 117.00 132.56 3h3a n LEU 383 Ca 0.00 1.65 -0.09 0.00 -1.11 0.00 0.00 56.01 56.45 3h3a n LEU 383 Cb 0.00 -0.75 0.01 0.00 0.53 0.00 0.00 43.42 43.21 3h3a n LEU 383 CO 0.00 -1.80 0.83 0.40 -1.11 0.00 0.00 177.39 175.72 3h3a h ILE 384 N 0.00 1.26 0.02 1.96 2.04 -1.78 -1.86 117.51 119.15 3h3a h ILE 384 Ca 0.77 -1.01 -0.21 0.00 1.00 0.00 0.00 64.86 65.41 3h3a h ILE 384 Cb 1.94 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 38.92 3h3a h ILE 384 CO -0.81 0.36 -0.97 0.03 0.00 0.00 0.00 178.15 176.77 3h3a h ARG 385 N 0.74 0.11 -0.21 2.37 3.08 0.76 -1.52 114.38 119.71 3h3a h ARG 385 Ca 0.15 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3h3a h ARG 385 Cb 0.46 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 3h3a h ARG 385 CO 0.02 0.99 -0.07 0.87 -1.07 0.00 0.00 179.97 180.71 3h3a h LYS 386 N 0.05 0.32 0.00 0.04 1.57 -1.06 1.42 116.57 118.91 3h3a h LYS 386 Ca -0.04 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3h3a h LYS 386 Cb 1.66 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.92 3h3a h LYS 386 CO 0.14 0.41 0.00 0.78 -0.57 0.00 0.00 179.45 180.21 3h3a h GLY 387 N 0.72 0.00 0.00 3.86 0.00 -0.77 -3.45 103.07 103.43 3h3a h GLY 387 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3h3a h GLY 387 CO 0.01 0.00 0.00 4.51 0.00 0.00 0.00 176.54 181.06 3h3a n ILE 388 N -2.95 0.00 -3.04 2.60 0.13 0.49 -5.06 119.36 111.52 3h3a n ILE 388 Ca -0.02 0.00 -0.33 0.00 -1.10 0.00 0.00 62.75 61.31 3h3a n ILE 388 Cb 0.14 0.00 -0.06 0.00 -0.84 0.00 0.00 39.64 38.88 3h3a n ILE 388 CO 0.00 0.00 0.00 0.42 2.80 0.00 0.00 176.55 179.77 3h3a s THR 389 N -2.14 4.59 0.16 9.51 -4.23 -0.75 -4.94 115.64 117.84 3h3a s THR 389 Ca 0.00 1.11 -0.01 0.00 -1.18 0.00 0.00 61.69 61.61 3h3a s THR 389 Cb 0.00 -3.61 -0.04 0.00 1.34 0.00 0.00 72.50 70.19 3h3a s THR 389 CO 0.00 -0.23 0.08 -0.44 -0.54 0.00 0.00 174.62 173.49 3h3a s SER 390 N -2.25 0.39 0.05 3.99 0.01 -1.26 -3.95 113.70 110.69 3h3a s SER 390 Ca 0.56 -1.28 0.00 0.00 1.31 0.00 0.00 55.95 56.55 3h3a s SER 390 Cb -0.10 0.30 0.00 0.00 0.21 0.00 0.00 66.02 66.43 3h3a s SER 390 CO 0.16 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.67 3h3a n GLY 391 N -0.19 -2.15 0.12 3.44 0.00 -1.26 -4.22 105.19 100.93 3h3a n GLY 391 Ca -0.03 -1.46 0.06 0.00 0.00 0.00 0.00 46.02 44.59 3h3a n GLY 391 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h3a n LYS 392 N -0.88 0.08 0.19 1.61 4.01 -1.26 -1.82 118.16 120.09 3h3a n LYS 392 Ca 0.00 0.53 -0.15 0.00 -0.51 0.00 0.00 58.31 58.18 3h3a n LYS 392 Cb 0.04 -1.96 -0.08 0.00 -0.51 0.00 0.00 35.03 32.52 3h3a n LYS 392 CO 0.00 0.00 0.00 0.82 -1.11 0.00 0.00 177.40 177.11 3h3a h ILE 393 N 0.00 0.68 -0.62 -0.18 2.04 -2.01 -3.02 117.51 114.39 3h3a h ILE 393 Ca 0.00 -0.23 0.16 0.00 1.00 0.00 0.00 64.86 65.79 3h3a h ILE 393 Cb 0.41 0.81 -0.12 0.00 -0.74 0.00 0.00 36.82 37.18 3h3a h ILE 393 CO 0.00 0.05 -0.03 -0.38 0.00 0.00 0.00 178.15 177.79 3h3a n ILE 394 N -5.23 -0.26 -0.16 -0.67 5.41 -0.75 0.97 119.36 118.66 3h3a n ILE 394 Ca -0.10 1.39 -0.07 0.00 1.00 0.00 0.00 62.75 64.96 3h3a n ILE 394 Cb 0.23 -2.00 0.02 0.00 -0.71 0.00 0.00 39.64 37.18 3h3a n ILE 394 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3h3a h GLY 395 N 0.00 0.69 1.15 7.39 0.00 -1.72 -1.94 103.07 108.64 3h3a h GLY 395 Ca 0.36 -0.27 -0.15 0.00 0.00 0.00 0.00 47.33 47.28 3h3a h GLY 395 CO -0.60 0.26 -0.31 0.83 0.00 0.00 0.00 176.54 176.72 3h3a h GLU 396 N 0.65 0.95 -0.38 4.80 5.08 0.57 -0.03 114.58 126.22 3h3a h GLU 396 Ca 0.18 -0.45 -0.11 0.00 -1.00 0.00 0.00 59.36 57.97 3h3a h GLU 396 Cb -0.05 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3h3a h GLU 396 CO -0.04 1.12 -0.19 -0.24 -1.00 0.00 0.00 179.01 178.66 3h3a h VAL 397 N 0.80 1.28 0.39 3.13 3.04 -1.40 -0.69 116.25 122.80 3h3a h VAL 397 Ca 0.08 -1.32 -0.01 0.00 -1.01 0.00 0.00 66.70 64.44 3h3a h VAL 397 Cb 0.89 1.32 -0.01 0.00 -2.01 0.00 0.00 31.29 31.48 3h3a h VAL 397 CO 0.08 0.44 -0.29 -0.07 -1.01 0.00 0.00 177.57 176.72 3h3a h LEU 398 N 0.60 -0.76 -0.93 3.16 3.38 -1.20 -1.40 115.31 118.16 3h3a h LEU 398 Ca 0.08 0.06 0.13 0.00 0.09 0.00 0.00 57.88 58.24 3h3a h LEU 398 Cb 0.74 0.24 -0.09 0.00 0.09 0.00 0.00 40.66 41.64 3h3a h LEU 398 CO 0.06 -0.44 0.55 -0.08 0.09 0.00 0.00 178.44 178.62 3h3a h GLU 399 N -0.68 0.81 0.00 1.13 4.81 -0.95 -1.71 114.58 117.99 3h3a h GLU 399 Ca -0.04 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3h3a h GLU 399 Cb 0.58 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.78 3h3a h GLU 399 CO 0.00 0.53 -0.00 -0.22 -0.73 0.00 0.00 179.01 178.59 3h3a h LYS 400 N 0.83 0.00 0.12 1.92 3.64 -0.83 0.21 116.57 122.46 3h3a h LYS 400 Ca 0.48 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.86 3h3a h LYS 400 Cb 0.57 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3h3a h LYS 400 CO -0.30 0.00 -0.06 0.82 -2.27 0.00 0.00 179.45 177.64 3h3a h ILE 401 N 0.00 0.98 -0.84 2.00 2.04 -0.72 -3.33 117.51 117.64 3h3a h ILE 401 Ca 0.00 -1.26 0.04 0.00 1.00 0.00 0.00 64.86 64.64 3h3a h ILE 401 Cb 0.85 1.67 -0.05 0.00 -0.74 0.00 0.00 36.82 38.55 3h3a h ILE 401 CO 0.00 0.26 0.55 0.25 0.00 0.00 0.00 178.15 179.21 3h3a h LEU 402 N -0.84 0.89 -1.97 1.44 6.46 -1.16 -0.33 115.31 119.80 3h3a h LEU 402 Ca -0.02 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.73 3h3a h LEU 402 Cb 0.55 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.28 3h3a h LEU 402 CO 0.03 0.61 0.10 -0.03 -0.62 0.00 0.00 178.44 178.53 3h3a h MET 403 N 1.04 0.00 0.00 1.25 4.05 -0.71 0.77 114.93 121.33 3h3a h MET 403 Ca 0.33 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.75 3h3a h MET 403 Cb 0.03 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.83 3h3a h MET 403 CO -0.10 0.00 -1.09 0.36 0.23 0.00 0.00 176.91 176.31 3h3a n LYS 404 N -2.61 1.56 0.11 0.39 2.85 -0.28 -4.30 118.16 115.88 3h3a n LYS 404 Ca -0.02 -0.06 0.12 0.00 -1.05 0.00 0.00 58.31 57.31 3h3a n LYS 404 Cb 0.15 -1.13 0.46 0.00 -0.65 0.00 0.00 35.03 33.86 3h3a n LYS 404 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 3h3a n LYS 405 N -1.62 0.21 -0.00 -1.58 4.81 0.21 -2.20 118.16 117.99 3h3a n LYS 405 Ca -0.01 0.32 0.15 0.00 -0.87 0.00 0.00 58.31 57.91 3h3a n LYS 405 Cb 0.21 -1.83 0.72 0.00 0.02 0.00 0.00 35.03 34.15 3h3a n LYS 405 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 3h3a n LEU 406 N -2.21 0.77 0.00 3.14 -0.00 -0.84 -3.77 117.00 114.10 3h3a n LEU 406 Ca 0.04 -0.26 0.00 0.00 -0.00 0.00 0.00 56.01 55.78 3h3a n LEU 406 Cb 0.31 -0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.73 3h3a n LEU 406 CO 0.24 0.13 0.14 0.47 -0.00 0.00 0.00 177.39 178.38 3h3a n ASP 407 N -0.39 0.58 0.00 1.45 10.43 -0.93 -4.88 116.55 122.81 3h3a n ASP 407 Ca 0.21 -0.94 0.00 0.00 2.57 0.00 0.00 54.79 56.63 3h3a n ASP 407 Cb 0.23 0.05 0.00 0.00 1.84 0.00 0.00 41.12 43.25 3h3a n ASP 407 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3h3a n GLY 408 N 0.05 3.14 3.48 0.44 0.00 -1.12 -5.14 105.19 106.05 3h3a n GLY 408 Ca 0.00 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 3h3a n GLY 408 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h3a s ASP 409 N 0.00 4.25 0.00 1.61 1.01 -1.26 -4.40 116.67 117.88 3h3a s ASP 409 Ca 0.00 -0.17 0.00 0.00 0.71 0.00 0.00 52.55 53.09 3h3a s ASP 409 Cb 0.00 -1.19 0.00 0.00 1.01 0.00 0.00 42.92 42.74 3h3a s ASP 409 CO 0.00 0.29 0.00 0.41 0.21 0.00 0.00 175.17 176.08 3h3a n THR 410 N 2.67 0.00 0.61 -1.27 -1.04 -1.26 -4.99 114.28 109.00 3h3a n THR 410 Ca -0.18 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 61.88 3h3a n THR 410 Cb 0.53 0.00 0.16 0.00 -1.82 0.00 0.00 70.33 69.20 3h3a n THR 410 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3h3a n ARG 411 N 0.00 2.18 0.00 -2.82 1.74 -1.26 -4.94 116.66 111.56 3h3a n ARG 411 Ca 0.00 -1.31 0.00 0.00 -0.77 0.00 0.00 57.85 55.77 3h3a n ARG 411 Cb 0.00 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 29.95 3h3a n ARG 411 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3h3a n ASP 412 N 0.42 0.00 -0.08 0.55 2.03 -1.26 -4.44 116.55 113.77 3h3a n ASP 412 Ca 0.12 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.31 3h3a n ASP 412 Cb 0.44 -1.08 -0.07 0.00 -0.72 0.00 0.00 41.12 39.69 3h3a n ASP 412 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3h3a h GLU 413 N 0.00 0.00 -0.06 -0.67 4.57 -1.92 -3.39 114.58 113.10 3h3a h GLU 413 Ca 0.00 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.20 3h3a h GLU 413 Cb 0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3h3a h GLU 413 CO 0.00 0.58 0.11 1.49 -1.18 0.00 0.00 179.01 180.01 3h3a h GLU 414 N -1.00 0.00 -0.08 1.92 4.81 -1.97 0.76 114.58 119.02 3h3a h GLU 414 Ca -0.13 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.11 3h3a h GLU 414 Cb 0.83 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 3h3a h GLU 414 CO -0.08 0.00 0.03 0.93 -0.73 0.00 0.00 179.01 179.16 3h3a h GLU 415 N 0.00 0.06 0.32 1.92 4.39 -1.90 -2.32 114.58 117.05 3h3a h GLU 415 Ca 0.03 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 3h3a h GLU 415 Cb 0.25 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 3h3a h GLU 415 CO -0.00 0.04 -0.15 0.82 -1.16 0.00 0.00 179.01 178.56 3h3a h ILE 416 N 0.06 0.68 0.00 3.13 2.04 0.30 0.63 117.51 124.36 3h3a h ILE 416 Ca 0.03 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.34 3h3a h ILE 416 Cb 0.01 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 3h3a h ILE 416 CO -0.03 0.11 0.24 0.18 0.00 0.00 0.00 178.15 178.64 3h3a n LEU 417 N -5.15 0.21 -0.06 1.44 4.77 -0.83 0.45 117.00 117.83 3h3a n LEU 417 Ca -0.10 0.46 -0.04 0.00 -0.03 0.00 0.00 56.01 56.31 3h3a n LEU 417 Cb 0.26 -0.44 -0.13 0.00 -2.33 0.00 0.00 43.42 40.79 3h3a n LEU 417 CO 0.31 -0.53 -0.95 1.21 -1.33 0.00 0.00 177.39 176.10 3h3a n GLU 418 N -1.75 1.14 -0.07 3.23 2.13 -0.88 -4.29 120.64 120.15 3h3a n GLU 418 Ca -0.01 -0.05 -0.14 0.00 0.66 0.00 0.00 57.16 57.63 3h3a n GLU 418 Cb 0.25 -1.42 -0.12 0.00 0.27 0.00 0.00 31.44 30.42 3h3a n GLU 418 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 3h3a h GLU 419 N 0.00 0.00 -0.85 5.31 4.22 1.19 -2.61 114.58 121.84 3h3a h GLU 419 Ca -0.33 0.00 0.06 0.00 0.08 0.00 0.00 59.36 59.17 3h3a h GLU 419 Cb 1.70 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.90 3h3a h GLU 419 CO 0.02 0.97 0.56 -0.39 -2.18 0.00 0.00 179.01 177.98 3h3a h VAL 420 N -1.00 1.07 -0.47 0.32 -1.51 0.08 -2.05 116.25 112.69 3h3a h VAL 420 Ca -0.03 -0.33 -0.01 0.00 -1.23 0.00 0.00 66.70 65.10 3h3a h VAL 420 Cb 0.99 0.02 -0.02 0.00 -2.13 0.00 0.00 31.29 30.15 3h3a h VAL 420 CO -0.02 0.18 0.24 0.25 -1.23 0.00 0.00 177.57 176.99 3h3a h LEU 421 N 0.96 0.61 -1.92 4.19 5.85 -1.70 0.96 115.31 124.25 3h3a h LEU 421 Ca 0.36 -0.11 0.13 0.00 0.84 0.00 0.00 57.88 59.10 3h3a h LEU 421 Cb 0.19 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 3h3a h LEU 421 CO -0.13 0.55 0.36 0.00 -0.34 0.00 0.00 178.44 178.87 3h3a h ALA 422 N 1.09 2.37 0.04 1.25 0.00 -0.98 -0.72 119.26 122.30 3h3a h ALA 422 Ca 0.16 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.79 3h3a h ALA 422 Cb 0.09 0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.91 3h3a h ALA 422 CO -0.02 -0.51 -1.08 0.77 0.00 0.00 0.00 179.25 178.41 3h3a h SER 423 N 0.08 0.88 -4.29 0.00 0.02 -0.82 -3.40 113.55 106.02 3h3a h SER 423 Ca 0.24 -0.77 -0.51 0.00 -0.84 0.00 0.00 61.79 59.91 3h3a h SER 423 Cb 0.85 -0.27 0.12 0.00 0.14 0.00 0.00 62.40 63.24 3h3a h SER 423 CO -0.02 1.54 0.33 -0.22 -1.14 0.00 0.00 176.83 177.33 3h3a s LEU 424 N -8.05 3.12 -1.44 5.07 2.96 0.18 -0.53 118.68 119.97 3h3a s LEU 424 Ca -0.10 1.85 -0.10 0.00 -0.22 0.00 0.00 54.13 55.56 3h3a s LEU 424 Cb 0.06 -4.53 0.06 0.00 0.50 0.00 0.00 46.19 42.29 3h3a s LEU 424 CO 0.92 -1.91 0.72 -0.62 -1.32 0.00 0.00 176.35 174.14 3h3a n GLU 425 N -3.25 -4.60 0.00 1.98 1.02 -1.26 -4.38 120.64 110.15 3h3a n GLU 425 Ca 0.09 0.62 0.00 0.00 -0.02 0.00 0.00 57.16 57.85 3h3a n GLU 425 Cb 0.53 -5.44 0.00 0.00 -0.02 0.00 0.00 31.44 26.51 3h3a n GLU 425 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3h3a n THR 426 N -4.37 0.00 -2.01 2.62 -1.04 -0.73 -5.04 114.28 103.71 3h3a n THR 426 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 3h3a n THR 426 Cb 0.55 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.06 3h3a n THR 426 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3h3a n GLU 427 N 0.00 -4.05 -3.44 -2.82 0.00 0.30 -5.05 120.64 105.58 3h3a n GLU 427 Ca 0.00 3.05 -0.23 0.00 0.00 0.00 0.00 57.16 59.98 3h3a n GLU 427 Cb 0.21 -3.72 -0.11 0.00 0.00 0.00 0.00 31.44 27.82 3h3a n GLU 427 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 3h3a s GLY 428 N -0.46 0.28 0.00 8.31 0.00 -1.24 -4.88 107.32 109.33 3h3a s GLY 428 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 43.68 3h3a s GLY 428 CO 0.00 2.39 0.00 1.17 0.00 0.00 0.00 173.10 176.66 3h3a n LYS 429 N 4.74 0.00 -3.25 2.90 4.81 -1.26 -4.83 118.16 121.27 3h3a n LYS 429 Ca 0.04 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.51 3h3a n LYS 429 Cb 0.43 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.43 3h3a n LYS 429 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 3h3a s LEU 430 N 0.00 -0.01 0.00 3.14 2.96 -1.26 -5.18 118.68 118.33 3h3a s LEU 430 Ca 0.00 0.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.92 3h3a s LEU 430 Cb 0.00 1.01 0.00 0.00 0.50 0.00 0.00 46.19 47.70 3h3a s LEU 430 CO 0.00 -0.00 0.00 0.00 -1.32 0.00 0.00 176.35 175.03