#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a4g s GLN 10 N 0.00 3.79 0.31 5.31 0.74 -1.26 -5.00 119.66 123.55 3a4g s GLN 10 Ca 0.00 0.81 -0.28 0.00 0.05 0.00 0.00 55.36 55.94 3a4g s GLN 10 Cb 0.00 -3.89 -0.09 0.00 1.10 0.00 0.00 33.01 30.12 3a4g s GLN 10 CO 0.00 -1.29 1.10 -1.01 -0.55 0.00 0.00 175.29 173.53 3a4g s HIS 11 N 4.46 3.47 0.53 1.67 3.76 -1.26 -5.01 115.29 122.92 3a4g s HIS 11 Ca 0.51 1.68 -0.22 0.00 -0.15 0.00 0.00 55.06 56.88 3a4g s HIS 11 Cb -0.10 -3.26 -0.05 0.00 1.11 0.00 0.00 32.58 30.27 3a4g s HIS 11 CO 0.28 -0.63 1.31 -0.51 -0.85 0.00 0.00 174.74 174.33 3a4g s ASP 12 N -1.04 5.44 -0.13 1.40 1.01 -1.26 -5.02 116.67 117.08 3a4g s ASP 12 Ca 0.48 2.64 0.01 0.00 0.71 0.00 0.00 52.55 56.40 3a4g s ASP 12 Cb -0.30 -2.63 0.02 0.00 1.01 0.00 0.00 42.92 41.02 3a4g s ASP 12 CO 0.38 -1.44 -0.16 -0.76 0.21 0.00 0.00 175.17 173.40 3a4g s LEU 13 N -3.47 1.77 -1.45 1.23 1.43 -1.26 -4.33 118.68 112.60 3a4g s LEU 13 Ca 0.70 -0.47 -0.12 0.00 -1.03 0.00 0.00 54.13 53.22 3a4g s LEU 13 Cb -0.37 -1.17 0.08 0.00 0.03 0.00 0.00 46.19 44.76 3a4g s LEU 13 CO 0.44 0.00 0.71 0.49 0.23 0.00 0.00 176.35 178.23 3a4g n PHE 14 N 4.35 -1.99 -3.63 0.29 3.72 -1.26 -4.90 117.46 114.05 3a4g n PHE 14 Ca -0.19 0.67 -0.05 0.00 -0.05 0.00 0.00 57.45 57.83 3a4g n PHE 14 Cb 0.51 -3.47 -0.02 0.00 -0.94 0.00 0.00 39.48 35.56 3a4g n PHE 14 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3a4g s SER 15 N -2.98 -0.23 1.01 4.37 1.04 -1.26 -5.01 113.70 110.64 3a4g s SER 15 Ca 0.53 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.78 3a4g s SER 15 Cb -0.27 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.22 3a4g s SER 15 CO 0.65 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.83 3a4g n GLY 16 N -0.35 3.18 0.15 7.32 0.00 -1.26 -1.67 105.19 112.56 3a4g n GLY 16 Ca -0.07 0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.17 3a4g n GLY 16 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3a4g h THR 17 N 0.00 0.00 -0.51 2.61 1.35 -1.96 -3.28 112.91 111.12 3a4g h THR 17 Ca 0.00 -0.27 -0.00 0.00 -0.55 0.00 0.00 66.41 65.59 3a4g h THR 17 Cb 0.00 1.04 -0.02 0.00 -1.73 0.00 0.00 68.15 67.44 3a4g h THR 17 CO 0.00 0.00 0.31 0.15 -0.25 0.00 0.00 175.52 175.73 3a4g h PHE 18 N 0.00 0.66 -0.71 4.73 3.04 -1.51 -3.12 116.94 120.04 3a4g h PHE 18 Ca 0.00 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.92 3a4g h PHE 18 Cb 0.38 -0.22 -0.03 0.00 2.56 0.00 0.00 35.95 38.64 3a4g h PHE 18 CO 0.00 0.45 0.32 -1.49 -2.02 0.00 0.00 178.31 175.58 3a4g h TRP 19 N 0.68 1.01 -0.08 0.41 4.06 -1.74 -0.66 115.95 119.64 3a4g h TRP 19 Ca 0.18 -0.05 -0.18 0.00 2.06 0.00 0.00 58.89 60.91 3a4g h TRP 19 Cb -0.02 -0.32 -0.01 0.00 -1.00 0.00 0.00 29.16 27.82 3a4g h TRP 19 CO -0.03 0.75 -0.71 0.37 -3.56 0.00 0.00 178.44 175.26 3a4g h GLN 20 N 1.01 0.37 -1.15 0.49 4.15 -1.80 -3.43 115.11 114.75 3a4g h GLN 20 Ca 0.24 -0.29 -0.07 0.00 0.77 0.00 0.00 58.65 59.30 3a4g h GLN 20 Cb 0.13 0.06 -0.21 0.00 0.21 0.00 0.00 27.48 27.66 3a4g h GLN 20 CO -0.03 0.93 -0.46 1.21 -1.93 0.00 0.00 178.83 178.55 3a4g s ASN 21 N -6.95 -1.16 0.00 -0.69 2.47 -0.94 -5.01 114.94 102.66 3a4g s ASN 21 Ca -0.05 -0.55 0.29 0.00 0.42 0.00 0.00 52.86 52.97 3a4g s ASN 21 Cb 0.11 1.79 1.29 0.00 -1.45 0.00 0.00 41.25 42.99 3a4g s ASN 21 CO 0.83 -0.23 1.94 -0.81 -3.72 0.00 0.00 177.10 175.11 3a4g n PRO 22 N 4.76 0.18 -0.16 0.43 -0.04 -0.30 -4.38 135.00 135.49 3a4g n PRO 22 Ca 0.08 -0.01 -0.08 0.00 -0.04 0.00 0.00 63.50 63.46 3a4g n PRO 22 Cb 0.54 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.52 3a4g n PRO 22 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3a4g h HIS 23 N 0.03 0.61 -0.76 0.54 3.86 -1.95 -0.37 115.15 117.11 3a4g h HIS 23 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3a4g h HIS 23 Cb 0.42 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 28.65 3a4g h HIS 23 CO 0.00 0.41 0.48 -1.35 0.86 0.00 0.00 177.93 178.34 3a4g h PRO 24 N 0.63 1.01 -0.27 2.45 0.11 -1.99 0.05 132.00 133.99 3a4g h PRO 24 Ca 0.17 -0.08 0.05 0.00 0.11 0.00 0.00 66.00 66.25 3a4g h PRO 24 Cb -0.03 -0.22 -0.05 0.00 0.11 0.00 0.00 31.00 30.81 3a4g h PRO 24 CO -0.03 0.69 -0.01 0.00 -0.21 0.00 0.00 178.00 178.43 3a4g h ALA 25 N 1.26 0.23 -0.80 -0.75 0.00 -1.68 -1.16 119.26 116.36 3a4g h ALA 25 Ca 0.28 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 3a4g h ALA 25 Cb -0.08 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3a4g h ALA 25 CO -0.06 -0.43 0.37 1.88 0.00 0.00 0.00 179.25 181.01 3a4g h TYR 26 N 0.06 1.16 -0.65 0.00 0.05 -0.63 -1.01 116.97 115.95 3a4g h TYR 26 Ca 0.13 -0.06 -0.02 0.00 0.05 0.00 0.00 58.73 58.83 3a4g h TYR 26 Cb 0.18 -0.36 -0.03 0.00 1.01 0.00 0.00 36.73 37.53 3a4g h TYR 26 CO -0.22 0.85 0.31 0.00 -1.05 0.00 0.00 178.16 178.04 3a4g h ALA 27 N 1.26 0.84 -0.48 3.88 0.00 -0.59 -0.12 119.26 124.05 3a4g h ALA 27 Ca 0.27 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3a4g h ALA 27 Cb 0.14 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3a4g h ALA 27 CO -0.03 0.40 0.08 0.00 0.00 0.00 0.00 179.25 179.70 3a4g h ALA 28 N 1.14 0.63 -0.17 0.00 0.00 -0.96 -1.76 119.26 118.14 3a4g h ALA 28 Ca 0.22 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3a4g h ALA 28 Cb 0.13 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3a4g h ALA 28 CO -0.03 0.36 -0.08 -0.07 0.00 0.00 0.00 179.25 179.43 3a4g h LEU 29 N 0.66 -0.26 -0.90 0.00 3.38 -0.91 0.13 115.31 117.40 3a4g h LEU 29 Ca 0.15 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.21 3a4g h LEU 29 Cb 0.38 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 3a4g h LEU 29 CO 0.01 -0.10 0.59 0.03 0.09 0.00 0.00 178.44 179.05 3a4g h ARG 30 N -0.06 1.11 -0.18 1.13 3.08 -0.83 0.16 114.38 118.80 3a4g h ARG 30 Ca 0.09 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 59.99 3a4g h ARG 30 Cb 0.20 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 3a4g h ARG 30 CO -0.21 0.73 -0.24 0.00 -1.07 0.00 0.00 179.97 179.19 3a4g h ALA 31 N 1.37 0.27 0.00 0.04 0.00 -1.04 -3.41 119.26 116.48 3a4g h ALA 31 Ca 0.36 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3a4g h ALA 31 Cb -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3a4g h ALA 31 CO -0.11 0.23 -0.58 0.39 0.00 0.00 0.00 179.25 179.18 3a4g n GLU 32 N -4.42 3.03 -2.80 0.00 -0.58 0.42 -4.88 120.64 111.40 3a4g n GLU 32 Ca -0.06 -0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.58 3a4g n GLU 32 Cb 0.43 -0.79 0.06 0.00 -0.57 0.00 0.00 31.44 30.57 3a4g n GLU 32 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3a4g n ASP 33 N -1.29 -1.98 0.00 1.62 -0.08 0.45 -5.02 116.55 110.25 3a4g n ASP 33 Ca -0.00 -3.53 0.10 0.00 -1.51 0.00 0.00 54.79 49.85 3a4g n ASP 33 Cb 0.01 1.54 0.47 0.00 2.34 0.00 0.00 41.12 45.47 3a4g n ASP 33 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3a4g n PRO 34 N 0.59 0.07 -3.54 -0.67 -0.04 -0.46 -4.30 135.00 126.64 3a4g n PRO 34 Ca 0.09 0.13 -0.26 0.00 -0.04 0.00 0.00 63.50 63.42 3a4g n PRO 34 Cb 0.68 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.49 3a4g n PRO 34 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3a4g s VAL 35 N -2.91 -0.14 -0.02 0.52 1.01 -1.25 -2.22 120.40 115.39 3a4g s VAL 35 Ca 0.12 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.62 3a4g s VAL 35 Cb 0.14 -0.82 0.02 0.00 0.00 0.00 0.00 36.38 35.72 3a4g s VAL 35 CO 0.37 -0.51 0.00 -0.60 0.00 0.00 0.00 175.10 174.36 3a4g s ARG 36 N 2.16 0.21 0.17 2.72 6.06 -0.87 -4.95 118.95 124.46 3a4g s ARG 36 Ca 0.07 0.08 -0.30 0.00 -2.50 0.00 0.00 55.73 53.08 3a4g s ARG 36 Cb -0.16 -0.39 -0.07 0.00 0.06 0.00 0.00 34.95 34.39 3a4g s ARG 36 CO -0.25 -0.12 0.99 0.21 -2.50 0.00 0.00 175.30 173.63 3a4g s LYS 37 N 0.90 4.72 -0.10 5.12 2.20 -1.26 -0.32 119.74 131.00 3a4g s LYS 37 Ca -0.09 1.54 0.02 0.00 -0.36 0.00 0.00 55.97 57.08 3a4g s LYS 37 Cb -0.12 -3.32 -0.01 0.00 -1.51 0.00 0.00 37.83 32.87 3a4g s LYS 37 CO -0.02 0.27 -0.19 -0.51 -0.36 0.00 0.00 175.35 174.55 3a4g s LEU 38 N -0.49 2.41 -0.99 5.43 1.43 0.59 -4.96 118.68 122.10 3a4g s LEU 38 Ca 0.46 -0.43 -0.19 0.00 -1.03 0.00 0.00 54.13 52.94 3a4g s LEU 38 Cb -0.26 -1.50 0.12 0.00 0.03 0.00 0.00 46.19 44.58 3a4g s LEU 38 CO 0.32 0.19 1.24 0.00 0.23 0.00 0.00 176.35 178.33 3a4g s ALA 39 N 0.20 3.32 0.50 4.21 0.00 -1.26 -1.87 121.76 126.86 3a4g s ALA 39 Ca -0.11 -2.75 -0.02 0.00 0.00 0.00 0.00 51.96 49.08 3a4g s ALA 39 Cb -0.16 -4.16 0.00 0.00 0.00 0.00 0.00 23.12 18.80 3a4g s ALA 39 CO 0.06 -3.08 0.75 -0.51 0.00 0.00 0.00 175.76 172.98 3a4g s LEU 40 N 3.02 3.50 0.17 0.00 1.43 -1.18 -4.97 118.68 120.63 3a4g s LEU 40 Ca 0.37 0.43 -0.13 0.00 -1.03 0.00 0.00 54.13 53.77 3a4g s LEU 40 Cb -0.03 -3.30 0.06 0.00 0.03 0.00 0.00 46.19 42.95 3a4g s LEU 40 CO -0.08 -0.83 1.77 1.55 0.23 0.00 0.00 176.35 178.99 3a4g h PRO 41 N 0.19 0.77 -0.00 1.29 0.13 -1.98 -2.35 132.00 130.05 3a4g h PRO 41 Ca -0.46 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 3a4g h PRO 41 Cb 1.25 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3a4g h PRO 41 CO 0.58 0.60 -0.24 -0.25 -0.23 0.00 0.00 178.00 178.46 3a4g n ASP 42 N -4.60 0.30 0.00 1.44 8.00 -1.26 -4.97 116.55 115.46 3a4g n ASP 42 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.53 3a4g n ASP 42 Cb 0.09 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 3a4g n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a4g n GLY 43 N 1.47 3.47 3.83 0.44 0.00 -0.88 -5.12 105.19 108.40 3a4g n GLY 43 Ca 0.07 -1.08 -0.32 0.00 0.00 0.00 0.00 46.02 44.69 3a4g n GLY 43 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3a4g s PRO 44 N -2.28 3.96 -0.04 1.61 0.04 -1.26 -3.13 135.00 133.90 3a4g s PRO 44 Ca 0.00 1.02 -0.10 0.00 0.04 0.00 0.00 61.00 61.96 3a4g s PRO 44 Cb 0.00 -2.14 0.02 0.00 0.04 0.00 0.00 34.50 32.42 3a4g s PRO 44 CO 0.00 -0.26 0.23 0.14 0.04 0.00 0.00 177.00 177.15 3a4g s VAL 45 N -2.50 0.04 0.16 -0.36 -7.23 -0.78 -4.63 120.40 105.10 3a4g s VAL 45 Ca 0.60 -0.35 -0.12 0.00 -1.81 0.00 0.00 61.98 60.30 3a4g s VAL 45 Cb -0.10 -0.45 -0.07 0.00 0.56 0.00 0.00 36.38 36.32 3a4g s VAL 45 CO 0.27 -0.19 0.53 0.26 -0.31 0.00 0.00 175.10 175.66 3a4g s TRP 46 N -0.74 3.56 -0.11 2.82 0.52 0.83 -0.30 118.94 125.51 3a4g s TRP 46 Ca -0.08 0.97 0.02 0.00 0.02 0.00 0.00 56.10 57.03 3a4g s TRP 46 Cb -0.05 -2.31 0.01 0.00 -1.15 0.00 0.00 33.47 29.98 3a4g s TRP 46 CO 0.02 0.40 -0.17 -1.17 0.02 0.00 0.00 176.95 176.05 3a4g s LEU 47 N -2.17 1.84 -0.18 2.99 2.96 0.56 0.33 118.68 125.01 3a4g s LEU 47 Ca 0.40 -0.47 -0.07 0.00 -0.22 0.00 0.00 54.13 53.76 3a4g s LEU 47 Cb -0.14 -1.19 -0.04 0.00 0.50 0.00 0.00 46.19 45.33 3a4g s LEU 47 CO 0.20 0.04 0.04 -0.76 -1.32 0.00 0.00 176.35 174.55 3a4g s LEU 48 N 0.88 3.67 -0.00 -0.68 1.02 -0.82 -2.04 118.68 120.70 3a4g s LEU 48 Ca -0.08 0.01 0.04 0.00 0.02 0.00 0.00 54.13 54.12 3a4g s LEU 48 Cb -0.15 -1.93 -0.05 0.00 0.02 0.00 0.00 46.19 44.08 3a4g s LEU 48 CO -0.01 0.15 0.10 0.35 0.02 0.00 0.00 176.35 176.97 3a4g n THR 49 N 3.68 0.00 -2.70 5.49 -2.24 -0.94 -0.02 114.28 117.55 3a4g n THR 49 Ca -0.17 -0.19 -0.41 0.00 -2.27 0.00 0.00 64.05 61.02 3a4g n THR 49 Cb 0.52 0.61 -0.05 0.00 -2.10 0.00 0.00 70.33 69.31 3a4g n THR 49 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3a4g s ARG 50 N -1.94 4.75 0.15 -0.78 0.52 -1.26 -2.69 118.95 117.69 3a4g s ARG 50 Ca -0.00 1.51 -0.19 0.00 -0.52 0.00 0.00 55.73 56.53 3a4g s ARG 50 Cb 0.02 -3.32 0.03 0.00 0.52 0.00 0.00 34.95 32.20 3a4g s ARG 50 CO 0.15 0.32 1.68 -0.92 0.02 0.00 0.00 175.30 176.54 3a4g h TYR 51 N 4.90 -0.20 -0.81 -0.53 5.03 -1.89 0.03 116.97 123.49 3a4g h TYR 51 Ca -0.44 0.03 0.01 0.00 2.58 0.00 0.00 58.73 60.90 3a4g h TYR 51 Cb 1.21 0.13 -0.04 0.00 1.55 0.00 0.00 36.73 39.58 3a4g h TYR 51 CO 0.63 -0.15 0.53 0.00 -1.32 0.00 0.00 178.16 177.85 3a4g h ALA 52 N 1.24 1.41 -0.23 1.82 0.00 -1.93 -0.06 119.26 121.52 3a4g h ALA 52 Ca 0.14 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3a4g h ALA 52 Cb 0.24 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3a4g h ALA 52 CO -0.31 0.54 -0.26 -0.44 0.00 0.00 0.00 179.25 178.78 3a4g h ASP 53 N 1.10 0.62 -0.22 0.00 3.32 -1.82 -1.26 116.42 118.16 3a4g h ASP 53 Ca 0.30 -0.49 0.03 0.00 0.02 0.00 0.00 57.03 56.88 3a4g h ASP 53 Cb -0.12 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.23 3a4g h ASP 53 CO -0.06 0.99 0.06 0.58 -1.72 0.00 0.00 179.24 179.08 3a4g h VAL 54 N 0.27 0.92 -0.24 -1.35 2.07 -0.65 0.12 116.25 117.38 3a4g h VAL 54 Ca 0.03 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.51 3a4g h VAL 54 Cb 0.83 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 3a4g h VAL 54 CO 0.06 0.03 0.13 0.03 0.02 0.00 0.00 177.57 177.84 3a4g h ARG 55 N 0.15 0.27 -0.74 1.57 3.08 -0.98 -1.84 114.38 115.89 3a4g h ARG 55 Ca 0.10 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.15 3a4g h ARG 55 Cb 0.08 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 3a4g h ARG 55 CO -0.12 0.18 0.48 1.49 -1.07 0.00 0.00 179.97 180.93 3a4g h GLU 56 N 0.28 0.93 -0.59 0.04 4.81 -1.03 -2.97 114.58 116.05 3a4g h GLU 56 Ca 0.10 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 3a4g h GLU 56 Cb 0.01 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.15 3a4g h GLU 56 CO -0.05 0.62 0.17 0.00 -0.73 0.00 0.00 179.01 179.01 3a4g h ALA 57 N 1.29 1.20 -0.12 2.92 0.00 -0.26 -1.13 119.26 123.15 3a4g h ALA 57 Ca 0.28 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3a4g h ALA 57 Cb -0.06 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 3a4g h ALA 57 CO -0.08 0.56 0.11 0.74 0.00 0.00 0.00 179.25 180.58 3a4g h PHE 58 N 0.86 0.00 -0.26 0.00 -1.00 -1.18 -1.99 116.94 113.37 3a4g h PHE 58 Ca 0.19 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.97 3a4g h PHE 58 Cb 0.27 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.83 3a4g h PHE 58 CO 0.02 0.00 0.00 1.33 -1.61 0.00 0.00 178.31 178.05 3a4g n VAL 59 N -4.14 0.93 -2.59 -0.55 0.24 -0.82 -4.67 118.33 106.72 3a4g n VAL 59 Ca 0.00 -0.97 -0.43 0.00 -2.04 0.00 0.00 64.34 60.91 3a4g n VAL 59 Cb 0.22 0.55 -0.02 0.00 -1.47 0.00 0.00 33.84 33.12 3a4g n VAL 59 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3a4g s ASP 60 N -0.98 6.93 0.23 -1.34 3.68 -0.49 -4.91 116.67 119.78 3a4g s ASP 60 Ca 0.18 1.19 0.22 0.00 2.13 0.00 0.00 52.55 56.27 3a4g s ASP 60 Cb 0.10 -2.54 0.94 0.00 -1.45 0.00 0.00 42.92 39.96 3a4g s ASP 60 CO 0.13 -0.86 1.66 -0.81 0.13 0.00 0.00 175.17 175.42 3a4g n PRO 61 N 6.80 0.16 0.00 4.34 -0.04 -1.26 -1.50 135.00 143.50 3a4g n PRO 61 Ca 0.13 0.43 0.14 0.00 -0.04 0.00 0.00 63.50 64.15 3a4g n PRO 61 Cb 0.47 -1.83 0.59 0.00 -0.04 0.00 0.00 33.50 32.68 3a4g n PRO 61 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3a4g n ARG 62 N -2.13 0.38 -3.59 0.54 1.74 -1.26 -4.56 116.66 107.78 3a4g n ARG 62 Ca 0.02 -0.10 -0.40 0.00 -0.77 0.00 0.00 57.85 56.59 3a4g n ARG 62 Cb 0.20 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 30.04 3a4g n ARG 62 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3a4g s LEU 63 N -2.69 5.34 0.27 0.55 1.43 -0.56 -0.16 118.68 122.86 3a4g s LEU 63 Ca 0.23 -1.64 0.07 0.00 -1.03 0.00 0.00 54.13 51.76 3a4g s LEU 63 Cb 0.19 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 3a4g s LEU 63 CO 0.52 -0.59 0.20 -0.55 0.23 0.00 0.00 176.35 176.16 3a4g s SER 64 N 2.31 5.41 0.00 2.29 0.15 0.12 -4.80 113.70 119.18 3a4g s SER 64 Ca 0.04 -0.33 0.25 0.00 0.70 0.00 0.00 55.95 56.61 3a4g s SER 64 Cb -0.24 -1.28 0.55 0.00 -1.71 0.00 0.00 66.02 63.34 3a4g s SER 64 CO 0.01 -0.10 1.46 0.29 1.20 0.00 0.00 173.24 176.10 3a4g n LYS 65 N -1.20 2.09 -2.93 5.44 4.76 -1.26 0.06 118.16 125.12 3a4g n LYS 65 Ca -0.06 -1.60 -0.43 0.00 -2.87 0.00 0.00 58.31 53.35 3a4g n LYS 65 Cb 0.58 -1.47 -0.05 0.00 -1.84 0.00 0.00 35.03 32.26 3a4g n LYS 65 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3a4g s ASP 66 N -1.87 6.32 0.47 4.39 3.68 -1.26 -4.59 116.67 123.80 3a4g s ASP 66 Ca 0.33 -0.47 0.31 0.00 2.13 0.00 0.00 52.55 54.85 3a4g s ASP 66 Cb 0.20 -2.40 1.67 0.00 -1.45 0.00 0.00 42.92 40.95 3a4g s ASP 66 CO 0.31 -1.12 1.93 4.11 0.13 0.00 0.00 175.17 180.54 3a4g h TRP 67 N 9.20 0.00 0.00 -5.34 5.08 -1.88 -2.79 115.95 120.22 3a4g h TRP 67 Ca -0.26 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.71 3a4g h TRP 67 Cb 1.08 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.24 3a4g h TRP 67 CO 0.86 0.00 0.00 0.54 -1.28 0.00 0.00 178.44 178.56 3a4g n ARG 68 N -2.59 0.16 0.21 0.12 1.74 -1.26 -1.48 116.66 113.56 3a4g n ARG 68 Ca -0.02 0.45 0.15 0.00 -0.77 0.00 0.00 57.85 57.65 3a4g n ARG 68 Cb 0.07 -1.84 0.67 0.00 -1.02 0.00 0.00 32.46 30.33 3a4g n ARG 68 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3a4g h HIS 69 N 0.00 0.00 0.00 -1.55 3.86 -1.85 -1.27 115.15 114.34 3a4g h HIS 69 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3a4g h HIS 69 Cb 0.28 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.75 3a4g h HIS 69 CO 0.00 0.00 0.00 0.25 0.86 0.00 0.00 177.93 179.04 3a4g n THR 70 N -2.60 0.75 -3.49 2.45 -2.24 -0.55 -3.99 114.28 104.61 3a4g n THR 70 Ca 0.00 0.11 -0.38 0.00 -2.27 0.00 0.00 64.05 61.52 3a4g n THR 70 Cb 0.19 -0.97 -0.06 0.00 -2.10 0.00 0.00 70.33 67.39 3a4g n THR 70 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3a4g s LEU 71 N -4.12 4.42 0.71 3.22 1.43 -0.48 -4.97 118.68 118.89 3a4g s LEU 71 Ca 0.07 0.87 -0.16 0.00 -1.03 0.00 0.00 54.13 53.88 3a4g s LEU 71 Cb 0.11 -2.56 0.03 0.00 0.03 0.00 0.00 46.19 43.80 3a4g s LEU 71 CO 0.42 0.26 1.23 -2.16 0.23 0.00 0.00 176.35 176.33 3a4g s PRO 72 N -0.65 2.25 0.30 1.29 0.04 -1.26 -4.87 135.00 132.09 3a4g s PRO 72 Ca 0.23 1.85 0.04 0.00 0.04 0.00 0.00 61.00 63.16 3a4g s PRO 72 Cb -0.16 -1.84 0.77 0.00 0.04 0.00 0.00 34.50 33.32 3a4g s PRO 72 CO 0.11 -1.77 1.67 1.49 0.04 0.00 0.00 177.00 178.54 3a4g h GLU 73 N -0.05 0.29 0.00 4.56 4.57 -1.96 0.31 114.58 122.30 3a4g h GLU 73 Ca -0.49 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 3a4g h GLU 73 Cb 1.31 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 3a4g h GLU 73 CO 0.51 0.19 0.00 -0.40 -1.18 0.00 0.00 179.01 178.13 3a4g n ASP 74 N -5.13 0.00 -0.91 1.04 5.75 -1.26 -3.24 116.55 112.79 3a4g n ASP 74 Ca 0.23 0.07 0.08 0.00 -0.01 0.00 0.00 54.79 55.16 3a4g n ASP 74 Cb 0.71 -0.31 0.22 0.00 -1.03 0.00 0.00 41.12 40.71 3a4g n ASP 74 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3a4g n GLN 75 N -1.31 2.89 0.06 0.11 6.02 0.10 -4.73 117.38 120.52 3a4g n GLN 75 Ca 0.08 -2.32 0.11 0.00 -0.01 0.00 0.00 57.00 54.87 3a4g n GLN 75 Cb 0.16 -1.42 -0.02 0.00 1.02 0.00 0.00 30.24 29.98 3a4g n GLN 75 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3a4g n ARG 76 N 0.83 0.50 -0.20 -1.09 1.74 -1.20 -4.67 116.66 112.57 3a4g n ARG 76 Ca 0.17 0.02 -0.10 0.00 -0.77 0.00 0.00 57.85 57.17 3a4g n ARG 76 Cb 0.53 -1.69 -0.05 0.00 -1.02 0.00 0.00 32.46 30.23 3a4g n ARG 76 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3a4g h ALA 77 N 2.19 -0.45 0.00 7.54 0.00 -1.84 -2.16 119.26 124.54 3a4g h ALA 77 Ca 0.00 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3a4g h ALA 77 Cb 0.90 1.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.71 3a4g h ALA 77 CO 0.00 -0.89 -0.11 -0.44 0.00 0.00 0.00 179.25 177.82 3a4g h ASP 78 N -0.26 0.00 -3.45 0.00 3.32 -1.98 -3.47 116.42 110.58 3a4g h ASP 78 Ca 0.15 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.68 3a4g h ASP 78 Cb 0.56 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 3a4g h ASP 78 CO -0.68 0.11 0.42 -0.04 -1.72 0.00 0.00 179.24 177.33 3a4g s MET 79 N -4.02 4.59 0.59 3.56 -1.94 -0.82 -5.04 119.30 116.22 3a4g s MET 79 Ca -0.02 1.55 -0.14 0.00 -1.71 0.00 0.00 55.69 55.38 3a4g s MET 79 Cb 0.12 -3.38 -0.04 0.00 2.01 0.00 0.00 34.83 33.54 3a4g s MET 79 CO 0.57 0.02 1.02 -1.25 -0.01 0.00 0.00 175.02 175.37 3a4g s PRO 80 N 0.45 3.56 0.17 2.03 0.04 -1.26 -4.98 135.00 135.01 3a4g s PRO 80 Ca 0.51 0.93 -0.09 0.00 0.04 0.00 0.00 61.00 62.39 3a4g s PRO 80 Cb -0.25 -2.08 0.04 0.00 0.04 0.00 0.00 34.50 32.26 3a4g s PRO 80 CO 0.30 -0.60 1.59 0.00 0.04 0.00 0.00 177.00 178.34 3a4g h ALA 81 N 0.16 0.76 -2.77 8.56 0.00 -1.98 -3.46 119.26 120.51 3a4g h ALA 81 Ca -0.45 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 53.95 3a4g h ALA 81 Cb 1.20 -0.19 -0.20 0.00 0.00 0.00 0.00 17.79 18.60 3a4g h ALA 81 CO 0.60 0.67 -0.56 0.95 0.00 0.00 0.00 179.25 180.92 3a4g s THR 82 N -4.82 0.10 -0.14 0.00 -4.23 -1.26 -4.52 115.64 100.78 3a4g s THR 82 Ca -0.11 -0.86 0.21 0.00 -1.18 0.00 0.00 61.69 59.74 3a4g s THR 82 Cb 0.13 -0.50 0.21 0.00 1.34 0.00 0.00 72.50 73.67 3a4g s THR 82 CO 0.87 -0.47 1.63 -0.65 -0.54 0.00 0.00 174.62 175.45 3a4g h PRO 83 N 4.22 0.00 -2.71 3.99 0.11 -1.96 -3.44 132.00 132.21 3a4g h PRO 83 Ca -0.32 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.68 3a4g h PRO 83 Cb 1.20 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 32.06 3a4g h PRO 83 CO 0.43 0.25 -0.25 -0.08 -0.21 0.00 0.00 178.00 178.15 3a4g s THR 84 N -3.26 -0.01 -0.94 -1.15 -1.32 -1.26 -5.05 115.64 102.66 3a4g s THR 84 Ca 0.04 0.03 -0.07 0.00 -1.21 0.00 0.00 61.69 60.48 3a4g s THR 84 Cb 0.08 -0.59 -0.09 0.00 -1.51 0.00 0.00 72.50 70.38 3a4g s THR 84 CO 0.68 0.01 2.51 -0.81 -2.21 0.00 0.00 174.62 174.80 3a4g n PRO 85 N 3.24 2.44 -3.26 7.08 -0.04 -1.26 -4.84 135.00 138.36 3a4g n PRO 85 Ca -0.16 -1.53 -0.39 0.00 -0.04 0.00 0.00 63.50 61.39 3a4g n PRO 85 Cb 0.57 -2.43 -0.06 0.00 -0.04 0.00 0.00 33.50 31.54 3a4g n PRO 85 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3a4g s MET 86 N 2.65 4.28 0.46 0.54 -1.94 -1.26 -4.78 119.30 119.25 3a4g s MET 86 Ca 0.51 0.64 0.16 0.00 -1.71 0.00 0.00 55.69 55.28 3a4g s MET 86 Cb 0.15 -3.35 1.07 0.00 2.01 0.00 0.00 34.83 34.72 3a4g s MET 86 CO -0.03 0.35 2.02 1.98 -0.01 0.00 0.00 175.02 179.33 3a4g h MET 87 N 5.79 0.00 0.00 2.03 1.85 -1.93 -0.79 114.93 121.88 3a4g h MET 87 Ca -0.45 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.64 3a4g h MET 87 Cb 1.20 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.23 3a4g h MET 87 CO 0.70 0.16 0.00 0.97 -0.40 0.00 0.00 176.91 178.34 3a4g h ILE 88 N 0.00 0.00 -0.66 1.77 2.10 -1.97 -1.84 117.51 116.91 3a4g h ILE 88 Ca -0.00 -0.27 0.00 0.00 1.08 0.00 0.00 64.86 65.67 3a4g h ILE 88 Cb 0.28 1.12 0.00 0.00 -1.09 0.00 0.00 36.82 37.14 3a4g h ILE 88 CO 0.02 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.27 3a4g n LEU 89 N -2.73 4.77 -4.49 2.19 4.77 -0.30 -4.93 117.00 116.28 3a4g n LEU 89 Ca 0.00 -2.43 -0.27 0.00 -0.03 0.00 0.00 56.01 53.28 3a4g n LEU 89 Cb 0.20 -0.58 -0.11 0.00 -2.33 0.00 0.00 43.42 40.61 3a4g n LEU 89 CO 0.21 0.83 -0.48 -0.04 -1.33 0.00 0.00 177.39 176.58 3a4g s MET 90 N -1.81 1.75 0.36 3.23 -1.94 -0.69 -4.37 119.30 115.84 3a4g s MET 90 Ca 0.52 -1.39 0.03 0.00 -1.71 0.00 0.00 55.69 53.14 3a4g s MET 90 Cb 0.33 -2.00 -0.01 0.00 2.01 0.00 0.00 34.83 35.16 3a4g s MET 90 CO 0.25 0.42 0.54 -0.51 -0.01 0.00 0.00 175.02 175.72 3a4g s ASP 91 N -2.66 6.04 0.75 3.03 -0.00 -1.26 -4.68 116.67 117.89 3a4g s ASP 91 Ca 0.22 0.15 -0.15 0.00 -0.00 0.00 0.00 52.55 52.77 3a4g s ASP 91 Cb -0.09 -1.60 0.04 0.00 -0.00 0.00 0.00 42.92 41.28 3a4g s ASP 91 CO 0.12 -0.44 1.14 -2.65 -0.00 0.00 0.00 175.17 173.34 3a4g n PRO 92 N -1.79 0.47 0.15 8.23 -0.02 -1.26 -1.05 135.00 139.73 3a4g n PRO 92 Ca -0.02 0.23 0.13 0.00 -2.02 0.00 0.00 63.50 61.81 3a4g n PRO 92 Cb 0.57 -2.39 0.29 0.00 -0.02 0.00 0.00 33.50 31.96 3a4g n PRO 92 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3a4g h PRO 93 N -0.42 0.00 -0.50 0.52 0.13 -2.01 -3.45 132.00 126.27 3a4g h PRO 93 Ca -0.48 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.68 3a4g h PRO 93 Cb 1.32 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.41 3a4g h PRO 93 CO 0.47 0.00 0.29 -0.44 -0.23 0.00 0.00 178.00 178.09 3a4g h ASP 94 N 0.00 0.46 -0.76 1.44 3.32 -1.93 -1.65 116.42 117.30 3a4g h ASP 94 Ca 0.00 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.10 3a4g h ASP 94 Cb 0.86 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 40.27 3a4g h ASP 94 CO 0.00 0.32 0.48 -0.74 -1.72 0.00 0.00 179.24 177.58 3a4g h HIS 95 N 0.57 0.89 -0.48 4.55 -0.00 -1.36 -2.80 115.15 116.51 3a4g h HIS 95 Ca 0.21 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.60 3a4g h HIS 95 Cb 0.05 -0.29 -0.02 0.00 -0.00 0.00 0.00 27.41 27.14 3a4g h HIS 95 CO -0.07 0.49 0.31 1.15 -0.00 0.00 0.00 177.93 179.81 3a4g h THR 96 N 0.91 1.13 -0.09 6.26 2.02 -1.57 0.96 112.91 122.53 3a4g h THR 96 Ca 0.32 -0.24 0.01 0.00 0.77 0.00 0.00 66.41 67.26 3a4g h THR 96 Cb 0.07 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 3a4g h THR 96 CO -0.13 0.12 0.04 -0.09 0.37 0.00 0.00 175.52 175.83 3a4g h ARG 97 N 0.65 0.09 -0.42 6.66 2.43 -1.30 -1.26 114.38 121.22 3a4g h ARG 97 Ca 0.18 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.24 3a4g h ARG 97 Cb -0.07 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 3a4g h ARG 97 CO -0.04 0.06 -0.14 -0.07 -1.51 0.00 0.00 179.97 178.27 3a4g h LEU 98 N 0.09 0.78 -0.63 3.80 3.38 -1.15 -1.30 115.31 120.27 3a4g h LEU 98 Ca 0.04 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 3a4g h LEU 98 Cb 0.01 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3a4g h LEU 98 CO -0.03 0.93 0.10 -0.09 0.09 0.00 0.00 178.44 179.45 3a4g h ARG 99 N 0.70 1.04 -0.06 1.13 9.65 -0.75 -0.87 114.38 125.23 3a4g h ARG 99 Ca 0.11 -0.28 -0.00 0.00 -1.10 0.00 0.00 59.98 58.71 3a4g h ARG 99 Cb 0.63 -0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 29.09 3a4g h ARG 99 CO 0.04 0.97 0.03 -0.22 2.80 0.00 0.00 179.97 183.60 3a4g h LYS 100 N 0.96 0.09 -0.17 0.20 3.64 -1.02 0.29 116.57 120.55 3a4g h LYS 100 Ca 0.19 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 3a4g h LYS 100 Cb 0.43 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 3a4g h LYS 100 CO 0.01 0.13 0.07 -0.07 -2.27 0.00 0.00 179.45 177.32 3a4g h LEU 101 N 0.02 0.24 -0.38 5.20 3.38 -1.02 -3.13 115.31 119.62 3a4g h LEU 101 Ca 0.02 -0.17 -0.18 0.00 0.09 0.00 0.00 57.88 57.64 3a4g h LEU 101 Cb 0.07 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3a4g h LEU 101 CO -0.00 0.35 -0.59 1.62 0.09 0.00 0.00 178.44 179.90 3a4g h VAL 102 N 0.12 1.30 -0.88 1.22 3.04 -1.17 -3.29 116.25 116.58 3a4g h VAL 102 Ca 0.06 -1.82 0.07 0.00 -1.01 0.00 0.00 66.70 64.00 3a4g h VAL 102 Cb 0.19 1.77 -0.06 0.00 -2.01 0.00 0.00 31.29 31.18 3a4g h VAL 102 CO -0.00 0.58 0.57 1.23 -1.01 0.00 0.00 177.57 178.94 3a4g h GLY 103 N 0.87 1.27 -0.90 3.17 0.00 -0.91 -1.58 103.07 105.00 3a4g h GLY 103 Ca -0.00 -0.39 0.19 0.00 0.00 0.00 0.00 47.33 47.13 3a4g h GLY 103 CO 0.12 0.27 -0.21 0.54 0.00 0.00 0.00 176.54 177.26 3a4g n ARG 104 N -4.50 -0.08 0.17 4.80 1.74 -1.19 -0.95 116.66 116.65 3a4g n ARG 104 Ca 0.14 1.40 0.13 0.00 -0.77 0.00 0.00 57.85 58.75 3a4g n ARG 104 Cb 0.23 -2.11 0.35 0.00 -1.02 0.00 0.00 32.46 29.91 3a4g n ARG 104 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 3a4g h SER 105 N 0.00 0.00 -0.38 0.55 0.02 -1.49 -3.36 113.55 108.89 3a4g h SER 105 Ca 0.44 0.00 -0.70 0.00 -0.84 0.00 0.00 61.79 60.69 3a4g h SER 105 Cb 0.70 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.20 3a4g h SER 105 CO -0.92 0.00 3.21 0.49 -1.14 0.00 0.00 176.83 178.46 3a4g n PHE 106 N -2.68 2.78 -2.23 3.45 3.01 -0.13 -4.90 117.46 116.75 3a4g n PHE 106 Ca 0.04 -2.98 -0.32 0.00 1.01 0.00 0.00 57.45 55.20 3a4g n PHE 106 Cb 0.43 -2.32 -0.02 0.00 -0.01 0.00 0.00 39.48 37.57 3a4g n PHE 106 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3a4g s THR 107 N 1.56 4.30 0.22 4.37 -4.23 -1.26 -4.97 115.64 115.63 3a4g s THR 107 Ca 0.58 1.07 -0.08 0.00 -1.18 0.00 0.00 61.69 62.08 3a4g s THR 107 Cb 0.16 -3.61 0.16 0.00 1.34 0.00 0.00 72.50 70.55 3a4g s THR 107 CO -0.07 -0.66 1.78 0.58 -0.54 0.00 0.00 174.62 175.71 3a4g h VAL 108 N 0.64 0.88 -0.36 2.29 2.07 -1.96 -2.20 116.25 117.62 3a4g h VAL 108 Ca -0.47 -0.21 -0.09 0.00 0.82 0.00 0.00 66.70 66.75 3a4g h VAL 108 Cb 1.20 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 3a4g h VAL 108 CO 0.60 0.11 -0.17 0.03 0.02 0.00 0.00 177.57 178.17 3a4g h ARG 109 N 0.61 0.66 -0.49 1.57 3.08 -1.99 -0.93 114.38 116.88 3a4g h ARG 109 Ca 0.33 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 60.10 3a4g h ARG 109 Cb 0.31 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 3a4g h ARG 109 CO -0.24 0.79 0.11 -0.09 -1.07 0.00 0.00 179.97 179.46 3a4g h ARG 110 N 0.59 0.75 -0.09 0.04 2.43 -1.77 0.15 114.38 116.48 3a4g h ARG 110 Ca 0.10 -0.15 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 3a4g h ARG 110 Cb 0.62 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.05 3a4g h ARG 110 CO 0.04 0.69 -0.13 0.52 -1.51 0.00 0.00 179.97 179.58 3a4g h MET 111 N 0.72 0.25 -0.70 0.20 2.86 -1.05 -2.50 114.93 114.72 3a4g h MET 111 Ca 0.16 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3a4g h MET 111 Cb 0.29 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 3a4g h MET 111 CO -0.00 0.71 0.45 -0.91 1.06 0.00 0.00 176.91 178.22 3a4g h ASN 112 N -0.18 0.82 0.44 1.22 -0.26 -0.88 -2.30 115.58 114.43 3a4g h ASN 112 Ca 0.01 -0.03 -0.07 0.00 -0.56 0.00 0.00 56.30 55.66 3a4g h ASN 112 Cb 0.68 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.72 3a4g h ASN 112 CO 0.03 0.60 -0.31 -0.33 -1.06 0.00 0.00 177.43 176.36 3a4g h GLU 113 N 0.96 0.00 0.00 0.81 5.08 -0.60 -2.66 114.58 118.17 3a4g h GLU 113 Ca 0.26 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.52 3a4g h GLU 113 Cb -0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3a4g h GLU 113 CO -0.05 0.31 -0.44 -0.07 -1.00 0.00 0.00 179.01 177.76 3a4g h LEU 114 N 0.00 0.00 -0.51 1.33 3.38 -0.95 -3.38 115.31 115.18 3a4g h LEU 114 Ca -0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.06 3a4g h LEU 114 Cb 0.62 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.29 3a4g h LEU 114 CO 0.04 0.44 0.04 -0.08 0.09 0.00 0.00 178.44 178.97 3a4g h GLU 115 N 0.00 0.15 -0.50 1.13 4.81 -1.38 -0.56 114.58 118.23 3a4g h GLU 115 Ca -0.00 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 3a4g h GLU 115 Cb 1.06 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 3a4g h GLU 115 CO 0.06 0.10 0.24 -1.35 -0.73 0.00 0.00 179.01 177.32 3a4g h PRO 116 N 0.16 0.70 -0.34 0.92 0.11 -1.77 -0.55 132.00 131.23 3a4g h PRO 116 Ca 0.26 -0.08 -0.06 0.00 0.11 0.00 0.00 66.00 66.23 3a4g h PRO 116 Cb 0.38 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 3a4g h PRO 116 CO -0.40 0.55 -0.02 0.00 -0.21 0.00 0.00 178.00 177.93 3a4g h ARG 117 N 0.70 0.61 -0.91 1.05 2.47 -1.49 -1.00 114.38 115.81 3a4g h ARG 117 Ca 0.18 -0.20 -0.01 0.00 -1.26 0.00 0.00 59.98 58.68 3a4g h ARG 117 Cb 0.08 -0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 28.31 3a4g h ARG 117 CO -0.02 0.75 0.54 0.82 0.56 0.00 0.00 179.97 182.61 3a4g h ILE 118 N 0.41 1.25 -0.76 2.04 2.04 -0.72 -0.90 117.51 120.87 3a4g h ILE 118 Ca 0.09 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 3a4g h ILE 118 Cb 0.48 -0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.51 3a4g h ILE 118 CO 0.02 0.27 0.45 0.74 0.00 0.00 0.00 178.15 179.64 3a4g h THR 119 N 1.26 1.22 -0.47 -0.27 2.02 -0.91 -0.46 112.91 115.31 3a4g h THR 119 Ca 0.33 -0.49 -0.11 0.00 0.77 0.00 0.00 66.41 66.92 3a4g h THR 119 Cb -0.03 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 3a4g h THR 119 CO -0.06 0.23 -0.12 -0.33 0.37 0.00 0.00 175.52 175.61 3a4g h GLU 120 N 1.04 0.91 -0.46 6.66 5.08 -0.84 0.21 114.58 127.18 3a4g h GLU 120 Ca 0.27 -0.35 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3a4g h GLU 120 Cb -0.03 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3a4g h GLU 120 CO -0.05 1.00 0.30 0.82 -1.00 0.00 0.00 179.01 180.08 3a4g h ILE 121 N 0.75 1.10 0.05 3.13 2.04 -0.84 -0.09 117.51 123.65 3a4g h ILE 121 Ca 0.12 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 3a4g h ILE 121 Cb 0.67 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 3a4g h ILE 121 CO 0.05 0.11 -0.02 0.00 0.00 0.00 0.00 178.15 178.29 3a4g h ALA 122 N 1.18 -0.07 -0.85 1.87 0.00 -0.93 -2.74 119.26 117.71 3a4g h ALA 122 Ca 0.17 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 55.02 3a4g h ALA 122 Cb -0.05 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 3a4g h ALA 122 CO -0.05 -0.36 0.55 -0.44 0.00 0.00 0.00 179.25 178.96 3a4g h ASP 123 N -0.42 0.68 -0.65 0.00 3.45 -0.90 0.00 116.42 118.58 3a4g h ASP 123 Ca -0.01 0.03 -0.08 0.00 0.43 0.00 0.00 57.03 57.40 3a4g h ASP 123 Cb 0.38 -0.11 -0.03 0.00 -0.56 0.00 0.00 39.33 39.01 3a4g h ASP 123 CO 0.01 0.38 0.10 1.23 -1.57 0.00 0.00 179.24 179.39 3a4g h GLY 124 N 0.74 1.17 0.82 2.75 0.00 -0.91 -1.21 103.07 106.43 3a4g h GLY 124 Ca 0.41 -0.79 -0.08 0.00 0.00 0.00 0.00 47.33 46.87 3a4g h GLY 124 CO -0.17 0.73 -0.20 1.41 0.00 0.00 0.00 176.54 178.30 3a4g h LEU 125 N 1.00 0.50 -1.30 3.11 3.38 -1.10 -3.19 115.31 117.72 3a4g h LEU 125 Ca 0.20 -0.49 0.07 0.00 0.09 0.00 0.00 57.88 57.76 3a4g h LEU 125 Cb 0.45 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 3a4g h LEU 125 CO 0.01 0.89 0.52 -0.07 0.09 0.00 0.00 178.44 179.88 3a4g h LEU 126 N 0.13 0.73 -1.27 1.67 3.38 -0.78 -2.18 115.31 117.00 3a4g h LEU 126 Ca 0.03 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 3a4g h LEU 126 Cb 0.75 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3a4g h LEU 126 CO 0.05 0.46 -0.25 0.00 0.09 0.00 0.00 178.44 178.79 3a4g h ALA 127 N 1.58 1.39 -0.00 1.53 0.00 -1.21 -2.84 119.26 119.71 3a4g h ALA 127 Ca 0.35 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3a4g h ALA 127 Cb 0.30 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3a4g h ALA 127 CO -0.13 0.43 -0.28 0.41 0.00 0.00 0.00 179.25 179.68 3a4g n GLY 128 N -0.63 -1.29 3.76 0.00 0.00 -0.83 -4.89 105.19 101.31 3a4g n GLY 128 Ca -0.01 -0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 3a4g n GLY 128 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a4g s LEU 129 N -2.93 4.51 0.61 0.99 1.43 -1.07 -5.08 118.68 117.14 3a4g s LEU 129 Ca 0.14 1.56 -0.14 0.00 -1.03 0.00 0.00 54.13 54.66 3a4g s LEU 129 Cb 0.18 -3.29 -0.03 0.00 0.03 0.00 0.00 46.19 43.08 3a4g s LEU 129 CO 0.61 0.08 1.05 -2.16 0.23 0.00 0.00 176.35 176.16 3a4g s PRO 130 N -0.47 3.30 -0.02 1.29 0.04 -1.26 -5.02 135.00 132.86 3a4g s PRO 130 Ca 0.38 1.09 -0.23 0.00 0.04 0.00 0.00 61.00 62.29 3a4g s PRO 130 Cb -0.22 -2.04 -0.22 0.00 0.04 0.00 0.00 34.50 32.06 3a4g s PRO 130 CO 0.25 -0.81 1.08 1.15 0.04 0.00 0.00 177.00 178.71 3a4g h THR 131 N 0.15 1.49 -3.30 1.26 2.02 -1.95 -3.38 112.91 109.20 3a4g h THR 131 Ca -0.46 -1.91 -0.64 0.00 0.77 0.00 0.00 66.41 64.16 3a4g h THR 131 Cb 1.21 2.62 -0.18 0.00 -1.74 0.00 0.00 68.15 70.06 3a4g h THR 131 CO 0.58 0.54 -0.62 -1.81 0.37 0.00 0.00 175.52 174.57 3a4g s ASP 132 N -6.42 5.17 0.00 4.18 -0.00 -1.26 -0.43 116.67 117.91 3a4g s ASP 132 Ca -0.15 0.02 0.00 0.00 -0.00 0.00 0.00 52.55 52.42 3a4g s ASP 132 Cb 0.02 -1.75 0.00 0.00 -0.00 0.00 0.00 42.92 41.20 3a4g s ASP 132 CO 0.77 0.23 0.00 0.61 -0.00 0.00 0.00 175.17 176.78 3a4g n GLY 133 N 3.11 1.38 3.77 0.21 0.00 -1.26 -4.98 105.19 107.42 3a4g n GLY 133 Ca -0.18 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 3a4g n GLY 133 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3a4g s PRO 134 N 1.74 2.54 0.09 1.61 0.02 -1.26 -5.13 135.00 134.61 3a4g s PRO 134 Ca 0.00 1.23 0.09 0.00 0.02 0.00 0.00 61.00 62.35 3a4g s PRO 134 Cb 0.00 -1.93 -0.03 0.00 0.02 0.00 0.00 34.50 32.56 3a4g s PRO 134 CO 0.00 -1.43 -0.24 0.14 -0.33 0.00 0.00 177.00 175.14 3a4g s VAL 135 N -2.69 1.98 -0.61 3.83 -7.23 -0.11 -4.92 120.40 110.65 3a4g s VAL 135 Ca 0.63 -1.53 -0.23 0.00 -1.81 0.00 0.00 61.98 59.05 3a4g s VAL 135 Cb -0.18 -1.75 0.06 0.00 0.56 0.00 0.00 36.38 35.07 3a4g s VAL 135 CO 0.50 0.13 0.91 -0.62 -0.31 0.00 0.00 175.10 175.71 3a4g s ASP 136 N -1.69 6.23 0.58 4.85 3.68 -1.26 -0.62 116.67 128.43 3a4g s ASP 136 Ca 0.10 -0.82 0.32 0.00 2.13 0.00 0.00 52.55 54.29 3a4g s ASP 136 Cb -0.10 -2.41 1.78 0.00 -1.45 0.00 0.00 42.92 40.75 3a4g s ASP 136 CO 0.04 -1.31 2.20 0.25 0.13 0.00 0.00 175.17 176.48 3a4g h LEU 137 N 11.03 0.00 0.36 -1.34 5.85 -1.35 -1.52 115.31 128.35 3a4g h LEU 137 Ca -0.28 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.42 3a4g h LEU 137 Cb 1.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.11 3a4g h LEU 137 CO 1.13 0.04 -0.17 0.24 -0.34 0.00 0.00 178.44 179.34 3a4g h MET 138 N 0.00 -0.47 -0.88 1.25 2.86 -1.91 -0.98 114.93 114.80 3a4g h MET 138 Ca -0.00 0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.73 3a4g h MET 138 Cb 0.15 0.11 -0.06 0.00 0.06 0.00 0.00 31.60 31.86 3a4g h MET 138 CO 0.01 -0.31 0.57 -0.09 1.06 0.00 0.00 176.91 178.15 3a4g h ARG 139 N -0.75 0.97 0.00 1.72 2.43 -1.83 0.96 114.38 117.89 3a4g h ARG 139 Ca -0.05 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 3a4g h ARG 139 Cb 0.37 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3a4g h ARG 139 CO 0.08 0.64 -0.68 0.93 -1.51 0.00 0.00 179.97 179.43 3a4g h GLU 140 N 1.00 0.00 0.00 0.20 4.39 -1.39 -3.41 114.58 115.38 3a4g h GLU 140 Ca 0.38 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.08 3a4g h GLU 140 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 3a4g h GLU 140 CO -0.14 0.00 0.00 0.98 -1.16 0.00 0.00 179.01 178.69 3a4g n TYR 141 N -2.20 -0.97 -0.34 4.33 4.19 -0.88 -4.84 117.16 116.45 3a4g n TYR 141 Ca 0.03 0.17 0.01 0.00 3.31 0.00 0.00 57.90 61.41 3a4g n TYR 141 Cb 0.46 0.61 0.17 0.00 0.49 0.00 0.00 39.34 41.06 3a4g n TYR 141 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3a4g h ALA 142 N 0.00 1.38 0.00 2.98 0.00 -0.91 -1.80 119.26 120.91 3a4g h ALA 142 Ca 0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3a4g h ALA 142 Cb 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 3a4g h ALA 142 CO 0.00 0.53 -0.39 0.74 0.00 0.00 0.00 179.25 180.14 3a4g h PHE 143 N 1.21 0.00 0.14 0.00 0.05 -1.05 -3.29 116.94 114.00 3a4g h PHE 143 Ca 0.37 0.00 -0.22 0.00 3.82 0.00 0.00 57.97 61.95 3a4g h PHE 143 Cb -0.01 0.00 0.02 0.00 2.00 0.00 0.00 35.95 37.96 3a4g h PHE 143 CO -0.00 0.39 -1.00 1.96 -0.18 0.00 0.00 178.31 179.47 3a4g h GLN 144 N 0.00 0.30 0.26 1.51 1.08 -1.56 -3.40 115.11 113.29 3a4g h GLN 144 Ca -0.00 -0.51 0.00 0.00 -1.45 0.00 0.00 58.65 56.69 3a4g h GLN 144 Cb 0.70 0.19 -0.04 0.00 -0.05 0.00 0.00 27.48 28.28 3a4g h GLN 144 CO 0.05 1.24 -0.51 0.82 -0.95 0.00 0.00 178.83 179.48 3a4g h ILE 145 N -0.33 0.02 -0.37 2.54 2.04 -1.56 -3.05 117.51 116.81 3a4g h ILE 145 Ca -0.19 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 3a4g h ILE 145 Cb 1.70 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 3a4g h ILE 145 CO 0.13 0.00 0.18 -0.65 0.00 0.00 0.00 178.15 177.82 3a4g h PRO 146 N -0.83 0.50 0.01 2.37 0.11 -1.78 -0.49 132.00 131.88 3a4g h PRO 146 Ca -0.02 -0.05 -0.24 0.00 0.11 0.00 0.00 66.00 65.80 3a4g h PRO 146 Cb 0.79 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.81 3a4g h PRO 146 CO -0.21 0.38 -0.99 -0.24 -0.21 0.00 0.00 178.00 176.74 3a4g h VAL 147 N 0.51 1.37 -0.85 3.15 3.04 -1.77 -0.28 116.25 121.42 3a4g h VAL 147 Ca 0.13 -2.43 0.01 0.00 -1.01 0.00 0.00 66.70 63.40 3a4g h VAL 147 Cb 0.04 2.45 -0.04 0.00 -2.01 0.00 0.00 31.29 31.72 3a4g h VAL 147 CO -0.02 0.73 0.56 1.56 -1.01 0.00 0.00 177.57 179.39 3a4g h GLN 148 N 0.26 1.09 -0.50 4.17 4.20 -1.31 0.90 115.11 123.93 3a4g h GLN 148 Ca -0.10 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.50 3a4g h GLN 148 Cb 1.64 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 29.15 3a4g h GLN 148 CO 0.18 0.72 0.13 0.28 -0.67 0.00 0.00 178.83 179.47 3a4g h VAL 149 N 1.13 1.24 -0.78 -0.54 2.07 -0.94 -2.00 116.25 116.42 3a4g h VAL 149 Ca 0.32 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 3a4g h VAL 149 Cb -0.10 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 3a4g h VAL 149 CO -0.08 0.30 0.40 0.40 0.02 0.00 0.00 177.57 178.61 3a4g h ILE 150 N 0.68 1.24 -0.33 4.57 2.04 -0.51 0.64 117.51 125.85 3a4g h ILE 150 Ca 0.16 -0.64 0.06 0.00 1.00 0.00 0.00 64.86 65.44 3a4g h ILE 150 Cb 0.32 0.23 -0.06 0.00 -0.74 0.00 0.00 36.82 36.57 3a4g h ILE 150 CO 0.00 0.28 -0.02 0.00 0.00 0.00 0.00 178.15 178.41 3a4g h GLU 152 N 0.07 0.74 -0.03 0.00 4.39 -0.80 0.55 114.58 119.49 3a4g h GLU 152 Ca 0.16 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 3a4g h GLU 152 Cb 0.23 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 3a4g h GLU 152 CO -0.29 0.49 0.02 1.25 -1.16 0.00 0.00 179.01 179.32 3a4g h LEU 153 N 0.75 0.04 -0.43 1.33 5.85 -0.55 -3.13 115.31 119.17 3a4g h LEU 153 Ca 0.20 -0.08 -0.18 0.00 0.84 0.00 0.00 57.88 58.66 3a4g h LEU 153 Cb -0.08 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 3a4g h LEU 153 CO -0.04 0.11 -0.74 -0.07 -0.34 0.00 0.00 178.44 177.35 3a4g h LEU 154 N -0.03 0.36 -0.70 2.25 3.38 -1.04 0.60 115.31 120.13 3a4g h LEU 154 Ca 0.01 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3a4g h LEU 154 Cb 0.08 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3a4g h LEU 154 CO -0.00 0.98 0.00 0.61 0.09 0.00 0.00 178.44 180.12 3a4g n GLY 155 N 0.58 0.77 3.67 0.83 0.00 0.02 -2.35 105.19 108.72 3a4g n GLY 155 Ca -0.04 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 3a4g n GLY 155 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a4g s VAL 156 N -2.28 4.47 0.22 1.61 1.01 -0.24 -4.98 120.40 120.21 3a4g s VAL 156 Ca 0.00 1.77 -0.31 0.00 0.00 0.00 0.00 61.98 63.44 3a4g s VAL 156 Cb 0.00 -4.14 -0.14 0.00 0.00 0.00 0.00 36.38 32.09 3a4g s VAL 156 CO 0.00 -0.07 1.25 -2.65 0.00 0.00 0.00 175.10 173.63 3a4g n PRO 157 N 5.77 1.59 -0.03 2.72 -0.02 -1.26 -4.79 135.00 138.98 3a4g n PRO 157 Ca 0.11 0.56 0.22 0.00 -2.02 0.00 0.00 63.50 62.38 3a4g n PRO 157 Cb 0.46 -2.12 0.70 0.00 -0.02 0.00 0.00 33.50 32.53 3a4g n PRO 157 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a4g h ALA 158 N 3.53 2.55 -0.47 3.55 0.00 -1.98 0.19 119.26 126.62 3a4g h ALA 158 Ca -0.44 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.38 3a4g h ALA 158 Cb 1.31 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 3a4g h ALA 158 CO 0.71 -0.75 -0.02 0.93 0.00 0.00 0.00 179.25 180.12 3a4g h GLU 159 N 0.00 0.80 -0.00 0.00 3.07 -2.04 -3.04 114.58 113.37 3a4g h GLU 159 Ca 0.28 -0.23 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 3a4g h GLU 159 Cb 1.16 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.98 3a4g h GLU 159 CO -0.00 0.82 0.00 -0.25 -1.40 0.00 0.00 179.01 178.18 3a4g n ASP 160 N -4.20 0.26 -0.02 1.42 8.00 0.64 -4.42 116.55 118.23 3a4g n ASP 160 Ca 0.02 -1.09 -0.10 0.00 0.71 0.00 0.00 54.79 54.33 3a4g n ASP 160 Cb 0.31 -0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.33 3a4g n ASP 160 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3a4g h ARG 161 N 0.40 -0.08 -0.99 -1.24 3.08 -1.41 0.88 114.38 115.02 3a4g h ARG 161 Ca 0.00 0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.20 3a4g h ARG 161 Cb 0.09 0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.07 3a4g h ARG 161 CO 0.00 0.50 0.62 0.38 -1.07 0.00 0.00 179.97 180.40 3a4g h ASP 162 N -0.91 0.85 -0.07 7.04 -0.00 -1.78 0.86 116.42 122.41 3a4g h ASP 162 Ca -0.01 0.06 -0.00 0.00 -0.00 0.00 0.00 57.03 57.08 3a4g h ASP 162 Cb 0.61 -0.11 -0.00 0.00 -0.00 0.00 0.00 39.33 39.83 3a4g h ASP 162 CO 0.01 0.42 0.03 0.44 -0.00 0.00 0.00 179.24 180.14 3a4g h ASP 163 N 0.89 0.09 -0.30 4.15 3.32 -1.81 -1.26 116.42 121.52 3a4g h ASP 163 Ca 0.51 -0.17 0.04 0.00 0.02 0.00 0.00 57.03 57.43 3a4g h ASP 163 Cb 0.62 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.11 3a4g h ASP 163 CO -0.28 0.24 0.07 0.15 -1.72 0.00 0.00 179.24 177.70 3a4g h PHE 164 N -0.05 0.12 -0.57 4.55 3.57 0.77 -2.30 116.94 123.04 3a4g h PHE 164 Ca 0.02 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.58 3a4g h PHE 164 Cb 0.17 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.86 3a4g h PHE 164 CO -0.02 0.04 0.32 0.77 -2.23 0.00 0.00 178.31 177.19 3a4g h SER 165 N 0.19 0.48 -0.16 0.41 0.02 0.66 -1.91 113.55 113.24 3a4g h SER 165 Ca 0.14 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.16 3a4g h SER 165 Cb 0.13 -0.07 -0.06 0.00 0.14 0.00 0.00 62.40 62.53 3a4g h SER 165 CO -0.17 0.33 -0.30 0.00 -1.14 0.00 0.00 176.83 175.55 3a4g h ALA 166 N 1.29 -0.31 0.00 3.77 0.00 -0.70 -0.93 119.26 122.39 3a4g h ALA 166 Ca 0.25 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3a4g h ALA 166 Cb 0.11 0.58 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3a4g h ALA 166 CO -0.15 -0.76 0.00 0.91 0.00 0.00 0.00 179.25 179.25 3a4g n TRP 167 N -5.40 0.86 0.02 0.00 5.03 -0.92 -2.88 117.44 114.15 3a4g n TRP 167 Ca -0.03 0.30 -0.19 0.00 3.03 0.00 0.00 57.50 60.62 3a4g n TRP 167 Cb 0.32 -0.99 -0.12 0.00 -1.03 0.00 0.00 31.31 29.49 3a4g n TRP 167 CO 0.00 0.00 0.00 1.03 -0.03 0.00 0.00 177.69 178.69 3a4g h SER 168 N 0.00 0.60 -0.73 -0.99 0.87 -0.47 -3.12 113.55 109.71 3a4g h SER 168 Ca 0.00 -0.80 0.02 0.00 -1.23 0.00 0.00 61.79 59.78 3a4g h SER 168 Cb 0.50 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 62.23 3a4g h SER 168 CO 0.00 1.32 0.48 0.28 -0.53 0.00 0.00 176.83 178.39 3a4g h SER 169 N -0.05 0.80 -0.63 6.23 0.02 -1.07 -1.81 113.55 117.04 3a4g h SER 169 Ca -0.10 -0.02 0.03 0.00 -0.84 0.00 0.00 61.79 60.86 3a4g h SER 169 Cb 1.47 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.78 3a4g h SER 169 CO 0.15 0.57 0.41 0.58 -1.14 0.00 0.00 176.83 177.40 3a4g h VAL 170 N 0.94 1.10 0.00 2.27 2.07 -1.55 0.17 116.25 121.25 3a4g h VAL 170 Ca 0.28 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.48 3a4g h VAL 170 Cb -0.04 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 3a4g h VAL 170 CO -0.07 0.14 -0.26 -0.07 0.02 0.00 0.00 177.57 177.33 3a4g h LEU 171 N 0.76 0.00 -4.65 2.57 3.38 -1.28 -3.21 115.31 112.87 3a4g h LEU 171 Ca 0.25 0.00 -0.72 0.00 0.09 0.00 0.00 57.88 57.50 3a4g h LEU 171 Cb 0.05 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 40.54 3a4g h LEU 171 CO -0.07 0.26 0.96 0.52 0.09 0.00 0.00 178.44 180.20 3a4g n VAL 172 N -3.51 3.57 -3.07 1.22 0.31 0.04 -4.95 118.33 111.95 3a4g n VAL 172 Ca -0.00 -3.77 -0.16 0.00 -0.01 0.00 0.00 64.34 60.40 3a4g n VAL 172 Cb 0.42 -1.24 0.02 0.00 -0.91 0.00 0.00 33.84 32.12 3a4g n VAL 172 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3a4g n ASP 173 N -0.53 -7.10 -0.04 4.52 9.92 -1.20 -4.98 116.55 117.15 3a4g n ASP 173 Ca 0.56 0.42 -0.02 0.00 -0.53 0.00 0.00 54.79 55.21 3a4g n ASP 173 Cb 0.38 -3.93 -0.01 0.00 -0.64 0.00 0.00 41.12 36.92 3a4g n ASP 173 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3a4g n ASP 174 N -0.02 0.90 0.00 -2.24 8.00 -1.25 -5.01 116.55 116.93 3a4g n ASP 174 Ca 0.03 0.42 0.00 0.00 0.71 0.00 0.00 54.79 55.96 3a4g n ASP 174 Cb 0.48 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 40.90 3a4g n ASP 174 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3a4g n SER 175 N -3.43 1.58 -4.39 -2.24 3.41 -1.26 -5.14 113.62 102.15 3a4g n SER 175 Ca -0.04 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.27 3a4g n SER 175 Cb 0.14 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.29 3a4g n SER 175 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 3a4g n PRO 176 N 0.00 -1.80 -0.21 4.33 -0.04 -1.26 -4.90 135.00 131.12 3a4g n PRO 176 Ca 0.00 -0.50 0.03 0.00 -0.04 0.00 0.00 63.50 62.99 3a4g n PRO 176 Cb 0.00 -1.95 0.11 0.00 -0.04 0.00 0.00 33.50 31.62 3a4g n PRO 176 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3a4g n ALA 177 N -4.59 2.75 0.09 0.55 0.00 -1.26 -3.43 120.51 114.63 3a4g n ALA 177 Ca 0.03 -0.50 -0.17 0.00 0.00 0.00 0.00 53.44 52.80 3a4g n ALA 177 Cb 0.57 -1.02 -0.14 0.00 0.00 0.00 0.00 19.45 18.86 3a4g n ALA 177 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3a4g h ASP 178 N 1.21 0.47 0.09 0.00 3.32 -2.00 -3.32 116.42 116.18 3a4g h ASP 178 Ca 0.00 -0.55 -0.25 0.00 0.02 0.00 0.00 57.03 56.25 3a4g h ASP 178 Cb 0.71 -0.15 0.02 0.00 0.22 0.00 0.00 39.33 40.13 3a4g h ASP 178 CO 0.09 1.45 -1.02 0.44 -1.72 0.00 0.00 179.24 178.48 3a4g h ASP 179 N 0.08 0.74 -0.97 6.45 3.45 -1.93 -3.10 116.42 121.14 3a4g h ASP 179 Ca -0.20 -0.83 0.07 0.00 0.43 0.00 0.00 57.03 56.51 3a4g h ASP 179 Cb 2.02 -0.23 -0.07 0.00 -0.56 0.00 0.00 39.33 40.49 3a4g h ASP 179 CO 0.20 1.49 0.63 0.11 -1.57 0.00 0.00 179.24 180.09 3a4g h LYS 180 N 0.09 1.07 -0.28 3.56 1.57 -1.75 0.87 116.57 121.70 3a4g h LYS 180 Ca -0.15 -0.06 0.08 0.00 -1.87 0.00 0.00 60.65 58.64 3a4g h LYS 180 Cb 1.72 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 33.78 3a4g h LYS 180 CO 0.20 0.71 0.21 -0.97 -0.57 0.00 0.00 179.45 179.03 3a4g h ASN 181 N 1.11 0.00 0.00 0.86 -0.00 -1.64 -0.29 115.58 115.61 3a4g h ASN 181 Ca 0.42 0.00 -0.10 0.00 -0.00 0.00 0.00 56.30 56.62 3a4g h ASN 181 Cb 0.21 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 38.51 3a4g h ASN 181 CO -0.17 0.00 -1.99 0.00 -0.00 0.00 0.00 177.43 175.27 3a4g n ALA 182 N -2.56 2.35 0.15 1.57 0.00 -0.49 -4.23 120.51 117.30 3a4g n ALA 182 Ca 0.04 -0.68 0.02 0.00 0.00 0.00 0.00 53.44 52.82 3a4g n ALA 182 Cb 0.37 -0.49 0.36 0.00 0.00 0.00 0.00 19.45 19.69 3a4g n ALA 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a4g h ALA 183 N 1.48 1.42 -0.80 0.00 0.00 0.15 -1.81 119.26 119.70 3a4g h ALA 183 Ca -0.15 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.49 3a4g h ALA 183 Cb 1.26 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 3a4g h ALA 183 CO 0.01 0.42 0.53 0.52 0.00 0.00 0.00 179.25 180.72 3a4g h MET 184 N 0.12 1.02 -0.28 0.00 2.07 -1.27 -0.79 114.93 115.81 3a4g h MET 184 Ca 0.02 -0.06 -0.10 0.00 -2.07 0.00 0.00 59.70 57.49 3a4g h MET 184 Cb 0.54 -0.23 -0.01 0.00 -1.87 0.00 0.00 31.60 30.03 3a4g h MET 184 CO 0.04 0.68 -0.23 0.78 1.07 0.00 0.00 176.91 179.25 3a4g h GLY 185 N 1.05 0.58 0.62 8.32 0.00 -1.55 0.30 103.07 112.40 3a4g h GLY 185 Ca 0.30 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 3a4g h GLY 185 CO -0.08 0.43 -0.07 0.50 0.00 0.00 0.00 176.54 177.32 3a4g h LYS 186 N 0.48 -0.18 -0.59 4.80 1.79 -1.08 -0.30 116.57 121.49 3a4g h LYS 186 Ca 0.07 0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 58.50 3a4g h LYS 186 Cb 0.66 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.33 3a4g h LYS 186 CO 0.05 0.17 0.15 -0.07 -1.08 0.00 0.00 179.45 178.67 3a4g h LEU 187 N -0.57 0.85 -0.10 2.94 3.38 -1.06 0.21 115.31 120.96 3a4g h LEU 187 Ca -0.02 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 3a4g h LEU 187 Cb 0.44 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3a4g h LEU 187 CO 0.03 0.83 0.05 -0.74 0.09 0.00 0.00 178.44 178.70 3a4g h HIS 188 N 0.88 0.14 -0.23 1.13 2.76 -0.39 0.43 115.15 119.87 3a4g h HIS 188 Ca 0.19 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.35 3a4g h HIS 188 Cb 0.31 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.21 3a4g h HIS 188 CO 0.02 0.21 0.12 0.78 -1.30 0.00 0.00 177.93 177.76 3a4g h GLY 189 N 0.03 0.35 0.81 5.26 0.00 -0.83 -0.63 103.07 108.07 3a4g h GLY 189 Ca 0.03 -0.16 0.02 0.00 0.00 0.00 0.00 47.33 47.22 3a4g h GLY 189 CO -0.00 0.16 -0.05 -1.82 0.00 0.00 0.00 176.54 174.82 3a4g h TYR 190 N 0.26 -0.12 -0.60 5.60 3.20 -0.47 -1.86 116.97 122.98 3a4g h TYR 190 Ca 0.08 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 3a4g h TYR 190 Cb 0.08 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 3a4g h TYR 190 CO -0.03 -0.08 0.23 -0.07 -1.64 0.00 0.00 178.16 176.56 3a4g h LEU 191 N -0.07 0.85 -0.68 2.82 3.38 -0.87 -0.43 115.31 120.30 3a4g h LEU 191 Ca 0.04 -0.18 0.15 0.00 0.09 0.00 0.00 57.88 57.97 3a4g h LEU 191 Cb 0.12 -0.22 -0.12 0.00 0.09 0.00 0.00 40.66 40.53 3a4g h LEU 191 CO -0.08 0.80 0.00 -1.28 0.09 0.00 0.00 178.44 177.97 3a4g h SER 192 N 0.85 -0.31 0.08 -0.43 0.87 -0.95 0.61 113.55 114.27 3a4g h SER 192 Ca 0.20 0.17 -0.20 0.00 -1.23 0.00 0.00 61.79 60.73 3a4g h SER 192 Cb 0.23 0.30 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 3a4g h SER 192 CO -0.01 -0.14 -0.76 0.44 -0.53 0.00 0.00 176.83 175.83 3a4g h ASP 193 N 0.11 0.69 -0.38 6.23 3.32 -0.85 -3.21 116.42 122.34 3a4g h ASP 193 Ca 0.37 -0.46 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 3a4g h ASP 193 Cb 0.61 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 3a4g h ASP 193 CO -0.59 1.23 0.18 0.25 -1.72 0.00 0.00 179.24 178.58 3a4g h LEU 194 N 0.40 0.50 -1.11 1.55 6.46 -0.47 -2.35 115.31 120.28 3a4g h LEU 194 Ca -0.04 -0.13 0.19 0.00 -0.12 0.00 0.00 57.88 57.77 3a4g h LEU 194 Cb 1.36 -0.13 -0.10 0.00 -0.73 0.00 0.00 40.66 41.06 3a4g h LEU 194 CO 0.14 0.50 0.61 -0.07 -0.62 0.00 0.00 178.44 179.00 3a4g h LEU 195 N 0.47 0.72 -0.75 2.25 -0.00 -0.94 0.94 115.31 118.00 3a4g h LEU 195 Ca 0.13 0.08 -0.02 0.00 -0.00 0.00 0.00 57.88 58.07 3a4g h LEU 195 Cb 0.13 -0.05 -0.03 0.00 -0.00 0.00 0.00 40.66 40.71 3a4g h LEU 195 CO -0.02 0.27 0.38 -0.33 -0.00 0.00 0.00 178.44 178.74 3a4g h GLU 196 N 0.71 1.07 -0.05 1.13 4.39 -1.44 -1.20 114.58 119.18 3a4g h GLU 196 Ca 0.55 -0.15 -0.10 0.00 0.34 0.00 0.00 59.36 60.01 3a4g h GLU 196 Cb 0.94 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.38 3a4g h GLU 196 CO -0.33 0.82 -0.44 0.00 -1.16 0.00 0.00 179.01 177.90 3a4g h ARG 197 N 1.05 0.11 -0.20 2.33 3.08 -0.42 -2.80 114.38 117.52 3a4g h ARG 197 Ca 0.26 -0.05 -0.20 0.00 0.07 0.00 0.00 59.98 60.06 3a4g h ARG 197 Cb 0.09 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3a4g h ARG 197 CO -0.04 0.53 -0.67 0.87 -1.07 0.00 0.00 179.97 179.59 3a4g h LYS 198 N 0.09 0.78 -0.91 0.04 1.79 -0.81 -0.55 116.57 117.00 3a4g h LYS 198 Ca 0.01 -0.57 0.04 0.00 -2.18 0.00 0.00 60.65 57.95 3a4g h LYS 198 Cb 0.81 0.10 -0.06 0.00 -1.58 0.00 0.00 32.23 31.50 3a4g h LYS 198 CO 0.06 1.19 0.59 -0.09 -1.08 0.00 0.00 179.45 180.12 3a4g h ARG 199 N 0.57 1.08 0.03 3.15 2.43 -1.02 -1.81 114.38 118.81 3a4g h ARG 199 Ca -0.02 -0.07 -0.22 0.00 -0.81 0.00 0.00 59.98 58.86 3a4g h ARG 199 Cb 1.28 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.57 3a4g h ARG 199 CO 0.14 0.72 -1.02 1.15 -1.51 0.00 0.00 179.97 179.45 3a4g h THR 200 N 1.12 1.60 -2.63 0.20 2.02 -1.44 -3.40 112.91 110.39 3a4g h THR 200 Ca 0.38 -3.10 -0.60 0.00 0.77 0.00 0.00 66.41 63.86 3a4g h THR 200 Cb 0.06 2.76 -0.39 0.00 -1.74 0.00 0.00 68.15 68.84 3a4g h THR 200 CO -0.14 0.89 -0.83 -0.70 0.37 0.00 0.00 175.52 175.12 3a4g s GLU 201 N -2.85 1.48 0.36 6.66 2.12 -0.22 -5.11 118.70 121.13 3a4g s GLU 201 Ca -0.01 -2.57 -0.27 0.00 0.36 0.00 0.00 54.97 52.48 3a4g s GLU 201 Cb 0.09 -2.15 -0.12 0.00 0.26 0.00 0.00 34.13 32.21 3a4g s GLU 201 CO 0.84 -1.35 1.19 -2.30 -0.54 0.00 0.00 175.26 173.10 3a4g n PRO 202 N 2.52 1.83 -3.55 4.30 -0.02 -0.74 -4.44 135.00 134.90 3a4g n PRO 202 Ca 0.26 0.65 -0.15 0.00 -2.02 0.00 0.00 63.50 62.24 3a4g n PRO 202 Cb 0.43 -2.20 -0.05 0.00 -0.02 0.00 0.00 33.50 31.66 3a4g n PRO 202 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3a4g n ASP 203 N 0.72 0.17 -0.17 2.55 3.85 -1.26 -5.05 116.55 117.36 3a4g n ASP 203 Ca 0.07 -2.47 0.15 0.00 -0.71 0.00 0.00 54.79 51.82 3a4g n ASP 203 Cb 0.36 0.95 0.74 0.00 -1.35 0.00 0.00 41.12 41.82 3a4g n ASP 203 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 3a4g n ASP 204 N -1.95 0.55 -4.41 -1.12 10.43 -1.26 -4.65 116.55 114.14 3a4g n ASP 204 Ca 0.02 -1.02 -0.23 0.00 2.57 0.00 0.00 54.79 56.13 3a4g n ASP 204 Cb 0.41 -0.03 0.13 0.00 1.84 0.00 0.00 41.12 43.47 3a4g n ASP 204 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3a4g n ALA 205 N -0.65 0.00 -0.04 2.24 0.00 -1.26 -4.92 120.51 115.88 3a4g n ALA 205 Ca 0.20 -1.89 -0.14 0.00 0.00 0.00 0.00 53.44 51.61 3a4g n ALA 205 Cb 0.23 0.27 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 3a4g n ALA 205 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3a4g h LEU 206 N 0.00 0.87 -0.63 0.00 5.85 -0.88 -2.45 115.31 118.07 3a4g h LEU 206 Ca -0.33 -0.51 -0.01 0.00 0.84 0.00 0.00 57.88 57.87 3a4g h LEU 206 Cb 1.19 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 3a4g h LEU 206 CO 0.34 1.29 0.35 -0.07 -0.34 0.00 0.00 178.44 180.01 3a4g h LEU 207 N 0.56 0.77 -0.14 2.25 3.38 -1.70 0.13 115.31 120.56 3a4g h LEU 207 Ca -0.01 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.88 3a4g h LEU 207 Cb 1.24 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 3a4g h LEU 207 CO 0.13 0.63 0.06 -1.28 0.09 0.00 0.00 178.44 178.07 3a4g h SER 208 N 0.85 0.08 -0.52 -0.43 0.87 -1.79 -2.73 113.55 109.88 3a4g h SER 208 Ca 0.22 0.01 0.07 0.00 -1.23 0.00 0.00 61.79 60.86 3a4g h SER 208 Cb 0.02 -0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.92 3a4g h SER 208 CO -0.04 0.07 0.20 -1.28 -0.53 0.00 0.00 176.83 175.25 3a4g h SER 209 N 0.13 0.22 0.23 6.23 0.87 -0.92 -1.72 113.55 118.59 3a4g h SER 209 Ca 0.06 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 3a4g h SER 209 Cb 0.02 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 3a4g h SER 209 CO -0.05 0.15 0.00 -0.07 -0.53 0.00 0.00 176.83 176.33 3a4g h LEU 210 N 0.39 0.00 0.00 2.23 3.38 -0.68 -2.14 115.31 118.49 3a4g h LEU 210 Ca 0.25 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.05 3a4g h LEU 210 Cb 0.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3a4g h LEU 210 CO -0.24 0.00 -0.80 -0.07 0.09 0.00 0.00 178.44 177.42 3a4g h LEU 211 N 0.00 0.00 -0.27 1.67 3.38 -1.14 -3.27 115.31 115.68 3a4g h LEU 211 Ca 0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 3a4g h LEU 211 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3a4g h LEU 211 CO 0.00 0.79 -0.83 0.00 0.09 0.00 0.00 178.44 178.49 3a4g h ALA 212 N 1.21 0.46 -1.09 1.53 0.00 -1.38 -3.46 119.26 116.53 3a4g h ALA 212 Ca -0.01 -0.65 -0.81 0.00 0.00 0.00 0.00 54.91 53.44 3a4g h ALA 212 Cb 1.61 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 19.40 3a4g h ALA 212 CO 0.10 0.77 0.40 0.28 0.00 0.00 0.00 179.25 180.80 3a4g n VAL 213 N -3.81 0.02 -3.15 0.00 0.31 -1.16 -4.92 118.33 105.61 3a4g n VAL 213 Ca -0.06 -0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.31 3a4g n VAL 213 Cb 0.77 -0.35 -0.01 0.00 -0.91 0.00 0.00 33.84 33.34 3a4g n VAL 213 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3a4g s SER 214 N 1.45 -1.24 0.98 4.52 0.01 -1.21 -4.33 113.70 113.88 3a4g s SER 214 Ca 0.96 0.61 -0.14 0.00 1.31 0.00 0.00 55.95 58.69 3a4g s SER 214 Cb -1.32 1.98 0.18 0.00 0.21 0.00 0.00 66.02 67.06 3a4g s SER 214 CO 0.66 -0.23 1.16 1.51 0.41 0.00 0.00 173.24 176.75 3a4g s ASP 215 N 2.87 2.93 0.48 2.44 1.47 -0.62 -4.83 116.67 121.41 3a4g s ASP 215 Ca 0.16 0.81 0.21 0.00 1.18 0.00 0.00 52.55 54.91 3a4g s ASP 215 Cb -0.13 -1.25 1.21 0.00 -0.34 0.00 0.00 42.92 42.41 3a4g s ASP 215 CO -0.20 -2.90 2.01 1.05 0.68 0.00 0.00 175.17 175.81 3a4g h GLU 216 N -1.74 0.00 -0.11 2.11 9.09 -2.03 1.21 114.58 123.11 3a4g h GLU 216 Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.92 3a4g h GLU 216 Cb 1.31 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.41 3a4g h GLU 216 CO 0.53 0.17 0.00 -0.25 0.05 0.00 0.00 179.01 179.51 3a4g n ASP 217 N -3.92 0.11 0.00 3.06 8.00 -1.26 -4.86 116.55 117.68 3a4g n ASP 217 Ca -0.02 -1.91 0.00 0.00 0.71 0.00 0.00 54.79 53.57 3a4g n ASP 217 Cb 0.26 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 3a4g n ASP 217 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a4g n GLY 218 N 0.40 1.52 3.51 0.44 0.00 0.42 -5.01 105.19 106.46 3a4g n GLY 218 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3a4g n GLY 218 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3a4g n ASP 219 N 0.00 -0.66 -3.62 1.61 2.03 -1.22 -4.58 116.55 110.10 3a4g n ASP 219 Ca 0.00 0.67 -0.07 0.00 0.52 0.00 0.00 54.79 55.91 3a4g n ASP 219 Cb 0.00 -1.25 -0.02 0.00 -0.72 0.00 0.00 41.12 39.13 3a4g n ASP 219 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3a4g s ARG 220 N -2.63 1.20 0.04 -0.67 1.70 -1.26 -1.59 118.95 115.74 3a4g s ARG 220 Ca 0.69 -0.57 -0.30 0.00 -0.47 0.00 0.00 55.73 55.08 3a4g s ARG 220 Cb -0.39 0.47 -0.05 0.00 -0.57 0.00 0.00 34.95 34.42 3a4g s ARG 220 CO 0.54 -0.54 1.21 -0.51 -1.08 0.00 0.00 175.30 174.92 3a4g s LEU 221 N -2.75 4.35 0.97 -1.89 1.43 -1.26 -5.04 118.68 114.49 3a4g s LEU 221 Ca 0.07 1.98 -0.11 0.00 -1.03 0.00 0.00 54.13 55.05 3a4g s LEU 221 Cb -0.02 -3.57 0.18 0.00 0.03 0.00 0.00 46.19 42.80 3a4g s LEU 221 CO -0.04 -0.51 1.10 -0.94 0.23 0.00 0.00 176.35 176.19 3a4g s SER 222 N 1.19 2.55 0.27 2.29 1.04 -1.26 -4.73 113.70 115.05 3a4g s SER 222 Ca 0.58 1.85 -0.00 0.00 0.48 0.00 0.00 55.95 58.86 3a4g s SER 222 Cb -0.29 -2.42 0.50 0.00 0.10 0.00 0.00 66.02 63.91 3a4g s SER 222 CO 0.28 -3.28 1.84 -0.61 0.98 0.00 0.00 173.24 172.45 3a4g h GLN 223 N -1.99 0.97 -0.35 4.02 -0.00 -2.00 -0.37 115.11 115.39 3a4g h GLN 223 Ca -0.50 -0.06 -0.12 0.00 -0.00 0.00 0.00 58.65 57.98 3a4g h GLN 223 Cb 1.29 -0.22 -0.01 0.00 0.00 0.00 0.00 27.48 28.54 3a4g h GLN 223 CO 0.47 0.64 -0.25 0.93 0.00 0.00 0.00 178.83 180.62 3a4g h GLU 224 N 1.00 0.79 -0.64 1.69 3.07 -2.00 -2.80 114.58 115.69 3a4g h GLU 224 Ca 0.47 -0.38 -0.04 0.00 -0.50 0.00 0.00 59.36 58.92 3a4g h GLU 224 Cb 0.41 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.29 3a4g h GLU 224 CO -0.25 1.01 0.25 0.93 -1.40 0.00 0.00 179.01 179.55 3a4g h GLU 225 N 0.58 0.94 -0.13 2.33 5.08 -1.74 -1.88 114.58 119.76 3a4g h GLU 225 Ca 0.07 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 3a4g h GLU 225 Cb 0.81 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 3a4g h GLU 225 CO 0.07 0.77 0.05 -0.07 -1.00 0.00 0.00 179.01 178.83 3a4g h LEU 226 N 0.92 0.17 -0.45 1.33 3.38 -0.91 0.19 115.31 119.95 3a4g h LEU 226 Ca 0.22 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 3a4g h LEU 226 Cb 0.18 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3a4g h LEU 226 CO -0.02 0.27 0.01 0.58 0.09 0.00 0.00 178.44 179.38 3a4g h VAL 227 N 0.06 1.26 -0.79 1.22 2.07 -1.45 -1.33 116.25 117.29 3a4g h VAL 227 Ca 0.04 -1.02 0.02 0.00 0.82 0.00 0.00 66.70 66.56 3a4g h VAL 227 Cb 0.15 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 3a4g h VAL 227 CO -0.00 0.35 0.52 0.00 0.02 0.00 0.00 177.57 178.46 3a4g h ALA 228 N 0.91 1.02 -0.48 1.67 0.00 -1.21 -1.05 119.26 120.12 3a4g h ALA 228 Ca 0.13 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3a4g h ALA 228 Cb 0.48 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3a4g h ALA 228 CO 0.02 0.39 0.15 1.98 0.00 0.00 0.00 179.25 181.79 3a4g h MET 229 N 1.05 0.74 -0.48 0.00 -1.53 -0.74 0.61 114.93 114.58 3a4g h MET 229 Ca 0.30 -0.16 -0.01 0.00 -3.44 0.00 0.00 59.70 56.39 3a4g h MET 229 Cb -0.08 -0.11 -0.02 0.00 -0.55 0.00 0.00 31.60 30.84 3a4g h MET 229 CO -0.08 0.70 0.25 0.00 0.14 0.00 0.00 176.91 177.92 3a4g h ALA 230 N 1.01 0.62 -0.64 0.39 0.00 -0.96 -0.84 119.26 118.84 3a4g h ALA 230 Ca 0.15 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3a4g h ALA 230 Cb 0.27 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3a4g h ALA 230 CO -0.01 0.15 0.27 0.52 0.00 0.00 0.00 179.25 180.18 3a4g h MET 231 N 0.63 0.95 -0.48 0.00 2.86 -1.05 -2.11 114.93 115.73 3a4g h MET 231 Ca 0.17 -0.16 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 3a4g h MET 231 Cb 0.07 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.53 3a4g h MET 231 CO -0.03 0.79 0.24 1.25 1.06 0.00 0.00 176.91 180.22 3a4g h LEU 232 N 0.89 0.34 -0.78 1.22 5.85 -0.54 -0.79 115.31 121.50 3a4g h LEU 232 Ca 0.21 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 3a4g h LEU 232 Cb 0.18 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 3a4g h LEU 232 CO -0.02 0.24 0.46 -0.07 -0.34 0.00 0.00 178.44 178.71 3a4g h LEU 233 N 0.47 0.94 0.17 2.25 3.38 -0.86 0.32 115.31 121.99 3a4g h LEU 233 Ca 0.21 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3a4g h LEU 233 Cb 0.12 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3a4g h LEU 233 CO -0.15 0.74 -0.08 0.25 0.09 0.00 0.00 178.44 179.28 3a4g h LEU 234 N 1.07 -0.20 -0.27 1.67 5.85 -1.07 -0.88 115.31 121.48 3a4g h LEU 234 Ca 0.28 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.92 3a4g h LEU 234 Cb -0.03 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3a4g h LEU 234 CO -0.05 -0.14 -0.18 0.40 -0.34 0.00 0.00 178.44 178.13 3a4g h ILE 235 N -0.23 1.30 0.00 4.05 2.04 -0.84 -2.08 117.51 121.76 3a4g h ILE 235 Ca -0.02 -1.30 -0.04 0.00 1.00 0.00 0.00 64.86 64.50 3a4g h ILE 235 Cb 0.18 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 3a4g h ILE 235 CO 0.04 0.41 -0.20 0.00 0.00 0.00 0.00 178.15 178.40 3a4g h ALA 236 N 0.72 1.07 -0.00 1.87 0.00 -0.36 -3.32 119.26 119.24 3a4g h ALA 236 Ca 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3a4g h ALA 236 Cb 0.71 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3a4g h ALA 236 CO 0.05 0.25 -0.56 0.41 0.00 0.00 0.00 179.25 179.40 3a4g n GLY 237 N -0.02 -0.26 0.00 0.00 0.00 -0.34 -4.50 105.19 100.07 3a4g n GLY 237 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3a4g n GLY 237 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3a4g n HIS 238 N -0.95 0.00 -0.37 1.61 -0.00 -0.80 -4.01 115.22 110.70 3a4g n HIS 238 Ca 0.04 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.76 3a4g n HIS 238 Cb 0.25 -0.12 0.15 0.00 -0.00 0.00 0.00 29.99 30.27 3a4g n HIS 238 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.34 177.83 3a4g h GLU 239 N 0.00 1.20 -0.07 1.57 4.81 -1.84 -1.90 114.58 118.35 3a4g h GLU 239 Ca 0.00 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.19 3a4g h GLU 239 Cb 0.00 -0.27 -0.04 0.00 0.63 0.00 0.00 28.75 29.06 3a4g h GLU 239 CO 0.00 0.80 -0.19 1.79 -0.73 0.00 0.00 179.01 180.68 3a4g h THR 240 N 1.24 0.53 -0.45 0.32 1.35 -1.82 -1.77 112.91 112.31 3a4g h THR 240 Ca 0.40 0.00 -0.12 0.00 -0.55 0.00 0.00 66.41 66.15 3a4g h THR 240 Cb 0.03 0.53 -0.02 0.00 -1.73 0.00 0.00 68.15 66.97 3a4g h THR 240 CO -0.13 0.00 -0.18 0.74 -0.25 0.00 0.00 175.52 175.70 3a4g h THR 241 N -0.27 1.27 -0.54 6.82 2.02 -1.56 -1.14 112.91 119.51 3a4g h THR 241 Ca 0.08 -1.31 0.11 0.00 0.77 0.00 0.00 66.41 66.06 3a4g h THR 241 Cb 0.38 1.11 -0.10 0.00 -1.74 0.00 0.00 68.15 67.81 3a4g h THR 241 CO -0.23 0.45 -0.07 0.58 0.37 0.00 0.00 175.52 176.62 3a4g h VAL 242 N 0.77 0.51 0.00 3.16 2.07 -1.10 -1.42 116.25 120.25 3a4g h VAL 242 Ca 0.11 -0.02 -0.10 0.00 0.82 0.00 0.00 66.70 67.52 3a4g h VAL 242 Cb 0.71 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3a4g h VAL 242 CO 0.05 0.01 -0.47 0.78 0.02 0.00 0.00 177.57 177.97 3a4g h ASN 243 N 0.05 0.00 -0.38 0.57 2.35 -0.80 0.07 115.58 117.44 3a4g h ASN 243 Ca 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 3a4g h ASN 243 Cb 0.42 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.77 3a4g h ASN 243 CO -0.51 0.47 0.25 0.25 -1.65 0.00 0.00 177.43 176.24 3a4g h LEU 244 N 0.00 0.44 0.09 1.61 5.85 -0.60 0.29 115.31 122.99 3a4g h LEU 244 Ca -0.00 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 3a4g h LEU 244 Cb 1.12 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.04 3a4g h LEU 244 CO 0.06 0.32 -0.04 0.40 -0.34 0.00 0.00 178.44 178.84 3a4g h ILE 245 N 0.52 1.03 0.20 4.05 2.04 -0.89 -0.12 117.51 124.34 3a4g h ILE 245 Ca 0.14 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 3a4g h ILE 245 Cb -0.06 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 3a4g h ILE 245 CO -0.03 0.10 -0.10 1.23 0.00 0.00 0.00 178.15 179.36 3a4g h GLY 246 N -0.31 -0.28 1.17 5.37 0.00 -0.96 -0.65 103.07 107.43 3a4g h GLY 246 Ca -0.01 0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.37 3a4g h GLY 246 CO 0.02 -0.10 0.22 3.43 0.00 0.00 0.00 176.54 180.11 3a4g h ASN 247 N -0.41 0.97 -0.38 0.19 2.35 -0.43 -0.95 115.58 116.92 3a4g h ASN 247 Ca -0.03 -0.17 -0.07 0.00 -0.55 0.00 0.00 56.30 55.49 3a4g h ASN 247 Cb 0.32 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 3a4g h ASN 247 CO 0.04 0.89 -0.02 1.23 -1.65 0.00 0.00 177.43 177.93 3a4g h GLY 248 N 1.07 0.74 0.96 2.83 0.00 -0.91 -0.72 103.07 107.04 3a4g h GLY 248 Ca 0.22 -0.56 0.01 0.00 0.00 0.00 0.00 47.33 47.00 3a4g h GLY 248 CO -0.01 0.51 0.09 -2.08 0.00 0.00 0.00 176.54 175.05 3a4g h VAL 249 N 0.50 1.01 -0.80 4.60 2.07 -0.98 -2.25 116.25 120.40 3a4g h VAL 249 Ca 0.11 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.61 3a4g h VAL 249 Cb 0.50 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 3a4g h VAL 249 CO 0.02 0.03 0.50 0.25 0.02 0.00 0.00 177.57 178.40 3a4g h LEU 250 N 0.19 0.81 -0.66 2.57 5.85 -1.04 -0.46 115.31 122.57 3a4g h LEU 250 Ca 0.06 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.87 3a4g h LEU 250 Cb -0.00 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 40.79 3a4g h LEU 250 CO -0.03 0.54 0.31 0.00 -0.34 0.00 0.00 178.44 178.92 3a4g h ALA 251 N 1.36 0.88 -0.30 1.25 0.00 -0.72 -0.60 119.26 121.13 3a4g h ALA 251 Ca 0.33 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.21 3a4g h ALA 251 Cb 0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3a4g h ALA 251 CO -0.14 -0.09 -0.18 -0.07 0.00 0.00 0.00 179.25 178.77 3a4g h LEU 252 N 0.54 0.68 -1.95 0.00 3.38 -0.81 -2.37 115.31 114.78 3a4g h LEU 252 Ca 0.32 -0.42 0.02 0.00 0.09 0.00 0.00 57.88 57.89 3a4g h LEU 252 Cb 0.34 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3a4g h LEU 252 CO -0.26 0.96 0.08 -0.07 0.09 0.00 0.00 178.44 179.23 3a4g h LEU 253 N 0.41 0.06 -1.16 1.67 3.38 -0.61 -2.76 115.31 116.30 3a4g h LEU 253 Ca 0.06 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3a4g h LEU 253 Cb 0.72 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3a4g h LEU 253 CO 0.05 0.04 -0.27 0.35 0.09 0.00 0.00 178.44 178.70 3a4g n THR 254 N -4.52 0.00 -3.50 0.22 -2.24 -0.28 -4.63 114.28 99.34 3a4g n THR 254 Ca -0.01 -0.30 -0.27 0.00 -2.27 0.00 0.00 64.05 61.20 3a4g n THR 254 Cb 0.15 1.11 -0.10 0.00 -2.10 0.00 0.00 70.33 69.38 3a4g n THR 254 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3a4g n HIS 255 N 0.25 0.45 -0.30 4.78 8.25 -0.90 -4.99 115.22 122.76 3a4g n HIS 255 Ca 0.12 -3.64 0.21 0.00 -0.26 0.00 0.00 57.72 54.15 3a4g n HIS 255 Cb 0.47 -0.08 0.50 0.00 1.12 0.00 0.00 29.99 32.00 3a4g n HIS 255 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3a4g h PRO 256 N 5.30 0.41 0.14 -0.41 0.11 -1.82 -1.06 132.00 134.66 3a4g h PRO 256 Ca 0.21 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.29 3a4g h PRO 256 Cb 0.85 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.87 3a4g h PRO 256 CO 0.49 0.27 -0.07 0.38 -0.21 0.00 0.00 178.00 178.87 3a4g h ASP 257 N 0.42 -0.16 -0.34 -2.05 -0.00 -1.94 -0.69 116.42 111.67 3a4g h ASP 257 Ca 0.55 -0.05 -0.09 0.00 -0.00 0.00 0.00 57.03 57.45 3a4g h ASP 257 Cb 1.36 0.04 -0.02 0.00 -0.00 0.00 0.00 39.33 40.71 3a4g h ASP 257 CO -0.26 -0.05 -0.09 1.56 -0.00 0.00 0.00 179.24 180.40 3a4g h GLN 258 N -0.24 0.76 -0.86 4.15 1.08 -1.67 -2.13 115.11 116.19 3a4g h GLN 258 Ca -0.02 -0.24 -0.02 0.00 -1.45 0.00 0.00 58.65 56.92 3a4g h GLN 258 Cb 0.19 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.51 3a4g h GLN 258 CO 0.03 0.83 0.46 -0.09 -0.95 0.00 0.00 178.83 179.11 3a4g h ARG 259 N 0.69 1.20 -0.52 1.46 2.43 -1.11 -1.97 114.38 116.56 3a4g h ARG 259 Ca 0.12 -0.14 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 3a4g h ARG 259 Cb 0.55 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 3a4g h ARG 259 CO 0.03 0.89 0.17 -0.22 -1.51 0.00 0.00 179.97 179.33 3a4g h LYS 260 N 1.20 0.81 -0.55 0.20 1.63 -0.73 -1.91 116.57 117.22 3a4g h LYS 260 Ca 0.30 -0.17 0.05 0.00 -0.85 0.00 0.00 60.65 59.98 3a4g h LYS 260 Cb 0.04 -0.12 -0.05 0.00 -0.60 0.00 0.00 32.23 31.50 3a4g h LYS 260 CO -0.05 0.74 0.27 -0.07 -3.45 0.00 0.00 179.45 176.90 3a4g h LEU 261 N 0.71 0.38 -0.55 5.20 3.38 -1.04 -0.34 115.31 123.05 3a4g h LEU 261 Ca 0.17 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 3a4g h LEU 261 Cb 0.27 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3a4g h LEU 261 CO -0.01 0.26 0.07 0.25 0.09 0.00 0.00 178.44 179.10 3a4g h LEU 262 N 0.52 0.89 -0.63 1.67 5.85 -1.22 -0.81 115.31 121.58 3a4g h LEU 262 Ca 0.25 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.71 3a4g h LEU 262 Cb 0.17 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 3a4g h LEU 262 CO -0.18 0.94 0.41 0.00 -0.34 0.00 0.00 178.44 179.27 3a4g h ALA 263 N 0.99 0.81 -0.09 1.25 0.00 -0.85 -0.99 119.26 120.37 3a4g h ALA 263 Ca 0.17 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 3a4g h ALA 263 Cb 0.44 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3a4g h ALA 263 CO 0.01 0.20 -0.59 0.93 0.00 0.00 0.00 179.25 179.80 3a4g h GLU 264 N 0.82 0.29 -2.64 0.00 5.08 -0.90 -3.38 114.58 113.85 3a4g h GLU 264 Ca 0.24 -0.20 -0.60 0.00 -1.00 0.00 0.00 59.36 57.81 3a4g h GLU 264 Cb -0.05 0.03 -0.39 0.00 0.50 0.00 0.00 28.75 28.83 3a4g h GLU 264 CO -0.07 0.80 -0.84 0.34 -1.00 0.00 0.00 179.01 178.23 3a4g s ASP 265 N -6.90 2.67 0.59 1.42 2.15 -0.32 -4.99 116.67 111.28 3a4g s ASP 265 Ca -0.05 -2.95 0.29 0.00 0.43 0.00 0.00 52.55 50.27 3a4g s ASP 265 Cb 0.12 -0.73 1.55 0.00 -0.30 0.00 0.00 42.92 43.56 3a4g s ASP 265 CO 0.80 -0.20 1.98 -0.65 -0.17 0.00 0.00 175.17 176.94 3a4g h PRO 266 N 6.06 0.00 0.00 4.34 0.11 -1.39 -1.30 132.00 139.82 3a4g h PRO 266 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3a4g h PRO 266 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3a4g h PRO 266 CO 0.43 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.09 3a4g n SER 267 N -3.75 0.54 0.00 -2.05 3.41 -1.26 -2.06 113.62 108.45 3a4g n SER 267 Ca 0.05 0.68 0.09 0.00 -0.26 0.00 0.00 58.87 59.44 3a4g n SER 267 Cb 0.52 -0.78 0.46 0.00 -0.26 0.00 0.00 64.21 64.15 3a4g n SER 267 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3a4g n LEU 268 N -2.15 0.00 -0.36 1.04 4.77 -0.49 -4.03 117.00 115.78 3a4g n LEU 268 Ca 0.01 0.24 -0.00 0.00 -0.03 0.00 0.00 56.01 56.22 3a4g n LEU 268 Cb 0.13 -0.24 0.13 0.00 -2.33 0.00 0.00 43.42 41.12 3a4g n LEU 268 CO 0.14 -0.10 1.26 -0.29 -1.33 0.00 0.00 177.39 177.07 3a4g h ILE 269 N 0.00 1.16 -0.09 -0.08 6.09 -1.64 0.28 117.51 123.23 3a4g h ILE 269 Ca 0.00 -0.42 0.01 0.00 -1.37 0.00 0.00 64.86 63.08 3a4g h ILE 269 Cb 0.14 -0.15 -0.01 0.00 0.47 0.00 0.00 36.82 37.27 3a4g h ILE 269 CO 0.00 0.22 0.04 -1.28 -3.07 0.00 0.00 178.15 174.06 3a4g h SER 270 N 1.21 0.05 -0.87 2.19 0.87 -1.86 0.47 113.55 115.61 3a4g h SER 270 Ca 0.38 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.93 3a4g h SER 270 Cb 0.00 -0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.92 3a4g h SER 270 CO -0.12 0.04 0.47 -1.28 -0.53 0.00 0.00 176.83 175.41 3a4g h SER 271 N 0.08 1.09 -0.32 6.23 0.87 -1.69 -2.70 113.55 117.11 3a4g h SER 271 Ca 0.04 -0.10 0.03 0.00 -1.23 0.00 0.00 61.79 60.53 3a4g h SER 271 Cb 0.01 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 61.66 3a4g h SER 271 CO -0.03 0.88 0.12 0.00 -0.53 0.00 0.00 176.83 177.27 3a4g h ALA 272 N 1.25 0.37 -0.65 6.23 0.00 -0.10 -1.64 119.26 124.72 3a4g h ALA 272 Ca 0.30 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 3a4g h ALA 272 Cb 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3a4g h ALA 272 CO -0.05 -0.27 0.38 0.28 0.00 0.00 0.00 179.25 179.59 3a4g h VAL 273 N 0.27 1.19 -0.64 0.00 2.07 -0.68 0.72 116.25 119.18 3a4g h VAL 273 Ca 0.14 -0.44 0.04 0.00 0.82 0.00 0.00 66.70 67.26 3a4g h VAL 273 Cb 0.10 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.14 3a4g h VAL 273 CO -0.13 0.20 0.37 -0.33 0.02 0.00 0.00 177.57 177.70 3a4g h GLU 274 N 0.88 0.70 -0.36 1.57 4.39 -1.21 -1.57 114.58 118.98 3a4g h GLU 274 Ca 0.23 -0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.79 3a4g h GLU 274 Cb -0.01 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.47 3a4g h GLU 274 CO -0.04 0.46 -0.19 1.49 -1.16 0.00 0.00 179.01 179.57 3a4g h GLU 275 N 0.72 0.68 -0.61 2.33 4.57 -0.61 -1.99 114.58 119.66 3a4g h GLU 275 Ca 0.27 -0.25 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 3a4g h GLU 275 Cb 0.09 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 3a4g h GLU 275 CO -0.13 0.83 0.31 0.74 -1.18 0.00 0.00 179.01 179.57 3a4g h PHE 276 N 0.60 0.86 -0.42 0.92 0.05 -0.54 0.13 116.94 118.55 3a4g h PHE 276 Ca 0.09 -0.03 -0.02 0.00 3.82 0.00 0.00 57.97 61.83 3a4g h PHE 276 Cb 0.66 -0.27 -0.02 0.00 2.00 0.00 0.00 35.95 38.32 3a4g h PHE 276 CO 0.03 0.64 0.17 -0.07 -0.18 0.00 0.00 178.31 178.90 3a4g h LEU 277 N 0.83 0.54 -0.00 1.54 3.38 -0.98 -1.99 115.31 118.63 3a4g h LEU 277 Ca 0.21 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3a4g h LEU 277 Cb 0.09 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3a4g h LEU 277 CO -0.03 0.49 -0.06 -0.09 0.09 0.00 0.00 178.44 178.84 3a4g h ARG 278 N 0.60 0.05 -0.12 1.13 2.43 -1.02 -3.11 114.38 114.34 3a4g h ARG 278 Ca 0.15 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.18 3a4g h ARG 278 Cb 0.12 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3a4g h ARG 278 CO -0.02 0.79 -0.33 0.35 -1.51 0.00 0.00 179.97 179.25 3a4g h PHE 279 N -0.68 0.26 -0.98 2.20 3.57 -0.57 -3.36 116.94 117.38 3a4g h PHE 279 Ca -0.01 -0.06 -0.37 0.00 3.53 0.00 0.00 57.97 61.06 3a4g h PHE 279 Cb 0.81 -0.06 -0.25 0.00 2.79 0.00 0.00 35.95 39.23 3a4g h PHE 279 CO 0.19 0.54 -0.77 -3.47 -2.23 0.00 0.00 178.31 172.57 3a4g n ASP 280 N -4.10 -1.56 -4.68 0.41 4.64 -0.76 -5.00 116.55 105.49 3a4g n ASP 280 Ca -0.01 -2.99 -0.44 0.00 -1.38 0.00 0.00 54.79 49.97 3a4g n ASP 280 Cb 0.42 0.71 -0.03 0.00 -1.04 0.00 0.00 41.12 41.17 3a4g n ASP 280 CO 0.00 0.00 0.00 -1.20 -0.82 0.00 0.00 177.20 175.18 3a4g n SER 281 N 1.67 3.89 -0.00 1.67 7.64 -1.17 -4.78 113.62 122.53 3a4g n SER 281 Ca 0.15 0.98 -0.06 0.00 1.01 0.00 0.00 58.87 60.95 3a4g n SER 281 Cb 0.58 -1.51 0.13 0.00 -1.01 0.00 0.00 64.21 62.41 3a4g n SER 281 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3a4g h PRO 282 N 8.75 0.54 -5.13 1.43 0.13 -1.81 -3.29 132.00 132.61 3a4g h PRO 282 Ca -0.47 -0.25 -0.66 0.00 -0.87 0.00 0.00 66.00 63.75 3a4g h PRO 282 Cb 1.24 -0.01 -0.17 0.00 0.13 0.00 0.00 31.00 32.19 3a4g h PRO 282 CO 0.94 0.82 0.41 0.08 -0.23 0.00 0.00 178.00 180.02 3a4g s VAL 283 N -4.33 4.54 0.11 1.56 1.01 -1.26 -1.42 120.40 120.61 3a4g s VAL 283 Ca -0.07 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 3a4g s VAL 283 Cb 0.13 -4.62 -0.22 0.00 0.00 0.00 0.00 36.38 31.66 3a4g s VAL 283 CO 0.81 -1.34 1.24 0.77 0.00 0.00 0.00 175.10 176.58 3a4g h SER 284 N 9.37 0.34 -4.27 3.32 4.64 -1.25 -3.40 113.55 122.30 3a4g h SER 284 Ca -0.25 -0.33 -0.43 0.00 -0.47 0.00 0.00 61.79 60.31 3a4g h SER 284 Cb 1.07 -0.11 -0.26 0.00 -0.31 0.00 0.00 62.40 62.79 3a4g h SER 284 CO 1.15 1.20 -0.79 -1.10 -0.87 0.00 0.00 176.83 176.41 3a4g s GLN 285 N -2.89 0.91 0.59 4.77 -1.52 -1.24 -1.21 119.66 119.07 3a4g s GLN 285 Ca -0.03 -0.62 -0.20 0.00 -1.95 0.00 0.00 55.36 52.56 3a4g s GLN 285 Cb 0.08 -0.89 -0.04 0.00 -0.22 0.00 0.00 33.01 31.95 3a4g s GLN 285 CO 0.86 0.23 1.25 0.00 -0.25 0.00 0.00 175.29 177.38 3a4g s ALA 286 N -0.65 2.59 0.69 6.09 0.00 -0.02 -4.76 121.76 125.70 3a4g s ALA 286 Ca 0.02 1.11 -0.17 0.00 0.00 0.00 0.00 51.96 52.92 3a4g s ALA 286 Cb -0.07 -3.49 0.01 0.00 0.00 0.00 0.00 23.12 19.57 3a4g s ALA 286 CO 0.01 -1.26 1.27 -2.30 0.00 0.00 0.00 175.76 173.47 3a4g n PRO 287 N -1.46 0.88 -1.66 0.00 -0.01 -1.26 -4.11 135.00 127.38 3a4g n PRO 287 Ca 0.13 0.36 -0.44 0.00 -0.01 0.00 0.00 63.50 63.55 3a4g n PRO 287 Cb 0.48 -2.51 -0.01 0.00 -0.01 0.00 0.00 33.50 31.45 3a4g n PRO 287 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 175.50 174.60 3a4g n ILE 288 N -2.26 1.76 -4.20 4.25 5.41 -1.26 -4.81 119.36 118.25 3a4g n ILE 288 Ca 0.15 -0.44 -0.24 0.00 1.00 0.00 0.00 62.75 63.23 3a4g n ILE 288 Cb 0.49 -1.38 -0.06 0.00 -0.71 0.00 0.00 39.64 37.98 3a4g n ILE 288 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 3a4g s ARG 289 N -1.46 2.56 -0.09 0.38 0.52 -0.02 -4.84 118.95 116.00 3a4g s ARG 289 Ca 0.59 -1.19 0.04 0.00 -0.52 0.00 0.00 55.73 54.65 3a4g s ARG 289 Cb -0.63 -2.37 -0.00 0.00 0.52 0.00 0.00 34.95 32.47 3a4g s ARG 289 CO 0.59 0.41 -0.23 -0.06 0.02 0.00 0.00 175.30 176.03 3a4g s PHE 290 N -2.09 2.57 -0.08 -0.53 0.08 0.11 -0.10 117.98 117.95 3a4g s PHE 290 Ca 0.31 -0.90 -0.30 0.00 0.12 0.00 0.00 56.93 56.16 3a4g s PHE 290 Cb -0.08 -1.70 -0.03 0.00 -0.57 0.00 0.00 43.02 40.64 3a4g s PHE 290 CO 0.21 -0.33 1.32 0.95 -0.10 0.00 0.00 175.22 177.27 3a4g s THR 291 N 0.21 4.05 0.06 0.64 -4.23 -0.35 -0.70 115.64 115.31 3a4g s THR 291 Ca -0.14 1.35 0.10 0.00 -1.18 0.00 0.00 61.69 61.82 3a4g s THR 291 Cb -0.17 -3.87 -0.09 0.00 1.34 0.00 0.00 72.50 69.71 3a4g s THR 291 CO 0.07 -0.05 1.39 0.00 -0.54 0.00 0.00 174.62 175.49 3a4g h ALA 292 N 8.01 0.55 -2.81 3.99 0.00 -0.91 0.21 119.26 128.30 3a4g h ALA 292 Ca -0.33 -0.71 -0.21 0.00 0.00 0.00 0.00 54.91 53.66 3a4g h ALA 292 Cb 1.15 -0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.71 3a4g h ALA 292 CO 0.92 0.97 -0.29 -1.83 0.00 0.00 0.00 179.25 179.03 3a4g s GLU 293 N -2.94 1.62 0.32 0.00 -1.05 -1.26 -4.75 118.70 110.63 3a4g s GLU 293 Ca 0.02 -1.58 -0.29 0.00 -0.15 0.00 0.00 54.97 52.97 3a4g s GLU 293 Cb 0.10 0.40 -0.13 0.00 -0.44 0.00 0.00 34.13 34.06 3a4g s GLU 293 CO 0.78 -0.64 1.29 -0.25 0.95 0.00 0.00 175.26 177.39 3a4g n ASP 294 N -0.82 2.62 -4.19 0.83 9.92 -1.26 -4.17 116.55 119.49 3a4g n ASP 294 Ca 0.01 1.19 -0.20 0.00 -0.53 0.00 0.00 54.79 55.26 3a4g n ASP 294 Cb 0.63 -1.46 -0.12 0.00 -0.64 0.00 0.00 41.12 39.53 3a4g n ASP 294 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 3a4g s VAL 295 N -0.89 1.23 -0.12 2.53 -7.23 -0.72 -4.92 120.40 110.27 3a4g s VAL 295 Ca 0.58 -1.30 0.02 0.00 -1.81 0.00 0.00 61.98 59.47 3a4g s VAL 295 Cb -0.60 -1.15 0.01 0.00 0.56 0.00 0.00 36.38 35.20 3a4g s VAL 295 CO 0.60 -0.16 -0.17 -0.89 -0.31 0.00 0.00 175.10 174.17 3a4g s THR 296 N -1.18 1.66 -0.03 5.32 2.01 -1.26 -0.63 115.64 121.53 3a4g s THR 296 Ca 0.00 -0.73 0.03 0.00 0.31 0.00 0.00 61.69 61.30 3a4g s THR 296 Cb -0.10 -1.50 0.00 0.00 0.01 0.00 0.00 72.50 70.91 3a4g s THR 296 CO 0.02 0.47 -0.11 -0.31 -0.69 0.00 0.00 174.62 174.01 3a4g s TYR 297 N 0.99 1.15 -1.64 4.92 1.51 -0.32 -4.78 117.35 119.18 3a4g s TYR 297 Ca -0.05 -0.30 -0.18 0.00 -1.01 0.00 0.00 57.07 55.53 3a4g s TYR 297 Cb -0.15 -0.80 0.16 0.00 -0.11 0.00 0.00 41.96 41.06 3a4g s TYR 297 CO -0.03 -0.11 0.73 0.43 -1.11 0.00 0.00 175.55 175.45 3a4g n SER 298 N 3.24 -3.21 0.00 2.29 7.64 -1.26 -0.71 113.62 121.61 3a4g n SER 298 Ca -0.18 -0.92 0.00 0.00 1.01 0.00 0.00 58.87 58.78 3a4g n SER 298 Cb 0.54 -2.64 0.00 0.00 -1.01 0.00 0.00 64.21 61.10 3a4g n SER 298 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3a4g n GLY 299 N -1.31 0.70 3.60 0.23 0.00 -1.26 -4.98 105.19 102.18 3a4g n GLY 299 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 3a4g n GLY 299 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a4g s VAL 300 N -3.03 4.41 -0.22 1.61 1.01 0.11 -5.09 120.40 119.20 3a4g s VAL 300 Ca 0.00 -0.18 -0.09 0.00 0.00 0.00 0.00 61.98 61.71 3a4g s VAL 300 Cb 0.00 -2.94 -0.05 0.00 0.00 0.00 0.00 36.38 33.39 3a4g s VAL 300 CO 0.00 0.50 0.12 -0.89 0.00 0.00 0.00 175.10 174.84 3a4g s THR 301 N 0.10 5.16 -0.28 3.92 2.01 -1.26 -1.17 115.64 124.12 3a4g s THR 301 Ca 0.03 0.11 -0.11 0.00 0.31 0.00 0.00 61.69 62.02 3a4g s THR 301 Cb -0.13 -3.38 -0.05 0.00 0.01 0.00 0.00 72.50 68.96 3a4g s THR 301 CO 0.02 0.39 0.18 -0.63 -0.69 0.00 0.00 174.62 173.89 3a4g s ILE 302 N 0.78 5.22 0.78 1.82 1.01 0.20 -4.98 121.20 126.04 3a4g s ILE 302 Ca 0.06 0.12 -0.13 0.00 0.00 0.00 0.00 60.65 60.70 3a4g s ILE 302 Cb -0.13 -3.49 0.07 0.00 0.01 0.00 0.00 42.46 38.91 3a4g s ILE 302 CO 0.02 0.24 1.16 -2.84 0.00 0.00 0.00 174.94 173.52 3a4g s PRO 303 N 1.74 1.93 0.46 2.79 0.02 -1.26 -1.76 135.00 138.93 3a4g s PRO 303 Ca 0.07 1.54 -0.23 0.00 0.02 0.00 0.00 61.00 62.40 3a4g s PRO 303 Cb -0.16 -1.83 -0.09 0.00 0.02 0.00 0.00 34.50 32.44 3a4g s PRO 303 CO 0.10 -1.95 1.09 0.00 -0.33 0.00 0.00 177.00 175.92 3a4g n ALA 304 N -3.25 0.58 -0.56 -1.55 0.00 -1.26 -3.30 120.51 111.18 3a4g n ALA 304 Ca 0.12 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.75 3a4g n ALA 304 Cb 0.51 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.81 3a4g n ALA 304 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a4g n GLY 305 N 1.07 0.85 3.89 0.00 0.00 0.73 -4.95 105.19 106.79 3a4g n GLY 305 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 3a4g n GLY 305 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a4g s GLU 306 N -0.41 3.60 -0.07 1.61 0.41 -1.21 -4.30 118.70 118.33 3a4g s GLU 306 Ca 0.00 0.33 -0.13 0.00 -0.41 0.00 0.00 54.97 54.77 3a4g s GLU 306 Cb 0.00 -2.34 -0.05 0.00 -1.78 0.00 0.00 34.13 29.96 3a4g s GLU 306 CO 0.00 -0.23 0.32 -1.64 -0.49 0.00 0.00 175.26 173.22 3a4g s MET 307 N -4.63 3.88 -0.07 1.61 -1.94 -1.26 -1.21 119.30 115.67 3a4g s MET 307 Ca 0.49 0.21 0.00 0.00 -1.71 0.00 0.00 55.69 54.68 3a4g s MET 307 Cb -0.10 -3.26 0.02 0.00 2.01 0.00 0.00 34.83 33.50 3a4g s MET 307 CO 0.44 0.61 -0.04 0.08 -0.01 0.00 0.00 175.02 176.09 3a4g s VAL 308 N -0.70 0.64 -0.13 -6.03 1.01 0.86 -0.12 120.40 115.94 3a4g s VAL 308 Ca 0.20 -0.11 -0.04 0.00 0.00 0.00 0.00 61.98 62.02 3a4g s VAL 308 Cb -0.15 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 3a4g s VAL 308 CO 0.09 0.28 0.04 -0.04 0.00 0.00 0.00 175.10 175.46 3a4g s MET 309 N 1.37 3.42 -0.30 2.72 -1.94 0.15 -0.84 119.30 123.88 3a4g s MET 309 Ca -0.03 -0.36 -0.14 0.00 -1.71 0.00 0.00 55.69 53.45 3a4g s MET 309 Cb -0.13 -2.99 -0.03 0.00 2.01 0.00 0.00 34.83 33.69 3a4g s MET 309 CO -0.03 0.54 0.31 -0.51 -0.01 0.00 0.00 175.02 175.33 3a4g s LEU 310 N -0.41 4.22 -0.96 -0.03 1.43 -1.26 -1.95 118.68 119.73 3a4g s LEU 310 Ca 0.09 -0.04 -0.24 0.00 -1.03 0.00 0.00 54.13 52.91 3a4g s LEU 310 Cb -0.12 -2.30 0.01 0.00 0.03 0.00 0.00 46.19 43.81 3a4g s LEU 310 CO 0.02 -0.21 1.65 -0.83 0.23 0.00 0.00 176.35 177.20 3a4g s GLY 311 N 1.71 0.81 0.04 -3.19 0.00 0.98 -0.84 107.32 106.83 3a4g s GLY 311 Ca 0.11 -1.93 -0.21 0.00 0.00 0.00 0.00 44.72 42.70 3a4g s GLY 311 CO 0.11 3.01 1.36 1.41 0.00 0.00 0.00 173.10 179.00 3a4g h LEU 312 N 14.86 0.34 -1.10 0.66 3.38 -1.43 0.34 115.31 132.36 3a4g h LEU 312 Ca 0.15 -0.45 0.01 0.00 0.09 0.00 0.00 57.88 57.67 3a4g h LEU 312 Cb 1.01 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.62 3a4g h LEU 312 CO 1.34 0.72 0.61 0.00 0.09 0.00 0.00 178.44 181.20 3a4g h ALA 313 N 0.63 1.35 0.09 1.53 0.00 -1.51 0.09 119.26 121.43 3a4g h ALA 313 Ca 0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3a4g h ALA 313 Cb 0.61 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3a4g h ALA 313 CO 0.03 0.61 -0.04 0.00 0.00 0.00 0.00 179.25 179.84 3a4g h ALA 314 N 1.43 -0.12 -0.94 0.00 0.00 -1.78 -3.23 119.26 114.62 3a4g h ALA 314 Ca 0.34 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 55.13 3a4g h ALA 314 Cb -0.14 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.63 3a4g h ALA 314 CO -0.07 -0.35 0.60 0.00 0.00 0.00 0.00 179.25 179.43 3a4g h ALA 315 N 0.30 1.55 0.00 0.00 0.00 -0.65 -2.40 119.26 118.06 3a4g h ALA 315 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3a4g h ALA 315 Cb 0.46 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3a4g h ALA 315 CO 0.02 0.26 0.00 0.09 0.00 0.00 0.00 179.25 179.62 3a4g n ASN 316 N -4.54 0.44 -0.85 0.00 3.02 -0.01 -1.66 115.26 111.67 3a4g n ASN 316 Ca 0.16 0.61 0.04 0.00 -0.03 0.00 0.00 54.58 55.36 3a4g n ASN 316 Cb 0.28 -0.70 0.22 0.00 -0.61 0.00 0.00 39.78 38.96 3a4g n ASN 316 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3a4g n ARG 317 N -1.99 2.17 -2.67 3.52 1.74 -0.91 -4.78 116.66 113.74 3a4g n ARG 317 Ca 0.03 -2.96 -0.43 0.00 -0.77 0.00 0.00 57.85 53.72 3a4g n ARG 317 Cb 0.21 -1.77 -0.02 0.00 -1.02 0.00 0.00 32.46 29.86 3a4g n ARG 317 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3a4g s ASP 318 N -2.39 7.04 0.52 0.55 -1.08 -0.67 -4.74 116.67 115.90 3a4g s ASP 318 Ca 0.41 1.28 0.29 0.00 -0.52 0.00 0.00 52.55 54.01 3a4g s ASP 318 Cb 0.36 -2.54 1.37 0.00 -1.46 0.00 0.00 42.92 40.65 3a4g s ASP 318 CO 0.04 -0.72 2.01 0.00 0.52 0.00 0.00 175.17 177.02 3a4g h ALA 319 N 7.63 1.12 0.00 3.66 0.00 -1.90 -0.24 119.26 129.52 3a4g h ALA 319 Ca -0.20 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3a4g h ALA 319 Cb 1.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3a4g h ALA 319 CO 0.99 0.14 0.00 -0.44 0.00 0.00 0.00 179.25 179.94 3a4g h ASP 320 N 0.00 0.00 0.00 0.00 3.32 -1.97 -3.28 116.42 114.49 3a4g h ASP 320 Ca -0.00 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.80 3a4g h ASP 320 Cb 0.46 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 3a4g h ASP 320 CO 0.02 0.00 -1.77 1.87 -1.72 0.00 0.00 179.24 177.64 3a4g n TRP 321 N -2.29 0.00 -4.06 4.55 -0.00 -0.24 -5.01 117.44 110.39 3a4g n TRP 321 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.50 57.19 3a4g n TRP 321 Cb 0.13 -0.61 -0.16 0.00 -0.00 0.00 0.00 31.31 30.67 3a4g n TRP 321 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 177.69 179.10 3a4g s MET 322 N -2.41 2.46 0.58 5.87 1.75 -0.38 -5.09 119.30 122.07 3a4g s MET 322 Ca -0.25 -0.62 -0.18 0.00 -1.25 0.00 0.00 55.69 53.38 3a4g s MET 322 Cb 0.09 -2.21 -0.04 0.00 2.84 0.00 0.00 34.83 35.51 3a4g s MET 322 CO 0.33 -0.23 1.13 -1.25 -0.65 0.00 0.00 175.02 174.35 3a4g s PRO 323 N 1.43 3.17 -1.28 4.11 0.04 -1.26 -3.31 135.00 137.89 3a4g s PRO 323 Ca 0.05 1.55 -0.10 0.00 0.04 0.00 0.00 61.00 62.53 3a4g s PRO 323 Cb -0.13 -1.99 -0.00 0.00 0.04 0.00 0.00 34.50 32.42 3a4g s PRO 323 CO -0.11 -0.99 0.61 0.39 0.04 0.00 0.00 177.00 176.94 3a4g n GLU 324 N -1.66 -2.47 0.25 4.56 1.02 -1.26 -4.86 120.64 116.21 3a4g n GLU 324 Ca 0.11 0.43 0.14 0.00 -0.02 0.00 0.00 57.16 57.83 3a4g n GLU 324 Cb 0.51 -4.35 0.61 0.00 -0.02 0.00 0.00 31.44 28.19 3a4g n GLU 324 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3a4g h PRO 325 N -1.89 0.00 -0.00 3.49 0.13 -1.84 -2.44 132.00 129.44 3a4g h PRO 325 Ca -0.65 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 3a4g h PRO 325 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 3a4g h PRO 325 CO 0.55 0.11 -0.05 -0.25 -0.23 0.00 0.00 178.00 178.13 3a4g n ASP 326 N -3.27 0.41 -4.78 1.44 8.00 -1.26 -4.82 116.55 112.26 3a4g n ASP 326 Ca 0.00 -0.76 -0.38 0.00 0.71 0.00 0.00 54.79 54.37 3a4g n ASP 326 Cb 0.34 -0.07 -0.06 0.00 -0.02 0.00 0.00 41.12 41.31 3a4g n ASP 326 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3a4g s ARG 327 N -2.29 4.14 -0.30 -1.24 3.52 -0.92 -5.06 118.95 116.80 3a4g s ARG 327 Ca 0.35 0.48 -0.22 0.00 -0.13 0.00 0.00 55.73 56.22 3a4g s ARG 327 Cb 0.21 -3.31 -0.01 0.00 -1.56 0.00 0.00 34.95 30.28 3a4g s ARG 327 CO 0.43 0.46 0.71 -1.17 -0.81 0.00 0.00 175.30 174.92 3a4g s LEU 328 N -0.38 4.11 -0.31 -0.88 2.96 -1.26 -5.01 118.68 117.90 3a4g s LEU 328 Ca 0.25 0.59 -0.01 0.00 -0.22 0.00 0.00 54.13 54.74 3a4g s LEU 328 Cb -0.17 -2.95 0.10 0.00 0.50 0.00 0.00 46.19 43.68 3a4g s LEU 328 CO 0.13 -0.53 0.12 -0.62 -1.32 0.00 0.00 176.35 174.13 3a4g s ASP 329 N 1.60 3.87 0.00 3.68 -1.08 -1.26 -4.90 116.67 118.58 3a4g s ASP 329 Ca 0.29 -1.64 0.19 0.00 -0.52 0.00 0.00 52.55 50.87 3a4g s ASP 329 Cb -0.15 -0.75 0.90 0.00 -1.46 0.00 0.00 42.92 41.47 3a4g s ASP 329 CO 0.11 -0.41 1.59 2.30 0.52 0.00 0.00 175.17 179.29 3a4g n ILE 330 N 4.83 0.53 0.95 4.11 -5.35 -1.26 -0.66 119.36 122.51 3a4g n ILE 330 Ca -0.02 0.13 0.12 0.00 -0.27 0.00 0.00 62.75 62.71 3a4g n ILE 330 Cb 0.41 -0.81 0.19 0.00 -1.74 0.00 0.00 39.64 37.69 3a4g n ILE 330 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 3a4g n THR 331 N -1.37 0.03 -1.24 7.28 -2.24 -1.26 -3.29 114.28 112.20 3a4g n THR 331 Ca 0.07 -0.03 -0.35 0.00 -2.27 0.00 0.00 64.05 61.47 3a4g n THR 331 Cb 0.18 0.30 0.08 0.00 -2.10 0.00 0.00 70.33 68.79 3a4g n THR 331 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3a4g n ARG 332 N -1.57 0.31 -3.16 -0.78 0.63 0.16 -4.94 116.66 107.31 3a4g n ARG 332 Ca 0.05 0.15 -0.41 0.00 -0.92 0.00 0.00 57.85 56.73 3a4g n ARG 332 Cb 0.35 -2.01 -0.07 0.00 0.45 0.00 0.00 32.46 31.18 3a4g n ARG 332 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3a4g s ASP 333 N -1.63 6.46 0.61 6.15 2.15 -1.26 -4.93 116.67 124.22 3a4g s ASP 333 Ca 0.68 0.42 0.25 0.00 0.43 0.00 0.00 52.55 54.33 3a4g s ASP 333 Cb -0.33 -2.31 0.85 0.00 -0.30 0.00 0.00 42.92 40.83 3a4g s ASP 333 CO 0.56 -0.42 1.27 0.00 -0.17 0.00 0.00 175.17 176.41 3a4g n ALA 334 N 5.75 0.93 -1.48 3.66 0.00 -1.26 -4.90 120.51 123.21 3a4g n ALA 334 Ca -0.02 0.32 -0.46 0.00 0.00 0.00 0.00 53.44 53.28 3a4g n ALA 334 Cb 0.49 -0.56 -0.07 0.00 0.00 0.00 0.00 19.45 19.31 3a4g n ALA 334 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3a4g n SER 335 N -3.18 1.87 0.00 0.00 7.64 -1.26 -2.43 113.62 116.25 3a4g n SER 335 Ca 0.22 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.25 3a4g n SER 335 Cb 1.50 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 3a4g n SER 335 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3a4g n GLY 336 N 6.41 0.83 3.64 0.23 0.00 -1.26 -5.07 105.19 109.96 3a4g n GLY 336 Ca 0.44 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.10 3a4g n GLY 336 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a4g n GLY 337 N -1.95 -0.19 0.90 -0.02 0.00 -1.02 -4.93 105.19 97.98 3a4g n GLY 337 Ca 0.00 -0.27 0.08 0.00 0.00 0.00 0.00 46.02 45.83 3a4g n GLY 337 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3a4g n VAL 338 N -2.30 1.99 0.27 1.61 0.24 -1.26 -4.68 118.33 114.21 3a4g n VAL 338 Ca 0.14 -1.63 0.13 0.00 -2.04 0.00 0.00 64.34 60.94 3a4g n VAL 338 Cb 0.49 -0.07 0.75 0.00 -1.47 0.00 0.00 33.84 33.54 3a4g n VAL 338 CO 0.00 0.00 0.00 2.19 -2.14 0.00 0.00 176.83 176.88 3a4g h PHE 339 N 2.02 0.00 -0.58 6.34 -5.15 -1.88 -1.11 116.94 116.58 3a4g h PHE 339 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3a4g h PHE 339 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.47 3a4g h PHE 339 CO 0.47 0.11 0.00 1.19 -2.00 0.00 0.00 178.31 178.07 3a4g n PHE 340 N -3.60 1.26 -3.28 6.09 0.99 -1.26 -4.78 117.46 112.89 3a4g n PHE 340 Ca -0.02 -0.61 0.00 0.00 -0.00 0.00 0.00 57.45 56.82 3a4g n PHE 340 Cb 0.23 -0.20 0.00 0.00 -1.00 0.00 0.00 39.48 38.51 3a4g n PHE 340 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3a4g n GLY 341 N 0.94 -1.65 3.64 1.37 0.00 -0.42 -1.25 105.19 107.82 3a4g n GLY 341 Ca 0.24 -1.45 -0.07 0.00 0.00 0.00 0.00 46.02 44.73 3a4g n GLY 341 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3a4g s HIS 342 N 0.00 -0.33 0.00 1.61 2.46 -1.26 -4.70 115.29 113.07 3a4g s HIS 342 Ca 0.00 0.80 0.00 0.00 0.47 0.00 0.00 55.06 56.33 3a4g s HIS 342 Cb 0.00 0.40 0.00 0.00 -0.13 0.00 0.00 32.58 32.85 3a4g s HIS 342 CO 0.00 -0.16 0.00 0.41 -2.47 0.00 0.00 174.74 172.52 3a4g n GLY 343 N 2.05 -0.65 0.19 1.59 0.00 -1.26 -4.48 105.19 102.63 3a4g n GLY 343 Ca -0.12 -1.46 0.04 0.00 0.00 0.00 0.00 46.02 44.48 3a4g n GLY 343 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3a4g h ILE 344 N 0.00 1.17 -0.52 -0.61 3.07 -2.01 -2.21 117.51 116.40 3a4g h ILE 344 Ca 0.00 -1.28 0.00 0.00 1.55 0.00 0.00 64.86 65.13 3a4g h ILE 344 Cb 0.00 1.71 0.00 0.00 -0.27 0.00 0.00 36.82 38.26 3a4g h ILE 344 CO 0.00 0.36 0.00 1.41 -1.05 0.00 0.00 178.15 178.87 3a4g n HIS 345 N -3.97 0.88 -1.58 0.16 8.25 -1.26 -4.98 115.22 112.72 3a4g n HIS 345 Ca -0.02 -0.39 -0.48 0.00 -0.26 0.00 0.00 57.72 56.57 3a4g n HIS 345 Cb 0.41 -0.08 -0.04 0.00 1.12 0.00 0.00 29.99 31.41 3a4g n HIS 345 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3a4g n PHE 346 N 0.95 1.28 -1.54 4.41 -0.00 -0.83 -4.58 117.46 117.14 3a4g n PHE 346 Ca 0.18 0.68 -0.61 0.00 -0.00 0.00 0.00 57.45 57.70 3a4g n PHE 346 Cb 0.55 -2.27 -0.10 0.00 -0.00 0.00 0.00 39.48 37.66 3a4g n PHE 346 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3a4g h LEU 348 N 7.64 0.00 -2.35 0.00 5.85 -1.92 -2.94 115.31 121.59 3a4g h LEU 348 Ca -0.31 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.41 3a4g h LEU 348 Cb 1.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.40 3a4g h LEU 348 CO 1.02 0.08 0.00 0.61 -0.34 0.00 0.00 178.44 179.81 3a4g n GLY 349 N -1.25 1.96 0.28 3.75 0.00 -1.26 -4.64 105.19 104.03 3a4g n GLY 349 Ca -0.03 -0.67 0.03 0.00 0.00 0.00 0.00 46.02 45.35 3a4g n GLY 349 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a4g h ALA 350 N 4.06 1.05 -0.48 4.61 0.00 -1.90 0.28 119.26 126.88 3a4g h ALA 350 Ca 0.00 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3a4g h ALA 350 Cb 0.93 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3a4g h ALA 350 CO 0.05 -0.10 -0.07 1.96 0.00 0.00 0.00 179.25 181.09 3a4g h GLN 351 N 0.56 0.90 -0.37 0.00 7.50 -1.87 -0.68 115.11 121.16 3a4g h GLN 351 Ca 0.38 -0.33 -0.05 0.00 0.50 0.00 0.00 58.65 59.16 3a4g h GLN 351 Cb 0.48 -0.06 -0.01 0.00 0.05 0.00 0.00 27.48 27.94 3a4g h GLN 351 CO -0.32 0.97 0.05 1.25 -1.50 0.00 0.00 178.83 179.28 3a4g h LEU 352 N 0.75 0.59 -0.56 1.46 5.85 -1.59 -1.17 115.31 120.64 3a4g h LEU 352 Ca 0.13 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.59 3a4g h LEU 352 Cb 0.61 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 3a4g h LEU 352 CO 0.04 0.72 0.36 0.00 -0.34 0.00 0.00 178.44 179.21 3a4g h ALA 353 N 0.90 0.72 -0.77 1.25 0.00 -0.39 0.12 119.26 121.08 3a4g h ALA 353 Ca 0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3a4g h ALA 353 Cb 0.38 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3a4g h ALA 353 CO 0.01 0.11 0.39 0.00 0.00 0.00 0.00 179.25 179.76 3a4g h ARG 354 N 0.72 1.10 0.03 0.00 3.08 -1.00 0.20 114.38 118.51 3a4g h ARG 354 Ca 0.22 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 3a4g h ARG 354 Cb -0.04 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.80 3a4g h ARG 354 CO -0.07 0.83 -0.01 1.25 -1.07 0.00 0.00 179.97 180.90 3a4g h LEU 355 N 1.09 -0.03 -0.84 3.04 6.46 -0.53 -1.58 115.31 122.92 3a4g h LEU 355 Ca 0.27 -0.32 0.04 0.00 -0.12 0.00 0.00 57.88 57.75 3a4g h LEU 355 Cb 0.08 0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 39.97 3a4g h LEU 355 CO -0.04 0.31 0.53 -0.33 -0.62 0.00 0.00 178.44 178.29 3a4g h GLU 356 N -0.38 0.97 -0.29 1.25 5.08 -0.58 -1.10 114.58 119.54 3a4g h GLU 356 Ca -0.00 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3a4g h GLU 356 Cb 0.36 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3a4g h GLU 356 CO 0.01 0.65 0.14 0.78 -1.00 0.00 0.00 179.01 179.58 3a4g h GLY 357 N 1.00 0.44 1.38 -3.84 0.00 -0.85 0.12 103.07 101.32 3a4g h GLY 357 Ca 0.35 -0.21 -0.17 0.00 0.00 0.00 0.00 47.33 47.29 3a4g h GLY 357 CO -0.14 0.20 -0.54 0.07 0.00 0.00 0.00 176.54 176.14 3a4g h ARG 358 N 0.33 0.65 0.10 4.80 0.11 -0.81 -0.81 114.38 118.75 3a4g h ARG 358 Ca 0.10 -0.41 -0.01 0.00 0.10 0.00 0.00 59.98 59.77 3a4g h ARG 358 Cb 0.11 0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.23 3a4g h ARG 358 CO -0.01 1.02 -0.05 0.28 0.10 0.00 0.00 179.97 181.31 3a4g h VAL 359 N 0.50 1.10 -0.14 0.08 2.07 -1.20 0.13 116.25 118.78 3a4g h VAL 359 Ca 0.01 -0.83 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 3a4g h VAL 359 Cb 1.10 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 3a4g h VAL 359 CO 0.11 0.20 0.08 0.00 0.02 0.00 0.00 177.57 177.98 3a4g h ALA 360 N 0.31 0.19 -0.01 1.67 0.00 -0.67 -0.55 119.26 120.20 3a4g h ALA 360 Ca -0.01 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3a4g h ALA 360 Cb 0.43 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.17 3a4g h ALA 360 CO 0.02 -0.29 -0.38 0.82 0.00 0.00 0.00 179.25 179.42 3a4g h ILE 361 N 0.14 1.49 -0.09 0.00 2.04 -1.25 -2.72 117.51 117.13 3a4g h ILE 361 Ca 0.05 -1.98 -0.00 0.00 1.00 0.00 0.00 64.86 63.93 3a4g h ILE 361 Cb 0.06 2.68 -0.00 0.00 -0.74 0.00 0.00 36.82 38.81 3a4g h ILE 361 CO -0.01 0.56 0.05 1.23 0.00 0.00 0.00 178.15 179.97 3a4g h GLY 362 N -0.33 0.15 1.01 5.37 0.00 -0.72 -2.28 103.07 106.26 3a4g h GLY 362 Ca -0.05 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 3a4g h GLY 362 CO 0.08 0.07 0.48 3.21 0.00 0.00 0.00 176.54 180.38 3a4g h ARG 363 N 0.03 1.09 -0.32 4.80 2.47 -1.21 -0.99 114.38 120.25 3a4g h ARG 363 Ca 0.03 -0.10 0.00 0.00 -1.26 0.00 0.00 59.98 58.66 3a4g h ARG 363 Cb 0.12 -0.23 -0.02 0.00 -1.65 0.00 0.00 29.97 28.20 3a4g h ARG 363 CO -0.00 0.77 0.21 1.25 0.56 0.00 0.00 179.97 182.75 3a4g h LEU 364 N 1.10 0.37 -0.61 3.04 5.85 -1.27 0.30 115.31 124.09 3a4g h LEU 364 Ca 0.29 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.88 3a4g h LEU 364 Cb -0.04 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 3a4g h LEU 364 CO -0.05 0.27 -0.52 -0.26 -0.34 0.00 0.00 178.44 177.54 3a4g h PHE 365 N 0.42 0.00 -0.27 1.25 -1.00 -1.26 0.16 116.94 116.25 3a4g h PHE 365 Ca 0.12 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.77 3a4g h PHE 365 Cb -0.04 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.52 3a4g h PHE 365 CO -0.05 0.52 -0.31 0.00 -1.61 0.00 0.00 178.31 176.86 3a4g h ALA 366 N 1.48 0.40 -0.08 2.45 0.00 -0.81 -3.17 119.26 119.54 3a4g h ALA 366 Ca -0.01 -0.41 -0.20 0.00 0.00 0.00 0.00 54.91 54.30 3a4g h ALA 366 Cb 1.13 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 3a4g h ALA 366 CO 0.07 0.43 -0.77 0.22 0.00 0.00 0.00 179.25 179.21 3a4g h ASP 367 N 0.42 0.56 -2.46 0.00 3.58 -0.17 -3.39 116.42 114.95 3a4g h ASP 367 Ca 0.04 -0.38 -0.60 0.00 0.42 0.00 0.00 57.03 56.51 3a4g h ASP 367 Cb 0.89 -0.17 -0.41 0.00 1.72 0.00 0.00 39.33 41.37 3a4g h ASP 367 CO 0.07 1.13 -0.77 0.54 -2.88 0.00 0.00 179.24 177.33 3a4g n ARG 368 N -3.84 1.45 0.31 0.28 5.12 0.53 -1.25 116.66 119.26 3a4g n ARG 368 Ca -0.05 -4.00 0.19 0.00 -1.93 0.00 0.00 57.85 52.06 3a4g n ARG 368 Cb 0.73 -1.93 1.04 0.00 -1.16 0.00 0.00 32.46 31.14 3a4g n ARG 368 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 3a4g h PRO 369 N 4.81 0.00 -0.40 5.56 0.11 -1.75 -1.98 132.00 138.36 3a4g h PRO 369 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3a4g h PRO 369 Cb 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 3a4g h PRO 369 CO 0.62 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.80 3a4g n GLU 370 N -3.47 3.22 -1.52 1.05 1.02 -1.26 -5.01 120.64 114.67 3a4g n GLU 370 Ca -0.03 -2.63 -0.50 0.00 -0.02 0.00 0.00 57.16 53.99 3a4g n GLU 370 Cb 0.11 -1.70 -0.04 0.00 -0.02 0.00 0.00 31.44 29.79 3a4g n GLU 370 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3a4g n LEU 371 N 0.28 0.52 -3.77 -4.62 7.94 -0.74 -4.56 117.00 112.05 3a4g n LEU 371 Ca 0.20 1.15 -0.13 0.00 -1.11 0.00 0.00 56.01 56.11 3a4g n LEU 371 Cb 0.76 -1.09 -0.10 0.00 0.53 0.00 0.00 43.42 43.52 3a4g n LEU 371 CO 0.16 -1.87 -0.01 0.00 -1.11 0.00 0.00 177.39 174.56 3a4g s ALA 372 N -0.45 -0.76 0.48 1.96 0.00 -0.80 -5.01 121.76 117.18 3a4g s ALA 372 Ca 0.73 0.62 -0.24 0.00 0.00 0.00 0.00 51.96 53.07 3a4g s ALA 372 Cb -0.94 -0.26 -0.07 0.00 0.00 0.00 0.00 23.12 21.85 3a4g s ALA 372 CO 0.55 -0.19 1.43 1.28 0.00 0.00 0.00 175.76 178.82 3a4g n LEU 373 N 2.21 5.31 -0.73 0.00 4.77 -1.26 -0.83 117.00 126.48 3a4g n LEU 373 Ca -0.17 1.08 0.09 0.00 -0.03 0.00 0.00 56.01 56.98 3a4g n LEU 373 Cb 0.57 -1.60 0.08 0.00 -2.33 0.00 0.00 43.42 40.14 3a4g n LEU 373 CO 0.18 -0.24 0.54 0.00 -1.33 0.00 0.00 177.39 176.55 3a4g n ALA 374 N -0.44 2.46 -2.38 -1.18 0.00 -0.21 -4.70 120.51 114.06 3a4g n ALA 374 Ca 0.07 -0.68 -0.19 0.00 0.00 0.00 0.00 53.44 52.64 3a4g n ALA 374 Cb 0.42 -0.60 -0.10 0.00 0.00 0.00 0.00 19.45 19.17 3a4g n ALA 374 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3a4g s VAL 375 N -1.44 0.95 0.56 0.00 -7.23 -1.26 -4.96 120.40 107.02 3a4g s VAL 375 Ca 0.22 -2.01 -0.16 0.00 -1.81 0.00 0.00 61.98 58.21 3a4g s VAL 375 Cb 0.15 -2.64 -0.05 0.00 0.56 0.00 0.00 36.38 34.39 3a4g s VAL 375 CO 0.22 -0.07 1.04 -0.83 -0.31 0.00 0.00 175.10 175.15 3a4g s GLY 376 N -3.39 2.14 0.27 2.32 0.00 -1.26 -4.96 107.32 102.44 3a4g s GLY 376 Ca 0.35 0.35 -0.01 0.00 0.00 0.00 0.00 44.72 45.42 3a4g s GLY 376 CO 0.13 0.66 1.73 1.41 0.00 0.00 0.00 173.10 177.03 3a4g h LEU 377 N 0.66 0.38 0.00 0.66 3.38 -2.01 0.11 115.31 118.50 3a4g h LEU 377 Ca -0.47 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3a4g h LEU 377 Cb 1.21 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3a4g h LEU 377 CO 0.59 0.11 0.00 -0.90 0.09 0.00 0.00 178.44 178.33 3a4g n ASP 378 N -4.97 0.00 -0.08 -0.43 5.75 -1.26 -2.04 116.55 113.52 3a4g n ASP 378 Ca 0.18 0.24 0.08 0.00 -0.01 0.00 0.00 54.79 55.29 3a4g n ASP 378 Cb 0.50 -0.32 -0.08 0.00 -1.03 0.00 0.00 41.12 40.18 3a4g n ASP 378 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3a4g n GLU 379 N -1.32 1.28 -2.11 0.11 1.02 0.39 -4.98 120.64 115.02 3a4g n GLU 379 Ca 0.03 -0.18 -0.40 0.00 -0.02 0.00 0.00 57.16 56.59 3a4g n GLU 379 Cb 0.06 -1.33 -0.01 0.00 -0.02 0.00 0.00 31.44 30.13 3a4g n GLU 379 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3a4g s LEU 380 N -2.70 4.31 -0.21 -4.62 1.43 -0.87 -4.99 118.68 111.03 3a4g s LEU 380 Ca 0.08 2.64 -0.01 0.00 -1.03 0.00 0.00 54.13 55.81 3a4g s LEU 380 Cb 0.14 -3.80 0.01 0.00 0.03 0.00 0.00 46.19 42.57 3a4g s LEU 380 CO 0.67 -0.69 -0.11 -0.69 0.23 0.00 0.00 176.35 175.76 3a4g s VAL 381 N -1.22 2.71 0.04 -1.59 1.01 -1.26 -4.89 120.40 115.19 3a4g s VAL 381 Ca 0.53 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.70 3a4g s VAL 381 Cb -0.38 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 3a4g s VAL 381 CO 0.50 0.41 0.14 -0.31 0.00 0.00 0.00 175.10 175.84 3a4g s TYR 382 N 1.36 3.39 0.29 5.22 1.51 -1.26 -0.45 117.35 127.40 3a4g s TYR 382 Ca 0.04 0.21 -0.30 0.00 -1.01 0.00 0.00 57.07 56.01 3a4g s TYR 382 Cb -0.14 -1.73 -0.11 0.00 -0.11 0.00 0.00 41.96 39.87 3a4g s TYR 382 CO -0.07 0.57 1.49 1.03 -1.11 0.00 0.00 175.55 177.46 3a4g s ARG 383 N -2.24 4.20 -1.19 -0.62 1.81 0.22 -4.73 118.95 116.40 3a4g s ARG 383 Ca 0.30 2.43 -0.11 0.00 -1.72 0.00 0.00 55.73 56.63 3a4g s ARG 383 Cb -0.13 -3.06 0.21 0.00 -0.45 0.00 0.00 34.95 31.53 3a4g s ARG 383 CO 0.22 -0.50 1.40 0.39 -0.68 0.00 0.00 175.30 176.14 3a4g n GLU 384 N 1.90 3.51 -3.86 3.54 1.02 -1.26 -4.69 120.64 120.80 3a4g n GLU 384 Ca 0.06 -4.02 -0.20 0.00 -0.02 0.00 0.00 57.16 52.97 3a4g n GLU 384 Cb 0.39 -2.86 -0.17 0.00 -0.02 0.00 0.00 31.44 28.78 3a4g n GLU 384 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3a4g s SER 385 N 1.92 1.10 0.24 1.62 0.15 -1.26 -5.05 113.70 112.41 3a4g s SER 385 Ca 0.39 -0.05 -0.06 0.00 0.70 0.00 0.00 55.95 56.93 3a4g s SER 385 Cb -0.03 -0.34 0.33 0.00 -1.71 0.00 0.00 66.02 64.27 3a4g s SER 385 CO -0.01 -0.15 1.84 0.74 1.20 0.00 0.00 173.24 176.85 3a4g h THR 386 N 6.29 1.00 -0.40 6.45 2.02 -1.99 -2.46 112.91 123.82 3a4g h THR 386 Ca -0.28 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.60 3a4g h THR 386 Cb 1.13 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 3a4g h THR 386 CO 0.34 0.16 0.00 0.18 0.37 0.00 0.00 175.52 176.57 3a4g n LEU 387 N -4.67 2.70 -4.21 2.58 4.77 -1.26 -4.55 117.00 112.35 3a4g n LEU 387 Ca 0.12 -1.25 -0.29 0.00 -0.03 0.00 0.00 56.01 54.56 3a4g n LEU 387 Cb 0.20 -0.26 -0.16 0.00 -2.33 0.00 0.00 43.42 40.86 3a4g n LEU 387 CO 0.30 0.62 -0.54 -0.69 -1.33 0.00 0.00 177.39 175.75 3a4g s VAL 388 N -1.48 1.80 -0.52 4.08 1.01 -0.93 -1.27 120.40 123.10 3a4g s VAL 388 Ca 0.35 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 3a4g s VAL 388 Cb 0.19 -1.53 0.13 0.00 0.00 0.00 0.00 36.38 35.18 3a4g s VAL 388 CO 0.27 0.50 0.34 -0.60 0.00 0.00 0.00 175.10 175.61 3a4g s ARG 389 N -0.07 2.35 -0.08 2.72 6.06 -0.51 -4.60 118.95 124.82 3a4g s ARG 389 Ca -0.04 -2.10 -0.04 0.00 -2.50 0.00 0.00 55.73 51.06 3a4g s ARG 389 Cb -0.13 -3.73 0.04 0.00 0.06 0.00 0.00 34.95 31.19 3a4g s ARG 389 CO 0.03 -1.14 0.17 0.20 -2.50 0.00 0.00 175.30 172.07 3a4g s GLY 390 N 1.57 -0.06 0.20 8.12 0.00 -1.26 -4.61 107.32 111.28 3a4g s GLY 390 Ca 0.11 0.76 -0.31 0.00 0.00 0.00 0.00 44.72 45.29 3a4g s GLY 390 CO -0.03 1.12 1.45 1.08 0.00 0.00 0.00 173.10 176.72 3a4g s LEU 391 N 1.28 4.38 0.22 0.66 1.43 -1.26 -0.61 118.68 124.78 3a4g s LEU 391 Ca -0.08 2.58 0.04 0.00 -1.03 0.00 0.00 54.13 55.64 3a4g s LEU 391 Cb -0.11 -3.61 0.18 0.00 0.03 0.00 0.00 46.19 42.68 3a4g s LEU 391 CO -0.07 -0.71 1.51 0.77 0.23 0.00 0.00 176.35 178.08 3a4g h SER 392 N 5.77 0.24 -5.06 2.29 4.64 -1.05 -3.44 113.55 116.94 3a4g h SER 392 Ca -0.44 -0.15 -0.07 0.00 -0.47 0.00 0.00 61.79 60.65 3a4g h SER 392 Cb 1.21 -0.07 -0.15 0.00 -0.31 0.00 0.00 62.40 63.08 3a4g h SER 392 CO 0.82 0.85 -0.13 -0.13 -0.87 0.00 0.00 176.83 177.37 3a4g s ARG 393 N -3.59 0.95 -0.33 4.77 0.52 -1.26 -4.80 118.95 115.23 3a4g s ARG 393 Ca -0.03 -0.55 -0.02 0.00 -0.52 0.00 0.00 55.73 54.62 3a4g s ARG 393 Cb 0.11 0.42 0.12 0.00 0.52 0.00 0.00 34.95 36.13 3a4g s ARG 393 CO 0.80 -0.34 0.18 1.41 0.02 0.00 0.00 175.30 177.37 3a4g s MET 394 N -3.06 0.41 0.01 3.54 1.75 -1.26 -4.61 119.30 116.07 3a4g s MET 394 Ca -0.02 -1.01 -0.30 0.00 -1.25 0.00 0.00 55.69 53.11 3a4g s MET 394 Cb 0.01 -1.24 -0.07 0.00 2.84 0.00 0.00 34.83 36.37 3a4g s MET 394 CO -0.07 -1.14 1.62 -2.14 -0.65 0.00 0.00 175.02 172.64 3a4g s PRO 395 N 1.47 4.20 0.18 4.11 0.02 -1.26 -0.83 135.00 142.90 3a4g s PRO 395 Ca 0.15 2.21 0.01 0.00 0.02 0.00 0.00 61.00 63.39 3a4g s PRO 395 Cb -0.20 -3.77 -0.05 0.00 0.02 0.00 0.00 34.50 30.50 3a4g s PRO 395 CO -0.14 -0.76 0.02 0.14 -0.33 0.00 0.00 177.00 175.94 3a4g s VAL 396 N 3.22 0.59 -0.25 3.83 -7.23 0.21 -1.04 120.40 119.73 3a4g s VAL 396 Ca 0.72 -1.98 -0.03 0.00 -1.81 0.00 0.00 61.98 58.89 3a4g s VAL 396 Cb -0.36 -2.19 0.02 0.00 0.56 0.00 0.00 36.38 34.41 3a4g s VAL 396 CO 0.30 -0.40 -0.04 -0.89 -0.31 0.00 0.00 175.10 173.77 3a4g s THR 397 N -3.72 3.13 0.23 5.32 2.01 -0.01 -0.93 115.64 121.66 3a4g s THR 397 Ca 0.26 -0.86 0.04 0.00 0.31 0.00 0.00 61.69 61.45 3a4g s THR 397 Cb 0.06 -2.55 -0.06 0.00 0.01 0.00 0.00 72.50 69.96 3a4g s THR 397 CO 0.05 0.24 1.53 0.24 -0.69 0.00 0.00 174.62 175.99 3a4g h MET 398 N 8.07 0.21 -1.22 4.92 0.00 -1.72 -2.13 114.93 123.06 3a4g h MET 398 Ca -0.35 -0.16 0.14 0.00 0.00 0.00 0.00 59.70 59.33 3a4g h MET 398 Cb 1.12 0.03 -0.05 0.00 0.00 0.00 0.00 31.60 32.70 3a4g h MET 398 CO 0.59 0.79 -0.29 0.41 0.00 0.00 0.00 176.91 178.41 3a4g n GLY 399 N 0.38 -1.98 3.75 8.32 0.00 0.42 -2.84 105.19 113.25 3a4g n GLY 399 Ca -0.02 -1.37 -0.35 0.00 0.00 0.00 0.00 46.02 44.28 3a4g n GLY 399 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3a4g s PRO 400 N -2.14 2.79 0.40 1.61 0.04 -1.26 -4.52 135.00 131.92 3a4g s PRO 400 Ca 0.00 1.70 -0.24 0.00 0.04 0.00 0.00 61.00 62.49 3a4g s PRO 400 Cb 0.00 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.53 3a4g s PRO 400 CO 0.00 -1.32 1.09 1.03 0.04 0.00 0.00 177.00 177.84 3a4g s ARG 401 N -3.62 4.11 0.43 4.56 0.52 -1.26 -4.43 118.95 119.27 3a4g s ARG 401 Ca 0.74 1.63 -0.26 0.00 -0.52 0.00 0.00 55.73 57.32 3a4g s ARG 401 Cb -0.27 -2.58 -0.09 0.00 0.52 0.00 0.00 34.95 32.53 3a4g s ARG 401 CO 0.37 -0.22 1.40 -1.54 0.02 0.00 0.00 175.30 175.33 3a4g s SER 402 N -1.42 6.03 0.00 0.23 1.04 -0.38 -5.00 113.70 114.20 3a4g s SER 402 Ca 0.58 2.87 0.00 0.00 0.48 0.00 0.00 55.95 59.88 3a4g s SER 402 Cb -0.25 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.22 3a4g s SER 402 CO 0.31 -1.07 0.00 0.00 0.98 0.00 0.00 173.24 173.47