#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h5a s ASP 2 N 0.00 6.99 0.17 6.12 1.11 -1.26 -4.16 116.67 125.65 3h5a s ASP 2 Ca 0.00 1.18 0.09 0.00 0.18 0.00 0.00 52.55 54.00 3h5a s ASP 2 Cb 0.00 -2.34 -0.04 0.00 1.07 0.00 0.00 42.92 41.61 3h5a s ASP 2 CO 0.00 0.25 -0.11 -0.31 1.18 0.00 0.00 175.17 176.18 3h5a s TYR 3 N -0.92 2.61 0.01 4.23 1.51 0.10 0.12 117.35 125.00 3h5a s TYR 3 Ca 0.28 -0.23 -0.01 0.00 -1.01 0.00 0.00 57.07 56.10 3h5a s TYR 3 Cb -0.19 -1.29 -0.01 0.00 -0.11 0.00 0.00 41.96 40.37 3h5a s TYR 3 CO 0.17 0.50 0.01 -1.50 -1.11 0.00 0.00 175.55 173.63 3h5a s ILE 4 N -1.65 0.07 0.09 2.71 2.07 0.47 -1.95 121.20 123.01 3h5a s ILE 4 Ca 0.24 -0.57 -0.30 0.00 -1.41 0.00 0.00 60.65 58.61 3h5a s ILE 4 Cb -0.09 -0.21 -0.06 0.00 0.13 0.00 0.00 42.46 42.23 3h5a s ILE 4 CO 0.14 -0.31 1.15 -0.22 -1.91 0.00 0.00 174.94 173.79 3h5a s LEU 5 N -0.94 4.41 0.45 8.50 2.96 -0.46 -0.92 118.68 132.67 3h5a s LEU 5 Ca -0.10 2.01 -0.24 0.00 -0.22 0.00 0.00 54.13 55.58 3h5a s LEU 5 Cb -0.06 -3.59 -0.08 0.00 0.50 0.00 0.00 46.19 42.96 3h5a s LEU 5 CO -0.00 -0.38 1.22 -0.83 -1.32 0.00 0.00 176.35 175.04 3h5a s GLY 6 N 0.68 2.85 0.00 7.98 0.00 0.65 -4.89 107.32 114.58 3h5a s GLY 6 Ca 0.55 1.06 0.27 0.00 0.00 0.00 0.00 44.72 46.61 3h5a s GLY 6 CO 0.31 1.57 2.05 0.54 0.00 0.00 0.00 173.10 177.57 3h5a n ARG 7 N -0.29 1.01 -0.51 2.90 1.74 -1.26 -3.16 116.66 117.08 3h5a n ARG 7 Ca 0.06 -0.02 0.10 0.00 -0.77 0.00 0.00 57.85 57.23 3h5a n ARG 7 Cb 0.46 -1.43 0.34 0.00 -1.02 0.00 0.00 32.46 30.81 3h5a n ARG 7 CO 0.00 0.00 0.00 2.48 -1.52 0.00 0.00 177.63 178.59 3h5a n TYR 8 N -0.91 1.27 -3.70 -1.55 4.11 -1.26 -4.92 117.16 110.20 3h5a n TYR 8 Ca 0.21 -0.57 -0.36 0.00 -0.00 0.00 0.00 57.90 57.17 3h5a n TYR 8 Cb 0.10 -0.15 -0.10 0.00 -0.00 0.00 0.00 39.34 39.19 3h5a n TYR 8 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.86 177.00 3h5a s VAL 9 N -1.53 5.22 0.21 -3.48 -7.23 -1.19 -4.69 120.40 107.72 3h5a s VAL 9 Ca 0.50 0.13 0.07 0.00 -1.81 0.00 0.00 61.98 60.87 3h5a s VAL 9 Cb 0.30 -3.43 -0.04 0.00 0.56 0.00 0.00 36.38 33.77 3h5a s VAL 9 CO 0.27 0.35 0.12 -0.54 -0.31 0.00 0.00 175.10 175.00 3h5a s LYS 10 N 1.07 2.76 -0.00 4.82 1.02 -1.25 -4.93 119.74 123.22 3h5a s LYS 10 Ca 0.07 -1.05 0.01 0.00 0.02 0.00 0.00 55.97 55.02 3h5a s LYS 10 Cb -0.14 -2.51 -0.00 0.00 -0.52 0.00 0.00 37.83 34.66 3h5a s LYS 10 CO 0.04 0.43 -0.02 0.42 -0.92 0.00 0.00 175.35 175.30 3h5a s ILE 11 N -1.97 0.18 -0.13 2.17 1.01 -1.26 -1.89 121.20 119.31 3h5a s ILE 11 Ca 0.31 -0.11 -0.11 0.00 0.00 0.00 0.00 60.65 60.74 3h5a s ILE 11 Cb -0.09 -0.16 0.04 0.00 0.01 0.00 0.00 42.46 42.26 3h5a s ILE 11 CO 0.23 0.04 0.34 0.00 0.00 0.00 0.00 174.94 175.56 3h5a s ALA 12 N -0.07 -0.85 0.14 9.38 0.00 -1.03 -4.99 121.76 124.34 3h5a s ALA 12 Ca 0.01 1.01 -0.31 0.00 0.00 0.00 0.00 51.96 52.67 3h5a s ALA 12 Cb -0.01 -0.60 -0.08 0.00 0.00 0.00 0.00 23.12 22.43 3h5a s ALA 12 CO -0.00 -0.17 1.41 0.50 0.00 0.00 0.00 175.76 177.49 3h5a s ARG 13 N 0.33 4.31 -0.20 0.00 3.00 -1.26 -0.08 118.95 125.06 3h5a s ARG 13 Ca -0.01 2.13 -0.14 0.00 -1.00 0.00 0.00 55.73 56.71 3h5a s ARG 13 Cb -0.03 -3.22 0.06 0.00 0.00 0.00 0.00 34.95 31.76 3h5a s ARG 13 CO -0.01 -0.43 0.50 -0.47 0.00 0.00 0.00 175.30 174.89 3h5a s TYR 14 N 0.89 -0.67 0.00 5.12 5.04 -0.34 -4.85 117.35 122.54 3h5a s TYR 14 Ca 0.64 1.47 0.00 0.00 -2.44 0.00 0.00 57.07 56.74 3h5a s TYR 14 Cb -0.38 0.30 0.00 0.00 0.35 0.00 0.00 41.96 42.23 3h5a s TYR 14 CO 0.32 -0.35 0.00 0.41 -1.34 0.00 0.00 175.55 174.60 3h5a n GLY 15 N 3.69 2.78 0.00 8.97 0.00 -1.26 -1.21 105.19 118.16 3h5a n GLY 15 Ca -0.19 -0.20 0.10 0.00 0.00 0.00 0.00 46.02 45.74 3h5a n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h5a n SER 16 N 1.68 0.00 0.00 1.61 3.41 -1.26 -4.78 113.62 114.27 3h5a n SER 16 Ca 0.00 -0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.23 3h5a n SER 16 Cb 0.00 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 3h5a n SER 16 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h5a n GLY 17 N 0.34 0.11 0.00 5.00 0.00 -0.35 -2.92 105.19 107.37 3h5a n GLY 17 Ca 0.13 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.62 3h5a n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h5a n GLY 18 N 0.00 -1.45 3.85 -0.02 0.00 -0.89 -1.20 105.19 105.47 3h5a n GLY 18 Ca 0.00 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.66 3h5a n GLY 18 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h5a s LEU 19 N 0.00 4.17 -0.07 0.99 1.02 0.89 -0.73 118.68 124.96 3h5a s LEU 19 Ca 0.00 0.30 -0.00 0.00 0.02 0.00 0.00 54.13 54.45 3h5a s LEU 19 Cb 0.00 -2.33 0.02 0.00 0.02 0.00 0.00 46.19 43.91 3h5a s LEU 19 CO 0.00 0.31 -0.04 -0.69 0.02 0.00 0.00 176.35 175.95 3h5a s VAL 20 N -1.19 0.60 0.00 -1.59 1.01 -0.54 -2.48 120.40 116.21 3h5a s VAL 20 Ca 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.12 3h5a s VAL 20 Cb -0.12 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.59 3h5a s VAL 20 CO 0.13 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.11 3h5a n GLY 21 N 4.62 0.72 0.00 4.51 0.00 -0.80 -0.65 105.19 113.60 3h5a n GLY 21 Ca -0.16 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3h5a n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h5a n GLY 22 N 0.00 1.83 0.00 -0.02 0.00 -1.26 -3.77 105.19 101.97 3h5a n GLY 22 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 3h5a n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h5a n GLY 23 N 0.00 0.59 0.00 -0.02 0.00 -1.26 -4.53 105.19 99.97 3h5a n GLY 23 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 3h5a n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h5a n GLY 24 N 5.00 -0.08 0.00 -0.02 0.00 -1.26 -2.23 105.19 106.60 3h5a n GLY 24 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3h5a n GLY 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h5a n LYS 25 N -0.72 -0.56 -1.61 1.61 5.02 -1.26 -5.07 118.16 115.57 3h5a n LYS 25 Ca 0.01 -0.37 -0.42 0.00 -2.02 0.00 0.00 58.31 55.51 3h5a n LYS 25 Cb 0.00 -0.83 0.01 0.00 -0.02 0.00 0.00 35.03 34.19 3h5a n LYS 25 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3h5a n GLU 26 N -0.01 1.35 -4.02 1.97 2.13 -0.95 -4.68 120.64 116.42 3h5a n GLU 26 Ca 0.00 0.48 -0.19 0.00 0.66 0.00 0.00 57.16 58.11 3h5a n GLU 26 Cb 0.09 -2.02 -0.16 0.00 0.27 0.00 0.00 31.44 29.62 3h5a n GLU 26 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 3h5a s GLN 27 N -1.96 0.61 -0.11 5.31 -1.52 0.18 -4.92 119.66 117.25 3h5a s GLN 27 Ca 0.63 -0.01 -0.25 0.00 -1.95 0.00 0.00 55.36 53.78 3h5a s GLN 27 Cb -0.57 -0.74 -0.03 0.00 -0.22 0.00 0.00 33.01 31.46 3h5a s GLN 27 CO 0.57 -0.14 0.78 -0.47 -0.25 0.00 0.00 175.29 175.79 3h5a s TYR 28 N 1.13 3.51 -0.33 0.91 5.04 -1.26 -1.47 117.35 124.88 3h5a s TYR 28 Ca -0.08 1.29 -0.06 0.00 -2.44 0.00 0.00 57.07 55.78 3h5a s TYR 28 Cb -0.14 -2.93 0.04 0.00 0.35 0.00 0.00 41.96 39.28 3h5a s TYR 28 CO -0.01 -0.07 0.08 0.08 -1.34 0.00 0.00 175.55 174.29 3h5a s VAL 29 N 1.44 3.67 0.14 3.14 1.01 0.09 -5.00 120.40 124.89 3h5a s VAL 29 Ca 0.39 -1.13 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 3h5a s VAL 29 Cb -0.18 -3.06 -0.16 0.00 0.00 0.00 0.00 36.38 32.99 3h5a s VAL 29 CO 0.16 -0.14 1.34 -0.33 0.00 0.00 0.00 175.10 176.14 3h5a h GLU 30 N 8.19 0.50 -6.31 2.72 5.08 -1.91 -2.37 114.58 120.48 3h5a h GLU 30 Ca -0.24 -0.47 -0.53 0.00 -1.00 0.00 0.00 59.36 57.12 3h5a h GLU 30 Cb 1.08 0.12 -0.07 0.00 0.50 0.00 0.00 28.75 30.38 3h5a h GLU 30 CO 0.59 1.10 1.10 1.21 -1.00 0.00 0.00 179.01 182.01 3h5a s ASN 31 N -7.07 6.04 0.27 1.42 3.84 -1.26 -3.55 114.94 114.63 3h5a s ASN 31 Ca -0.07 -0.34 -0.02 0.00 0.21 0.00 0.00 52.86 52.64 3h5a s ASN 31 Cb 0.09 -2.56 0.58 0.00 -0.55 0.00 0.00 41.25 38.81 3h5a s ASN 31 CO 0.87 -1.91 1.41 -0.11 -2.79 0.00 0.00 177.10 174.57 3h5a n LEU 32 N 9.83 -0.20 -0.00 3.21 7.94 -1.15 -0.45 117.00 136.19 3h5a n LEU 32 Ca 0.05 1.54 0.02 0.00 -1.11 0.00 0.00 56.01 56.52 3h5a n LEU 32 Cb 0.49 -0.52 0.36 0.00 0.53 0.00 0.00 43.42 44.28 3h5a n LEU 32 CO 0.71 -1.53 1.05 -0.37 -1.11 0.00 0.00 177.39 176.14 3h5a h VAL 33 N 0.00 1.15 0.05 1.96 -1.51 -1.90 -1.07 116.25 114.93 3h5a h VAL 33 Ca 0.50 -0.49 -0.28 0.00 -1.23 0.00 0.00 66.70 65.20 3h5a h VAL 33 Cb 0.94 0.72 0.03 0.00 -2.13 0.00 0.00 31.29 30.84 3h5a h VAL 33 CO -0.88 0.19 -1.13 0.25 -1.23 0.00 0.00 177.57 174.76 3h5a h LEU 34 N 0.53 0.91 0.17 4.19 5.85 -1.16 -1.64 115.31 124.16 3h5a h LEU 34 Ca 0.13 -0.77 0.01 0.00 0.84 0.00 0.00 57.88 58.09 3h5a h LEU 34 Cb 0.13 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 3h5a h LEU 34 CO -0.01 1.57 -0.23 -0.25 -0.34 0.00 0.00 178.44 179.18 3h5a h TRP 35 N 0.35 -0.60 -0.63 1.25 7.01 -0.98 0.13 115.95 122.48 3h5a h TRP 35 Ca -0.16 0.01 0.10 0.00 2.11 0.00 0.00 58.89 60.95 3h5a h TRP 35 Cb 1.79 0.24 -0.08 0.00 -2.10 0.00 0.00 29.16 29.02 3h5a h TRP 35 CO 0.11 -0.33 0.24 0.93 -2.79 0.00 0.00 178.44 176.60 3h5a h GLU 36 N -0.46 0.41 -0.11 2.65 5.08 -1.25 0.09 114.58 120.98 3h5a h GLU 36 Ca 0.01 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3h5a h GLU 36 Cb 0.45 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3h5a h GLU 36 CO -0.09 0.27 0.02 -0.91 -1.00 0.00 0.00 179.01 177.30 3h5a h ASN 37 N 0.42 0.13 -0.14 1.42 4.21 -0.79 0.19 115.58 121.02 3h5a h ASN 37 Ca 0.32 -0.01 -0.09 0.00 1.21 0.00 0.00 56.30 57.73 3h5a h ASN 37 Cb 0.41 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 37.57 3h5a h ASN 37 CO -0.32 0.15 -0.27 0.40 -1.29 0.00 0.00 177.43 176.10 3h5a h ILE 38 N 0.15 1.37 -0.09 2.81 2.04 0.11 -1.73 117.51 122.18 3h5a h ILE 38 Ca 0.04 -1.54 0.03 0.00 1.00 0.00 0.00 64.86 64.39 3h5a h ILE 38 Cb 0.07 2.02 -0.04 0.00 -0.74 0.00 0.00 36.82 38.14 3h5a h ILE 38 CO -0.00 0.46 -0.12 0.40 0.00 0.00 0.00 178.15 178.88 3h5a h ILE 39 N 0.03 0.67 -0.83 -0.67 2.04 -1.02 0.45 117.51 118.18 3h5a h ILE 39 Ca 0.00 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.99 3h5a h ILE 39 Cb 0.86 0.67 -0.08 0.00 -0.74 0.00 0.00 36.82 37.53 3h5a h ILE 39 CO 0.06 0.00 0.44 0.11 0.00 0.00 0.00 178.15 178.76 3h5a h LYS 40 N -0.16 0.66 0.12 2.37 1.57 -0.90 -0.26 116.57 119.96 3h5a h LYS 40 Ca 0.07 -0.04 -0.29 0.00 -1.87 0.00 0.00 60.65 58.52 3h5a h LYS 40 Cb 0.27 -0.15 0.03 0.00 0.08 0.00 0.00 32.23 32.46 3h5a h LYS 40 CO -0.19 0.44 -1.22 1.79 -0.57 0.00 0.00 179.45 179.70 3h5a h THR 41 N 0.68 1.29 -0.72 -0.16 1.35 -0.88 -3.18 112.91 111.29 3h5a h THR 41 Ca 0.43 -2.45 0.15 0.00 -0.55 0.00 0.00 66.41 64.00 3h5a h THR 41 Cb 0.53 2.71 -0.05 0.00 -1.73 0.00 0.00 68.15 69.62 3h5a h THR 41 CO -0.32 0.74 0.49 0.00 -0.25 0.00 0.00 175.52 176.19 3h5a h ALA 42 N 0.28 2.19 -0.16 6.62 0.00 0.46 -1.73 119.26 126.92 3h5a h ALA 42 Ca -0.19 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 3h5a h ALA 42 Cb 1.89 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 3h5a h ALA 42 CO 0.23 -0.39 -0.10 -0.92 0.00 0.00 0.00 179.25 178.07 3h5a h TYR 43 N 0.34 0.26 -0.07 0.00 3.20 -1.04 -1.94 116.97 117.73 3h5a h TYR 43 Ca 0.35 -0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.22 3h5a h TYR 43 Cb 0.90 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 39.09 3h5a h TYR 43 CO -0.00 0.36 0.06 0.00 -1.64 0.00 0.00 178.16 176.94 3h5a n PHE 45 N -4.09 0.00 -0.13 0.00 3.01 -0.73 -4.05 117.46 111.47 3h5a n PHE 45 Ca -0.01 0.00 0.18 0.00 1.01 0.00 0.00 57.45 58.62 3h5a n PHE 45 Cb 0.16 0.00 0.57 0.00 -0.01 0.00 0.00 39.48 40.20 3h5a n PHE 45 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 3h5a h ILE 46 N 4.32 0.75 -3.33 4.37 2.04 -1.60 -1.21 117.51 122.85 3h5a h ILE 46 Ca 0.00 -0.10 -0.65 0.00 1.00 0.00 0.00 64.86 65.12 3h5a h ILE 46 Cb 0.92 0.45 -0.24 0.00 -0.74 0.00 0.00 36.82 37.20 3h5a h ILE 46 CO 0.00 0.05 -0.71 0.28 0.00 0.00 0.00 178.15 177.77 3h5a s THR 47 N -5.28 3.50 0.43 -0.27 -1.32 -1.26 -4.70 115.64 106.74 3h5a s THR 47 Ca -0.07 -0.49 -0.25 0.00 -1.21 0.00 0.00 61.69 59.66 3h5a s THR 47 Cb 0.21 -2.52 -0.09 0.00 -1.51 0.00 0.00 72.50 68.58 3h5a s THR 47 CO 0.76 0.49 1.32 -0.81 -2.21 0.00 0.00 174.62 174.18 3h5a n PRO 48 N 3.73 2.04 -3.57 7.08 -0.04 -1.26 -4.90 135.00 138.08 3h5a n PRO 48 Ca -0.18 0.73 -0.16 0.00 -0.04 0.00 0.00 63.50 63.84 3h5a n PRO 48 Cb 0.52 -2.46 -0.07 0.00 -0.04 0.00 0.00 33.50 31.46 3h5a n PRO 48 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3h5a s SER 49 N -0.50 -0.64 1.02 3.54 0.15 -0.82 -4.93 113.70 111.51 3h5a s SER 49 Ca 0.61 0.85 -0.15 0.00 0.70 0.00 0.00 55.95 57.96 3h5a s SER 49 Cb -0.49 0.76 0.20 0.00 -1.71 0.00 0.00 66.02 64.78 3h5a s SER 49 CO 0.58 -0.49 1.16 -0.94 1.20 0.00 0.00 173.24 174.75 3h5a s SER 50 N -0.77 2.56 0.08 5.45 1.04 -1.26 -0.73 113.70 120.08 3h5a s SER 50 Ca -0.08 0.75 -0.18 0.00 0.48 0.00 0.00 55.95 56.92 3h5a s SER 50 Cb -0.02 -1.14 -0.09 0.00 0.10 0.00 0.00 66.02 64.87 3h5a s SER 50 CO 0.07 -3.12 1.46 0.22 0.98 0.00 0.00 173.24 172.85 3h5a h TYR 51 N -1.89 0.54 -0.26 5.02 3.20 -1.99 -2.73 116.97 118.86 3h5a h TYR 51 Ca -0.48 -0.12 -0.16 0.00 3.14 0.00 0.00 58.73 61.10 3h5a h TYR 51 Cb 1.30 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 39.44 3h5a h TYR 51 CO -0.70 0.71 -0.50 1.79 -1.64 0.00 0.00 178.16 177.83 3h5a h THR 52 N 0.21 1.29 -0.69 1.81 1.35 -1.95 -1.40 112.91 113.54 3h5a h THR 52 Ca 0.06 -1.70 -0.05 0.00 -0.55 0.00 0.00 66.41 64.16 3h5a h THR 52 Cb 0.55 1.62 -0.03 0.00 -1.73 0.00 0.00 68.15 68.56 3h5a h THR 52 CO 0.03 0.55 0.22 0.00 -0.25 0.00 0.00 175.52 176.06 3h5a h ALA 53 N 0.87 1.09 -0.27 6.62 0.00 -1.95 -2.57 119.26 123.04 3h5a h ALA 53 Ca 0.02 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 3h5a h ALA 53 Cb 1.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3h5a h ALA 53 CO 0.10 0.62 -0.31 0.00 0.00 0.00 0.00 179.25 179.67 3h5a h ALA 54 N 1.22 0.96 -0.59 0.00 0.00 -1.18 -1.85 119.26 117.81 3h5a h ALA 54 Ca 0.22 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3h5a h ALA 54 Cb 0.28 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3h5a h ALA 54 CO -0.01 0.61 0.34 1.25 0.00 0.00 0.00 179.25 181.44 3h5a h LEU 55 N 0.48 0.73 0.16 0.00 5.85 -1.02 -0.28 115.31 121.23 3h5a h LEU 55 Ca 0.06 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.72 3h5a h LEU 55 Cb 0.78 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 3h5a h LEU 55 CO 0.06 0.59 -0.38 -0.33 -0.34 0.00 0.00 178.44 178.05 3h5a h GLU 56 N 0.80 -0.61 0.04 1.25 3.07 -1.23 -3.26 114.58 114.64 3h5a h GLU 56 Ca 0.21 0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 59.11 3h5a h GLU 56 Cb 0.01 0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 3h5a h GLU 56 CO -0.04 -0.41 -0.02 1.15 -1.40 0.00 0.00 179.01 178.29 3h5a h THR 57 N -0.64 0.96 -4.13 1.13 2.02 -0.99 -3.42 112.91 107.85 3h5a h THR 57 Ca 0.02 -0.00 -0.51 0.00 0.77 0.00 0.00 66.41 66.68 3h5a h THR 57 Cb 0.65 0.96 0.10 0.00 -1.74 0.00 0.00 68.15 68.12 3h5a h THR 57 CO -0.20 0.00 0.42 0.00 0.37 0.00 0.00 175.52 176.11 3h5a s ALA 58 N -6.18 2.52 -0.64 6.16 0.00 -0.15 -4.96 121.76 118.51 3h5a s ALA 58 Ca -0.13 0.80 0.04 0.00 0.00 0.00 0.00 51.96 52.66 3h5a s ALA 58 Cb 0.06 -3.39 0.35 0.00 0.00 0.00 0.00 23.12 20.15 3h5a s ALA 58 CO 0.66 -1.15 1.19 0.09 0.00 0.00 0.00 175.76 176.54 3h5a n ASN 59 N -1.87 5.19 -4.16 0.00 3.02 -1.26 -4.87 115.26 111.30 3h5a n ASN 59 Ca 0.12 -3.70 -0.18 0.00 -0.03 0.00 0.00 54.58 50.79 3h5a n ASN 59 Cb 0.51 -0.67 -0.12 0.00 -0.61 0.00 0.00 39.78 38.89 3h5a n ASN 59 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3h5a s ILE 60 N -4.71 1.05 0.31 2.41 -4.36 -1.26 -5.12 121.20 109.53 3h5a s ILE 60 Ca 0.47 -1.32 -0.29 0.00 -0.26 0.00 0.00 60.65 59.26 3h5a s ILE 60 Cb 0.30 -1.06 -0.11 0.00 1.25 0.00 0.00 42.46 42.84 3h5a s ILE 60 CO -0.16 -0.26 1.52 -2.16 0.24 0.00 0.00 174.94 174.11 3h5a s PRO 61 N -1.81 4.16 0.33 0.37 0.04 -1.26 -4.69 135.00 132.14 3h5a s PRO 61 Ca -0.02 2.51 0.14 0.00 0.04 0.00 0.00 61.00 63.66 3h5a s PRO 61 Cb -0.09 -3.02 1.08 0.00 0.04 0.00 0.00 34.50 32.50 3h5a s PRO 61 CO 0.02 -0.54 1.48 -1.91 0.04 0.00 0.00 177.00 176.09 3h5a n GLU 62 N 1.56 -0.06 -0.25 4.56 2.13 -1.26 -0.35 120.64 126.97 3h5a n GLU 62 Ca 0.05 1.33 -0.09 0.00 0.66 0.00 0.00 57.16 59.11 3h5a n GLU 62 Cb 0.39 -2.30 -0.05 0.00 0.27 0.00 0.00 31.44 29.75 3h5a n GLU 62 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 3h5a h LYS 63 N 0.00 -0.18 -0.12 5.31 1.63 -2.01 -1.38 116.57 119.82 3h5a h LYS 63 Ca 0.72 0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 60.47 3h5a h LYS 63 Cb 1.79 0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 33.46 3h5a h LYS 63 CO -0.78 -0.12 -0.17 -0.44 -3.45 0.00 0.00 179.45 174.49 3h5a h ASP 64 N -0.19 0.36 -0.64 4.20 3.32 -1.04 -3.21 116.42 119.22 3h5a h ASP 64 Ca 0.18 -0.52 0.13 0.00 0.02 0.00 0.00 57.03 56.84 3h5a h ASP 64 Cb 0.55 -0.10 -0.11 0.00 0.22 0.00 0.00 39.33 39.88 3h5a h ASP 64 CO -0.75 0.81 -0.03 0.15 -1.72 0.00 0.00 179.24 177.70 3h5a h PHE 65 N -0.08 -0.10 -0.91 4.55 3.57 -1.26 -1.79 116.94 120.91 3h5a h PHE 65 Ca 0.01 0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.63 3h5a h PHE 65 Cb 0.73 0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.56 3h5a h PHE 65 CO 0.10 -0.20 0.59 1.03 -2.23 0.00 0.00 178.31 177.60 3h5a h SER 66 N 0.09 0.91 0.03 0.41 0.87 -1.25 0.60 113.55 115.20 3h5a h SER 66 Ca 0.33 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.90 3h5a h SER 66 Cb 0.54 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 3h5a h SER 66 CO -0.57 0.58 -0.01 0.78 -0.53 0.00 0.00 176.83 177.07 3h5a h ASN 67 N 1.03 -0.03 -0.91 6.23 2.35 -1.40 -2.47 115.58 120.38 3h5a h ASN 67 Ca 0.39 -0.25 0.01 0.00 -0.55 0.00 0.00 56.30 55.90 3h5a h ASN 67 Cb 0.21 0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.54 3h5a h ASN 67 CO -0.15 0.23 0.60 0.00 -1.65 0.00 0.00 177.43 176.46 3h5a h PHE 69 N 1.23 0.02 -0.86 0.00 3.57 -0.91 -0.82 116.94 119.18 3h5a h PHE 69 Ca 0.33 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.82 3h5a h PHE 69 Cb -0.14 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.57 3h5a h PHE 69 CO -0.01 0.00 0.48 0.00 -2.23 0.00 0.00 178.31 176.55 3h5a h ARG 70 N 0.06 1.19 -0.64 1.11 3.08 -0.92 0.12 114.38 118.38 3h5a h ARG 70 Ca 0.05 -0.13 0.02 0.00 0.07 0.00 0.00 59.98 59.99 3h5a h ARG 70 Cb 0.05 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 29.83 3h5a h ARG 70 CO -0.08 0.86 0.41 0.35 -1.07 0.00 0.00 179.97 180.44 3h5a h PHE 71 N 1.20 0.77 -0.10 3.04 3.57 -0.60 0.12 116.94 124.94 3h5a h PHE 71 Ca 0.30 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.76 3h5a h PHE 71 Cb 0.01 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.50 3h5a h PHE 71 CO 0.01 0.46 -0.19 -0.07 -2.23 0.00 0.00 178.31 176.29 3h5a h LEU 72 N 0.82 0.34 -0.03 0.59 3.38 -0.49 -3.01 115.31 116.91 3h5a h LEU 72 Ca 0.25 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3h5a h LEU 72 Cb -0.04 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3h5a h LEU 72 CO -0.08 0.83 0.01 0.50 0.09 0.00 0.00 178.44 179.79 3h5a h LYS 73 N -0.14 0.03 0.00 1.13 3.64 -0.69 0.25 116.57 120.79 3h5a h LYS 73 Ca 0.00 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 3h5a h LYS 73 Cb 0.77 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.58 3h5a h LYS 73 CO 0.04 0.02 -0.11 0.93 -2.27 0.00 0.00 179.45 178.06 3h5a h GLU 74 N 0.03 0.00 -0.03 1.90 5.08 -0.82 -0.83 114.58 119.91 3h5a h GLU 74 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3h5a h GLU 74 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3h5a h GLU 74 CO -0.01 0.11 -0.07 0.09 -1.00 0.00 0.00 179.01 178.13 3h5a n ASN 75 N -3.94 2.58 -1.57 1.42 3.02 -1.14 -4.95 115.26 110.68 3h5a n ASN 75 Ca -0.02 -1.83 -0.14 0.00 -0.03 0.00 0.00 54.58 52.56 3h5a n ASN 75 Cb 0.20 0.06 -0.01 0.00 -0.61 0.00 0.00 39.78 39.42 3h5a n ASN 75 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3h5a n PHE 76 N 0.93 -0.62 0.02 3.10 3.72 -0.32 -4.92 117.46 119.37 3h5a n PHE 76 Ca 0.14 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.35 3h5a n PHE 76 Cb 0.54 -2.97 -0.10 0.00 -0.94 0.00 0.00 39.48 36.00 3h5a n PHE 76 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 176.76 177.45 3h5a h PHE 77 N 0.00 0.94 -3.24 1.38 0.05 -1.18 -3.43 116.94 111.46 3h5a h PHE 77 Ca -0.33 -0.49 -0.66 0.00 3.82 0.00 0.00 57.97 60.31 3h5a h PHE 77 Cb 1.22 -0.11 -0.11 0.00 2.00 0.00 0.00 35.95 38.94 3h5a h PHE 77 CO 0.38 1.32 -0.61 0.96 -0.18 0.00 0.00 178.31 180.17 3h5a s ILE 78 N -3.38 4.40 0.04 -0.55 -4.36 -1.10 -0.26 121.20 116.00 3h5a s ILE 78 Ca -0.11 -0.60 -0.03 0.00 -0.26 0.00 0.00 60.65 59.65 3h5a s ILE 78 Cb 0.06 -3.02 -0.02 0.00 1.25 0.00 0.00 42.46 40.73 3h5a s ILE 78 CO 0.89 0.30 0.04 0.27 0.24 0.00 0.00 174.94 176.68 3h5a s ILE 79 N -1.19 0.16 0.28 8.37 -4.36 -0.10 -4.38 121.20 119.98 3h5a s ILE 79 Ca 0.23 -1.35 -0.28 0.00 -0.26 0.00 0.00 60.65 58.99 3h5a s ILE 79 Cb -0.12 -1.08 -0.14 0.00 1.25 0.00 0.00 42.46 42.37 3h5a s ILE 79 CO 0.14 -0.75 0.93 -2.65 0.24 0.00 0.00 174.94 172.86 3h5a n PRO 80 N 0.56 1.15 -0.02 0.37 -0.02 -1.26 -0.40 135.00 135.39 3h5a n PRO 80 Ca -0.17 0.40 0.09 0.00 -2.02 0.00 0.00 63.50 61.80 3h5a n PRO 80 Cb 0.59 -1.72 0.49 0.00 -0.02 0.00 0.00 33.50 32.84 3h5a n PRO 80 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3h5a h GLY 81 N 1.82 0.50 0.50 -1.23 0.00 0.65 -2.70 103.07 102.61 3h5a h GLY 81 Ca -0.38 -0.16 0.11 0.00 0.00 0.00 0.00 47.33 46.90 3h5a h GLY 81 CO 0.60 0.13 0.63 1.05 0.00 0.00 0.00 176.54 178.95 3h5a h GLU 82 N 0.41 0.98 0.00 4.80 -0.00 -1.89 -2.22 114.58 116.66 3h5a h GLU 82 Ca 0.20 -0.06 0.00 0.00 -0.00 0.00 0.00 59.36 59.50 3h5a h GLU 82 Cb 0.28 -0.22 0.00 0.00 -0.00 0.00 0.00 28.75 28.81 3h5a h GLU 82 CO -0.05 0.65 0.00 0.66 -0.00 0.00 0.00 179.01 180.27 3h5a n TYR 83 N -4.61 0.00 0.35 2.06 4.02 -1.02 -3.23 117.16 114.73 3h5a n TYR 83 Ca 0.18 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 58.17 3h5a n TYR 83 Cb 0.33 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.52 3h5a n TYR 83 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3h5a n ASN 84 N -0.95 0.72 -4.55 7.72 4.05 -0.84 -4.64 115.26 116.79 3h5a n ASN 84 Ca 0.06 -0.38 -0.27 0.00 0.45 0.00 0.00 54.58 54.45 3h5a n ASN 84 Cb 0.03 1.52 -0.10 0.00 1.23 0.00 0.00 39.78 42.46 3h5a n ASN 84 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 3h5a s ASN 85 N -3.62 4.12 0.00 1.20 2.20 -1.20 -5.18 114.94 112.46 3h5a s ASN 85 Ca -0.01 -0.63 0.00 0.00 -0.94 0.00 0.00 52.86 51.27 3h5a s ASN 85 Cb 0.13 -0.64 0.00 0.00 -2.00 0.00 0.00 41.25 38.74 3h5a s ASN 85 CO 0.78 0.10 0.00 -0.62 -2.94 0.00 0.00 177.10 174.43 3h5a n GLU 88 N 0.05 0.00 -3.67 3.55 -0.58 -1.26 -5.03 120.64 113.69 3h5a n GLU 88 Ca -0.11 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.35 3h5a n GLU 88 Cb 0.56 0.00 0.03 0.00 -0.57 0.00 0.00 31.44 31.45 3h5a n GLU 88 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3h5a n ASN 89 N -0.30 -5.41 -4.61 1.62 2.85 -1.26 -4.99 115.26 103.16 3h5a n ASN 89 Ca 0.00 -0.93 -0.34 0.00 -0.11 0.00 0.00 54.58 53.20 3h5a n ASN 89 Cb 0.00 -3.08 -0.11 0.00 1.24 0.00 0.00 39.78 37.83 3h5a n ASN 89 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 3h5a s ASN 90 N -3.32 4.83 0.11 1.20 2.47 -1.26 -5.01 114.94 113.95 3h5a s ASN 90 Ca 0.33 0.02 0.27 0.00 0.42 0.00 0.00 52.86 53.90 3h5a s ASN 90 Cb -0.13 -1.29 0.89 0.00 -1.45 0.00 0.00 41.25 39.27 3h5a s ASN 90 CO 0.87 0.36 1.75 -2.11 -3.72 0.00 0.00 177.10 174.25 3h5a n ARG 91 N 2.27 0.15 -0.27 0.43 1.85 -1.26 -2.85 116.66 116.98 3h5a n ARG 91 Ca -0.18 0.10 0.11 0.00 -1.00 0.00 0.00 57.85 56.88 3h5a n ARG 91 Cb 0.53 -1.66 0.27 0.00 -1.05 0.00 0.00 32.46 30.56 3h5a n ARG 91 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3h5a n TYR 92 N -1.91 0.70 0.45 2.89 4.02 -1.26 -4.54 117.16 117.51 3h5a n TYR 92 Ca 0.06 -0.35 0.12 0.00 -0.01 0.00 0.00 57.90 57.71 3h5a n TYR 92 Cb 0.39 0.00 0.46 0.00 -0.02 0.00 0.00 39.34 40.18 3h5a n TYR 92 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3h5a n SER 93 N 1.28 0.61 0.07 7.72 3.41 -1.13 -1.45 113.62 124.12 3h5a n SER 93 Ca 0.20 0.63 -0.15 0.00 -0.26 0.00 0.00 58.87 59.30 3h5a n SER 93 Cb 0.53 -0.77 -0.06 0.00 -0.26 0.00 0.00 64.21 63.65 3h5a n SER 93 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3h5a h ARG 94 N 0.00 0.45 -0.27 4.33 3.08 -1.85 -3.18 114.38 116.93 3h5a h ARG 94 Ca 0.00 -0.50 -0.08 0.00 0.07 0.00 0.00 59.98 59.47 3h5a h ARG 94 Cb 0.41 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 3h5a h ARG 94 CO 0.00 1.15 -0.16 -0.91 -1.07 0.00 0.00 179.97 178.98 3h5a h ASN 95 N 0.25 0.46 -0.98 7.04 2.35 -1.59 -3.13 115.58 119.98 3h5a h ASN 95 Ca -0.09 -0.13 0.14 0.00 -0.55 0.00 0.00 56.30 55.67 3h5a h ASN 95 Cb 1.63 -0.12 -0.09 0.00 0.05 0.00 0.00 38.32 39.78 3h5a h ASN 95 CO 0.17 0.65 0.59 -0.26 -1.65 0.00 0.00 177.43 176.94 3h5a h PHE 96 N 0.43 1.06 -0.38 1.19 -1.00 -1.31 0.44 116.94 117.38 3h5a h PHE 96 Ca 0.08 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.87 3h5a h PHE 96 Cb 0.54 -0.33 -0.02 0.00 3.61 0.00 0.00 35.95 39.76 3h5a h PHE 96 CO 0.02 0.35 0.17 -0.07 -1.61 0.00 0.00 178.31 177.17 3h5a h LEU 97 N 0.87 0.50 -0.14 1.54 3.38 -1.60 0.37 115.31 120.23 3h5a h LEU 97 Ca 0.51 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.38 3h5a h LEU 97 Cb 0.63 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 3h5a h LEU 97 CO -0.31 0.50 -0.12 -0.74 0.09 0.00 0.00 178.44 177.86 3h5a h HIS 98 N 0.47 -0.31 -0.97 1.13 2.76 -1.14 0.18 115.15 117.27 3h5a h HIS 98 Ca 0.13 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 3h5a h HIS 98 Cb 0.14 0.16 -0.05 0.00 1.55 0.00 0.00 27.41 29.21 3h5a h HIS 98 CO -0.01 -0.19 0.62 1.88 -1.30 0.00 0.00 177.93 178.93 3h5a h TYR 99 N -0.14 1.25 -0.47 5.26 0.05 -0.76 -2.44 116.97 119.72 3h5a h TYR 99 Ca 0.09 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.89 3h5a h TYR 99 Cb 0.28 -0.42 -0.02 0.00 1.01 0.00 0.00 36.73 37.58 3h5a h TYR 99 CO -0.25 0.81 0.28 1.96 -1.05 0.00 0.00 178.16 179.91 3h5a h GLN 100 N 1.33 0.64 0.00 4.88 4.20 -0.18 -0.98 115.11 125.00 3h5a h GLN 100 Ca 0.35 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.00 3h5a h GLN 100 Cb -0.11 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.54 3h5a h GLN 100 CO -0.07 0.47 0.00 0.66 -0.67 0.00 0.00 178.83 179.22 3h5a h SER 101 N 0.62 0.00 0.16 1.46 4.64 -0.21 0.13 113.55 120.36 3h5a h SER 101 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3h5a h SER 101 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3h5a h SER 101 CO -0.03 0.00 -0.22 -1.22 -0.87 0.00 0.00 176.83 174.48 3h5a n TYR 102 N -2.75 0.00 -0.39 4.77 4.02 -0.43 -4.80 117.16 117.58 3h5a n TYR 102 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3h5a n TYR 102 Cb 0.18 -0.09 0.00 0.00 -0.02 0.00 0.00 39.34 39.41 3h5a n TYR 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3h5a n GLY 103 N 1.32 0.79 3.90 2.72 0.00 0.45 -4.96 105.19 109.40 3h5a n GLY 103 Ca 0.13 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 3h5a n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h5a n ALA 104 N -0.83 -0.36 -3.40 4.61 0.00 -0.87 -5.02 120.51 114.64 3h5a n ALA 104 Ca 0.00 -1.90 -0.38 0.00 0.00 0.00 0.00 53.44 51.16 3h5a n ALA 104 Cb 0.00 0.19 -0.12 0.00 0.00 0.00 0.00 19.45 19.53 3h5a n ALA 104 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3h5a s ASN 105 N -5.34 5.36 0.46 0.00 3.84 -1.26 -4.43 114.94 113.56 3h5a s ASN 105 Ca 0.70 -1.45 0.21 0.00 0.21 0.00 0.00 52.86 52.53 3h5a s ASN 105 Cb -0.03 -1.88 1.21 0.00 -0.55 0.00 0.00 41.25 39.99 3h5a s ASN 105 CO 0.47 -0.43 1.89 1.55 -2.79 0.00 0.00 177.10 177.79 3h5a h PRO 106 N 8.22 0.26 -0.69 0.43 0.13 -1.85 0.01 132.00 138.51 3h5a h PRO 106 Ca -0.21 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 64.86 3h5a h PRO 106 Cb 1.07 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.12 3h5a h PRO 106 CO 0.66 0.17 0.23 0.28 -0.23 0.00 0.00 178.00 179.12 3h5a h VAL 107 N 0.27 1.25 -0.14 1.56 2.07 -1.94 -1.27 116.25 118.04 3h5a h VAL 107 Ca 0.42 -0.84 -0.14 0.00 0.82 0.00 0.00 66.70 66.96 3h5a h VAL 107 Cb 1.23 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 3h5a h VAL 107 CO -0.11 0.33 -0.50 -0.07 0.02 0.00 0.00 177.57 177.24 3h5a h LEU 108 N 1.00 0.42 -0.32 2.57 3.38 -1.44 -1.84 115.31 119.06 3h5a h LEU 108 Ca 0.22 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 3h5a h LEU 108 Cb 0.27 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3h5a h LEU 108 CO -0.01 0.85 -0.06 0.58 0.09 0.00 0.00 178.44 179.88 3h5a h VAL 109 N 0.30 1.28 -0.18 1.22 2.07 -1.18 -1.07 116.25 118.69 3h5a h VAL 109 Ca 0.01 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.44 3h5a h VAL 109 Cb 0.98 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 3h5a h VAL 109 CO 0.08 0.36 0.11 1.56 0.02 0.00 0.00 177.57 179.70 3h5a h GLN 110 N 0.40 0.24 -0.29 1.57 1.08 -1.10 -2.02 115.11 114.98 3h5a h GLN 110 Ca 0.08 -0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.31 3h5a h GLN 110 Cb 0.55 -0.05 -0.07 0.00 -0.05 0.00 0.00 27.48 27.86 3h5a h GLN 110 CO 0.03 0.18 -0.52 -0.44 -0.95 0.00 0.00 178.83 177.13 3h5a h ASP 111 N 0.22 -1.71 -0.91 1.46 3.32 -1.30 0.26 116.42 117.76 3h5a h ASP 111 Ca 0.06 0.22 0.19 0.00 0.02 0.00 0.00 57.03 57.52 3h5a h ASP 111 Cb -0.00 0.69 -0.07 0.00 0.22 0.00 0.00 39.33 40.17 3h5a h ASP 111 CO -0.01 -0.41 0.59 0.11 -1.72 0.00 0.00 179.24 177.80 3h5a h LYS 112 N -0.44 0.49 -0.21 3.56 1.57 -0.86 0.15 116.57 120.83 3h5a h LYS 112 Ca 0.05 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.67 3h5a h LYS 112 Cb 0.59 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.79 3h5a h LYS 112 CO -0.51 0.32 -0.39 -0.07 -0.57 0.00 0.00 179.45 178.23 3h5a h LEU 113 N 0.50 0.71 -0.61 2.94 3.38 -0.59 -3.03 115.31 118.61 3h5a h LEU 113 Ca 0.48 -0.54 0.05 0.00 0.09 0.00 0.00 57.88 57.95 3h5a h LEU 113 Cb 1.05 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.55 3h5a h LEU 113 CO -0.21 1.12 0.35 0.50 0.09 0.00 0.00 178.44 180.29 3h5a h LYS 114 N 0.32 0.64 -0.52 1.13 1.63 0.21 -0.55 116.57 119.44 3h5a h LYS 114 Ca 0.01 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 3h5a h LYS 114 Cb 0.99 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.47 3h5a h LYS 114 CO 0.09 0.43 0.00 0.09 -3.45 0.00 0.00 179.45 176.60 3h5a n ASN 115 N -4.79 2.09 -4.93 4.20 3.02 -0.09 -3.44 115.26 111.33 3h5a n ASN 115 Ca 0.07 -2.15 -0.20 0.00 -0.03 0.00 0.00 54.58 52.27 3h5a n ASN 115 Cb 0.13 -0.35 -0.02 0.00 -0.61 0.00 0.00 39.78 38.94 3h5a n ASN 115 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h5a s ALA 116 N -1.64 4.12 -0.05 5.41 0.00 -1.05 -5.02 121.76 123.53 3h5a s ALA 116 Ca 0.20 -1.62 -0.02 0.00 0.00 0.00 0.00 51.96 50.53 3h5a s ALA 116 Cb 0.13 -1.40 0.03 0.00 0.00 0.00 0.00 23.12 21.88 3h5a s ALA 116 CO 0.10 -0.08 0.08 0.21 0.00 0.00 0.00 175.76 176.08 3h5a s LYS 117 N -4.13 -0.01 -0.03 0.00 2.20 -1.26 -2.79 119.74 113.72 3h5a s LYS 117 Ca 0.45 0.35 0.05 0.00 -0.36 0.00 0.00 55.97 56.46 3h5a s LYS 117 Cb -0.07 -0.32 -0.01 0.00 -1.51 0.00 0.00 37.83 35.92 3h5a s LYS 117 CO 0.29 -0.24 -0.18 0.08 -0.36 0.00 0.00 175.35 174.94 3h5a s VAL 118 N 1.63 1.45 -0.19 4.02 1.01 -0.18 -1.82 120.40 126.33 3h5a s VAL 118 Ca -0.03 -0.76 -0.07 0.00 0.00 0.00 0.00 61.98 61.12 3h5a s VAL 118 Cb -0.12 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 3h5a s VAL 118 CO -0.04 0.41 0.06 -0.69 0.00 0.00 0.00 175.10 174.85 3h5a s VAL 119 N -0.20 4.75 -0.32 2.92 1.01 -0.99 -1.29 120.40 126.28 3h5a s VAL 119 Ca 0.02 -0.04 -0.12 0.00 0.00 0.00 0.00 61.98 61.84 3h5a s VAL 119 Cb -0.09 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 3h5a s VAL 119 CO 0.01 0.45 0.21 -0.63 0.00 0.00 0.00 175.10 175.13 3h5a s ILE 120 N 0.47 5.07 -0.77 2.22 -1.09 0.46 -0.51 121.20 127.05 3h5a s ILE 120 Ca 0.03 -0.22 -0.07 0.00 -2.23 0.00 0.00 60.65 58.15 3h5a s ILE 120 Cb -0.13 -3.57 0.20 0.00 -1.58 0.00 0.00 42.46 37.38 3h5a s ILE 120 CO 0.01 0.05 0.65 -0.22 -1.23 0.00 0.00 174.94 174.20 3h5a s LEU 121 N 1.69 5.91 0.00 2.97 0.20 -0.15 -1.91 118.68 127.40 3h5a s LEU 121 Ca 0.06 -2.96 0.00 0.00 0.69 0.00 0.00 54.13 51.92 3h5a s LEU 121 Cb -0.17 -2.01 0.00 0.00 -0.43 0.00 0.00 46.19 43.57 3h5a s LEU 121 CO 0.09 -0.41 0.00 0.61 -0.29 0.00 0.00 176.35 176.35 3h5a n GLY 122 N 3.46 1.95 2.20 7.98 0.00 -0.70 -3.23 105.19 116.85 3h5a n GLY 122 Ca 0.13 -0.72 -0.28 0.00 0.00 0.00 0.00 46.02 45.15 3h5a n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h5a s GLY 124 N -1.34 3.00 0.00 0.00 0.00 -1.26 -4.32 107.32 103.40 3h5a s GLY 124 Ca 0.56 -3.74 0.00 0.00 0.00 0.00 0.00 44.72 41.54 3h5a s GLY 124 CO 0.03 1.20 0.00 0.61 0.00 0.00 0.00 173.10 174.94 3h5a n GLY 125 N 2.59 1.76 0.10 0.20 0.00 -1.26 -4.54 105.19 104.03 3h5a n GLY 125 Ca 0.19 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 3h5a n GLY 125 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3h5a h ILE 126 N 0.00 1.01 -0.77 -0.61 2.04 -1.90 0.12 117.51 117.40 3h5a h ILE 126 Ca 0.00 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 3h5a h ILE 126 Cb 0.00 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 3h5a h ILE 126 CO 0.00 0.11 0.44 1.23 0.00 0.00 0.00 178.15 179.93 3h5a h GLY 127 N -0.34 1.14 -0.27 5.37 0.00 -1.80 0.15 103.07 107.32 3h5a h GLY 127 Ca -0.01 -0.50 0.03 0.00 0.00 0.00 0.00 47.33 46.85 3h5a h GLY 127 CO 0.02 0.48 -0.27 -0.57 0.00 0.00 0.00 176.54 176.20 3h5a h ASN 128 N 1.06 -0.92 -0.75 0.19 -0.00 -1.71 0.59 115.58 114.04 3h5a h ASN 128 Ca 0.27 0.13 0.02 0.00 -0.00 0.00 0.00 56.30 56.72 3h5a h ASN 128 Cb 0.00 0.39 -0.04 0.00 -0.00 0.00 0.00 38.32 38.66 3h5a h ASN 128 CO -0.05 -0.17 0.48 -0.74 -0.00 0.00 0.00 177.43 176.96 3h5a h HIS 129 N -0.14 0.91 -0.84 0.67 2.76 -0.62 -2.38 115.15 115.51 3h5a h HIS 129 Ca 0.04 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.26 3h5a h HIS 129 Cb 0.26 -0.30 -0.04 0.00 1.55 0.00 0.00 27.41 28.87 3h5a h HIS 129 CO -0.74 0.54 0.56 0.28 -1.30 0.00 0.00 177.93 177.26 3h5a h VAL 130 N 0.96 1.18 -0.67 5.26 2.07 -0.25 -2.58 116.25 122.22 3h5a h VAL 130 Ca 0.29 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 3h5a h VAL 130 Cb -0.03 -0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 29.69 3h5a h VAL 130 CO -0.09 0.20 0.19 0.77 0.02 0.00 0.00 177.57 178.66 3h5a h SER 131 N 1.10 0.99 0.07 0.57 4.64 -0.36 -1.76 113.55 118.80 3h5a h SER 131 Ca 0.32 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3h5a h SER 131 Cb -0.05 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.77 3h5a h SER 131 CO -0.08 0.95 -0.06 0.58 -0.87 0.00 0.00 176.83 177.35 3h5a h VAL 132 N 0.99 0.86 -0.54 0.95 2.07 -1.35 0.29 116.25 119.52 3h5a h VAL 132 Ca 0.21 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.81 3h5a h VAL 132 Cb 0.33 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 3h5a h VAL 132 CO -0.00 0.00 0.19 0.40 0.02 0.00 0.00 177.57 178.18 3h5a h ILE 133 N -0.14 0.80 -0.42 4.57 2.04 -1.43 -0.32 117.51 122.61 3h5a h ILE 133 Ca 0.00 -0.13 -0.11 0.00 1.00 0.00 0.00 64.86 65.62 3h5a h ILE 133 Cb 0.13 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 3h5a h ILE 133 CO -0.01 0.07 -0.17 -0.07 0.00 0.00 0.00 178.15 177.96 3h5a h LEU 134 N 0.37 0.89 -0.40 1.44 3.38 -0.91 -1.82 115.31 118.25 3h5a h LEU 134 Ca 0.26 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.86 3h5a h LEU 134 Cb 0.30 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3h5a h LEU 134 CO -0.27 1.08 0.25 0.00 0.09 0.00 0.00 178.44 179.58 3h5a h ALA 135 N 0.84 0.51 0.00 1.53 0.00 -0.08 -2.06 119.26 119.99 3h5a h ALA 135 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3h5a h ALA 135 Cb 0.73 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3h5a h ALA 135 CO 0.06 -0.08 0.00 1.79 0.00 0.00 0.00 179.25 181.02 3h5a h THR 136 N 0.50 0.00 -0.00 0.00 1.35 -0.95 -2.75 112.91 111.05 3h5a h THR 136 Ca 0.16 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 3h5a h THR 136 Cb -0.01 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 3h5a h THR 136 CO -0.06 0.00 -0.20 -1.20 -0.25 0.00 0.00 175.52 173.81 3h5a n SER 137 N -2.57 0.27 0.00 5.36 7.64 -0.69 -4.96 113.62 118.66 3h5a n SER 137 Ca 0.04 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.95 3h5a n SER 137 Cb 0.43 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 3h5a n SER 137 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h5a n GLY 138 N 1.46 1.03 3.67 0.23 0.00 -1.04 -5.02 105.19 105.52 3h5a n GLY 138 Ca 0.08 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.62 3h5a n GLY 138 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3h5a n ILE 139 N -1.94 0.27 0.22 -0.61 2.08 -0.79 -3.48 119.36 115.10 3h5a n ILE 139 Ca 0.00 -0.05 0.07 0.00 0.56 0.00 0.00 62.75 63.33 3h5a n ILE 139 Cb 0.00 -1.61 0.49 0.00 -0.75 0.00 0.00 39.64 37.78 3h5a n ILE 139 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 3h5a h GLY 140 N 7.30 0.00 -5.08 7.39 0.00 -1.13 -3.45 103.07 108.10 3h5a h GLY 140 Ca -0.47 0.00 0.02 0.00 0.00 0.00 0.00 47.33 46.88 3h5a h GLY 140 CO 0.91 0.00 -0.05 1.85 0.00 0.00 0.00 176.54 179.25 3h5a s GLU 141 N -4.18 0.65 0.04 4.80 2.12 -1.12 -2.60 118.70 118.40 3h5a s GLU 141 Ca -0.03 1.23 0.09 0.00 0.36 0.00 0.00 54.97 56.62 3h5a s GLU 141 Cb 0.14 0.26 -0.03 0.00 0.26 0.00 0.00 34.13 34.76 3h5a s GLU 141 CO 0.67 -0.16 -0.25 0.42 -0.54 0.00 0.00 175.26 175.40 3h5a s ILE 142 N 1.87 2.23 -0.18 -3.70 1.09 -0.98 -1.01 121.20 120.53 3h5a s ILE 142 Ca -0.09 -1.33 0.01 0.00 -1.10 0.00 0.00 60.65 58.14 3h5a s ILE 142 Cb -0.07 -1.87 0.03 0.00 -1.06 0.00 0.00 42.46 39.49 3h5a s ILE 142 CO -0.19 0.39 -0.16 -0.63 -0.10 0.00 0.00 174.94 174.25 3h5a s ILE 143 N -0.80 1.87 -0.18 2.92 1.01 -0.41 -1.94 121.20 123.67 3h5a s ILE 143 Ca 0.12 -0.94 -0.13 0.00 0.00 0.00 0.00 60.65 59.71 3h5a s ILE 143 Cb -0.10 -1.77 -0.05 0.00 0.01 0.00 0.00 42.46 40.55 3h5a s ILE 143 CO 0.02 0.40 0.25 -0.76 0.00 0.00 0.00 174.94 174.86 3h5a s LEU 144 N 1.34 4.22 -0.42 2.97 1.43 0.12 -0.40 118.68 127.93 3h5a s LEU 144 Ca 0.03 0.41 0.02 0.00 -1.03 0.00 0.00 54.13 53.55 3h5a s LEU 144 Cb -0.14 -2.30 0.13 0.00 0.03 0.00 0.00 46.19 43.91 3h5a s LEU 144 CO -0.11 0.10 0.23 -0.63 0.23 0.00 0.00 176.35 176.16 3h5a s ILE 145 N 0.58 1.14 0.04 -0.59 1.01 -0.80 -0.93 121.20 121.65 3h5a s ILE 145 Ca 0.14 -2.34 -0.15 0.00 0.00 0.00 0.00 60.65 58.30 3h5a s ILE 145 Cb -0.13 -1.81 0.02 0.00 0.01 0.00 0.00 42.46 40.56 3h5a s ILE 145 CO 0.03 -0.90 0.33 -0.62 0.00 0.00 0.00 174.94 173.78 3h5a s ASP 146 N 0.55 -0.17 -0.12 3.58 -1.08 -1.17 -1.72 116.67 116.54 3h5a s ASP 146 Ca 0.17 -0.12 0.15 0.00 -0.52 0.00 0.00 52.55 52.23 3h5a s ASP 146 Cb -0.24 0.37 0.33 0.00 -1.46 0.00 0.00 42.92 41.92 3h5a s ASP 146 CO -0.00 -0.61 1.16 -3.20 0.52 0.00 0.00 175.17 173.04 3h5a n ASN 147 N 0.62 1.48 -4.88 -0.34 4.05 -1.24 -3.27 115.26 111.68 3h5a n ASN 147 Ca -0.19 -3.03 -0.21 0.00 0.45 0.00 0.00 54.58 51.61 3h5a n ASN 147 Cb 0.59 -0.41 -0.03 0.00 1.23 0.00 0.00 39.78 41.16 3h5a n ASN 147 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 3h5a s ASP 148 N -2.57 5.42 0.01 1.20 1.01 -1.26 -4.94 116.67 115.53 3h5a s ASP 148 Ca 0.31 -0.43 0.02 0.00 0.71 0.00 0.00 52.55 53.15 3h5a s ASP 148 Cb 0.30 -1.03 -0.04 0.00 1.01 0.00 0.00 42.92 43.16 3h5a s ASP 148 CO -0.06 -0.36 -0.01 -1.10 0.21 0.00 0.00 175.17 173.85 3h5a s GLN 149 N -4.02 2.72 -0.25 8.23 1.11 -1.26 -2.49 119.66 123.69 3h5a s GLN 149 Ca 0.41 -0.65 -0.28 0.00 0.01 0.00 0.00 55.36 54.85 3h5a s GLN 149 Cb -0.06 -2.63 -0.04 0.00 -1.01 0.00 0.00 33.01 29.27 3h5a s GLN 149 CO 0.27 0.61 1.98 0.42 0.01 0.00 0.00 175.29 178.58 3h5a s ILE 150 N -1.09 3.27 0.53 1.08 1.01 0.72 -4.81 121.20 121.91 3h5a s ILE 150 Ca 0.20 0.28 -0.07 0.00 0.00 0.00 0.00 60.65 61.06 3h5a s ILE 150 Cb -0.11 -3.34 -0.03 0.00 0.01 0.00 0.00 42.46 38.98 3h5a s ILE 150 CO 0.10 -0.20 0.86 -1.61 0.00 0.00 0.00 174.94 174.10 3h5a s GLU 151 N 5.81 3.51 0.27 2.79 2.02 -1.26 -0.23 118.70 131.60 3h5a s GLU 151 Ca 0.89 0.34 -0.04 0.00 0.02 0.00 0.00 54.97 56.18 3h5a s GLU 151 Cb -0.28 -2.28 0.33 0.00 0.10 0.00 0.00 34.13 32.00 3h5a s GLU 151 CO 0.34 -0.35 1.90 -0.97 0.02 0.00 0.00 175.26 176.20 3h5a h ASN 152 N 0.04 1.00 0.97 -0.19 -1.24 -1.97 -2.74 115.58 111.46 3h5a h ASN 152 Ca -0.46 -0.08 0.00 0.00 0.71 0.00 0.00 56.30 56.47 3h5a h ASN 152 Cb 1.20 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 40.00 3h5a h ASN 152 CO 0.62 0.80 0.00 1.07 -1.29 0.00 0.00 177.43 178.62 3h5a n THR 153 N -4.35 0.62 1.28 -3.57 5.66 -1.26 -2.74 114.28 109.93 3h5a n THR 153 Ca 0.09 0.03 0.14 0.00 -3.05 0.00 0.00 64.05 61.25 3h5a n THR 153 Cb 0.09 -0.82 0.69 0.00 -1.55 0.00 0.00 70.33 68.74 3h5a n THR 153 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 3h5a n ASN 154 N -1.96 0.00 0.27 1.09 5.03 -1.03 -3.88 115.26 114.77 3h5a n ASN 154 Ca 0.04 -0.03 0.16 0.00 0.87 0.00 0.00 54.58 55.62 3h5a n ASN 154 Cb 0.30 -0.32 0.65 0.00 -1.02 0.00 0.00 39.78 39.39 3h5a n ASN 154 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 3h5a h LEU 155 N 0.00 0.00 -0.85 3.41 3.38 -1.67 -2.62 115.31 116.97 3h5a h LEU 155 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3h5a h LEU 155 Cb 0.30 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3h5a h LEU 155 CO 0.00 0.05 -0.18 0.74 0.09 0.00 0.00 178.44 179.14 3h5a h THR 156 N 0.00 1.26 0.00 0.22 2.02 -1.84 -3.36 112.91 111.22 3h5a h THR 156 Ca -0.00 -1.23 -0.09 0.00 0.77 0.00 0.00 66.41 65.86 3h5a h THR 156 Cb 0.55 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 68.13 3h5a h THR 156 CO 0.01 0.41 -1.71 -2.11 0.37 0.00 0.00 175.52 172.49 3h5a n ARG 157 N -4.14 1.06 -3.21 6.66 1.85 -1.12 -4.80 116.66 112.96 3h5a n ARG 157 Ca 0.00 -0.07 -0.41 0.00 -1.00 0.00 0.00 57.85 56.37 3h5a n ARG 157 Cb 0.39 -1.32 -0.01 0.00 -1.05 0.00 0.00 32.46 30.47 3h5a n ARG 157 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 3h5a n GLN 158 N -2.17 3.82 0.00 2.89 6.02 -1.00 -4.84 117.38 122.09 3h5a n GLN 158 Ca -0.10 -4.54 0.00 0.00 -0.01 0.00 0.00 57.00 52.35 3h5a n GLN 158 Cb 0.58 -2.48 0.00 0.00 1.02 0.00 0.00 30.24 29.36 3h5a n GLN 158 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3h5a n VAL 159 N 1.71 0.00 0.95 5.09 0.31 -1.26 -2.14 118.33 122.98 3h5a n VAL 159 Ca 0.25 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.68 3h5a n VAL 159 Cb 0.36 -1.00 -0.12 0.00 -0.91 0.00 0.00 33.84 32.17 3h5a n VAL 159 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3h5a n LEU 160 N -0.58 0.95 -4.76 7.52 4.77 -1.26 -5.01 117.00 118.63 3h5a n LEU 160 Ca 0.00 -0.48 -0.36 0.00 -0.03 0.00 0.00 56.01 55.15 3h5a n LEU 160 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 3h5a n LEU 160 CO 0.00 0.24 -0.22 -0.36 -1.33 0.00 0.00 177.39 175.72 3h5a s PHE 161 N -3.01 3.41 0.58 -1.77 2.99 -0.91 -5.02 117.98 114.24 3h5a s PHE 161 Ca 0.07 0.33 -0.08 0.00 0.00 0.00 0.00 56.93 57.25 3h5a s PHE 161 Cb 0.16 -1.98 -0.02 0.00 0.00 0.00 0.00 43.02 41.18 3h5a s PHE 161 CO 0.87 0.48 0.92 -1.12 -0.00 0.00 0.00 175.22 176.37 3h5a s SER 162 N -0.45 5.98 0.37 1.36 0.01 -1.26 -4.99 113.70 114.72 3h5a s SER 162 Ca 0.11 1.04 0.06 0.00 1.31 0.00 0.00 55.95 58.46 3h5a s SER 162 Cb -0.12 -2.13 0.75 0.00 0.21 0.00 0.00 66.02 64.73 3h5a s SER 162 CO 0.02 -0.88 1.98 -0.33 0.41 0.00 0.00 173.24 174.44 3h5a h GLU 163 N -0.14 0.72 -1.01 12.44 5.08 -2.00 -1.63 114.58 128.04 3h5a h GLU 163 Ca -0.45 -0.04 0.23 0.00 -1.00 0.00 0.00 59.36 58.09 3h5a h GLU 163 Cb 1.22 -0.16 -0.12 0.00 0.50 0.00 0.00 28.75 30.19 3h5a h GLU 163 CO 0.62 0.47 0.61 0.22 -1.00 0.00 0.00 179.01 179.93 3h5a h ASP 164 N 0.74 0.68 0.84 1.42 3.58 -2.04 -2.98 116.42 118.66 3h5a h ASP 164 Ca 0.28 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.85 3h5a h ASP 164 Cb 0.18 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.23 3h5a h ASP 164 CO -0.08 0.15 0.00 0.47 -2.88 0.00 0.00 179.24 176.89 3h5a n ASP 165 N -4.82 0.63 -4.66 2.28 8.00 -0.61 -4.84 116.55 112.52 3h5a n ASP 165 Ca 0.26 0.63 -0.44 0.00 0.71 0.00 0.00 54.79 55.95 3h5a n ASP 165 Cb 0.71 -0.77 -0.02 0.00 -0.02 0.00 0.00 41.12 41.02 3h5a n ASP 165 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3h5a n VAL 166 N -2.17 1.49 0.00 2.53 3.14 -1.13 -1.95 118.33 120.24 3h5a n VAL 166 Ca 0.03 -0.37 0.00 0.00 -2.96 0.00 0.00 64.34 61.04 3h5a n VAL 166 Cb 0.26 -1.39 0.00 0.00 -1.06 0.00 0.00 33.84 31.65 3h5a n VAL 166 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3h5a n GLY 167 N 1.50 2.91 3.53 7.55 0.00 0.68 -4.99 105.19 116.37 3h5a n GLY 167 Ca 0.09 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 3h5a n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h5a s LYS 168 N 0.00 -0.87 -0.16 1.61 1.02 -0.82 -4.38 119.74 116.13 3h5a s LYS 168 Ca 0.00 0.58 -0.29 0.00 0.02 0.00 0.00 55.97 56.27 3h5a s LYS 168 Cb 0.00 -1.58 -0.01 0.00 -0.52 0.00 0.00 37.83 35.72 3h5a s LYS 168 CO 0.00 -3.62 1.15 -0.80 -0.92 0.00 0.00 175.35 171.16 3h5a s ASN 169 N -2.95 7.05 0.12 2.83 0.01 -1.26 -0.20 114.94 120.54 3h5a s ASN 169 Ca 0.68 1.58 -0.23 0.00 -0.71 0.00 0.00 52.86 54.18 3h5a s ASN 169 Cb -0.21 -2.54 -0.05 0.00 0.41 0.00 0.00 41.25 38.85 3h5a s ASN 169 CO 0.61 -0.66 1.28 0.29 -1.51 0.00 0.00 177.10 177.11 3h5a n LYS 170 N 6.10 -0.32 -0.30 -0.60 5.02 -1.04 -0.69 118.16 126.33 3h5a n LYS 170 Ca 0.12 1.26 0.11 0.00 -2.02 0.00 0.00 58.31 57.78 3h5a n LYS 170 Cb 0.46 -1.86 0.24 0.00 -0.02 0.00 0.00 35.03 33.85 3h5a n LYS 170 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h5a h THR 171 N 0.00 0.22 -0.03 -0.18 1.03 -1.84 -2.88 112.91 109.23 3h5a h THR 171 Ca 0.12 -0.03 -0.26 0.00 -0.01 0.00 0.00 66.41 66.22 3h5a h THR 171 Cb 0.30 0.11 0.02 0.00 -1.07 0.00 0.00 68.15 67.51 3h5a h THR 171 CO -0.69 0.02 -0.99 -0.08 -0.01 0.00 0.00 175.52 173.76 3h5a h GLU 172 N 0.10 0.72 0.09 0.00 4.81 -1.30 -2.86 114.58 116.13 3h5a h GLU 172 Ca 0.52 -0.73 -0.00 0.00 -0.13 0.00 0.00 59.36 59.01 3h5a h GLU 172 Cb 1.01 0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3h5a h GLU 172 CO -0.75 1.31 -0.04 0.28 -0.73 0.00 0.00 179.01 179.08 3h5a h VAL 173 N 0.42 0.95 0.00 0.32 2.07 -1.25 -2.90 116.25 115.87 3h5a h VAL 173 Ca -0.11 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 67.21 3h5a h VAL 173 Cb 1.64 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 3h5a h VAL 173 CO 0.20 0.03 -0.26 0.16 0.02 0.00 0.00 177.57 177.72 3h5a h ILE 174 N -0.18 0.95 -0.69 4.57 3.07 -1.51 0.42 117.51 124.13 3h5a h ILE 174 Ca -0.01 -0.98 -0.01 0.00 1.55 0.00 0.00 64.86 65.41 3h5a h ILE 174 Cb 0.14 1.56 -0.03 0.00 -0.27 0.00 0.00 36.82 38.23 3h5a h ILE 174 CO 0.02 0.26 0.39 0.50 -1.05 0.00 0.00 178.15 178.27 3h5a h LYS 175 N 0.00 0.96 -0.01 0.16 3.64 -1.43 0.31 116.57 120.21 3h5a h LYS 175 Ca -0.00 -0.11 -0.13 0.00 -1.27 0.00 0.00 60.65 59.14 3h5a h LYS 175 Cb 0.54 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 3h5a h LYS 175 CO 0.03 0.71 -0.60 0.07 -2.27 0.00 0.00 179.45 177.39 3h5a h ARG 176 N 0.95 0.02 -0.24 1.90 0.11 -0.74 -2.38 114.38 114.00 3h5a h ARG 176 Ca 0.25 -0.01 -0.09 0.00 0.10 0.00 0.00 59.98 60.22 3h5a h ARG 176 Cb 0.02 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.10 3h5a h ARG 176 CO -0.04 0.61 -0.21 0.93 0.10 0.00 0.00 179.97 181.36 3h5a h GLU 177 N 0.01 0.56 0.00 0.08 4.39 -1.17 -1.64 114.58 116.81 3h5a h GLU 177 Ca -0.01 -0.29 -0.03 0.00 0.34 0.00 0.00 59.36 59.38 3h5a h GLU 177 Cb 1.06 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.71 3h5a h GLU 177 CO 0.08 0.87 -0.12 -0.07 -1.16 0.00 0.00 179.01 178.60 3h5a h LEU 178 N 0.26 0.00 0.03 1.33 3.38 -0.85 -1.75 115.31 117.71 3h5a h LEU 178 Ca 0.04 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.75 3h5a h LEU 178 Cb 0.76 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 3h5a h LEU 178 CO 0.05 0.12 -1.33 -0.07 0.09 0.00 0.00 178.44 177.31 3h5a h LEU 179 N 0.00 0.11 -0.78 1.67 4.07 -1.28 0.23 115.31 119.32 3h5a h LEU 179 Ca -0.00 -0.14 -0.06 0.00 0.08 0.00 0.00 57.88 57.76 3h5a h LEU 179 Cb 0.32 -0.03 -0.03 0.00 1.08 0.00 0.00 40.66 42.00 3h5a h LEU 179 CO 0.02 1.12 0.24 0.11 -1.08 0.00 0.00 178.44 178.85 3h5a h LYS 180 N 0.02 1.16 0.19 1.13 1.57 -1.05 -2.55 116.57 117.03 3h5a h LYS 180 Ca -0.15 -0.24 -0.31 0.00 -1.87 0.00 0.00 60.65 58.08 3h5a h LYS 180 Cb 1.90 -0.17 0.02 0.00 0.08 0.00 0.00 32.23 34.06 3h5a h LYS 180 CO 0.13 0.98 -1.40 0.00 -0.57 0.00 0.00 179.45 178.58 3h5a h ARG 181 N 1.11 0.40 -2.18 3.15 3.08 -1.29 -3.43 114.38 115.22 3h5a h ARG 181 Ca 0.24 -0.68 -0.40 0.00 0.07 0.00 0.00 59.98 59.22 3h5a h ARG 181 Cb 0.30 0.25 -0.34 0.00 0.08 0.00 0.00 29.97 30.26 3h5a h ARG 181 CO -0.01 1.32 -0.70 1.21 -1.07 0.00 0.00 179.97 180.72 3h5a s ASN 182 N -7.34 1.81 0.24 7.04 3.84 0.79 -4.97 114.94 116.35 3h5a s ASN 182 Ca -0.07 -1.37 0.24 0.00 0.21 0.00 0.00 52.86 51.87 3h5a s ASN 182 Cb 0.06 0.32 0.94 0.00 -0.55 0.00 0.00 41.25 42.02 3h5a s ASN 182 CO 0.91 -0.33 1.72 -1.54 -2.79 0.00 0.00 177.10 175.07 3h5a n SER 183 N 4.66 0.66 0.16 -4.21 3.41 -0.96 -2.63 113.62 114.71 3h5a n SER 183 Ca 0.05 0.64 0.02 0.00 -0.26 0.00 0.00 58.87 59.32 3h5a n SER 183 Cb 0.44 -0.79 0.26 0.00 -0.26 0.00 0.00 64.21 63.86 3h5a n SER 183 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3h5a h GLU 184 N 0.00 0.00 -6.72 4.33 5.08 -1.93 -3.46 114.58 111.88 3h5a h GLU 184 Ca 0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 3h5a h GLU 184 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3h5a h GLU 184 CO 0.00 0.50 0.01 0.96 -1.00 0.00 0.00 179.01 179.48 3h5a s ILE 185 N -3.70 4.90 -0.09 3.13 -4.36 -1.08 -5.08 121.20 114.93 3h5a s ILE 185 Ca -0.01 0.32 -0.01 0.00 -0.26 0.00 0.00 60.65 60.69 3h5a s ILE 185 Cb 0.12 -3.76 -0.03 0.00 1.25 0.00 0.00 42.46 40.05 3h5a s ILE 185 CO 0.73 -0.50 -0.04 -0.94 0.24 0.00 0.00 174.94 174.43 3h5a s SER 186 N -3.32 4.85 0.05 4.36 1.04 -1.07 -4.97 113.70 114.63 3h5a s SER 186 Ca 0.48 0.01 0.06 0.00 0.48 0.00 0.00 55.95 56.98 3h5a s SER 186 Cb -0.10 -1.37 -0.02 0.00 0.10 0.00 0.00 66.02 64.62 3h5a s SER 186 CO 0.33 0.33 -0.18 -0.69 0.98 0.00 0.00 173.24 174.01 3h5a s VAL 187 N -0.61 1.44 0.07 5.02 1.01 -1.26 -2.31 120.40 123.75 3h5a s VAL 187 Ca 0.09 -1.14 0.03 0.00 0.00 0.00 0.00 61.98 60.97 3h5a s VAL 187 Cb -0.12 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 3h5a s VAL 187 CO 0.02 0.10 -0.09 -0.44 0.00 0.00 0.00 175.10 174.69 3h5a s SER 188 N -1.21 1.17 0.07 3.32 0.01 -0.82 -5.00 113.70 111.25 3h5a s SER 188 Ca 0.05 -0.68 0.10 0.00 1.31 0.00 0.00 55.95 56.73 3h5a s SER 188 Cb -0.08 0.02 -0.03 0.00 0.21 0.00 0.00 66.02 66.13 3h5a s SER 188 CO 0.02 -0.22 -0.26 -1.61 0.41 0.00 0.00 173.24 171.58 3h5a s GLU 189 N -2.15 1.70 -0.18 12.44 2.02 -1.26 0.11 118.70 131.38 3h5a s GLU 189 Ca -0.02 -1.17 -0.04 0.00 0.02 0.00 0.00 54.97 53.75 3h5a s GLU 189 Cb -0.07 -1.98 0.06 0.00 0.10 0.00 0.00 34.13 32.25 3h5a s GLU 189 CO 0.00 0.50 0.06 0.42 0.02 0.00 0.00 175.26 176.26 3h5a s ILE 190 N -0.90 0.24 -1.00 -1.63 1.01 -0.10 -4.93 121.20 113.88 3h5a s ILE 190 Ca 0.13 -0.37 -0.13 0.00 0.00 0.00 0.00 60.65 60.28 3h5a s ILE 190 Cb -0.10 -0.81 -0.08 0.00 0.01 0.00 0.00 42.46 41.47 3h5a s ILE 190 CO 0.04 -0.24 2.15 0.00 0.00 0.00 0.00 174.94 176.89 3h5a n ALA 191 N 5.16 4.64 -3.34 9.38 0.00 -1.26 -3.05 120.51 132.03 3h5a n ALA 191 Ca -0.08 -2.82 -0.14 0.00 0.00 0.00 0.00 53.44 50.41 3h5a n ALA 191 Cb 0.48 -3.32 -0.15 0.00 0.00 0.00 0.00 19.45 16.46 3h5a n ALA 191 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3h5a s LEU 192 N 0.70 1.49 0.16 0.00 2.96 -1.20 -4.68 118.68 118.11 3h5a s LEU 192 Ca 0.50 0.04 0.07 0.00 -0.22 0.00 0.00 54.13 54.52 3h5a s LEU 192 Cb 0.13 -0.01 -0.04 0.00 0.50 0.00 0.00 46.19 46.77 3h5a s LEU 192 CO 0.01 -0.07 -0.02 0.20 -1.32 0.00 0.00 176.35 175.15 3h5a s ASN 193 N 0.56 4.69 -0.52 3.68 -0.87 -1.26 -3.56 114.94 117.67 3h5a s ASN 193 Ca -0.05 -0.40 -0.18 0.00 -1.57 0.00 0.00 52.86 50.67 3h5a s ASN 193 Cb -0.07 -0.98 0.08 0.00 -0.02 0.00 0.00 41.25 40.27 3h5a s ASN 193 CO -0.02 0.11 0.57 -0.63 -2.57 0.00 0.00 177.10 174.56 3h5a s ILE 194 N -1.63 4.99 -0.08 0.60 -1.09 -1.26 -4.84 121.20 117.89 3h5a s ILE 194 Ca 0.26 -0.87 0.15 0.00 -2.23 0.00 0.00 60.65 57.96 3h5a s ILE 194 Cb -0.10 -4.30 -0.22 0.00 -1.58 0.00 0.00 42.46 36.26 3h5a s ILE 194 CO 0.18 -0.83 0.21 0.59 -1.23 0.00 0.00 174.94 173.86 3h5a n ASN 195 N 5.85 1.31 -4.11 3.58 3.02 -1.26 -4.54 115.26 119.12 3h5a n ASN 195 Ca -0.10 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.30 3h5a n ASN 195 Cb 0.44 1.33 -0.12 0.00 -0.61 0.00 0.00 39.78 40.81 3h5a n ASN 195 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3h5a s ASP 196 N -4.32 1.24 0.32 6.41 1.01 -1.26 -5.00 116.67 115.07 3h5a s ASP 196 Ca -0.07 -0.55 0.08 0.00 0.71 0.00 0.00 52.55 52.73 3h5a s ASP 196 Cb 0.08 -0.02 0.94 0.00 1.01 0.00 0.00 42.92 44.93 3h5a s ASP 196 CO 0.64 -0.12 1.54 0.00 0.21 0.00 0.00 175.17 177.45 3h5a n TYR 197 N 1.50 0.80 0.32 4.23 9.36 -1.26 -0.27 117.16 131.84 3h5a n TYR 197 Ca -0.21 1.18 0.21 0.00 3.32 0.00 0.00 57.90 62.40 3h5a n TYR 197 Cb 0.55 -1.34 1.13 0.00 -0.63 0.00 0.00 39.34 39.04 3h5a n TYR 197 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3h5a h THR 198 N 0.00 0.00 0.00 2.97 1.03 -2.00 -2.50 112.91 112.41 3h5a h THR 198 Ca 0.67 0.00 -0.05 0.00 -0.01 0.00 0.00 66.41 67.02 3h5a h THR 198 Cb 1.55 0.92 -0.01 0.00 -1.07 0.00 0.00 68.15 69.54 3h5a h THR 198 CO -0.87 0.00 -0.25 0.44 -0.01 0.00 0.00 175.52 174.83 3h5a h ASP 199 N 0.00 0.00 0.04 0.00 3.32 -1.03 -2.82 116.42 115.94 3h5a h ASP 199 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3h5a h ASP 199 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3h5a h ASP 199 CO 0.00 0.25 0.00 -0.07 -1.72 0.00 0.00 179.24 177.70 3h5a h LEU 200 N 0.00 0.00 -1.25 1.55 3.38 -1.63 -0.82 115.31 116.54 3h5a h LEU 200 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h5a h LEU 200 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3h5a h LEU 200 CO 0.03 0.00 0.00 0.45 0.09 0.00 0.00 178.44 179.01 3h5a h HIS 201 N 0.00 0.00 0.00 1.13 3.86 -1.74 -2.33 115.15 116.06 3h5a h HIS 201 Ca 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3h5a h HIS 201 Cb 0.02 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.49 3h5a h HIS 201 CO 0.00 0.00 -0.56 0.87 0.86 0.00 0.00 177.93 179.10 3h5a h LYS 202 N 0.00 0.00 -6.18 2.45 1.57 -1.38 -3.45 116.57 109.58 3h5a h LYS 202 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 3h5a h LYS 202 Cb 0.38 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.64 3h5a h LYS 202 CO 0.00 0.01 0.67 0.08 -0.57 0.00 0.00 179.45 179.65 3h5a s VAL 203 N -3.29 4.73 0.93 0.50 1.01 -0.88 -5.02 120.40 118.38 3h5a s VAL 203 Ca 0.03 2.03 -0.12 0.00 0.00 0.00 0.00 61.98 63.92 3h5a s VAL 203 Cb 0.07 -4.31 0.15 0.00 0.00 0.00 0.00 36.38 32.30 3h5a s VAL 203 CO 0.74 -0.08 1.10 -2.16 0.00 0.00 0.00 175.10 174.70 3h5a s PRO 204 N 2.55 0.95 0.27 2.72 0.04 -1.26 -5.00 135.00 135.27 3h5a s PRO 204 Ca 0.47 0.60 -0.30 0.00 0.04 0.00 0.00 61.00 61.81 3h5a s PRO 204 Cb -0.17 -1.79 -0.09 0.00 0.04 0.00 0.00 34.50 32.49 3h5a s PRO 204 CO 0.13 -2.39 1.06 -2.00 0.04 0.00 0.00 177.00 173.83 3h5a s GLU 205 N -5.01 4.70 0.11 4.56 2.12 -1.26 -5.01 118.70 118.90 3h5a s GLU 205 Ca 0.64 1.72 -0.17 0.00 0.36 0.00 0.00 54.97 57.52 3h5a s GLU 205 Cb -0.17 -3.21 0.04 0.00 0.26 0.00 0.00 34.13 31.04 3h5a s GLU 205 CO 0.56 0.29 0.43 0.00 -0.54 0.00 0.00 175.26 176.01 3h5a s ALA 206 N -1.17 -1.03 0.29 6.30 0.00 -1.26 -5.04 121.76 119.85 3h5a s ALA 206 Ca 0.44 0.10 0.04 0.00 0.00 0.00 0.00 51.96 52.54 3h5a s ALA 206 Cb -0.30 0.63 0.74 0.00 0.00 0.00 0.00 23.12 24.18 3h5a s ALA 206 CO 0.39 -0.61 1.71 -0.44 0.00 0.00 0.00 175.76 176.81 3h5a h ASP 207 N 2.47 0.44 -5.07 0.00 3.32 -1.73 -3.43 116.42 112.41 3h5a h ASP 207 Ca -0.33 0.14 -0.04 0.00 0.02 0.00 0.00 57.03 56.82 3h5a h ASP 207 Cb 1.25 0.09 -0.12 0.00 0.22 0.00 0.00 39.33 40.77 3h5a h ASP 207 CO 0.45 0.06 -0.01 -0.51 -1.72 0.00 0.00 179.24 177.50 3h5a s ILE 208 N -5.87 0.05 -0.12 0.35 2.07 -1.24 -4.50 121.20 111.94 3h5a s ILE 208 Ca -0.11 -0.57 0.02 0.00 -1.41 0.00 0.00 60.65 58.57 3h5a s ILE 208 Cb 0.25 -1.27 -0.01 0.00 0.13 0.00 0.00 42.46 41.57 3h5a s ILE 208 CO 0.78 -0.22 -0.18 0.26 -1.91 0.00 0.00 174.94 173.67 3h5a s TRP 209 N -3.82 2.69 -0.35 3.50 0.52 -0.82 -2.34 118.94 118.33 3h5a s TRP 209 Ca 0.05 -0.87 -0.17 0.00 0.02 0.00 0.00 56.10 55.13 3h5a s TRP 209 Cb 0.01 -1.78 -0.00 0.00 -1.15 0.00 0.00 33.47 30.54 3h5a s TRP 209 CO -0.09 -0.33 0.47 0.08 0.02 0.00 0.00 176.95 177.09 3h5a s VAL 210 N 0.38 5.06 -0.45 4.03 1.01 0.33 -0.50 120.40 130.26 3h5a s VAL 210 Ca -0.14 0.23 -0.06 0.00 0.00 0.00 0.00 61.98 62.01 3h5a s VAL 210 Cb -0.17 -3.93 0.12 0.00 0.00 0.00 0.00 36.38 32.40 3h5a s VAL 210 CO 0.07 -0.19 0.28 -0.69 0.00 0.00 0.00 175.10 174.57 3h5a s VAL 211 N 2.28 3.74 -0.15 2.92 1.01 0.54 -0.98 120.40 129.75 3h5a s VAL 211 Ca 0.16 -1.96 -0.09 0.00 0.00 0.00 0.00 61.98 60.09 3h5a s VAL 211 Cb -0.16 -3.51 -0.07 0.00 0.00 0.00 0.00 36.38 32.65 3h5a s VAL 211 CO 0.13 -0.74 -0.22 -1.54 0.00 0.00 0.00 175.10 172.73 3h5a n SER 212 N 4.71 1.32 -2.56 3.32 3.41 -1.20 -2.15 113.62 120.46 3h5a n SER 212 Ca -0.04 0.22 -0.31 0.00 -0.26 0.00 0.00 58.87 58.48 3h5a n SER 212 Cb 0.41 -0.53 -0.03 0.00 -0.26 0.00 0.00 64.21 63.80 3h5a n SER 212 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h5a n ALA 213 N -3.86 -2.20 0.20 7.33 0.00 -1.25 -4.58 120.51 116.15 3h5a n ALA 213 Ca -0.28 0.30 0.11 0.00 0.00 0.00 0.00 53.44 53.57 3h5a n ALA 213 Cb 0.64 -0.97 0.15 0.00 0.00 0.00 0.00 19.45 19.27 3h5a n ALA 213 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3h5a h ASP 214 N 1.13 0.00 -4.25 0.00 2.03 -1.93 -3.46 116.42 109.93 3h5a h ASP 214 Ca -0.22 0.00 -0.69 0.00 -0.73 0.00 0.00 57.03 55.38 3h5a h ASP 214 Cb 0.83 0.00 -0.26 0.00 -0.83 0.00 0.00 39.33 39.07 3h5a h ASP 214 CO 0.35 0.02 -0.83 -2.28 -1.03 0.00 0.00 179.24 175.47 3h5a s HIS 215 N -3.21 2.50 0.79 4.15 5.04 -1.26 -3.93 115.29 119.36 3h5a s HIS 215 Ca 0.06 -0.30 -0.11 0.00 -1.54 0.00 0.00 55.06 53.16 3h5a s HIS 215 Cb 0.06 -1.52 0.07 0.00 0.04 0.00 0.00 32.58 31.22 3h5a s HIS 215 CO 0.69 0.11 1.12 -2.14 -2.34 0.00 0.00 174.74 172.18 3h5a s PRO 216 N -0.89 2.01 0.45 2.88 0.02 -1.26 -4.91 135.00 133.31 3h5a s PRO 216 Ca 0.12 1.34 0.18 0.00 0.02 0.00 0.00 61.00 62.66 3h5a s PRO 216 Cb -0.10 -1.86 1.14 0.00 0.02 0.00 0.00 34.50 33.70 3h5a s PRO 216 CO 0.01 -1.85 1.94 0.27 -0.33 0.00 0.00 177.00 177.04 3h5a h PHE 217 N -1.09 0.35 -1.27 6.54 -0.00 -1.96 -1.63 116.94 117.89 3h5a h PHE 217 Ca -0.44 0.01 -0.67 0.00 -0.00 0.00 0.00 57.97 56.87 3h5a h PHE 217 Cb 1.25 -0.11 -0.33 0.00 -0.00 0.00 0.00 35.95 36.76 3h5a h PHE 217 CO 0.55 0.14 0.39 0.27 -0.00 0.00 0.00 178.31 179.66 3h5a n ASN 218 N -4.45 6.75 -0.09 -0.68 6.94 -1.26 -4.66 115.26 117.80 3h5a n ASN 218 Ca 0.13 -3.79 -0.12 0.00 -0.02 0.00 0.00 54.58 50.79 3h5a n ASN 218 Cb 0.54 -0.81 -0.04 0.00 -2.36 0.00 0.00 39.78 37.11 3h5a n ASN 218 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 3h5a h LEU 219 N 2.36 0.51 -0.50 -4.53 5.85 -1.65 -3.24 115.31 114.10 3h5a h LEU 219 Ca 0.51 -0.35 0.08 0.00 0.84 0.00 0.00 57.88 58.96 3h5a h LEU 219 Cb 0.77 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.59 3h5a h LEU 219 CO 1.30 0.74 0.11 0.40 -0.34 0.00 0.00 178.44 180.65 3h5a h ILE 220 N 0.26 0.73 -0.77 4.05 5.03 -1.85 -1.53 117.51 123.44 3h5a h ILE 220 Ca 0.07 -0.09 0.15 0.00 -0.12 0.00 0.00 64.86 64.87 3h5a h ILE 220 Cb 0.51 0.46 -0.15 0.00 -3.03 0.00 0.00 36.82 34.62 3h5a h ILE 220 CO 0.02 0.05 -0.23 0.78 -0.68 0.00 0.00 178.15 178.09 3h5a h ASN 221 N 0.25 -0.83 -0.41 1.72 2.35 -1.92 0.26 115.58 117.00 3h5a h ASN 221 Ca 0.25 0.24 -0.14 0.00 -0.55 0.00 0.00 56.30 56.10 3h5a h ASN 221 Cb 0.33 0.52 -0.01 0.00 0.05 0.00 0.00 38.32 39.21 3h5a h ASN 221 CO -0.32 -0.27 -0.29 -0.50 -1.65 0.00 0.00 177.43 174.40 3h5a h TRP 222 N -0.02 1.08 -0.18 1.19 6.55 -1.36 -1.56 115.95 121.65 3h5a h TRP 222 Ca 0.36 -0.30 -0.03 0.00 0.95 0.00 0.00 58.89 59.87 3h5a h TRP 222 Cb 0.57 -0.24 -0.01 0.00 -0.86 0.00 0.00 29.16 28.62 3h5a h TRP 222 CO -0.64 1.11 -0.03 0.28 -1.05 0.00 0.00 178.44 178.11 3h5a h VAL 223 N 0.75 1.14 0.16 1.49 2.07 -0.56 0.27 116.25 121.56 3h5a h VAL 223 Ca 0.08 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 3h5a h VAL 223 Cb 0.88 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 3h5a h VAL 223 CO 0.08 0.18 -0.08 -1.13 0.02 0.00 0.00 177.57 176.65 3h5a h ASN 224 N 0.26 -0.18 -0.78 0.57 -0.73 -0.32 0.40 115.58 114.81 3h5a h ASN 224 Ca 0.06 0.01 0.09 0.00 1.87 0.00 0.00 56.30 58.33 3h5a h ASN 224 Cb 0.24 0.05 -0.11 0.00 0.27 0.00 0.00 38.32 38.77 3h5a h ASN 224 CO 0.01 0.02 -0.40 0.29 -0.37 0.00 0.00 177.43 176.98 3h5a n LYS 225 N -3.41 -0.28 -0.15 6.67 4.76 -0.61 -0.63 118.16 124.51 3h5a n LYS 225 Ca -0.03 1.18 -0.05 0.00 -2.87 0.00 0.00 58.31 56.55 3h5a n LYS 225 Cb 0.08 -1.75 0.04 0.00 -1.84 0.00 0.00 35.03 31.57 3h5a n LYS 225 CO 0.00 0.00 0.00 -0.92 -1.37 0.00 0.00 177.40 175.11 3h5a h TYR 226 N 0.00 0.44 0.03 2.13 3.20 -0.45 -3.11 116.97 119.21 3h5a h TYR 226 Ca 0.18 0.02 -0.23 0.00 3.14 0.00 0.00 58.73 61.83 3h5a h TYR 226 Cb 0.37 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.52 3h5a h TYR 226 CO -0.76 0.22 -0.99 0.00 -1.64 0.00 0.00 178.16 174.99 3h5a h VAL 228 N 0.19 0.43 0.00 0.00 2.07 -0.87 0.85 116.25 118.92 3h5a h VAL 228 Ca -0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3h5a h VAL 228 Cb 1.64 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 3h5a h VAL 228 CO 0.17 0.00 -0.14 -2.11 0.02 0.00 0.00 177.57 175.51 3h5a n ARG 229 N -5.37 0.03 0.00 1.57 1.85 -1.16 -3.26 116.66 110.32 3h5a n ARG 229 Ca -0.03 0.02 0.12 0.00 -1.00 0.00 0.00 57.85 56.96 3h5a n ARG 229 Cb 0.28 -1.53 0.19 0.00 -1.05 0.00 0.00 32.46 30.35 3h5a n ARG 229 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3h5a n ALA 230 N -1.53 3.41 -3.74 2.89 0.00 0.11 -4.97 120.51 116.68 3h5a n ALA 230 Ca 0.06 -0.51 -0.23 0.00 0.00 0.00 0.00 53.44 52.76 3h5a n ALA 230 Cb 0.35 -0.97 0.03 0.00 0.00 0.00 0.00 19.45 18.86 3h5a n ALA 230 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3h5a n ASN 231 N -0.49 -2.16 -4.25 0.00 3.02 0.13 -4.99 115.26 106.52 3h5a n ASN 231 Ca 0.10 -0.80 -0.35 0.00 -0.03 0.00 0.00 54.58 53.50 3h5a n ASN 231 Cb 0.40 -4.09 -0.14 0.00 -0.61 0.00 0.00 39.78 35.34 3h5a n ASN 231 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3h5a s GLN 232 N -6.11 2.95 0.27 3.52 2.00 -0.27 -4.90 119.66 117.12 3h5a s GLN 232 Ca 0.17 -0.92 -0.30 0.00 -2.00 0.00 0.00 55.36 52.31 3h5a s GLN 232 Cb -0.08 -3.12 -0.09 0.00 0.80 0.00 0.00 33.01 30.52 3h5a s GLN 232 CO 0.81 -0.40 1.09 -2.14 -0.50 0.00 0.00 175.29 174.15 3h5a s PRO 233 N 1.39 4.65 0.05 1.67 0.02 -1.26 -4.68 135.00 136.85 3h5a s PRO 233 Ca 0.01 1.77 -0.04 0.00 0.02 0.00 0.00 61.00 62.77 3h5a s PRO 233 Cb -0.17 -3.20 -0.02 0.00 0.02 0.00 0.00 34.50 31.13 3h5a s PRO 233 CO -0.02 0.22 0.06 1.52 -0.33 0.00 0.00 177.00 178.45 3h5a s TYR 234 N -1.08 0.33 -0.06 6.54 1.13 -0.97 -1.94 117.35 121.30 3h5a s TYR 234 Ca 0.45 -0.77 0.02 0.00 -1.41 0.00 0.00 57.07 55.36 3h5a s TYR 234 Cb -0.31 -0.23 0.01 0.00 -1.10 0.00 0.00 41.96 40.33 3h5a s TYR 234 CO 0.40 -0.40 -0.11 -1.50 -2.51 0.00 0.00 175.55 171.42 3h5a s ILE 235 N -3.38 1.04 0.25 -3.49 2.07 0.34 -1.00 121.20 117.03 3h5a s ILE 235 Ca 0.02 -0.44 -0.07 0.00 -1.41 0.00 0.00 60.65 58.75 3h5a s ILE 235 Cb 0.04 -0.95 -0.06 0.00 0.13 0.00 0.00 42.46 41.61 3h5a s ILE 235 CO -0.08 0.33 0.54 0.21 -1.91 0.00 0.00 174.94 174.03 3h5a s ASN 236 N 0.58 6.52 0.11 4.50 3.04 -1.21 -0.34 114.94 128.15 3h5a s ASN 236 Ca -0.12 0.79 -0.25 0.00 0.04 0.00 0.00 52.86 53.33 3h5a s ASN 236 Cb -0.14 -2.18 0.08 0.00 -1.54 0.00 0.00 41.25 37.47 3h5a s ASN 236 CO 0.03 -0.12 0.65 0.00 -3.04 0.00 0.00 177.10 174.62 3h5a s ALA 237 N -1.94 -1.65 0.00 1.71 0.00 -0.92 -0.66 121.76 118.30 3h5a s ALA 237 Ca 0.45 0.67 0.00 0.00 0.00 0.00 0.00 51.96 53.08 3h5a s ALA 237 Cb -0.11 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.71 3h5a s ALA 237 CO 0.26 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 175.72 3h5a n GLY 238 N -0.20 -0.85 3.19 0.00 0.00 -0.42 -4.33 105.19 102.58 3h5a n GLY 238 Ca -0.16 -1.36 -0.11 0.00 0.00 0.00 0.00 46.02 44.38 3h5a n GLY 238 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3h5a s TYR 239 N -2.81 1.00 -0.24 1.61 1.13 -1.26 -0.18 117.35 116.60 3h5a s TYR 239 Ca 0.00 -1.10 -0.03 0.00 -1.41 0.00 0.00 57.07 54.53 3h5a s TYR 239 Cb 0.00 -0.57 0.08 0.00 -1.10 0.00 0.00 41.96 40.36 3h5a s TYR 239 CO 0.00 -0.34 0.07 0.08 -2.51 0.00 0.00 175.55 172.85 3h5a s VAL 240 N -3.83 0.44 0.00 -3.49 1.01 0.20 -4.92 120.40 109.81 3h5a s VAL 240 Ca 0.22 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.44 3h5a s VAL 240 Cb 0.07 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 35.32 3h5a s VAL 240 CO 0.01 -0.42 0.00 0.59 0.00 0.00 0.00 175.10 175.28 3h5a n ASN 241 N 5.06 0.00 -1.27 3.32 3.02 -1.26 -1.15 115.26 122.98 3h5a n ASN 241 Ca -0.07 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.53 3h5a n ASN 241 Cb 0.45 0.00 0.23 0.00 -0.61 0.00 0.00 39.78 39.86 3h5a n ASN 241 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3h5a n ASP 242 N 4.69 3.65 -4.28 6.41 5.75 -1.20 -4.39 116.55 127.19 3h5a n ASP 242 Ca 0.00 -2.50 -0.35 0.00 -0.01 0.00 0.00 54.79 51.93 3h5a n ASP 242 Cb 0.00 -0.58 -0.14 0.00 -1.03 0.00 0.00 41.12 39.37 3h5a n ASP 242 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3h5a s ILE 243 N -1.98 3.22 0.32 2.12 1.01 -0.30 -3.53 121.20 122.06 3h5a s ILE 243 Ca 0.32 -0.65 -0.26 0.00 0.00 0.00 0.00 60.65 60.05 3h5a s ILE 243 Cb 0.24 -2.51 -0.10 0.00 0.01 0.00 0.00 42.46 40.10 3h5a s ILE 243 CO 0.10 0.36 0.95 0.00 0.00 0.00 0.00 174.94 176.35 3h5a s ALA 244 N 1.43 3.22 -0.04 9.38 0.00 -0.97 -0.63 121.76 134.15 3h5a s ALA 244 Ca 0.04 0.55 0.01 0.00 0.00 0.00 0.00 51.96 52.56 3h5a s ALA 244 Cb -0.15 -3.19 0.02 0.00 0.00 0.00 0.00 23.12 19.80 3h5a s ALA 244 CO -0.04 0.15 -0.03 0.08 0.00 0.00 0.00 175.76 175.92 3h5a s VAL 245 N -1.57 0.44 -0.28 0.00 1.01 0.75 -0.81 120.40 119.94 3h5a s VAL 245 Ca 0.50 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.44 3h5a s VAL 245 Cb -0.20 -0.49 0.08 0.00 0.00 0.00 0.00 36.38 35.77 3h5a s VAL 245 CO 0.25 0.21 -0.01 0.72 0.00 0.00 0.00 175.10 176.27 3h5a s PHE 246 N 1.02 2.76 0.14 5.22 -0.71 -0.25 -1.30 117.98 124.86 3h5a s PHE 246 Ca -0.10 -2.16 -0.02 0.00 -1.04 0.00 0.00 56.93 53.61 3h5a s PHE 246 Cb -0.14 -2.01 0.03 0.00 -1.21 0.00 0.00 43.02 39.70 3h5a s PHE 246 CO -0.01 -0.85 0.13 0.41 -1.34 0.00 0.00 175.22 173.57 3h5a n GLY 247 N 4.56 -2.23 3.77 1.99 0.00 0.16 -2.38 105.19 111.05 3h5a n GLY 247 Ca -0.06 -1.50 -0.39 0.00 0.00 0.00 0.00 46.02 44.07 3h5a n GLY 247 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h5a s PRO 248 N -3.30 3.93 -0.17 1.61 0.04 -1.13 -4.36 135.00 131.62 3h5a s PRO 248 Ca 0.08 2.07 -0.22 0.00 0.04 0.00 0.00 61.00 62.98 3h5a s PRO 248 Cb -0.01 -2.70 -0.03 0.00 0.04 0.00 0.00 34.50 31.81 3h5a s PRO 248 CO 0.06 -0.50 0.67 -1.17 0.04 0.00 0.00 177.00 176.10 3h5a s LEU 249 N -2.53 4.17 -0.24 -3.56 2.96 -1.14 -3.29 118.68 115.05 3h5a s LEU 249 Ca 0.58 0.93 -0.10 0.00 -0.22 0.00 0.00 54.13 55.32 3h5a s LEU 249 Cb -0.36 -2.96 -0.05 0.00 0.50 0.00 0.00 46.19 43.32 3h5a s LEU 249 CO 0.46 -0.27 0.14 -0.47 -1.32 0.00 0.00 176.35 174.89 3h5a s TYR 250 N 1.77 3.26 -0.14 5.38 5.04 -0.18 -4.09 117.35 128.41 3h5a s TYR 250 Ca 0.31 0.11 0.01 0.00 -2.44 0.00 0.00 57.07 55.06 3h5a s TYR 250 Cb -0.16 -2.25 0.02 0.00 0.35 0.00 0.00 41.96 39.91 3h5a s TYR 250 CO 0.12 -0.01 -0.17 0.54 -1.34 0.00 0.00 175.55 174.68 3h5a s VAL 251 N 1.13 1.73 -0.21 3.14 0.11 -1.26 -2.30 120.40 122.75 3h5a s VAL 251 Ca 0.07 -0.76 -0.18 0.00 -2.93 0.00 0.00 61.98 58.17 3h5a s VAL 251 Cb -0.14 -1.57 -0.08 0.00 -1.53 0.00 0.00 36.38 33.06 3h5a s VAL 251 CO 0.05 0.49 0.84 -2.65 -3.33 0.00 0.00 175.10 170.49 3h5a n PRO 252 N 4.37 0.00 -3.96 1.54 -0.02 -1.26 -1.53 135.00 134.14 3h5a n PRO 252 Ca -0.19 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.01 3h5a n PRO 252 Cb 0.51 -0.62 -0.02 0.00 -0.02 0.00 0.00 33.50 33.35 3h5a n PRO 252 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h5a n GLY 253 N 2.83 -0.36 0.00 -1.23 0.00 -1.26 -4.77 105.19 100.40 3h5a n GLY 253 Ca 0.21 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.44 3h5a n GLY 253 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h5a n LYS 254 N -4.43 2.44 0.00 1.61 5.02 -0.58 -4.99 118.16 117.23 3h5a n LYS 254 Ca -0.27 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.02 3h5a n LYS 254 Cb 0.67 -0.31 0.00 0.00 -0.02 0.00 0.00 35.03 35.36 3h5a n LYS 254 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3h5a n THR 255 N -0.18 0.00 -0.22 -0.18 -2.24 -1.14 -4.96 114.28 105.36 3h5a n THR 255 Ca 0.00 -0.06 0.01 0.00 -2.27 0.00 0.00 64.05 61.73 3h5a n THR 255 Cb 0.00 0.44 -0.01 0.00 -2.10 0.00 0.00 70.33 68.66 3h5a n THR 255 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h5a n GLY 256 N 0.86 -2.88 3.87 3.38 0.00 -1.26 -2.68 105.19 106.48 3h5a n GLY 256 Ca 0.00 -1.30 -0.28 0.00 0.00 0.00 0.00 46.02 44.44 3h5a n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h5a n TYR 258 N -1.66 0.68 -0.05 0.00 9.36 -1.26 -2.73 117.16 121.50 3h5a n TYR 258 Ca -0.06 0.33 -0.19 0.00 3.32 0.00 0.00 57.90 61.30 3h5a n TYR 258 Cb 0.65 -1.03 -0.13 0.00 -0.63 0.00 0.00 39.34 38.19 3h5a n TYR 258 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 3h5a n GLU 259 N -2.18 0.71 -0.21 2.98 2.13 -1.26 -4.61 120.64 118.21 3h5a n GLU 259 Ca -0.01 0.21 0.16 0.00 0.66 0.00 0.00 57.16 58.18 3h5a n GLU 259 Cb 0.07 -1.64 0.29 0.00 0.27 0.00 0.00 31.44 30.43 3h5a n GLU 259 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3h5a n GLN 261 N -4.58 2.38 -1.10 0.00 1.13 -1.26 -4.57 117.38 109.38 3h5a n GLN 261 Ca 0.20 -2.04 -0.32 0.00 -1.94 0.00 0.00 57.00 52.90 3h5a n GLN 261 Cb 0.67 -1.48 0.12 0.00 0.11 0.00 0.00 30.24 29.65 3h5a n GLN 261 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3h5a s LYS 262 N -1.77 1.78 0.07 -1.09 1.02 0.68 -5.04 119.74 115.38 3h5a s LYS 262 Ca 0.33 1.44 0.03 0.00 0.02 0.00 0.00 55.97 57.79 3h5a s LYS 262 Cb 0.21 -1.82 -0.03 0.00 -0.52 0.00 0.00 37.83 35.67 3h5a s LYS 262 CO 0.31 -2.05 -0.08 0.08 -0.92 0.00 0.00 175.35 172.69 3h5a s VAL 263 N -2.60 0.71 0.20 3.17 1.01 -1.26 -5.07 120.40 116.56 3h5a s VAL 263 Ca 0.66 -1.46 -0.12 0.00 0.00 0.00 0.00 61.98 61.06 3h5a s VAL 263 Cb -0.22 -1.11 0.17 0.00 0.00 0.00 0.00 36.38 35.22 3h5a s VAL 263 CO 0.54 -0.55 1.67 1.62 0.00 0.00 0.00 175.10 178.38 3h5a h VAL 264 N 3.84 0.54 -2.02 2.92 3.04 -2.03 -3.47 116.25 119.06 3h5a h VAL 264 Ca -0.36 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.29 3h5a h VAL 264 Cb 1.19 0.41 0.00 0.00 -2.01 0.00 0.00 31.29 30.88 3h5a h VAL 264 CO 0.50 0.02 0.00 0.00 -1.01 0.00 0.00 177.57 177.08 3h5a n ALA 265 N -2.75 -2.50 -0.20 3.17 0.00 -1.26 -5.36 120.51 111.62 3h5a n ALA 265 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3h5a n ALA 265 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 3h5a n ALA 265 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3h5a n ASP 266 N 0.00 -0.89 0.00 0.00 8.00 -1.26 -5.35 116.55 117.05 3h5a n ASP 266 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3h5a n ASP 266 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3h5a n ASP 266 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 3h5a n LYS 272 N -0.19 0.00 0.00 -1.24 2.85 -1.26 -5.34 118.16 112.97 3h5a n LYS 272 Ca 0.00 0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.37 3h5a n LYS 272 Cb 0.00 0.00 0.52 0.00 -0.65 0.00 0.00 35.03 34.90 3h5a n LYS 272 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3h5a n GLU 273 N 0.82 0.16 -0.00 -1.58 4.71 -1.26 -2.31 120.64 121.18 3h5a n GLU 273 Ca 0.00 0.10 -0.17 0.00 -0.01 0.00 0.00 57.16 57.08 3h5a n GLU 273 Cb 0.00 -1.50 -0.10 0.00 -1.01 0.00 0.00 31.44 28.83 3h5a n GLU 273 CO 0.00 0.00 0.00 -2.95 0.09 0.00 0.00 177.13 174.27 3h5a h ASN 274 N 0.00 0.57 0.45 1.62 -1.07 -2.06 -2.99 115.58 112.11 3h5a h ASN 274 Ca 0.00 -0.73 -0.17 0.00 0.07 0.00 0.00 56.30 55.47 3h5a h ASN 274 Cb 0.29 -0.17 -0.01 0.00 -2.07 0.00 0.00 38.32 36.35 3h5a h ASN 274 CO 0.00 1.22 -0.73 0.16 0.07 0.00 0.00 177.43 178.15 3h5a h ILE 275 N -0.02 1.43 0.00 6.14 3.07 -1.98 -3.13 117.51 123.02 3h5a h ILE 275 Ca -0.07 -2.27 -0.00 0.00 1.55 0.00 0.00 64.86 64.07 3h5a h ILE 275 Cb 1.29 2.21 -0.00 0.00 -0.27 0.00 0.00 36.82 40.05 3h5a h ILE 275 CO 0.12 0.67 -0.02 -0.78 -1.05 0.00 0.00 178.15 177.09 3h5a h ASP 276 N 0.15 0.00 -0.26 2.16 3.58 -1.52 -0.37 116.42 120.16 3h5a h ASP 276 Ca -0.02 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.24 3h5a h ASP 276 Cb 1.29 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.34 3h5a h ASP 276 CO 0.11 0.02 -0.54 -0.74 -2.88 0.00 0.00 179.24 175.21 3h5a h HIS 277 N 0.00 1.07 -0.37 0.28 2.76 -1.46 -3.13 115.15 114.30 3h5a h HIS 277 Ca -0.00 -0.38 -0.16 0.00 -2.20 0.00 0.00 60.37 57.64 3h5a h HIS 277 Cb 0.05 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 28.80 3h5a h HIS 277 CO 0.00 1.20 -0.39 0.87 -1.30 0.00 0.00 177.93 178.31 3h5a h LYS 278 N 0.66 0.91 -0.40 5.26 1.57 -1.13 -2.90 116.57 120.54 3h5a h LYS 278 Ca 0.02 -0.48 -0.01 0.00 -1.87 0.00 0.00 60.65 58.31 3h5a h LYS 278 Cb 1.14 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 3h5a h LYS 278 CO 0.12 1.13 0.23 -0.84 -0.57 0.00 0.00 179.45 179.52 3h5a h ILE 279 N 0.74 1.15 -0.39 1.86 3.07 -1.37 -1.49 117.51 121.07 3h5a h ILE 279 Ca 0.06 -0.36 0.08 0.00 1.55 0.00 0.00 64.86 66.19 3h5a h ILE 279 Cb 0.98 0.65 -0.08 0.00 -0.27 0.00 0.00 36.82 38.11 3h5a h ILE 279 CO 0.09 0.15 -0.11 0.11 -1.05 0.00 0.00 178.15 177.34 3h5a h LYS 280 N 0.52 -0.02 0.03 0.16 6.56 -1.55 -0.58 116.57 121.69 3h5a h LYS 280 Ca 0.14 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.73 3h5a h LYS 280 Cb 0.04 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.70 3h5a h LYS 280 CO -0.02 -0.01 -0.01 1.25 -2.06 0.00 0.00 179.45 178.59 3h5a h LEU 281 N -0.02 -0.03 -0.15 2.94 5.85 -1.26 0.14 115.31 122.78 3h5a h LEU 281 Ca 0.19 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.83 3h5a h LEU 281 Cb 0.31 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 3h5a h LEU 281 CO -0.42 0.10 -0.06 0.40 -0.34 0.00 0.00 178.44 178.12 3h5a h ILE 282 N -0.16 0.80 0.00 4.05 2.04 -1.08 -1.42 117.51 121.75 3h5a h ILE 282 Ca -0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 3h5a h ILE 282 Cb 0.14 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 37.03 3h5a h ILE 282 CO 0.01 0.00 -0.09 0.78 0.00 0.00 0.00 178.15 178.85 3h5a h ASN 283 N -0.03 0.00 0.76 1.72 2.35 -0.91 -0.97 115.58 118.50 3h5a h ASN 283 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3h5a h ASN 283 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 3h5a h ASN 283 CO -0.17 0.09 0.00 0.77 -1.65 0.00 0.00 177.43 176.47 3h5a h SER 284 N 0.00 0.00 0.01 5.81 4.64 0.43 -2.48 113.55 121.96 3h5a h SER 284 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h5a h SER 284 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3h5a h SER 284 CO 0.01 0.00 -0.14 0.54 -0.87 0.00 0.00 176.83 176.37 3h5a n ARG 285 N -2.81 1.73 -1.68 4.77 1.74 -0.37 -4.99 116.66 115.04 3h5a n ARG 285 Ca 0.00 -1.30 -0.45 0.00 -0.77 0.00 0.00 57.85 55.33 3h5a n ARG 285 Cb 0.24 -1.47 -0.04 0.00 -1.02 0.00 0.00 32.46 30.17 3h5a n ARG 285 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3h5a n PHE 286 N 0.50 2.42 -4.72 -1.55 7.35 -0.94 -5.02 117.46 115.50 3h5a n PHE 286 Ca 0.14 0.06 -0.31 0.00 -0.76 0.00 0.00 57.45 56.58 3h5a n PHE 286 Cb 0.48 -2.64 -0.17 0.00 0.35 0.00 0.00 39.48 37.50 3h5a n PHE 286 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 3h5a s LYS 287 N 2.31 2.69 0.05 -4.13 2.47 -1.26 -5.12 119.74 116.75 3h5a s LYS 287 Ca 0.83 -0.74 -0.31 0.00 -1.56 0.00 0.00 55.97 54.20 3h5a s LYS 287 Cb -0.61 -2.16 -0.07 0.00 -1.46 0.00 0.00 37.83 33.52 3h5a s LYS 287 CO 0.41 0.02 1.55 -1.25 0.16 0.00 0.00 175.35 176.24 3h5a s PRO 288 N 0.75 4.23 -0.95 4.03 0.04 -1.26 -4.94 135.00 136.90 3h5a s PRO 288 Ca -0.10 2.19 -0.23 0.00 0.04 0.00 0.00 61.00 62.89 3h5a s PRO 288 Cb -0.16 -3.57 0.05 0.00 0.04 0.00 0.00 34.50 30.86 3h5a s PRO 288 CO 0.01 -0.67 1.37 0.00 0.04 0.00 0.00 177.00 177.75 3h5a s ALA 289 N 2.48 2.79 0.17 8.56 0.00 -1.26 -4.97 121.76 129.53 3h5a s ALA 289 Ca 0.70 -2.13 0.06 0.00 0.00 0.00 0.00 51.96 50.59 3h5a s ALA 289 Cb -0.37 -4.41 -0.04 0.00 0.00 0.00 0.00 23.12 18.30 3h5a s ALA 289 CO 0.30 -3.47 0.05 -0.08 0.00 0.00 0.00 175.76 172.56 3h5a s THR 290 N 4.87 4.00 -0.19 0.00 -1.32 -1.26 -3.27 115.64 118.47 3h5a s THR 290 Ca 0.42 -1.30 -0.04 0.00 -1.21 0.00 0.00 61.69 59.55 3h5a s THR 290 Cb -0.03 -3.03 0.06 0.00 -1.51 0.00 0.00 72.50 68.00 3h5a s THR 290 CO -0.05 -0.11 0.08 0.12 -2.21 0.00 0.00 174.62 172.45 3h5a s PHE 291 N -1.75 0.42 0.18 9.09 5.36 -1.26 -4.99 117.98 125.03 3h5a s PHE 291 Ca 0.29 -0.50 -0.16 0.00 -0.96 0.00 0.00 56.93 55.60 3h5a s PHE 291 Cb -0.10 -0.80 0.15 0.00 -0.34 0.00 0.00 43.02 41.93 3h5a s PHE 291 CO 0.20 -0.56 1.25 0.00 -1.46 0.00 0.00 175.22 174.65 3h5a n ALA 292 N 5.22 -0.18 0.13 11.12 0.00 -1.26 -0.10 120.51 135.44 3h5a n ALA 292 Ca -0.07 0.78 0.09 0.00 0.00 0.00 0.00 53.44 54.23 3h5a n ALA 292 Cb 0.48 -0.31 0.46 0.00 0.00 0.00 0.00 19.45 20.07 3h5a n ALA 292 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3h5a n PRO 293 N -5.15 0.11 0.04 0.00 -0.02 -1.26 -1.90 135.00 126.81 3h5a n PRO 293 Ca 0.07 0.60 -0.12 0.00 -2.02 0.00 0.00 63.50 62.04 3h5a n PRO 293 Cb 0.30 -1.87 -0.09 0.00 -0.02 0.00 0.00 33.50 31.83 3h5a n PRO 293 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3h5a h VAL 294 N 0.00 1.02 -0.96 -1.45 2.07 -0.89 -2.87 116.25 113.17 3h5a h VAL 294 Ca 0.00 -1.17 0.28 0.00 0.82 0.00 0.00 66.70 66.62 3h5a h VAL 294 Cb 0.03 1.69 -0.17 0.00 -1.52 0.00 0.00 31.29 31.31 3h5a h VAL 294 CO 0.00 0.26 0.11 0.78 0.02 0.00 0.00 177.57 178.74 3h5a h ASN 295 N -0.78 -0.31 -0.43 0.57 4.21 -1.47 -0.80 115.58 116.58 3h5a h ASN 295 Ca -0.02 0.26 -0.04 0.00 1.21 0.00 0.00 56.30 57.72 3h5a h ASN 295 Cb 0.55 0.42 -0.02 0.00 -1.12 0.00 0.00 38.32 38.15 3h5a h ASN 295 CO 0.03 -0.32 0.12 0.78 -1.29 0.00 0.00 177.43 176.75 3h5a h ASN 296 N 0.04 0.63 -0.06 5.81 -0.26 -1.53 0.23 115.58 120.45 3h5a h ASN 296 Ca 0.61 -0.21 -0.00 0.00 -0.56 0.00 0.00 56.30 56.13 3h5a h ASN 296 Cb 1.30 -0.17 -0.00 0.00 -1.06 0.00 0.00 38.32 38.39 3h5a h ASN 296 CO -0.85 0.68 0.04 0.58 -1.06 0.00 0.00 177.43 176.81 3h5a h VAL 297 N 0.55 1.05 -0.17 2.81 2.07 -0.94 -1.14 116.25 120.49 3h5a h VAL 297 Ca 0.14 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 3h5a h VAL 297 Cb 0.28 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3h5a h VAL 297 CO -0.00 0.04 0.04 0.00 0.02 0.00 0.00 177.57 177.67 3h5a h ALA 298 N 0.98 0.22 -0.80 1.67 0.00 -1.28 -2.13 119.26 117.92 3h5a h ALA 298 Ca 0.02 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 54.88 3h5a h ALA 298 Cb 0.03 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 3h5a h ALA 298 CO -0.00 -0.14 0.52 0.00 0.00 0.00 0.00 179.25 179.63 3h5a h ALA 299 N 0.85 1.73 0.04 0.00 0.00 -0.47 -0.50 119.26 120.90 3h5a h ALA 299 Ca 0.05 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.73 3h5a h ALA 299 Cb 0.26 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 17.89 3h5a h ALA 299 CO 0.00 0.12 -0.90 0.00 0.00 0.00 0.00 179.25 178.47 3h5a h ALA 300 N 1.59 0.06 -0.32 0.00 0.00 -0.91 0.55 119.26 120.22 3h5a h ALA 300 Ca 0.37 -0.67 -0.16 0.00 0.00 0.00 0.00 54.91 54.45 3h5a h ALA 300 Cb 0.41 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3h5a h ALA 300 CO -0.14 0.53 -0.44 -0.07 0.00 0.00 0.00 179.25 179.13 3h5a h LEU 301 N 0.11 0.94 -0.51 0.00 3.38 -1.25 -1.37 115.31 116.61 3h5a h LEU 301 Ca -0.12 -0.50 0.03 0.00 0.09 0.00 0.00 57.88 57.37 3h5a h LEU 301 Cb 1.60 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 42.04 3h5a h LEU 301 CO 0.18 1.26 0.29 0.00 0.09 0.00 0.00 178.44 180.26 3h5a h ALA 303 N 1.24 1.52 -0.24 0.00 0.00 -0.73 -2.41 119.26 118.65 3h5a h ALA 303 Ca 0.21 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3h5a h ALA 303 Cb 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3h5a h ALA 303 CO -0.11 0.35 -0.07 0.00 0.00 0.00 0.00 179.25 179.42 3h5a h ALA 304 N 1.66 0.33 -0.34 0.00 0.00 -0.65 -2.54 119.26 117.71 3h5a h ALA 304 Ca 0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3h5a h ALA 304 Cb 0.38 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3h5a h ALA 304 CO 0.02 0.14 0.14 -0.44 0.00 0.00 0.00 179.25 179.11 3h5a h ASP 305 N 0.20 0.43 -0.39 0.00 3.32 -0.95 -2.36 116.42 116.67 3h5a h ASP 305 Ca 0.06 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 3h5a h ASP 305 Cb 0.54 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 3h5a h ASP 305 CO 0.03 0.39 0.13 0.58 -1.72 0.00 0.00 179.24 178.65 3h5a h VAL 306 N 0.48 1.21 -0.34 -1.35 2.07 -1.13 0.12 116.25 117.30 3h5a h VAL 306 Ca 0.12 -0.66 -0.07 0.00 0.82 0.00 0.00 66.70 66.91 3h5a h VAL 306 Cb 0.09 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3h5a h VAL 306 CO -0.01 0.23 -0.10 0.40 0.02 0.00 0.00 177.57 178.11 3h5a h ILE 307 N 0.48 1.24 -0.17 4.57 2.04 -1.23 0.13 117.51 124.56 3h5a h ILE 307 Ca 0.13 -1.04 -0.06 0.00 1.00 0.00 0.00 64.86 64.89 3h5a h ILE 307 Cb 0.23 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.40 3h5a h ILE 307 CO -0.01 0.34 -0.13 0.11 0.00 0.00 0.00 178.15 178.46 3h5a h LYS 308 N 0.53 0.39 0.04 2.37 1.57 -1.17 0.32 116.57 120.62 3h5a h LYS 308 Ca 0.10 -0.19 0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3h5a h LYS 308 Cb 0.50 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 3h5a h LYS 308 CO 0.03 0.74 -0.10 0.35 -0.57 0.00 0.00 179.45 179.90 3h5a h PHE 309 N 0.05 -0.26 -0.18 -1.35 3.57 -0.38 0.18 116.94 118.57 3h5a h PHE 309 Ca 0.03 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.40 3h5a h PHE 309 Cb 0.65 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 3h5a h PHE 309 CO 0.08 -0.16 -0.45 0.82 -2.23 0.00 0.00 178.31 176.37 3h5a h ILE 310 N -0.19 1.32 0.00 1.41 2.04 -0.76 -3.26 117.51 118.06 3h5a h ILE 310 Ca 0.03 -1.64 -0.04 0.00 1.00 0.00 0.00 64.86 64.20 3h5a h ILE 310 Cb 0.22 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 3h5a h ILE 310 CO -0.08 0.51 -0.21 1.23 0.00 0.00 0.00 178.15 179.60 3h5a h GLY 311 N 1.14 0.00 -6.05 5.37 0.00 -0.16 -3.43 103.07 99.93 3h5a h GLY 311 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 46.92 3h5a h GLY 311 CO 0.08 0.00 -0.72 0.28 0.00 0.00 0.00 176.54 176.18 3h5a n LYS 312 N -3.17 -6.77 -0.01 4.80 4.76 0.62 -4.74 118.16 113.65 3h5a n LYS 312 Ca 0.03 0.72 0.01 0.00 -2.87 0.00 0.00 58.31 56.20 3h5a n LYS 312 Cb 0.59 -5.69 -0.05 0.00 -1.84 0.00 0.00 35.03 28.04 3h5a n LYS 312 CO 0.00 0.00 0.00 2.48 -1.37 0.00 0.00 177.40 178.51 3h5a n TYR 313 N -4.82 0.00 -3.64 2.13 4.11 -1.24 -5.03 117.16 108.67 3h5a n TYR 313 Ca 0.01 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.79 3h5a n TYR 313 Cb 0.55 -0.22 -0.05 0.00 -0.00 0.00 0.00 39.34 39.62 3h5a n TYR 313 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.86 175.32 3h5a s SER 314 N -3.17 -0.26 0.03 9.48 1.04 -1.26 -4.84 113.70 114.73 3h5a s SER 314 Ca -0.03 -0.22 -0.34 0.00 0.48 0.00 0.00 55.95 55.84 3h5a s SER 314 Cb 0.04 0.46 -0.13 0.00 0.10 0.00 0.00 66.02 66.49 3h5a s SER 314 CO 0.29 -0.80 1.71 -0.62 0.98 0.00 0.00 173.24 174.79 3h5a n GLU 315 N -0.03 2.08 -1.74 4.02 1.02 -1.26 -4.65 120.64 120.09 3h5a n GLU 315 Ca -0.17 0.76 -0.41 0.00 -0.02 0.00 0.00 57.16 57.32 3h5a n GLU 315 Cb 0.63 -2.55 0.01 0.00 -0.02 0.00 0.00 31.44 29.51 3h5a n GLU 315 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3h5a n PRO 316 N 4.86 2.16 0.28 3.49 -0.02 -1.26 -4.88 135.00 139.63 3h5a n PRO 316 Ca 0.20 0.77 0.18 0.00 -2.02 0.00 0.00 63.50 62.63 3h5a n PRO 316 Cb 0.28 -2.53 0.82 0.00 -0.02 0.00 0.00 33.50 32.05 3h5a n PRO 316 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3h5a h LEU 317 N 2.28 0.00 0.00 2.45 3.38 -1.93 -3.25 115.31 118.24 3h5a h LEU 317 Ca -0.49 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.40 3h5a h LEU 317 Cb 1.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 3h5a h LEU 317 CO 0.61 0.00 -0.88 -1.28 0.09 0.00 0.00 178.44 176.97 3h5a h SER 318 N 0.00 0.00 -1.08 -0.43 0.87 -1.90 -3.44 113.55 107.57 3h5a h SER 318 Ca 0.00 0.00 -0.83 0.00 -1.23 0.00 0.00 61.79 59.73 3h5a h SER 318 Cb 0.35 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.32 3h5a h SER 318 CO 0.00 0.28 0.80 0.18 -0.53 0.00 0.00 176.83 177.56 3h5a n LEU 319 N -2.91 1.52 -0.75 2.23 4.77 -1.23 -1.07 117.00 119.55 3h5a n LEU 319 Ca -0.02 1.11 -0.10 0.00 -0.03 0.00 0.00 56.01 56.97 3h5a n LEU 319 Cb 0.67 -0.96 -0.04 0.00 -2.33 0.00 0.00 43.42 40.76 3h5a n LEU 319 CO 0.40 -0.72 -0.09 0.59 -1.33 0.00 0.00 177.39 176.24 3h5a n ASN 320 N 4.71 -4.85 -3.82 -1.43 4.13 -1.26 -4.94 115.26 107.82 3h5a n ASN 320 Ca 0.32 0.24 -0.13 0.00 1.68 0.00 0.00 54.58 56.69 3h5a n ASN 320 Cb -0.00 -3.21 -0.14 0.00 -1.54 0.00 0.00 39.78 34.89 3h5a n ASN 320 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3h5a s LYS 321 N -2.63 0.07 -0.25 3.52 1.02 -0.24 0.27 119.74 121.50 3h5a s LYS 321 Ca 0.00 0.16 -0.09 0.00 0.02 0.00 0.00 55.97 56.07 3h5a s LYS 321 Cb 0.00 -0.05 -0.04 0.00 -0.52 0.00 0.00 37.83 37.23 3h5a s LYS 321 CO 0.00 -0.06 0.11 0.50 -0.92 0.00 0.00 175.35 174.97 3h5a s ARG 322 N 0.41 3.80 -0.16 1.68 3.52 0.12 -2.84 118.95 125.49 3h5a s ARG 322 Ca -0.03 -0.40 -0.06 0.00 -0.13 0.00 0.00 55.73 55.11 3h5a s ARG 322 Cb -0.05 -3.42 -0.04 0.00 -1.56 0.00 0.00 34.95 29.89 3h5a s ARG 322 CO -0.02 -0.11 0.04 0.42 -0.81 0.00 0.00 175.30 174.82 3h5a s ILE 323 N 1.47 4.62 -0.14 4.11 1.01 -1.00 -0.47 121.20 130.79 3h5a s ILE 323 Ca 0.06 -0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.62 3h5a s ILE 323 Cb -0.15 -3.05 0.00 0.00 0.01 0.00 0.00 42.46 39.27 3h5a s ILE 323 CO 0.06 0.50 -0.19 -0.83 0.00 0.00 0.00 174.94 174.48 3h5a s GLY 324 N 0.12 1.42 -0.26 6.18 0.00 0.06 -1.08 107.32 113.75 3h5a s GLY 324 Ca 0.04 -1.06 -0.09 0.00 0.00 0.00 0.00 44.72 43.62 3h5a s GLY 324 CO 0.01 -0.03 0.11 -0.42 0.00 0.00 0.00 173.10 172.78 3h5a s ILE 325 N 0.77 4.66 0.78 0.90 1.09 0.01 -1.17 121.20 128.25 3h5a s ILE 325 Ca -0.07 -0.05 -0.11 0.00 -1.10 0.00 0.00 60.65 59.31 3h5a s ILE 325 Cb -0.16 -3.20 0.06 0.00 -1.06 0.00 0.00 42.46 38.11 3h5a s ILE 325 CO -0.00 0.31 1.09 0.26 -0.10 0.00 0.00 174.94 176.50 3h5a s TRP 326 N 1.67 2.88 0.00 3.97 0.51 0.03 -2.30 118.94 125.70 3h5a s TRP 326 Ca 0.07 1.17 0.00 0.00 -2.12 0.00 0.00 56.10 55.22 3h5a s TRP 326 Cb -0.15 -3.10 0.00 0.00 -0.81 0.00 0.00 33.47 29.41 3h5a s TRP 326 CO 0.06 -1.69 0.00 -1.13 -0.51 0.00 0.00 176.95 173.68 3h5a n SER 327 N -3.38 4.21 -1.52 2.95 3.41 -1.23 -4.68 113.62 113.37 3h5a n SER 327 Ca 0.07 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.77 3h5a n SER 327 Cb 0.56 0.73 0.34 0.00 -0.26 0.00 0.00 64.21 65.58 3h5a n SER 327 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3h5a n ASP 328 N -1.39 4.51 -3.53 4.04 5.68 -1.26 -4.92 116.55 119.68 3h5a n ASP 328 Ca 0.00 -2.45 -0.12 0.00 -0.50 0.00 0.00 54.79 51.72 3h5a n ASP 328 Cb 0.11 -0.57 -0.05 0.00 -1.14 0.00 0.00 41.12 39.48 3h5a n ASP 328 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 3h5a s GLU 329 N -1.89 0.82 -0.35 0.11 2.12 -1.26 -5.12 118.70 113.14 3h5a s GLU 329 Ca 0.48 0.05 -0.17 0.00 0.36 0.00 0.00 54.97 55.69 3h5a s GLU 329 Cb 0.31 0.39 -0.01 0.00 0.26 0.00 0.00 34.13 35.08 3h5a s GLU 329 CO 0.22 -0.29 0.45 0.42 -0.54 0.00 0.00 175.26 175.52 3h5a s ILE 330 N -1.71 5.08 -0.29 -3.70 1.01 -1.26 -4.51 121.20 115.82 3h5a s ILE 330 Ca -0.03 0.22 -0.16 0.00 0.00 0.00 0.00 60.65 60.68 3h5a s ILE 330 Cb -0.00 -3.90 0.17 0.00 0.01 0.00 0.00 42.46 38.73 3h5a s ILE 330 CO 0.01 -0.16 1.08 -0.75 0.00 0.00 0.00 174.94 175.12 3h5a s LYS 331 N 2.23 0.25 -0.22 2.79 2.20 -1.26 -5.02 119.74 120.71 3h5a s LYS 331 Ca 0.16 0.46 -0.03 0.00 -0.36 0.00 0.00 55.97 56.20 3h5a s LYS 331 Cb -0.16 0.09 0.07 0.00 -1.51 0.00 0.00 37.83 36.32 3h5a s LYS 331 CO 0.13 -0.06 0.05 -1.50 -0.36 0.00 0.00 175.35 173.60 3h5a s ILE 332 N 1.38 0.57 0.04 5.43 2.07 -1.26 -0.79 121.20 128.64 3h5a s ILE 332 Ca -0.08 -0.70 0.01 0.00 -1.41 0.00 0.00 60.65 58.48 3h5a s ILE 332 Cb -0.03 -1.13 -0.04 0.00 0.13 0.00 0.00 42.46 41.38 3h5a s ILE 332 CO -0.14 -0.30 0.10 -1.38 -1.91 0.00 0.00 174.94 171.32 3h5a s HIS 333 N 1.83 3.28 -0.10 3.50 -3.43 -0.31 -4.96 115.29 115.09 3h5a s HIS 333 Ca 0.01 0.16 0.03 0.00 -0.80 0.00 0.00 55.06 54.45 3h5a s HIS 333 Cb -0.17 -1.69 -0.01 0.00 -1.43 0.00 0.00 32.58 29.28 3h5a s HIS 333 CO -0.12 0.55 -0.18 0.45 -2.00 0.00 0.00 174.74 173.44 3h5a s SER 334 N -2.14 3.60 -0.10 7.38 0.15 -1.26 -0.76 113.70 120.57 3h5a s SER 334 Ca 0.28 -0.40 0.01 0.00 0.70 0.00 0.00 55.95 56.53 3h5a s SER 334 Cb -0.12 -1.32 -0.02 0.00 -1.71 0.00 0.00 66.02 62.84 3h5a s SER 334 CO 0.20 0.20 -0.10 -1.58 1.20 0.00 0.00 173.24 173.15 3h5a s GLN 335 N 0.11 3.04 0.12 5.44 0.74 0.38 -4.95 119.66 124.54 3h5a s GLN 335 Ca -0.09 -0.63 -0.31 0.00 0.05 0.00 0.00 55.36 54.38 3h5a s GLN 335 Cb -0.15 -2.60 -0.10 0.00 1.10 0.00 0.00 33.01 31.26 3h5a s GLN 335 CO 0.06 0.44 1.79 1.21 -0.55 0.00 0.00 175.29 178.24 3h5a s ASN 336 N -0.22 6.46 -0.11 6.67 2.47 -1.26 -0.70 114.94 128.24 3h5a s ASN 336 Ca 0.02 2.71 0.23 0.00 0.42 0.00 0.00 52.86 56.24 3h5a s ASN 336 Cb -0.13 -2.57 0.46 0.00 -1.45 0.00 0.00 41.25 37.56 3h5a s ASN 336 CO 0.03 -0.98 1.16 0.23 -3.72 0.00 0.00 177.10 173.81 3h5a n MET 337 N 5.60 0.85 -1.67 0.43 2.81 0.14 -4.82 117.12 120.47 3h5a n MET 337 Ca 0.17 -2.69 -0.30 0.00 -1.81 0.00 0.00 57.70 53.08 3h5a n MET 337 Cb 0.38 -0.75 0.07 0.00 -0.71 0.00 0.00 33.22 32.22 3h5a n MET 337 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3h5a s GLY 338 N -2.74 1.63 0.40 3.03 0.00 -1.17 -4.48 107.32 103.98 3h5a s GLY 338 Ca 0.33 -0.24 -0.27 0.00 0.00 0.00 0.00 44.72 44.55 3h5a s GLY 338 CO -0.11 0.16 1.33 -2.13 0.00 0.00 0.00 173.10 172.35 3h5a n ARG 339 N -3.27 2.14 -5.05 2.90 0.63 -1.09 -4.55 116.66 108.37 3h5a n ARG 339 Ca 0.07 0.76 -0.32 0.00 -0.92 0.00 0.00 57.85 57.43 3h5a n ARG 339 Cb 0.56 -2.44 -0.15 0.00 0.45 0.00 0.00 32.46 30.88 3h5a n ARG 339 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3h5a s SER 340 N -0.40 3.53 0.22 6.15 0.15 -1.26 -5.02 113.70 117.07 3h5a s SER 340 Ca 0.58 -0.39 0.02 0.00 0.70 0.00 0.00 55.95 56.86 3h5a s SER 340 Cb -0.51 -1.07 0.22 0.00 -1.71 0.00 0.00 66.02 62.94 3h5a s SER 340 CO 0.60 0.24 1.55 1.55 1.20 0.00 0.00 173.24 178.38 3h5a h PRO 341 N 6.09 0.32 -0.90 5.44 0.13 -1.96 -3.21 132.00 137.91 3h5a h PRO 341 Ca -0.33 -0.21 -0.22 0.00 -0.87 0.00 0.00 66.00 64.37 3h5a h PRO 341 Cb 1.18 0.03 -0.13 0.00 0.13 0.00 0.00 31.00 32.21 3h5a h PRO 341 CO 0.50 0.82 0.28 1.55 -0.23 0.00 0.00 178.00 180.91 3h5a n VAL 342 N -3.90 2.21 -3.13 1.56 3.14 -1.26 -4.47 118.33 112.49 3h5a n VAL 342 Ca -0.03 -1.13 -0.40 0.00 -2.96 0.00 0.00 64.34 59.83 3h5a n VAL 342 Cb 0.61 -0.55 -0.05 0.00 -1.06 0.00 0.00 33.84 32.79 3h5a n VAL 342 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3h5a h SER 344 N 7.16 0.00 0.02 0.00 4.64 -1.92 0.68 113.55 124.13 3h5a h SER 344 Ca -0.35 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.76 3h5a h SER 344 Cb 1.16 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.23 3h5a h SER 344 CO 0.77 0.00 -1.09 0.58 -0.87 0.00 0.00 176.83 176.22 3h5a h VAL 345 N 0.00 1.07 -0.10 0.95 2.07 -1.97 -3.40 116.25 114.87 3h5a h VAL 345 Ca -0.00 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.28 3h5a h VAL 345 Cb 0.01 2.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 3h5a h VAL 345 CO 0.00 0.44 0.00 0.00 0.02 0.00 0.00 177.57 178.03 3h5a s GLY 347 N -0.92 2.37 -0.66 0.00 0.00 0.23 -4.99 107.32 103.35 3h5a s GLY 347 Ca 0.15 0.17 -0.26 0.00 0.00 0.00 0.00 44.72 44.78 3h5a s GLY 347 CO 0.14 0.41 1.92 -1.31 0.00 0.00 0.00 173.10 174.26 3h5a s ASN 348 N -2.21 5.17 0.28 1.64 0.02 -1.26 -4.84 114.94 113.75 3h5a s ASN 348 Ca 0.56 0.19 0.26 0.00 -1.02 0.00 0.00 52.86 52.85 3h5a s ASN 348 Cb -0.10 -2.53 0.83 0.00 0.02 0.00 0.00 41.25 39.47 3h5a s ASN 348 CO 0.16 -2.50 1.75 0.03 0.02 0.00 0.00 177.10 176.57 3h5a h ARG 349 N 14.56 0.00 -7.14 -0.60 -0.00 -1.94 -3.46 114.38 115.79 3h5a h ARG 349 Ca -0.19 0.00 -0.46 0.00 -0.50 0.00 0.00 59.98 58.83 3h5a h ARG 349 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.11 3h5a h ARG 349 CO 1.21 0.00 0.36 -1.64 0.00 0.00 0.00 179.97 179.90 3h5a s MET 350 N -3.21 4.04 0.05 0.04 1.00 -1.26 -5.11 119.30 114.85 3h5a s MET 350 Ca 0.08 1.03 0.02 0.00 0.00 0.00 0.00 55.69 56.82 3h5a s MET 350 Cb 0.10 -2.15 -0.03 0.00 0.00 0.00 0.00 34.83 32.75 3h5a s MET 350 CO 0.55 -0.19 -0.07 -0.51 0.00 0.00 0.00 175.02 174.80 3h5a s LEU 351 N -3.73 2.32 -0.12 -0.03 1.43 -1.26 -5.16 118.68 112.13 3h5a s LEU 351 Ca 0.60 -0.66 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 3h5a s LEU 351 Cb -0.10 -0.12 -0.01 0.00 0.03 0.00 0.00 46.19 45.99 3h5a s LEU 351 CO 0.24 -0.28 -0.15 -1.61 0.23 0.00 0.00 176.35 174.78 3h5a s GLU 352 N -2.13 3.26 0.00 1.70 2.02 -1.26 -5.01 118.70 117.29 3h5a s GLU 352 Ca -0.05 -0.72 0.04 0.00 0.02 0.00 0.00 54.97 54.25 3h5a s GLU 352 Cb -0.06 -2.55 0.03 0.00 0.10 0.00 0.00 34.13 31.65 3h5a s GLU 352 CO -0.01 0.24 0.62 0.72 0.02 0.00 0.00 175.26 176.84 3h5a n HIS 353 N 3.44 0.00 -3.37 1.61 8.25 -1.26 -5.03 115.22 118.85 3h5a n HIS 353 Ca -0.18 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.00 3h5a n HIS 353 Cb 0.53 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.61 3h5a n HIS 353 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 3h5a s HIS 354 N -0.36 3.48 -0.21 4.41 -3.43 -1.26 -5.13 115.29 112.80 3h5a s HIS 354 Ca 0.05 0.55 -0.29 0.00 -0.80 0.00 0.00 55.06 54.57 3h5a s HIS 354 Cb 0.03 -2.04 0.14 0.00 -1.43 0.00 0.00 32.58 29.29 3h5a s HIS 354 CO 0.05 0.18 1.10 -3.38 -2.00 0.00 0.00 174.74 170.69 3h5a s HIS 355 N -2.12 -0.31 0.01 0.38 -3.43 -1.26 -5.17 115.29 103.40 3h5a s HIS 355 Ca 0.42 0.59 -0.13 0.00 -0.80 0.00 0.00 55.06 55.15 3h5a s HIS 355 Cb -0.11 0.44 -0.06 0.00 -1.43 0.00 0.00 32.58 31.43 3h5a s HIS 355 CO 0.31 -0.24 0.38 -1.58 -2.00 0.00 0.00 174.74 171.61 3h5a s HIS 356 N -0.77 3.68 0.00 0.38 2.46 -1.26 -5.35 115.29 114.44 3h5a s HIS 356 Ca 0.02 0.90 0.00 0.00 0.47 0.00 0.00 55.06 56.45 3h5a s HIS 356 Cb -0.02 -2.23 0.00 0.00 -0.13 0.00 0.00 32.58 30.21 3h5a s HIS 356 CO -0.03 0.62 0.00 -2.39 -2.47 0.00 0.00 174.74 170.48