#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 7.02 0.23 7.83 1.01 -1.26 -4.16 116.67 127.34 3h5a s ASP 2 Ca 0.00 1.22 0.10 0.00 0.71 0.00 0.00 52.55 54.58 3h5a s ASP 2 Cb 0.00 -2.38 -0.04 0.00 1.01 0.00 0.00 42.92 41.50 3h5a s ASP 2 CO 0.00 0.10 -0.09 -0.31 0.21 0.00 0.00 175.17 175.08 3h5a s TYR 3 N -0.23 2.57 -0.01 4.23 1.51 -0.66 0.12 117.35 124.88 3h5a s TYR 3 Ca 0.32 -0.25 -0.08 0.00 -1.01 0.00 0.00 57.07 56.06 3h5a s TYR 3 Cb -0.19 -1.19 0.01 0.00 -0.11 0.00 0.00 41.96 40.48 3h5a s TYR 3 CO 0.18 0.59 0.16 -1.50 -1.11 0.00 0.00 175.55 173.87 3h5a s ILE 4 N -2.06 0.06 0.14 2.71 2.07 -0.15 -1.07 121.20 122.91 3h5a s ILE 4 Ca 0.28 -0.53 -0.30 0.00 -1.41 0.00 0.00 60.65 58.69 3h5a s ILE 4 Cb -0.07 -0.41 -0.07 0.00 0.13 0.00 0.00 42.46 42.04 3h5a s ILE 4 CO 0.16 -0.29 1.08 -0.22 -1.91 0.00 0.00 174.94 173.77 3h5a s LEU 5 N -1.06 4.47 0.43 8.50 2.96 0.71 -0.97 118.68 133.71 3h5a s LEU 5 Ca -0.11 2.00 -0.25 0.00 -0.22 0.00 0.00 54.13 55.55 3h5a s LEU 5 Cb -0.06 -3.60 -0.08 0.00 0.50 0.00 0.00 46.19 42.95 3h5a s LEU 5 CO 0.02 -0.23 1.30 -0.83 -1.32 0.00 0.00 176.35 175.29 3h5a s GLY 6 N 0.12 2.91 0.00 7.98 0.00 0.16 -4.89 107.32 113.60 3h5a s GLY 6 Ca 0.50 1.23 0.26 0.00 0.00 0.00 0.00 44.72 46.72 3h5a s GLY 6 CO 0.33 1.80 1.92 0.54 0.00 0.00 0.00 173.10 177.69 3h5a n ARG 7 N -0.06 0.63 0.00 2.90 5.12 -1.26 -2.99 116.66 121.00 3h5a n ARG 7 Ca 0.05 0.02 0.12 0.00 -1.93 0.00 0.00 57.85 56.10 3h5a n ARG 7 Cb 0.44 -1.50 0.06 0.00 -1.16 0.00 0.00 32.46 30.30 3h5a n ARG 7 CO 0.00 0.00 0.00 2.48 -1.93 0.00 0.00 177.63 178.18 3h5a n TYR 8 N -1.13 0.00 -2.79 -1.55 4.11 -1.26 -4.94 117.16 109.60 3h5a n TYR 8 Ca 0.17 0.00 -0.42 0.00 -0.00 0.00 0.00 57.90 57.65 3h5a n TYR 8 Cb 0.14 -0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.45 3h5a n TYR 8 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 3h5a s VAL 9 N -2.27 4.87 0.19 -3.48 0.11 -1.16 -4.36 120.40 114.29 3h5a s VAL 9 Ca 0.23 1.86 0.10 0.00 -2.93 0.00 0.00 61.98 61.25 3h5a s VAL 9 Cb 0.19 -4.23 -0.04 0.00 -1.53 0.00 0.00 36.38 30.76 3h5a s VAL 9 CO 0.45 0.08 -0.17 -0.54 -3.33 0.00 0.00 175.10 171.60 3h5a s LYS 10 N 1.62 1.80 -0.01 1.54 1.02 -1.26 -4.87 119.74 119.58 3h5a s LYS 10 Ca 0.45 -1.39 0.03 0.00 0.02 0.00 0.00 55.97 55.09 3h5a s LYS 10 Cb -0.18 -2.01 -0.01 0.00 -0.52 0.00 0.00 37.83 35.11 3h5a s LYS 10 CO 0.19 0.42 -0.11 0.42 -0.92 0.00 0.00 175.35 175.35 3h5a s ILE 11 N -1.68 0.89 -0.01 2.17 1.01 -1.26 -0.58 121.20 121.74 3h5a s ILE 11 Ca 0.23 -0.51 -0.23 0.00 0.00 0.00 0.00 60.65 60.14 3h5a s ILE 11 Cb -0.08 -0.75 0.05 0.00 0.01 0.00 0.00 42.46 41.69 3h5a s ILE 11 CO 0.13 0.23 0.51 0.00 0.00 0.00 0.00 174.94 175.81 3h5a s ALA 12 N -0.30 -1.31 0.21 9.38 0.00 -1.05 -5.02 121.76 123.67 3h5a s ALA 12 Ca 0.04 0.76 -0.30 0.00 0.00 0.00 0.00 51.96 52.46 3h5a s ALA 12 Cb -0.05 0.15 -0.08 0.00 0.00 0.00 0.00 23.12 23.15 3h5a s ALA 12 CO -0.00 -0.38 1.01 0.50 0.00 0.00 0.00 175.76 176.89 3h5a s ARG 13 N -1.67 4.72 -0.30 0.00 3.52 -1.26 -0.76 118.95 123.20 3h5a s ARG 13 Ca -0.10 1.59 -0.17 0.00 -0.13 0.00 0.00 55.73 56.93 3h5a s ARG 13 Cb -0.02 -3.28 0.21 0.00 -1.56 0.00 0.00 34.95 30.30 3h5a s ARG 13 CO 0.04 0.30 1.28 -0.47 -0.81 0.00 0.00 175.30 175.64 3h5a s TYR 14 N -0.71 -0.05 0.00 5.12 5.04 -1.04 -4.89 117.35 120.81 3h5a s TYR 14 Ca 0.45 0.10 0.00 0.00 -2.44 0.00 0.00 57.07 55.18 3h5a s TYR 14 Cb -0.27 0.03 0.00 0.00 0.35 0.00 0.00 41.96 42.07 3h5a s TYR 14 CO 0.34 -0.03 0.00 0.41 -1.34 0.00 0.00 175.55 174.93 3h5a n GLY 15 N 3.48 0.07 0.14 8.97 0.00 -1.26 -3.18 105.19 113.42 3h5a n GLY 15 Ca -0.14 -0.96 0.14 0.00 0.00 0.00 0.00 46.02 45.06 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 0.26 0.44 0.00 1.61 3.41 -1.26 -4.85 113.62 113.23 3h5a n SER 16 Ca 0.00 -1.20 0.00 0.00 -0.26 0.00 0.00 58.87 57.41 3h5a n SER 16 Cb 0.00 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 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 1.02 3.15 3.82 5.00 0.00 -1.07 -2.68 105.19 114.44 3h5a n GLY 17 Ca 0.21 -0.25 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 3h5a n GLY 17 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h5a s GLY 18 N 0.00 0.33 -0.10 -0.02 0.00 -0.91 -2.50 107.32 104.12 3h5a s GLY 18 Ca 0.00 -0.67 -0.02 0.00 0.00 0.00 0.00 44.72 44.02 3h5a s GLY 18 CO 0.00 0.34 0.00 1.08 0.00 0.00 0.00 173.10 174.52 3h5a s LEU 19 N -3.16 3.58 -0.07 0.66 1.43 0.06 -1.06 118.68 120.12 3h5a s LEU 19 Ca 0.17 0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.42 3h5a s LEU 19 Cb -0.05 -1.83 0.01 0.00 0.03 0.00 0.00 46.19 44.36 3h5a s LEU 19 CO 0.10 0.35 -0.14 -0.69 0.23 0.00 0.00 176.35 176.21 3h5a s VAL 20 N -0.73 1.26 0.00 -1.59 1.01 -0.71 -2.53 120.40 117.11 3h5a s VAL 20 Ca 0.11 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.55 3h5a s VAL 20 Cb -0.12 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.12 3h5a s VAL 20 CO 0.02 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.12 3h5a n GLY 21 N 3.82 -0.89 3.05 4.51 0.00 0.25 -1.22 105.19 114.71 3h5a n GLY 21 Ca -0.22 -1.68 -0.09 0.00 0.00 0.00 0.00 46.02 44.04 3h5a n GLY 21 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h5a s GLY 22 N -2.48 0.25 0.00 -0.02 0.00 -1.26 -4.36 107.32 99.45 3h5a s GLY 22 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 44.72 44.06 3h5a s GLY 22 CO 0.00 -0.77 0.00 0.61 0.00 0.00 0.00 173.10 172.94 3h5a n GLY 23 N 1.06 0.19 0.32 0.20 0.00 -1.26 -4.03 105.19 101.66 3h5a n GLY 23 Ca -0.20 -0.91 0.14 0.00 0.00 0.00 0.00 46.02 45.05 3h5a n GLY 23 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3h5a h GLY 24 N 0.00 1.29 -2.20 -0.02 0.00 -2.03 -0.71 103.07 99.41 3h5a h GLY 24 Ca 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 3h5a h GLY 24 CO 0.00 -0.44 0.00 1.17 0.00 0.00 0.00 176.54 177.27 3h5a n LYS 25 N -5.36 2.80 -2.35 4.80 0.00 -1.26 -4.93 118.16 111.87 3h5a n LYS 25 Ca 0.22 -1.46 -0.41 0.00 0.00 0.00 0.00 58.31 56.66 3h5a n LYS 25 Cb 0.72 -1.85 -0.03 0.00 0.00 0.00 0.00 35.03 33.86 3h5a n LYS 25 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 3h5a s GLU 26 N -1.82 4.49 -0.05 1.64 2.12 -0.27 -4.69 118.70 120.12 3h5a s GLU 26 Ca 0.25 1.91 0.05 0.00 0.36 0.00 0.00 54.97 57.55 3h5a s GLU 26 Cb 0.19 -3.21 -0.02 0.00 0.26 0.00 0.00 34.13 31.35 3h5a s GLU 26 CO 0.07 -0.07 -0.19 -0.65 -0.54 0.00 0.00 175.26 173.89 3h5a s GLN 27 N -0.56 2.44 -0.18 4.30 -1.52 -0.36 -5.00 119.66 118.79 3h5a s GLN 27 Ca 0.52 -0.78 -0.04 0.00 -1.95 0.00 0.00 55.36 53.11 3h5a s GLN 27 Cb -0.34 -2.28 -0.02 0.00 -0.22 0.00 0.00 33.01 30.16 3h5a s GLN 27 CO 0.39 0.56 -0.04 -0.47 -0.25 0.00 0.00 175.29 175.48 3h5a s TYR 28 N -0.58 2.98 -0.13 0.91 5.04 -1.26 -1.74 117.35 122.57 3h5a s TYR 28 Ca 0.08 -0.53 0.02 0.00 -2.44 0.00 0.00 57.07 54.21 3h5a s TYR 28 Cb -0.11 -2.00 -0.00 0.00 0.35 0.00 0.00 41.96 40.19 3h5a s TYR 28 CO 0.01 -0.22 -0.19 0.54 -1.34 0.00 0.00 175.55 174.34 3h5a s VAL 29 N 0.77 2.39 0.01 3.14 0.11 -0.22 -5.01 120.40 121.58 3h5a s VAL 29 Ca -0.02 -0.88 -0.09 0.00 -2.93 0.00 0.00 61.98 58.06 3h5a s VAL 29 Cb -0.15 -1.97 -0.05 0.00 -1.53 0.00 0.00 36.38 32.69 3h5a s VAL 29 CO 0.02 0.54 0.94 -0.33 -3.33 0.00 0.00 175.10 172.94 3h5a h GLU 30 N 7.03 -0.33 -5.98 1.54 3.07 -1.89 -2.42 114.58 115.60 3h5a h GLU 30 Ca -0.27 0.02 -0.53 0.00 -0.50 0.00 0.00 59.36 58.08 3h5a h GLU 30 Cb 1.21 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 29.18 3h5a h GLU 30 CO 0.53 -0.22 1.43 1.21 -1.40 0.00 0.00 179.01 180.56 3h5a s ASN 31 N -2.85 5.28 0.39 1.42 3.84 -1.26 -2.59 114.94 119.17 3h5a s ASN 31 Ca -0.05 1.13 0.13 0.00 0.21 0.00 0.00 52.86 54.28 3h5a s ASN 31 Cb 0.00 -2.52 0.95 0.00 -0.55 0.00 0.00 41.25 39.14 3h5a s ASN 31 CO 0.15 -2.22 1.87 0.25 -2.79 0.00 0.00 177.10 174.36 3h5a h LEU 32 N 16.13 0.52 -0.67 3.21 5.85 -1.79 -1.13 115.31 137.43 3h5a h LEU 32 Ca -0.31 0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.34 3h5a h LEU 32 Cb 1.21 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 3h5a h LEU 32 CO 1.09 0.24 -0.19 -0.37 -0.34 0.00 0.00 178.44 178.88 3h5a h VAL 33 N 0.54 1.27 -0.28 1.05 -1.51 -1.89 -1.93 116.25 113.49 3h5a h VAL 33 Ca 0.44 -1.31 -0.01 0.00 -1.23 0.00 0.00 66.70 64.59 3h5a h VAL 33 Cb 0.90 1.15 -0.01 0.00 -2.13 0.00 0.00 31.29 31.19 3h5a h VAL 33 CO -0.18 0.44 0.12 0.25 -1.23 0.00 0.00 177.57 176.97 3h5a h LEU 34 N 0.73 0.38 -0.69 4.19 5.85 -1.66 -2.70 115.31 121.41 3h5a h LEU 34 Ca 0.11 -0.15 0.11 0.00 0.84 0.00 0.00 57.88 58.79 3h5a h LEU 34 Cb 0.71 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.56 3h5a h LEU 34 CO 0.05 0.42 0.29 -0.25 -0.34 0.00 0.00 178.44 178.61 3h5a h TRP 35 N 0.32 0.50 -0.50 1.25 7.01 -0.99 0.24 115.95 123.77 3h5a h TRP 35 Ca 0.10 0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.17 3h5a h TRP 35 Cb 0.15 -0.12 -0.04 0.00 -2.10 0.00 0.00 29.16 27.05 3h5a h TRP 35 CO -0.01 0.11 0.24 0.93 -2.79 0.00 0.00 178.44 176.92 3h5a h GLU 36 N 0.47 0.46 -0.36 2.65 3.07 -1.32 -1.79 114.58 117.76 3h5a h GLU 36 Ca 0.36 -0.03 -0.11 0.00 -0.50 0.00 0.00 59.36 59.08 3h5a h GLU 36 Cb 0.48 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 3h5a h GLU 36 CO -0.34 0.30 -0.25 -0.91 -1.40 0.00 0.00 179.01 176.42 3h5a h ASN 37 N 0.47 0.73 -0.14 1.42 4.21 -0.63 0.62 115.58 122.26 3h5a h ASN 37 Ca 0.22 -0.27 -0.00 0.00 1.21 0.00 0.00 56.30 57.46 3h5a h ASN 37 Cb 0.14 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.14 3h5a h ASN 37 CO -0.16 0.95 0.08 0.40 -1.29 0.00 0.00 177.43 177.41 3h5a h ILE 38 N 0.63 1.07 -0.60 2.81 2.04 -0.46 0.72 117.51 123.71 3h5a h ILE 38 Ca 0.08 -0.16 0.08 0.00 1.00 0.00 0.00 64.86 65.86 3h5a h ILE 38 Cb 0.74 0.92 -0.06 0.00 -0.74 0.00 0.00 36.82 37.68 3h5a h ILE 38 CO 0.06 0.06 0.25 0.40 0.00 0.00 0.00 178.15 178.92 3h5a h ILE 39 N 0.16 0.83 -0.17 -0.67 2.04 -0.68 0.21 117.51 119.23 3h5a h ILE 39 Ca 0.05 -0.16 0.01 0.00 1.00 0.00 0.00 64.86 65.76 3h5a h ILE 39 Cb 0.03 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 3h5a h ILE 39 CO -0.01 0.08 0.09 0.11 0.00 0.00 0.00 178.15 178.43 3h5a h LYS 40 N 0.46 0.19 -0.27 2.37 1.57 -0.56 -1.54 116.57 118.79 3h5a h LYS 40 Ca 0.29 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.05 3h5a h LYS 40 Cb 0.31 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 3h5a h LYS 40 CO -0.26 0.13 0.14 1.15 -0.57 0.00 0.00 179.45 180.03 3h5a h THR 41 N 0.20 1.14 -0.52 -0.16 2.02 -0.40 -3.07 112.91 112.11 3h5a h THR 41 Ca 0.06 -0.38 0.08 0.00 0.77 0.00 0.00 66.41 66.95 3h5a h THR 41 Cb -0.00 0.89 -0.06 0.00 -1.74 0.00 0.00 68.15 67.24 3h5a h THR 41 CO -0.03 0.14 0.16 0.00 0.37 0.00 0.00 175.52 176.15 3h5a h ALA 42 N 1.01 0.63 -0.75 6.16 0.00 -0.25 -1.54 119.26 124.51 3h5a h ALA 42 Ca 0.09 0.08 0.14 0.00 0.00 0.00 0.00 54.91 55.23 3h5a h ALA 42 Cb 0.09 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.87 3h5a h ALA 42 CO -0.01 -0.24 0.30 -0.92 0.00 0.00 0.00 179.25 178.37 3h5a h TYR 43 N 0.32 0.51 0.00 0.00 3.20 -1.19 -0.02 116.97 119.78 3h5a h TYR 43 Ca 0.26 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.16 3h5a h TYR 43 Cb 0.31 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.47 3h5a h TYR 43 CO -0.19 0.06 -0.01 0.00 -1.64 0.00 0.00 178.16 176.38 3h5a n PHE 45 N -3.67 1.84 0.10 0.00 3.01 -0.03 -4.39 117.46 114.33 3h5a n PHE 45 Ca -0.03 -0.71 -0.02 0.00 1.01 0.00 0.00 57.45 57.70 3h5a n PHE 45 Cb 0.10 -0.43 0.22 0.00 -0.01 0.00 0.00 39.48 39.36 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 3.84 1.32 -3.06 4.37 2.04 -1.42 0.20 117.51 124.80 3h5a h ILE 46 Ca 0.00 -1.59 -0.66 0.00 1.00 0.00 0.00 64.86 63.61 3h5a h ILE 46 Cb 1.80 1.75 -0.10 0.00 -0.74 0.00 0.00 36.82 39.54 3h5a h ILE 46 CO 0.40 0.47 -0.57 0.42 0.00 0.00 0.00 178.15 178.88 3h5a s THR 47 N -4.07 4.81 -0.26 -0.27 -4.23 -1.26 -4.54 115.64 105.82 3h5a s THR 47 Ca -0.04 -0.32 -0.28 0.00 -1.18 0.00 0.00 61.69 59.87 3h5a s THR 47 Cb 0.13 -3.18 -0.04 0.00 1.34 0.00 0.00 72.50 70.76 3h5a s THR 47 CO 0.77 0.40 2.03 -2.16 -0.54 0.00 0.00 174.62 175.12 3h5a s PRO 48 N -1.60 3.24 0.02 3.99 0.04 -1.26 -4.75 135.00 134.67 3h5a s PRO 48 Ca 0.21 1.77 -0.08 0.00 0.04 0.00 0.00 61.00 62.95 3h5a s PRO 48 Cb -0.12 -4.29 0.00 0.00 0.04 0.00 0.00 34.50 30.13 3h5a s PRO 48 CO 0.12 -1.98 0.16 -1.54 0.04 0.00 0.00 177.00 173.80 3h5a s SER 49 N 7.26 0.04 0.84 6.66 1.04 -0.23 -4.83 113.70 124.48 3h5a s SER 49 Ca 0.91 -0.29 -0.11 0.00 0.48 0.00 0.00 55.95 56.95 3h5a s SER 49 Cb -0.28 0.24 0.10 0.00 0.10 0.00 0.00 66.02 66.17 3h5a s SER 49 CO 0.34 -0.45 1.11 -0.94 0.98 0.00 0.00 173.24 174.28 3h5a s SER 50 N -1.69 3.83 0.21 7.02 1.04 -1.26 -1.66 113.70 121.19 3h5a s SER 50 Ca -0.11 1.89 -0.13 0.00 0.48 0.00 0.00 55.95 58.08 3h5a s SER 50 Cb -0.05 -2.49 0.25 0.00 0.10 0.00 0.00 66.02 63.83 3h5a s SER 50 CO -0.01 -2.47 1.64 0.22 0.98 0.00 0.00 173.24 173.60 3h5a h TYR 51 N -1.43 -0.22 -0.23 5.02 3.20 -1.98 -0.88 116.97 120.45 3h5a h TYR 51 Ca -0.44 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.43 3h5a h TYR 51 Cb 1.25 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.71 3h5a h TYR 51 CO 0.53 -0.23 -0.02 1.15 -1.64 0.00 0.00 178.16 177.95 3h5a h THR 52 N 0.04 1.27 -0.67 1.81 2.02 -1.95 -2.08 112.91 113.34 3h5a h THR 52 Ca 0.30 -0.95 -0.03 0.00 0.77 0.00 0.00 66.41 66.49 3h5a h THR 52 Cb 0.47 1.44 -0.03 0.00 -1.74 0.00 0.00 68.15 68.29 3h5a h THR 52 CO -0.59 0.29 0.29 0.00 0.37 0.00 0.00 175.52 175.88 3h5a h ALA 53 N 0.78 1.24 -0.17 6.16 0.00 -1.80 -1.67 119.26 123.81 3h5a h ALA 53 Ca 0.06 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3h5a h ALA 53 Cb 0.45 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3h5a h ALA 53 CO 0.02 0.56 -0.04 0.00 0.00 0.00 0.00 179.25 179.79 3h5a h ALA 54 N 1.35 0.23 -0.84 0.00 0.00 -1.16 -3.21 119.26 115.64 3h5a h ALA 54 Ca 0.23 -0.24 0.13 0.00 0.00 0.00 0.00 54.91 55.03 3h5a h ALA 54 Cb 0.15 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.80 3h5a h ALA 54 CO -0.02 -0.00 0.45 1.25 0.00 0.00 0.00 179.25 180.92 3h5a h LEU 55 N 0.03 0.57 0.00 0.00 5.85 -1.09 -1.76 115.31 118.90 3h5a h LEU 55 Ca 0.04 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3h5a h LEU 55 Cb 0.48 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.49 3h5a h LEU 55 CO 0.02 0.27 0.00 1.21 -0.34 0.00 0.00 178.44 179.60 3h5a n GLU 56 N -4.83 0.00 0.00 1.25 0.00 -0.65 -0.96 120.64 115.45 3h5a n GLU 56 Ca 0.16 0.32 0.00 0.00 0.00 0.00 0.00 57.16 57.64 3h5a n GLU 56 Cb 0.39 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.33 3h5a n GLU 56 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3h5a n THR 57 N -1.32 0.45 -3.19 6.31 -2.24 -0.67 -5.03 114.28 108.59 3h5a n THR 57 Ca 0.00 -0.70 -0.34 0.00 -2.27 0.00 0.00 64.05 60.74 3h5a n THR 57 Cb 0.00 0.80 -0.06 0.00 -2.10 0.00 0.00 70.33 68.97 3h5a n THR 57 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h5a s ALA 58 N -0.45 3.42 -0.10 6.98 0.00 -0.13 -5.01 121.76 126.46 3h5a s ALA 58 Ca 0.00 0.01 0.07 0.00 0.00 0.00 0.00 51.96 52.05 3h5a s ALA 58 Cb 0.00 -2.71 -0.24 0.00 0.00 0.00 0.00 23.12 20.18 3h5a s ALA 58 CO 0.00 0.37 0.44 0.09 0.00 0.00 0.00 175.76 176.66 3h5a n ASN 59 N 0.16 1.18 -4.71 0.00 3.02 -1.26 -4.98 115.26 108.67 3h5a n ASN 59 Ca 0.00 0.26 -0.31 0.00 -0.03 0.00 0.00 54.58 54.50 3h5a n ASN 59 Cb 0.52 -0.16 0.13 0.00 -0.61 0.00 0.00 39.78 39.66 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 -2.57 2.56 0.23 2.41 -4.36 -1.26 -4.94 121.20 113.27 3h5a s ILE 60 Ca -0.12 0.19 -0.30 0.00 -0.26 0.00 0.00 60.65 60.15 3h5a s ILE 60 Cb 0.07 -2.41 -0.09 0.00 1.25 0.00 0.00 42.46 41.28 3h5a s ILE 60 CO 0.79 -0.23 1.31 -2.84 0.24 0.00 0.00 174.94 174.21 3h5a s PRO 61 N -4.70 4.39 0.21 0.37 0.02 -1.26 -4.87 135.00 129.15 3h5a s PRO 61 Ca 0.65 2.09 0.14 0.00 0.02 0.00 0.00 61.00 63.90 3h5a s PRO 61 Cb -0.21 -3.17 0.74 0.00 0.02 0.00 0.00 34.50 31.88 3h5a s PRO 61 CO 0.56 -0.23 0.82 -1.91 -0.33 0.00 0.00 177.00 175.91 3h5a n GLU 62 N 2.24 -0.03 0.12 5.54 4.07 -1.26 -1.71 120.64 129.62 3h5a n GLU 62 Ca 0.05 0.69 -0.14 0.00 -0.06 0.00 0.00 57.16 57.71 3h5a n GLU 62 Cb 0.42 -1.29 -0.08 0.00 -0.06 0.00 0.00 31.44 30.43 3h5a n GLU 62 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 3h5a h LYS 63 N 0.00 -0.27 -0.17 5.31 1.79 -2.02 -2.80 116.57 118.41 3h5a h LYS 63 Ca 0.45 0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.90 3h5a h LYS 63 Cb 1.31 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 32.01 3h5a h LYS 63 CO -0.33 -0.04 -0.09 -0.44 -1.08 0.00 0.00 179.45 177.46 3h5a h ASP 64 N -0.46 0.24 -0.89 0.86 3.32 -1.71 -2.27 116.42 115.52 3h5a h ASP 64 Ca -0.03 -0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.01 3h5a h ASP 64 Cb 0.35 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.78 3h5a h ASP 64 CO 0.05 0.37 0.58 0.15 -1.72 0.00 0.00 179.24 178.66 3h5a h PHE 65 N 0.25 1.08 -0.27 4.55 3.57 -1.43 -1.86 116.94 122.83 3h5a h PHE 65 Ca 0.05 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 3h5a h PHE 65 Cb 0.33 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 3h5a h PHE 65 CO 0.01 0.62 -0.04 1.03 -2.23 0.00 0.00 178.31 177.70 3h5a h SER 66 N 1.12 0.39 0.21 0.41 0.87 -1.14 -0.80 113.55 114.60 3h5a h SER 66 Ca 0.36 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.83 3h5a h SER 66 Cb 0.01 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 3h5a h SER 66 CO -0.12 0.48 -0.10 0.78 -0.53 0.00 0.00 176.83 177.34 3h5a h ASN 67 N 0.40 -0.24 -0.33 6.23 2.35 -1.40 -2.57 115.58 120.02 3h5a h ASN 67 Ca 0.09 -0.29 0.06 0.00 -0.55 0.00 0.00 56.30 55.61 3h5a h ASN 67 Cb 0.33 0.06 -0.05 0.00 0.05 0.00 0.00 38.32 38.71 3h5a h ASN 67 CO 0.01 0.22 0.02 0.00 -1.65 0.00 0.00 177.43 176.04 3h5a h PHE 69 N 0.13 -1.26 -0.84 0.00 3.57 -1.20 0.14 116.94 117.47 3h5a h PHE 69 Ca 0.16 0.04 0.18 0.00 3.53 0.00 0.00 57.97 61.89 3h5a h PHE 69 Cb 0.21 0.56 -0.11 0.00 2.79 0.00 0.00 35.95 39.39 3h5a h PHE 69 CO -0.22 -0.45 0.35 0.00 -2.23 0.00 0.00 178.31 175.77 3h5a h ARG 70 N -0.51 0.42 0.44 1.11 3.08 -1.34 0.54 114.38 118.12 3h5a h ARG 70 Ca 0.01 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 3h5a h ARG 70 Cb 0.56 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 3h5a h ARG 70 CO -0.30 0.28 -0.28 0.35 -1.07 0.00 0.00 179.97 178.94 3h5a h PHE 71 N 0.43 -0.76 -0.77 3.04 3.57 -0.64 -0.41 116.94 121.41 3h5a h PHE 71 Ca 0.49 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 62.11 3h5a h PHE 71 Cb 0.85 0.27 -0.05 0.00 2.79 0.00 0.00 35.95 39.81 3h5a h PHE 71 CO -0.15 -0.42 0.50 -0.07 -2.23 0.00 0.00 178.31 175.94 3h5a h LEU 72 N -0.68 0.52 0.10 0.59 3.38 -0.22 -1.26 115.31 117.74 3h5a h LEU 72 Ca -0.06 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3h5a h LEU 72 Cb 0.55 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3h5a h LEU 72 CO 0.05 0.29 -0.05 0.50 0.09 0.00 0.00 178.44 179.32 3h5a h LYS 73 N 0.56 -0.13 -0.73 1.13 3.64 0.17 -0.17 116.57 121.04 3h5a h LYS 73 Ca 0.37 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.69 3h5a h LYS 73 Cb 0.65 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.47 3h5a h LYS 73 CO -0.13 0.28 0.21 0.93 -2.27 0.00 0.00 179.45 178.47 3h5a h GLU 74 N -0.58 1.15 0.00 1.90 5.08 -0.59 -2.37 114.58 119.17 3h5a h GLU 74 Ca -0.01 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3h5a h GLU 74 Cb 0.47 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3h5a h GLU 74 CO 0.02 0.99 0.00 0.09 -1.00 0.00 0.00 179.01 179.11 3h5a n ASN 75 N -4.24 0.00 -0.95 1.42 3.02 -0.52 -4.92 115.26 109.07 3h5a n ASN 75 Ca 0.06 0.07 -0.09 0.00 -0.03 0.00 0.00 54.58 54.59 3h5a n ASN 75 Cb 0.24 -0.32 -0.01 0.00 -0.61 0.00 0.00 39.78 39.08 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 -1.32 -0.32 0.13 3.10 3.72 -0.89 -4.94 117.46 116.94 3h5a n PHE 76 Ca 0.09 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.27 3h5a n PHE 76 Cb 0.18 -2.17 -0.15 0.00 -0.94 0.00 0.00 39.48 36.39 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 0.83 -3.43 1.38 0.05 -1.29 -3.43 116.94 111.05 3h5a h PHE 77 Ca -0.21 -0.61 -0.66 0.00 3.82 0.00 0.00 57.97 60.31 3h5a h PHE 77 Cb 1.01 -0.03 -0.14 0.00 2.00 0.00 0.00 35.95 38.79 3h5a h PHE 77 CO 0.25 1.48 -0.67 0.96 -0.18 0.00 0.00 178.31 180.15 3h5a s ILE 78 N -2.62 3.96 0.05 -0.55 -4.36 -0.82 -0.67 121.20 116.19 3h5a s ILE 78 Ca -0.07 -0.76 0.00 0.00 -0.26 0.00 0.00 60.65 59.56 3h5a s ILE 78 Cb 0.05 -2.79 -0.03 0.00 1.25 0.00 0.00 42.46 40.94 3h5a s ILE 78 CO 0.93 0.31 -0.04 0.27 0.24 0.00 0.00 174.94 176.64 3h5a s ILE 79 N -1.12 0.31 0.16 8.37 -4.36 -0.15 -4.47 121.20 119.94 3h5a s ILE 79 Ca 0.20 -1.41 -0.33 0.00 -0.26 0.00 0.00 60.65 58.86 3h5a s ILE 79 Cb -0.11 -0.97 -0.16 0.00 1.25 0.00 0.00 42.46 42.46 3h5a s ILE 79 CO 0.12 -0.71 1.02 -2.65 0.24 0.00 0.00 174.94 172.96 3h5a n PRO 80 N 0.81 0.79 0.14 0.37 -0.02 -1.26 -0.98 135.00 134.84 3h5a n PRO 80 Ca -0.18 0.28 0.15 0.00 -2.02 0.00 0.00 63.50 61.73 3h5a n PRO 80 Cb 0.58 -1.68 0.70 0.00 -0.02 0.00 0.00 33.50 33.08 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 2.79 0.00 1.27 -1.23 0.00 -0.62 -2.34 103.07 102.94 3h5a h GLY 81 Ca -0.41 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 3h5a h GLY 81 CO 0.66 0.00 0.24 0.83 0.00 0.00 0.00 176.54 178.27 3h5a h GLU 82 N 0.00 0.93 0.00 4.80 3.07 -1.89 -2.74 114.58 118.75 3h5a h GLU 82 Ca 0.13 -0.16 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3h5a h GLU 82 Cb 0.53 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 3h5a h GLU 82 CO -0.00 0.77 0.00 0.66 -1.40 0.00 0.00 179.01 179.04 3h5a n TYR 83 N -4.30 0.00 0.65 4.33 4.02 -0.88 -2.33 117.16 118.65 3h5a n TYR 83 Ca 0.05 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 58.02 3h5a n TYR 83 Cb 0.18 -0.01 0.03 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 -1.01 1.90 -4.69 7.72 5.15 -1.03 -4.62 115.26 118.68 3h5a n ASN 84 Ca 0.01 -1.45 -0.53 0.00 -0.60 0.00 0.00 54.58 52.01 3h5a n ASN 84 Cb 0.01 0.24 -0.06 0.00 -0.53 0.00 0.00 39.78 39.44 3h5a n ASN 84 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3h5a n ASN 85 N 0.34 2.69 0.00 1.20 3.02 -0.98 -4.92 115.26 116.61 3h5a n ASN 85 Ca 0.08 1.05 0.00 0.00 -0.03 0.00 0.00 54.58 55.67 3h5a n ASN 85 Cb 0.35 -1.23 0.00 0.00 -0.61 0.00 0.00 39.78 38.28 3h5a n ASN 85 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3h5a n SER 86 N 5.41 0.00 -1.08 6.41 7.64 -1.26 -5.06 113.62 125.68 3h5a n SER 86 Ca 0.24 0.83 0.07 0.00 1.01 0.00 0.00 58.87 61.02 3h5a n SER 86 Cb 0.20 -0.49 -0.04 0.00 -1.01 0.00 0.00 64.21 62.87 3h5a n SER 86 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3h5a n THR 87 N -1.97 -1.32 -1.29 0.44 -1.04 -1.26 -4.62 114.28 103.23 3h5a n THR 87 Ca 0.00 0.85 -0.35 0.00 -2.04 0.00 0.00 64.05 62.51 3h5a n THR 87 Cb 0.00 -1.35 -0.08 0.00 -1.82 0.00 0.00 70.33 67.07 3h5a n THR 87 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 3h5a n GLU 88 N -3.06 0.90 -0.19 -2.82 0.00 -1.26 -3.80 120.64 110.41 3h5a n GLU 88 Ca -0.04 -1.76 0.00 0.00 0.00 0.00 0.00 57.16 55.36 3h5a n GLU 88 Cb 0.43 -3.19 0.00 0.00 0.00 0.00 0.00 31.44 28.68 3h5a n GLU 88 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 3h5a n ASN 89 N 11.77 0.00 -1.01 -1.84 0.23 -1.26 -4.54 115.26 118.61 3h5a n ASN 89 Ca 0.46 0.00 -0.00 0.00 -0.53 0.00 0.00 54.58 54.51 3h5a n ASN 89 Cb 0.43 -1.66 -0.00 0.00 -2.08 0.00 0.00 39.78 36.47 3h5a n ASN 89 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 3h5a n ASN 90 N 0.00 -0.24 0.00 0.53 5.15 -1.25 -3.48 115.26 115.98 3h5a n ASN 90 Ca 0.00 0.10 0.00 0.00 -0.60 0.00 0.00 54.58 54.08 3h5a n ASN 90 Cb 0.00 -0.23 0.00 0.00 -0.53 0.00 0.00 39.78 39.02 3h5a n ASN 90 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 3h5a n ARG 91 N -0.60 0.00 -1.03 1.20 0.63 -1.26 -3.93 116.66 111.66 3h5a n ARG 91 Ca 0.00 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.87 3h5a n ARG 91 Cb 0.11 -0.27 0.31 0.00 0.45 0.00 0.00 32.46 33.06 3h5a n ARG 91 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3h5a n TYR 92 N 0.00 2.47 -0.19 -0.14 4.02 -1.26 -4.49 117.16 117.57 3h5a n TYR 92 Ca 0.00 -1.21 -0.06 0.00 -0.01 0.00 0.00 57.90 56.62 3h5a n TYR 92 Cb 0.00 -0.69 0.09 0.00 -0.02 0.00 0.00 39.34 38.72 3h5a n TYR 92 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 3h5a h SER 93 N 2.69 0.96 0.37 7.72 0.02 -1.68 -2.59 113.55 121.04 3h5a h SER 93 Ca 0.27 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3h5a h SER 93 Cb 2.35 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 64.64 3h5a h SER 93 CO 0.75 0.96 0.00 0.54 -1.14 0.00 0.00 176.83 177.93 3h5a n ARG 94 N -4.22 0.02 0.00 3.45 3.00 -1.26 -1.55 116.66 116.10 3h5a n ARG 94 Ca 0.04 0.29 0.06 0.00 -0.01 0.00 0.00 57.85 58.23 3h5a n ARG 94 Cb 0.28 -1.50 -0.08 0.00 0.00 0.00 0.00 32.46 31.17 3h5a n ARG 94 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 3h5a n ASN 95 N -1.47 0.66 0.02 0.55 3.02 -1.00 -4.66 115.26 112.37 3h5a n ASN 95 Ca 0.03 -0.83 -0.19 0.00 -0.03 0.00 0.00 54.58 53.56 3h5a n ASN 95 Cb 0.13 0.99 -0.09 0.00 -0.61 0.00 0.00 39.78 40.20 3h5a n ASN 95 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 3h5a h PHE 96 N 0.03 1.06 -0.75 3.10 -1.00 -0.97 -2.89 116.94 115.51 3h5a h PHE 96 Ca 0.00 -0.54 -0.05 0.00 2.81 0.00 0.00 57.97 60.20 3h5a h PHE 96 Cb 0.33 -0.14 -0.03 0.00 3.61 0.00 0.00 35.95 39.72 3h5a h PHE 96 CO 0.00 1.37 0.28 -0.07 -1.61 0.00 0.00 178.31 178.29 3h5a h LEU 97 N 0.45 1.04 -0.10 1.54 3.38 -1.83 -0.67 115.31 119.12 3h5a h LEU 97 Ca -0.10 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.74 3h5a h LEU 97 Cb 1.60 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 42.03 3h5a h LEU 97 CO 0.19 0.93 -0.20 -0.74 0.09 0.00 0.00 178.44 178.71 3h5a h HIS 98 N 1.09 -0.51 -0.70 1.13 2.76 -1.82 -0.80 115.15 116.30 3h5a h HIS 98 Ca 0.25 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.41 3h5a h HIS 98 Cb 0.23 0.24 -0.03 0.00 1.55 0.00 0.00 27.41 29.40 3h5a h HIS 98 CO 0.02 -0.27 0.29 1.88 -1.30 0.00 0.00 177.93 178.54 3h5a h TYR 99 N -0.26 1.05 -0.90 5.26 0.05 -1.26 -2.62 116.97 118.29 3h5a h TYR 99 Ca 0.09 -0.07 0.06 0.00 0.05 0.00 0.00 58.73 58.86 3h5a h TYR 99 Cb 0.39 -0.32 -0.06 0.00 1.01 0.00 0.00 36.73 37.75 3h5a h TYR 99 CO -0.29 0.81 0.56 1.96 -1.05 0.00 0.00 178.16 180.15 3h5a h GLN 100 N 0.99 1.01 0.00 4.88 4.20 -0.82 -1.91 115.11 123.45 3h5a h GLN 100 Ca 0.23 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.88 3h5a h GLN 100 Cb 0.19 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.75 3h5a h GLN 100 CO -0.02 0.67 0.00 -1.13 -0.67 0.00 0.00 178.83 177.67 3h5a n SER 101 N -4.58 0.33 -0.81 1.46 3.41 -0.33 -0.94 113.62 112.14 3h5a n SER 101 Ca 0.13 0.57 0.10 0.00 -0.26 0.00 0.00 58.87 59.41 3h5a n SER 101 Cb 0.17 -0.64 0.09 0.00 -0.26 0.00 0.00 64.21 63.57 3h5a n SER 101 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3h5a n TYR 102 N -1.85 0.03 -0.31 7.33 4.02 -0.77 -4.81 117.16 120.80 3h5a n TYR 102 Ca 0.04 -0.02 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 3h5a n TYR 102 Cb 0.24 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.56 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 1.14 0.81 3.70 2.72 0.00 -0.12 -4.92 105.19 108.52 3h5a n GLY 103 Ca 0.12 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 3h5a n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h5a s ALA 104 N -2.00 3.33 -0.27 4.61 0.00 -0.88 -5.02 121.76 121.53 3h5a s ALA 104 Ca 0.00 -1.08 -0.29 0.00 0.00 0.00 0.00 51.96 50.59 3h5a s ALA 104 Cb 0.00 -1.24 -0.02 0.00 0.00 0.00 0.00 23.12 21.86 3h5a s ALA 104 CO 0.00 0.70 1.65 1.21 0.00 0.00 0.00 175.76 179.32 3h5a s ASN 105 N -2.25 6.24 0.55 0.00 3.84 -1.26 -3.85 114.94 118.21 3h5a s ASN 105 Ca 0.26 1.45 0.22 0.00 0.21 0.00 0.00 52.86 55.00 3h5a s ASN 105 Cb -0.12 -2.53 1.50 0.00 -0.55 0.00 0.00 41.25 39.56 3h5a s ASN 105 CO 0.18 -1.40 2.18 1.55 -2.79 0.00 0.00 177.10 176.82 3h5a h PRO 106 N 11.33 0.00 -0.15 0.43 0.13 -1.87 -2.18 132.00 139.68 3h5a h PRO 106 Ca -0.33 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.72 3h5a h PRO 106 Cb 1.15 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 3h5a h PRO 106 CO 1.02 0.00 -0.23 0.28 -0.23 0.00 0.00 178.00 178.84 3h5a h VAL 107 N 0.00 1.36 -0.02 1.56 2.07 -1.90 -1.73 116.25 117.58 3h5a h VAL 107 Ca 0.01 -1.45 0.03 0.00 0.82 0.00 0.00 66.70 66.12 3h5a h VAL 107 Cb 0.06 1.93 -0.06 0.00 -1.52 0.00 0.00 31.29 31.70 3h5a h VAL 107 CO -0.00 0.43 -0.41 -0.07 0.02 0.00 0.00 177.57 177.54 3h5a h LEU 108 N 0.05 -1.24 -0.43 2.57 3.38 -1.82 -2.03 115.31 115.79 3h5a h LEU 108 Ca 0.02 0.15 0.08 0.00 0.09 0.00 0.00 57.88 58.22 3h5a h LEU 108 Cb 0.80 0.49 -0.09 0.00 0.09 0.00 0.00 40.66 41.94 3h5a h LEU 108 CO 0.05 -0.45 -0.34 0.58 0.09 0.00 0.00 178.44 178.38 3h5a h VAL 109 N -0.55 0.21 -0.93 1.22 2.07 -1.37 -0.84 116.25 116.06 3h5a h VAL 109 Ca 0.05 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.62 3h5a h VAL 109 Cb 0.64 0.21 -0.06 0.00 -1.52 0.00 0.00 31.29 30.56 3h5a h VAL 109 CO -0.32 0.00 0.61 1.56 0.02 0.00 0.00 177.57 179.44 3h5a h GLN 110 N -0.25 1.10 -0.15 1.57 1.08 -1.20 -2.44 115.11 114.82 3h5a h GLN 110 Ca 0.18 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 3h5a h GLN 110 Cb 0.54 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 3h5a h GLN 110 CO -0.56 0.73 0.10 -0.44 -0.95 0.00 0.00 178.83 177.71 3h5a h ASP 111 N 1.14 0.18 -0.64 1.46 5.19 -0.42 -0.05 116.42 123.27 3h5a h ASP 111 Ca 0.38 -0.00 0.08 0.00 -0.62 0.00 0.00 57.03 56.87 3h5a h ASP 111 Cb 0.07 -0.04 -0.07 0.00 0.18 0.00 0.00 39.33 39.47 3h5a h ASP 111 CO -0.13 0.13 0.30 0.11 -3.12 0.00 0.00 179.24 176.53 3h5a h LYS 112 N 0.21 0.51 -0.54 3.56 1.57 -1.01 -0.16 116.57 120.72 3h5a h LYS 112 Ca 0.06 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3h5a h LYS 112 Cb -0.02 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 3h5a h LYS 112 CO -0.01 0.34 0.36 -0.07 -0.57 0.00 0.00 179.45 179.49 3h5a h LEU 113 N 0.53 0.62 -1.75 2.94 3.38 -1.01 -2.26 115.31 117.75 3h5a h LEU 113 Ca 0.31 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.24 3h5a h LEU 113 Cb 0.32 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3h5a h LEU 113 CO -0.26 0.44 -0.14 0.50 0.09 0.00 0.00 178.44 179.07 3h5a h LYS 114 N 0.73 0.00 -0.61 1.13 3.64 0.00 0.34 116.57 121.79 3h5a h LYS 114 Ca 0.20 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3h5a h LYS 114 Cb -0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3h5a h LYS 114 CO -0.05 0.14 0.00 0.09 -2.27 0.00 0.00 179.45 177.37 3h5a n ASN 115 N -4.26 3.57 -4.91 4.20 3.02 -0.17 -3.62 115.26 113.08 3h5a n ASN 115 Ca -0.02 -2.18 -0.31 0.00 -0.03 0.00 0.00 54.58 52.04 3h5a n ASN 115 Cb 0.21 -0.46 -0.04 0.00 -0.61 0.00 0.00 39.78 38.89 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 -1.49 3.98 -0.11 5.41 0.00 -0.92 -4.98 121.76 123.65 3h5a s ALA 116 Ca 0.41 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.52 3h5a s ALA 116 Cb 0.24 -1.80 -0.01 0.00 0.00 0.00 0.00 23.12 21.54 3h5a s ALA 116 CO 0.24 0.80 -0.16 0.21 0.00 0.00 0.00 175.76 176.84 3h5a s LYS 117 N -2.57 3.18 -0.04 0.00 2.20 -1.26 -1.21 119.74 120.04 3h5a s LYS 117 Ca 0.35 -0.74 0.00 0.00 -0.36 0.00 0.00 55.97 55.22 3h5a s LYS 117 Cb -0.13 -2.51 0.02 0.00 -1.51 0.00 0.00 37.83 33.71 3h5a s LYS 117 CO 0.28 0.26 -0.02 0.08 -0.36 0.00 0.00 175.35 175.59 3h5a s VAL 118 N 0.21 0.34 -0.19 4.02 1.01 -0.86 -1.20 120.40 123.73 3h5a s VAL 118 Ca -0.10 0.01 -0.13 0.00 0.00 0.00 0.00 61.98 61.75 3h5a s VAL 118 Cb -0.16 -0.41 -0.05 0.00 0.00 0.00 0.00 36.38 35.76 3h5a s VAL 118 CO 0.06 0.19 0.26 -0.69 0.00 0.00 0.00 175.10 174.92 3h5a s VAL 119 N 1.07 5.31 -0.55 2.92 1.01 -0.94 -0.85 120.40 128.38 3h5a s VAL 119 Ca -0.09 0.46 -0.17 0.00 0.00 0.00 0.00 61.98 62.18 3h5a s VAL 119 Cb -0.14 -3.60 0.11 0.00 0.00 0.00 0.00 36.38 32.75 3h5a s VAL 119 CO -0.01 0.36 0.57 -0.63 0.00 0.00 0.00 175.10 175.39 3h5a s ILE 120 N 0.70 5.04 -1.07 2.22 -1.09 0.11 0.07 121.20 127.18 3h5a s ILE 120 Ca 0.14 -1.18 -0.19 0.00 -2.23 0.00 0.00 60.65 57.20 3h5a s ILE 120 Cb -0.13 -4.37 0.11 0.00 -1.58 0.00 0.00 42.46 36.49 3h5a s ILE 120 CO 0.04 -0.92 1.36 -0.22 -1.23 0.00 0.00 174.94 173.97 3h5a s LEU 121 N 2.09 4.49 0.00 2.97 0.20 0.52 -1.82 118.68 127.13 3h5a s LEU 121 Ca 0.07 -2.16 0.00 0.00 0.69 0.00 0.00 54.13 52.74 3h5a s LEU 121 Cb -0.26 -2.47 0.00 0.00 -0.43 0.00 0.00 46.19 43.03 3h5a s LEU 121 CO 0.05 -1.12 0.00 0.61 -0.29 0.00 0.00 176.35 175.60 3h5a n GLY 122 N 5.54 2.25 1.13 7.98 0.00 -0.40 -3.28 105.19 118.40 3h5a n GLY 122 Ca 0.33 -1.32 -0.02 0.00 0.00 0.00 0.00 46.02 45.01 3h5a n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h5a n GLY 124 N -0.82 -2.74 0.32 0.00 0.00 -1.26 -4.23 105.19 96.46 3h5a n GLY 124 Ca 0.23 -1.37 0.07 0.00 0.00 0.00 0.00 46.02 44.94 3h5a n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h5a n GLY 125 N 1.75 -1.45 0.06 -0.02 0.00 -1.26 -1.44 105.19 102.84 3h5a n GLY 125 Ca 0.00 0.94 -0.13 0.00 0.00 0.00 0.00 46.02 46.83 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 1.47 -0.69 -0.61 2.04 -1.88 -2.16 117.51 115.68 3h5a h ILE 126 Ca 0.44 -1.45 -0.05 0.00 1.00 0.00 0.00 64.86 64.80 3h5a h ILE 126 Cb 0.72 2.45 -0.03 0.00 -0.74 0.00 0.00 36.82 39.22 3h5a h ILE 126 CO -0.90 0.37 0.23 1.23 0.00 0.00 0.00 178.15 179.09 3h5a h GLY 127 N -0.63 1.15 -0.66 5.37 0.00 -1.68 0.32 103.07 106.94 3h5a h GLY 127 Ca -0.00 -0.67 0.07 0.00 0.00 0.00 0.00 47.33 46.73 3h5a h GLY 127 CO 0.00 0.62 -0.54 -0.57 0.00 0.00 0.00 176.54 176.06 3h5a h ASN 128 N 1.01 -1.90 0.00 0.19 -0.73 -1.28 -1.40 115.58 111.48 3h5a h ASN 128 Ca 0.23 0.27 -0.10 0.00 1.87 0.00 0.00 56.30 58.57 3h5a h ASN 128 Cb 0.28 0.81 -0.01 0.00 0.27 0.00 0.00 38.32 39.66 3h5a h ASN 128 CO -0.01 -0.30 -0.28 -0.74 -0.37 0.00 0.00 177.43 175.73 3h5a h HIS 129 N -0.19 0.48 -0.53 0.67 2.76 -0.86 -2.87 115.15 114.62 3h5a h HIS 129 Ca 0.11 -0.11 -0.11 0.00 -2.20 0.00 0.00 60.37 58.06 3h5a h HIS 129 Cb 0.47 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.30 3h5a h HIS 129 CO -0.87 0.67 -0.12 0.28 -1.30 0.00 0.00 177.93 176.59 3h5a h VAL 130 N 0.38 1.27 -0.33 5.26 2.07 -0.60 -2.86 116.25 121.44 3h5a h VAL 130 Ca 0.05 -1.28 -0.09 0.00 0.82 0.00 0.00 66.70 66.21 3h5a h VAL 130 Cb 0.69 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 3h5a h VAL 130 CO 0.05 0.45 -0.17 0.77 0.02 0.00 0.00 177.57 178.69 3h5a h SER 131 N 0.88 0.58 0.42 0.57 4.64 -1.06 -0.05 113.55 119.54 3h5a h SER 131 Ca 0.13 -0.17 -0.02 0.00 -0.47 0.00 0.00 61.79 61.26 3h5a h SER 131 Cb 0.69 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3h5a h SER 131 CO 0.05 0.76 -0.20 0.58 -0.87 0.00 0.00 176.83 177.15 3h5a h VAL 132 N 0.53 0.58 -0.77 0.95 2.07 -1.45 0.38 116.25 118.55 3h5a h VAL 132 Ca 0.09 -0.21 0.12 0.00 0.82 0.00 0.00 66.70 67.52 3h5a h VAL 132 Cb 0.59 0.69 -0.08 0.00 -1.52 0.00 0.00 31.29 30.96 3h5a h VAL 132 CO 0.04 0.04 0.37 0.40 0.02 0.00 0.00 177.57 178.44 3h5a h ILE 133 N -0.69 0.78 -0.42 4.57 2.04 -1.25 0.12 117.51 122.66 3h5a h ILE 133 Ca -0.06 -0.20 -0.08 0.00 1.00 0.00 0.00 64.86 65.52 3h5a h ILE 133 Cb 0.50 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 3h5a h ILE 133 CO 0.09 0.11 -0.04 -0.07 0.00 0.00 0.00 178.15 178.24 3h5a h LEU 134 N 0.59 0.76 0.17 1.44 3.38 -0.86 -1.36 115.31 119.44 3h5a h LEU 134 Ca 0.40 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3h5a h LEU 134 Cb 0.50 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3h5a h LEU 134 CO -0.32 0.91 -0.08 0.00 0.09 0.00 0.00 178.44 179.03 3h5a h ALA 135 N 0.88 -0.23 -0.06 1.53 0.00 -0.31 -1.52 119.26 119.55 3h5a h ALA 135 Ca 0.11 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3h5a h ALA 135 Cb 0.54 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3h5a h ALA 135 CO 0.03 -0.57 0.11 0.00 0.00 0.00 0.00 179.25 178.82 3h5a h THR 136 N -0.34 0.26 -0.02 0.00 1.03 -0.69 -0.87 112.91 112.29 3h5a h THR 136 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.38 3h5a h THR 136 Cb 0.26 0.90 0.00 0.00 -1.07 0.00 0.00 68.15 68.24 3h5a h THR 136 CO 0.04 0.00 -0.43 -1.20 -0.01 0.00 0.00 175.52 173.92 3h5a n SER 137 N -3.45 2.06 0.00 0.00 7.64 -0.52 -4.98 113.62 114.37 3h5a n SER 137 Ca -0.01 -1.52 0.00 0.00 1.01 0.00 0.00 58.87 58.34 3h5a n SER 137 Cb 0.20 0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 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 1.41 1.34 3.69 0.23 0.00 -0.33 -5.01 105.19 106.53 3h5a n GLY 138 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3h5a n GLY 138 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h5a s ILE 139 N -2.00 2.63 0.04 -0.61 -1.09 -0.61 -2.97 121.20 116.58 3h5a s ILE 139 Ca 0.00 0.14 -0.25 0.00 -2.23 0.00 0.00 60.65 58.32 3h5a s ILE 139 Cb 0.00 -3.09 -0.17 0.00 -1.58 0.00 0.00 42.46 37.62 3h5a s ILE 139 CO 0.00 0.00 1.53 1.23 -1.23 0.00 0.00 174.94 176.47 3h5a h GLY 140 N 8.54 -0.08 -5.12 6.18 0.00 -1.01 -3.44 103.07 108.14 3h5a h GLY 140 Ca -0.45 0.03 -0.53 0.00 0.00 0.00 0.00 47.33 46.38 3h5a h GLY 140 CO 0.94 -0.03 -0.83 1.85 0.00 0.00 0.00 176.54 178.48 3h5a s GLU 141 N -5.39 1.42 -0.05 4.80 2.12 -0.35 -1.14 118.70 120.11 3h5a s GLU 141 Ca -0.14 -0.56 0.01 0.00 0.36 0.00 0.00 54.97 54.64 3h5a s GLU 141 Cb 0.04 -1.32 0.02 0.00 0.26 0.00 0.00 34.13 33.13 3h5a s GLU 141 CO 0.65 0.29 -0.06 0.42 -0.54 0.00 0.00 175.26 176.03 3h5a s ILE 142 N -0.19 0.67 -0.30 -3.70 1.01 -0.53 -2.03 121.20 116.12 3h5a s ILE 142 Ca 0.02 -0.19 -0.08 0.00 0.00 0.00 0.00 60.65 60.41 3h5a s ILE 142 Cb -0.08 -0.68 0.01 0.00 0.01 0.00 0.00 42.46 41.72 3h5a s ILE 142 CO 0.00 0.26 0.10 -0.63 0.00 0.00 0.00 174.94 174.68 3h5a s ILE 143 N 0.97 4.14 -0.33 2.92 1.01 -0.03 -1.65 121.20 128.23 3h5a s ILE 143 Ca -0.10 -0.66 -0.18 0.00 0.00 0.00 0.00 60.65 59.72 3h5a s ILE 143 Cb -0.14 -3.15 -0.01 0.00 0.01 0.00 0.00 42.46 39.17 3h5a s ILE 143 CO 0.00 0.05 0.50 -0.76 0.00 0.00 0.00 174.94 174.73 3h5a s LEU 144 N 1.52 4.28 -0.26 2.97 1.43 -0.20 -0.71 118.68 127.71 3h5a s LEU 144 Ca 0.03 0.08 -0.02 0.00 -1.03 0.00 0.00 54.13 53.19 3h5a s LEU 144 Cb -0.17 -2.58 0.03 0.00 0.03 0.00 0.00 46.19 43.49 3h5a s LEU 144 CO 0.04 -0.42 -0.04 -0.63 0.23 0.00 0.00 176.35 175.52 3h5a s ILE 145 N 2.35 3.01 -0.11 -0.59 1.01 -0.76 -1.56 121.20 124.55 3h5a s ILE 145 Ca 0.19 -1.01 -0.32 0.00 0.00 0.00 0.00 60.65 59.51 3h5a s ILE 145 Cb -0.16 -2.54 0.12 0.00 0.01 0.00 0.00 42.46 39.89 3h5a s ILE 145 CO 0.12 0.17 1.08 -0.62 0.00 0.00 0.00 174.94 175.69 3h5a s ASP 146 N 1.34 -0.23 0.00 3.58 -1.08 -0.98 -1.28 116.67 118.03 3h5a s ASP 146 Ca 0.00 -0.01 0.00 0.00 -0.52 0.00 0.00 52.55 52.02 3h5a s ASP 146 Cb -0.17 0.25 0.00 0.00 -1.46 0.00 0.00 42.92 41.54 3h5a s ASP 146 CO -0.03 -0.40 0.39 -3.20 0.52 0.00 0.00 175.17 172.45 3h5a n ASN 147 N -0.17 0.39 -4.89 -0.34 5.15 -1.24 -2.80 115.26 111.37 3h5a n ASN 147 Ca -0.04 -1.13 -0.29 0.00 -0.60 0.00 0.00 54.58 52.52 3h5a n ASN 147 Cb 0.60 0.00 0.03 0.00 -0.53 0.00 0.00 39.78 39.87 3h5a n ASN 147 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 3h5a s ASP 148 N -0.13 5.81 0.18 1.20 1.01 -1.26 -4.94 116.67 118.54 3h5a s ASP 148 Ca 0.00 1.11 0.06 0.00 0.71 0.00 0.00 52.55 54.43 3h5a s ASP 148 Cb 0.00 -2.09 -0.04 0.00 1.01 0.00 0.00 42.92 41.81 3h5a s ASP 148 CO 0.00 -1.05 0.11 -1.10 0.21 0.00 0.00 175.17 173.34 3h5a s GLN 149 N -5.16 2.78 -0.18 8.23 1.11 -1.26 -2.39 119.66 122.78 3h5a s GLN 149 Ca 0.55 -0.97 -0.29 0.00 0.01 0.00 0.00 55.36 54.66 3h5a s GLN 149 Cb -0.11 -2.55 -0.04 0.00 -1.01 0.00 0.00 33.01 29.30 3h5a s GLN 149 CO 0.50 0.46 1.78 0.42 0.01 0.00 0.00 175.29 178.46 3h5a s ILE 150 N -1.82 3.47 0.64 1.08 1.01 0.40 -4.80 121.20 121.18 3h5a s ILE 150 Ca 0.30 0.52 -0.00 0.00 0.00 0.00 0.00 60.65 61.48 3h5a s ILE 150 Cb -0.09 -3.48 0.08 0.00 0.01 0.00 0.00 42.46 38.98 3h5a s ILE 150 CO 0.22 -0.20 0.90 -1.61 0.00 0.00 0.00 174.94 174.25 3h5a s GLU 151 N 4.95 2.09 0.07 2.79 2.02 -1.26 -0.60 118.70 128.76 3h5a s GLU 151 Ca 0.79 -0.92 -0.24 0.00 0.02 0.00 0.00 54.97 54.63 3h5a s GLU 151 Cb -0.29 -2.39 -0.16 0.00 0.10 0.00 0.00 34.13 31.39 3h5a s GLU 151 CO 0.32 -1.11 1.67 -0.97 0.02 0.00 0.00 175.26 175.19 3h5a h ASN 152 N -0.27 -0.04 0.66 -0.19 -0.00 -1.99 -3.14 115.58 110.61 3h5a h ASN 152 Ca -0.39 -0.06 0.00 0.00 -0.00 0.00 0.00 56.30 55.85 3h5a h ASN 152 Cb 1.28 0.01 0.00 0.00 -0.00 0.00 0.00 38.32 39.61 3h5a h ASN 152 CO 0.47 0.03 0.00 0.35 -0.00 0.00 0.00 177.43 178.28 3h5a n THR 153 N -5.08 0.79 0.33 -3.57 -2.24 -1.26 -3.15 114.28 100.09 3h5a n THR 153 Ca -0.08 0.18 0.15 0.00 -2.27 0.00 0.00 64.05 62.04 3h5a n THR 153 Cb 0.07 -0.93 0.63 0.00 -2.10 0.00 0.00 70.33 68.00 3h5a n THR 153 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3h5a h ASN 154 N 0.00 0.00 1.02 3.42 -0.26 -1.95 -3.21 115.58 114.59 3h5a h ASN 154 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3h5a h ASN 154 Cb 0.33 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.59 3h5a h ASN 154 CO 0.00 0.00 0.00 0.18 -1.06 0.00 0.00 177.43 176.55 3h5a n LEU 155 N -2.69 0.50 0.07 1.61 4.77 -1.19 -1.35 117.00 118.72 3h5a n LEU 155 Ca 0.01 0.58 -0.10 0.00 -0.03 0.00 0.00 56.01 56.47 3h5a n LEU 155 Cb 0.25 -0.46 -0.13 0.00 -2.33 0.00 0.00 43.42 40.76 3h5a n LEU 155 CO 0.23 -0.27 0.04 0.74 -1.33 0.00 0.00 177.39 176.80 3h5a h THR 156 N 0.00 1.60 0.05 -5.08 2.02 -1.83 -3.39 112.91 106.28 3h5a h THR 156 Ca 0.00 -3.28 -0.38 0.00 0.77 0.00 0.00 66.41 63.52 3h5a h THR 156 Cb 0.51 2.86 -0.05 0.00 -1.74 0.00 0.00 68.15 69.73 3h5a h THR 156 CO 0.00 0.93 -2.29 0.54 0.37 0.00 0.00 175.52 175.07 3h5a n ARG 157 N -3.39 0.69 -3.48 6.66 1.74 -1.01 -4.76 116.66 113.11 3h5a n ARG 157 Ca -0.04 0.20 -0.42 0.00 -0.77 0.00 0.00 57.85 56.81 3h5a n ARG 157 Cb 0.97 -1.59 -0.04 0.00 -1.02 0.00 0.00 32.46 30.77 3h5a n ARG 157 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3h5a s GLN 158 N -2.53 3.38 0.00 5.56 -0.21 -0.46 -4.75 119.66 120.65 3h5a s GLN 158 Ca -0.30 -2.72 0.00 0.00 0.02 0.00 0.00 55.36 52.36 3h5a s GLN 158 Cb 0.08 -4.20 0.00 0.00 1.00 0.00 0.00 33.01 29.89 3h5a s GLN 158 CO 0.67 -1.25 0.41 0.28 -2.12 0.00 0.00 175.29 173.28 3h5a n VAL 159 N 3.40 0.33 0.82 1.09 0.31 -1.26 -2.44 118.33 120.59 3h5a n VAL 159 Ca 0.15 0.23 0.09 0.00 -0.01 0.00 0.00 64.34 64.81 3h5a n VAL 159 Cb 0.42 -1.23 0.04 0.00 -0.91 0.00 0.00 33.84 32.15 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 -0.91 2.21 -4.73 7.52 4.77 -1.26 -5.03 117.00 119.57 3h5a n LEU 160 Ca 0.00 -0.88 -0.35 0.00 -0.03 0.00 0.00 56.01 54.75 3h5a n LEU 160 Cb 0.15 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.16 3h5a n LEU 160 CO 0.00 0.40 -0.28 -0.36 -1.33 0.00 0.00 177.39 175.82 3h5a s PHE 161 N -1.89 3.25 0.45 -1.77 2.99 -1.02 -4.97 117.98 115.02 3h5a s PHE 161 Ca 0.19 0.24 0.03 0.00 0.00 0.00 0.00 56.93 57.40 3h5a s PHE 161 Cb 0.16 -1.80 0.01 0.00 0.00 0.00 0.00 43.02 41.39 3h5a s PHE 161 CO 0.36 0.53 0.63 -1.12 -0.00 0.00 0.00 175.22 175.62 3h5a s SER 162 N -1.10 5.68 0.54 1.36 0.01 -1.26 -4.98 113.70 113.96 3h5a s SER 162 Ca 0.16 -0.03 0.21 0.00 1.31 0.00 0.00 55.95 57.60 3h5a s SER 162 Cb -0.12 -1.13 1.45 0.00 0.21 0.00 0.00 66.02 66.44 3h5a s SER 162 CO 0.05 -0.77 2.16 -0.33 0.41 0.00 0.00 173.24 174.77 3h5a h GLU 163 N 0.47 0.00 0.00 12.44 5.08 -2.00 -2.14 114.58 128.43 3h5a h GLU 163 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 3h5a h GLU 163 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3h5a h GLU 163 CO 0.53 0.00 0.00 -3.47 -1.00 0.00 0.00 179.01 175.07 3h5a n ASP 164 N -4.30 0.62 -0.18 1.42 2.03 -1.26 -3.43 116.55 111.45 3h5a n ASP 164 Ca -0.02 0.73 0.09 0.00 0.52 0.00 0.00 54.79 56.11 3h5a n ASP 164 Cb 0.14 -0.84 -0.06 0.00 -0.72 0.00 0.00 41.12 39.65 3h5a n ASP 164 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3h5a n ASP 165 N -2.28 1.25 -4.63 1.67 8.00 -0.80 -4.94 116.55 114.81 3h5a n ASP 165 Ca -0.00 -1.13 -0.46 0.00 0.71 0.00 0.00 54.79 53.92 3h5a n ASP 165 Cb 0.11 0.77 -0.03 0.00 -0.02 0.00 0.00 41.12 41.95 3h5a n ASP 165 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3h5a n VAL 166 N -0.82 1.15 0.00 2.53 0.31 -1.22 -1.91 118.33 118.36 3h5a n VAL 166 Ca 0.05 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 3h5a n VAL 166 Cb 0.32 -1.22 0.00 0.00 -0.91 0.00 0.00 33.84 32.03 3h5a n VAL 166 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3h5a n GLY 167 N 1.88 2.69 3.79 2.92 0.00 0.23 -4.96 105.19 111.74 3h5a n GLY 167 Ca 0.12 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 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 2.38 0.30 1.61 1.02 -0.80 -4.56 119.74 119.68 3h5a s LYS 168 Ca 0.00 0.89 -0.29 0.00 0.02 0.00 0.00 55.97 56.58 3h5a s LYS 168 Cb 0.00 -1.93 -0.10 0.00 -0.52 0.00 0.00 37.83 35.28 3h5a s LYS 168 CO 0.00 -1.48 1.26 -0.80 -0.92 0.00 0.00 175.35 173.41 3h5a s ASN 169 N -3.71 6.90 0.15 2.83 0.01 -1.26 -0.45 114.94 119.40 3h5a s ASN 169 Ca 0.60 2.56 -0.21 0.00 -0.71 0.00 0.00 52.86 55.10 3h5a s ASN 169 Cb -0.15 -2.64 0.03 0.00 0.41 0.00 0.00 41.25 38.90 3h5a s ASN 169 CO 0.55 -0.45 1.65 0.11 -1.51 0.00 0.00 177.10 177.45 3h5a h LYS 170 N 3.75 -0.18 -0.36 -0.60 1.57 -1.78 -2.67 116.57 116.30 3h5a h LYS 170 Ca -0.48 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.28 3h5a h LYS 170 Cb 1.22 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.55 3h5a h LYS 170 CO 0.67 -0.12 0.08 1.79 -0.57 0.00 0.00 179.45 181.31 3h5a h THR 171 N -0.18 1.17 0.13 -0.16 1.35 -1.88 -1.97 112.91 111.37 3h5a h THR 171 Ca 0.14 -0.61 0.02 0.00 -0.55 0.00 0.00 66.41 65.40 3h5a h THR 171 Cb 0.40 0.81 -0.03 0.00 -1.73 0.00 0.00 68.15 67.59 3h5a h THR 171 CO -0.36 0.22 -0.27 -0.08 -0.25 0.00 0.00 175.52 174.79 3h5a h GLU 172 N 0.52 -0.47 -0.36 4.72 4.81 -1.88 0.41 114.58 122.35 3h5a h GLU 172 Ca 0.12 0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.32 3h5a h GLU 172 Cb 0.21 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 3h5a h GLU 172 CO -0.00 -0.31 -0.02 0.28 -0.73 0.00 0.00 179.01 178.23 3h5a h VAL 173 N -0.48 1.26 -0.82 0.32 2.07 -1.31 -1.69 116.25 115.61 3h5a h VAL 173 Ca 0.03 -1.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.53 3h5a h VAL 173 Cb 0.50 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 3h5a h VAL 173 CO -0.15 0.34 0.50 0.40 0.02 0.00 0.00 177.57 178.68 3h5a h ILE 174 N 0.45 1.23 -0.39 4.57 2.04 -1.31 -0.09 117.51 124.00 3h5a h ILE 174 Ca 0.10 -0.49 0.01 0.00 1.00 0.00 0.00 64.86 65.48 3h5a h ILE 174 Cb 0.49 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 3h5a h ILE 174 CO 0.02 0.24 0.25 0.50 0.00 0.00 0.00 178.15 179.15 3h5a h LYS 175 N 1.12 0.48 -0.36 2.37 1.63 -0.76 0.71 116.57 121.76 3h5a h LYS 175 Ca 0.30 -0.03 -0.13 0.00 -0.85 0.00 0.00 60.65 59.94 3h5a h LYS 175 Cb -0.05 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.46 3h5a h LYS 175 CO -0.06 0.32 -0.28 0.07 -3.45 0.00 0.00 179.45 176.05 3h5a h ARG 176 N 0.50 0.83 0.00 1.90 0.11 -0.91 -2.54 114.38 114.27 3h5a h ARG 176 Ca 0.15 -0.41 -0.06 0.00 0.10 0.00 0.00 59.98 59.76 3h5a h ARG 176 Cb -0.02 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.05 3h5a h ARG 176 CO -0.05 1.05 -0.28 0.93 0.10 0.00 0.00 179.97 181.71 3h5a h GLU 177 N 0.63 0.00 0.00 0.08 4.39 -0.75 -1.01 114.58 117.92 3h5a h GLU 177 Ca 0.07 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.65 3h5a h GLU 177 Cb 0.86 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.49 3h5a h GLU 177 CO 0.07 0.28 -0.58 -0.07 -1.16 0.00 0.00 179.01 177.56 3h5a h LEU 178 N 0.00 0.00 -0.11 1.33 3.38 -0.79 -3.00 115.31 116.12 3h5a h LEU 178 Ca -0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 3h5a h LEU 178 Cb 0.52 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.27 3h5a h LEU 178 CO 0.04 0.58 -0.99 -0.07 0.09 0.00 0.00 178.44 178.08 3h5a h LEU 179 N 0.00 0.61 -1.13 1.67 3.38 -0.85 -1.78 115.31 117.21 3h5a h LEU 179 Ca -0.01 -0.50 0.10 0.00 0.09 0.00 0.00 57.88 57.56 3h5a h LEU 179 Cb 1.30 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.79 3h5a h LEU 179 CO 0.07 1.31 0.60 0.11 0.09 0.00 0.00 178.44 180.62 3h5a h LYS 180 N 0.26 0.92 0.00 1.13 1.57 -1.26 -3.04 116.57 116.14 3h5a h LYS 180 Ca -0.10 -0.06 -0.19 0.00 -1.87 0.00 0.00 60.65 58.44 3h5a h LYS 180 Cb 1.64 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 33.71 3h5a h LYS 180 CO 0.18 0.61 -1.01 0.00 -0.57 0.00 0.00 179.45 178.65 3h5a h ARG 181 N 0.94 0.00 -1.00 3.15 3.08 -1.36 -3.43 114.38 115.77 3h5a h ARG 181 Ca 0.44 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.54 3h5a h ARG 181 Cb 0.41 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 30.25 3h5a h ARG 181 CO -0.20 0.69 -0.35 1.21 -1.07 0.00 0.00 179.97 180.26 3h5a s ASN 182 N -6.43 -1.56 0.00 7.04 3.84 -0.69 -4.93 114.94 112.21 3h5a s ASN 182 Ca 0.01 0.39 0.28 0.00 0.21 0.00 0.00 52.86 53.75 3h5a s ASN 182 Cb 0.09 2.08 1.17 0.00 -0.55 0.00 0.00 41.25 44.03 3h5a s ASN 182 CO 0.80 -0.29 1.81 -1.54 -2.79 0.00 0.00 177.10 175.09 3h5a n SER 183 N 5.42 0.95 -0.20 -4.21 3.41 -1.16 -3.31 113.62 114.53 3h5a n SER 183 Ca 0.03 -1.10 0.15 0.00 -0.26 0.00 0.00 58.87 57.69 3h5a n SER 183 Cb 0.53 0.01 0.77 0.00 -0.26 0.00 0.00 64.21 65.26 3h5a n SER 183 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3h5a n GLU 184 N -0.42 1.26 -4.21 4.33 4.71 -1.26 -4.88 120.64 120.17 3h5a n GLU 184 Ca 0.17 -0.40 -0.28 0.00 -0.01 0.00 0.00 57.16 56.65 3h5a n GLU 184 Cb 0.30 -1.49 -0.08 0.00 -1.01 0.00 0.00 31.44 29.15 3h5a n GLU 184 CO 0.00 0.00 0.00 0.96 0.09 0.00 0.00 177.13 178.18 3h5a s ILE 185 N -2.02 3.64 -0.00 -3.67 -4.36 -1.21 -5.01 121.20 108.57 3h5a s ILE 185 Ca 0.43 -1.35 0.02 0.00 -0.26 0.00 0.00 60.65 59.49 3h5a s ILE 185 Cb 0.22 -2.79 -0.04 0.00 1.25 0.00 0.00 42.46 41.10 3h5a s ILE 185 CO 0.36 -0.03 -0.02 -0.94 0.24 0.00 0.00 174.94 174.55 3h5a s SER 186 N -2.68 4.99 -0.04 4.36 1.04 -0.29 -4.98 113.70 116.09 3h5a s SER 186 Ca 0.26 -0.04 -0.02 0.00 0.48 0.00 0.00 55.95 56.63 3h5a s SER 186 Cb -0.10 -1.27 0.03 0.00 0.10 0.00 0.00 66.02 64.78 3h5a s SER 186 CO 0.17 0.29 0.09 -0.69 0.98 0.00 0.00 173.24 174.07 3h5a s VAL 187 N -1.05 -0.05 0.34 5.02 1.01 -1.26 -1.45 120.40 122.96 3h5a s VAL 187 Ca 0.19 0.18 0.09 0.00 0.00 0.00 0.00 61.98 62.44 3h5a s VAL 187 Cb -0.11 -0.16 -0.06 0.00 0.00 0.00 0.00 36.38 36.05 3h5a s VAL 187 CO 0.09 0.07 -0.02 -0.44 0.00 0.00 0.00 175.10 174.80 3h5a s SER 188 N 1.03 4.04 0.12 3.32 0.01 -0.66 -4.98 113.70 116.58 3h5a s SER 188 Ca -0.08 -1.06 0.09 0.00 1.31 0.00 0.00 55.95 56.21 3h5a s SER 188 Cb -0.11 -0.47 -0.04 0.00 0.21 0.00 0.00 66.02 65.61 3h5a s SER 188 CO -0.04 -0.23 -0.22 -1.61 0.41 0.00 0.00 173.24 171.55 3h5a s GLU 189 N -3.68 1.20 -0.07 12.44 2.02 -1.26 -1.03 118.70 128.32 3h5a s GLU 189 Ca 0.34 -1.23 -0.02 0.00 0.02 0.00 0.00 54.97 54.07 3h5a s GLU 189 Cb 0.01 -1.50 0.03 0.00 0.10 0.00 0.00 34.13 32.78 3h5a s GLU 189 CO 0.18 0.34 0.06 0.42 0.02 0.00 0.00 175.26 176.28 3h5a s ILE 190 N -1.24 -0.03 -1.07 -1.63 1.01 -0.60 -4.93 121.20 112.71 3h5a s ILE 190 Ca 0.09 0.28 -0.21 0.00 0.00 0.00 0.00 60.65 60.82 3h5a s ILE 190 Cb -0.10 -0.28 0.08 0.00 0.01 0.00 0.00 42.46 42.17 3h5a s ILE 190 CO 0.05 0.12 1.45 0.00 0.00 0.00 0.00 174.94 176.56 3h5a s ALA 191 N 2.13 3.03 -0.24 9.38 0.00 -1.26 -2.31 121.76 132.50 3h5a s ALA 191 Ca 0.04 -2.56 -0.17 0.00 0.00 0.00 0.00 51.96 49.28 3h5a s ALA 191 Cb -0.13 -4.45 0.07 0.00 0.00 0.00 0.00 23.12 18.61 3h5a s ALA 191 CO -0.04 -3.39 0.60 -1.17 0.00 0.00 0.00 175.76 171.76 3h5a s LEU 192 N 4.21 -0.52 -0.05 0.00 2.96 -1.12 -4.86 118.68 119.30 3h5a s LEU 192 Ca 0.45 1.28 0.04 0.00 -0.22 0.00 0.00 54.13 55.67 3h5a s LEU 192 Cb -0.00 2.07 -0.03 0.00 0.50 0.00 0.00 46.19 48.73 3h5a s LEU 192 CO -0.06 -0.22 -0.14 0.20 -1.32 0.00 0.00 176.35 174.82 3h5a s ASN 193 N 1.00 4.06 -0.66 3.68 0.01 -1.26 -3.11 114.94 118.66 3h5a s ASN 193 Ca -0.05 -0.19 -0.27 0.00 -0.71 0.00 0.00 52.86 51.64 3h5a s ASN 193 Cb -0.05 -0.86 0.00 0.00 0.41 0.00 0.00 41.25 40.75 3h5a s ASN 193 CO -0.09 0.34 1.57 -0.63 -1.51 0.00 0.00 177.10 176.78 3h5a s ILE 194 N -0.74 3.55 -0.18 0.60 -1.09 -1.26 -4.73 121.20 117.34 3h5a s ILE 194 Ca 0.12 0.33 0.05 0.00 -2.23 0.00 0.00 60.65 58.92 3h5a s ILE 194 Cb -0.11 -4.41 -0.22 0.00 -1.58 0.00 0.00 42.46 36.15 3h5a s ILE 194 CO 0.01 -1.35 0.12 0.59 -1.23 0.00 0.00 174.94 173.08 3h5a n ASN 195 N 11.02 1.38 -4.39 3.58 3.02 -1.26 -4.75 115.26 123.86 3h5a n ASN 195 Ca 0.12 0.06 -0.24 0.00 -0.03 0.00 0.00 54.58 54.50 3h5a n ASN 195 Cb 0.50 -0.13 -0.11 0.00 -0.61 0.00 0.00 39.78 39.43 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 -6.34 3.11 0.34 6.41 1.01 -1.26 -5.03 116.67 114.91 3h5a s ASP 196 Ca -0.21 -0.90 0.12 0.00 0.71 0.00 0.00 52.55 52.26 3h5a s ASP 196 Cb 0.08 -0.22 0.93 0.00 1.01 0.00 0.00 42.92 44.72 3h5a s ASP 196 CO 0.73 0.03 1.76 0.22 0.21 0.00 0.00 175.17 178.12 3h5a h TYR 197 N 3.03 0.89 0.00 4.23 3.20 -2.00 -1.84 116.97 124.49 3h5a h TYR 197 Ca -0.43 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.47 3h5a h TYR 197 Cb 1.22 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.22 3h5a h TYR 197 CO 0.71 0.11 0.00 1.79 -1.64 0.00 0.00 178.16 179.13 3h5a h THR 198 N 0.56 0.00 -0.01 1.81 1.35 -2.01 -2.40 112.91 112.20 3h5a h THR 198 Ca 0.60 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 66.11 3h5a h THR 198 Cb 1.22 1.22 -0.00 0.00 -1.73 0.00 0.00 68.15 68.86 3h5a h THR 198 CO -0.38 0.00 0.02 0.44 -0.25 0.00 0.00 175.52 175.35 3h5a h ASP 199 N 0.00 0.00 0.21 5.36 3.32 -1.72 -2.46 116.42 121.13 3h5a h ASP 199 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3h5a h ASP 199 Cb 0.43 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.98 3h5a h ASP 199 CO 0.00 0.00 -0.11 -0.07 -1.72 0.00 0.00 179.24 177.34 3h5a h LEU 200 N 0.00 0.00 -2.11 1.55 3.38 -1.62 -1.32 115.31 115.20 3h5a h LEU 200 Ca 0.01 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 3h5a h LEU 200 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3h5a h LEU 200 CO -0.00 0.11 0.22 0.45 0.09 0.00 0.00 178.44 179.31 3h5a h HIS 201 N 0.00 0.00 -0.00 1.13 3.86 -1.68 -1.39 115.15 117.08 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 0.25 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.72 3h5a h HIS 201 CO 0.00 0.00 -0.03 1.63 0.86 0.00 0.00 177.93 180.39 3h5a n LYS 202 N -4.14 0.55 -3.25 2.45 5.02 -0.50 -4.79 118.16 113.50 3h5a n LYS 202 Ca 0.03 -0.07 -0.38 0.00 -2.02 0.00 0.00 58.31 55.87 3h5a n LYS 202 Cb 0.37 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.83 3h5a n LYS 202 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3h5a s VAL 203 N -2.49 5.13 0.86 -0.18 1.01 -0.52 -5.06 120.40 119.15 3h5a s VAL 203 Ca 0.30 1.08 -0.11 0.00 0.00 0.00 0.00 61.98 63.25 3h5a s VAL 203 Cb 0.20 -3.87 0.11 0.00 0.00 0.00 0.00 36.38 32.82 3h5a s VAL 203 CO 0.46 0.33 1.09 -2.16 0.00 0.00 0.00 175.10 174.82 3h5a s PRO 204 N 0.55 1.53 0.42 2.72 0.04 -1.26 -5.02 135.00 133.98 3h5a s PRO 204 Ca 0.29 1.04 -0.25 0.00 0.04 0.00 0.00 61.00 62.12 3h5a s PRO 204 Cb -0.16 -1.82 -0.08 0.00 0.04 0.00 0.00 34.50 32.48 3h5a s PRO 204 CO 0.13 -2.11 1.19 -1.21 0.04 0.00 0.00 177.00 175.03 3h5a s GLU 205 N -4.87 3.96 0.30 4.56 2.02 -1.26 -5.01 118.70 118.40 3h5a s GLU 205 Ca 0.63 1.87 -0.11 0.00 0.02 0.00 0.00 54.97 57.37 3h5a s GLU 205 Cb -0.18 -2.62 0.01 0.00 0.10 0.00 0.00 34.13 31.44 3h5a s GLU 205 CO 0.57 -0.41 0.56 0.00 0.02 0.00 0.00 175.26 176.00 3h5a s ALA 206 N -1.43 -0.15 0.44 5.21 0.00 -1.26 -5.00 121.76 119.58 3h5a s ALA 206 Ca 0.59 -0.98 0.11 0.00 0.00 0.00 0.00 51.96 51.68 3h5a s ALA 206 Cb -0.31 1.00 0.97 0.00 0.00 0.00 0.00 23.12 24.78 3h5a s ALA 206 CO 0.39 -0.88 2.03 -0.44 0.00 0.00 0.00 175.76 176.86 3h5a h ASP 207 N 2.14 0.19 -4.47 0.00 3.32 -1.53 -3.45 116.42 112.62 3h5a h ASP 207 Ca -0.27 -0.02 0.03 0.00 0.02 0.00 0.00 57.03 56.79 3h5a h ASP 207 Cb 1.25 -0.05 -0.21 0.00 0.22 0.00 0.00 39.33 40.54 3h5a h ASP 207 CO 0.36 0.23 0.42 -0.51 -1.72 0.00 0.00 179.24 178.02 3h5a s ILE 208 N -5.01 0.00 -0.15 0.35 2.07 -1.25 -4.56 121.20 112.66 3h5a s ILE 208 Ca -0.06 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.13 3h5a s ILE 208 Cb 0.16 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.72 3h5a s ILE 208 CO 0.71 0.00 0.04 0.26 -1.91 0.00 0.00 174.94 174.03 3h5a s TRP 209 N -1.35 3.22 -0.32 3.50 0.52 -0.53 -2.22 118.94 121.75 3h5a s TRP 209 Ca -0.04 0.07 -0.16 0.00 0.02 0.00 0.00 56.10 55.99 3h5a s TRP 209 Cb -0.00 -1.98 -0.02 0.00 -1.15 0.00 0.00 33.47 30.32 3h5a s TRP 209 CO 0.03 0.24 0.39 0.08 0.02 0.00 0.00 176.95 177.72 3h5a s VAL 210 N -0.05 5.14 -0.38 4.03 1.01 0.11 -0.93 120.40 129.33 3h5a s VAL 210 Ca 0.05 0.24 -0.01 0.00 0.00 0.00 0.00 61.98 62.27 3h5a s VAL 210 Cb -0.12 -3.82 0.10 0.00 0.00 0.00 0.00 36.38 32.54 3h5a s VAL 210 CO 0.01 -0.05 0.15 -0.69 0.00 0.00 0.00 175.10 174.52 3h5a s VAL 211 N 2.11 2.96 -0.45 2.92 1.01 0.23 -0.35 120.40 128.83 3h5a s VAL 211 Ca 0.14 -2.12 0.05 0.00 0.00 0.00 0.00 61.98 60.05 3h5a s VAL 211 Cb -0.16 -3.06 0.18 0.00 0.00 0.00 0.00 36.38 33.34 3h5a s VAL 211 CO 0.12 -0.64 0.52 -0.94 0.00 0.00 0.00 175.10 174.15 3h5a s SER 212 N 1.52 0.09 -0.21 3.32 1.04 -1.20 -2.20 113.70 116.05 3h5a s SER 212 Ca 0.08 -2.22 -0.00 0.00 0.48 0.00 0.00 55.95 54.29 3h5a s SER 212 Cb -0.21 0.76 0.05 0.00 0.10 0.00 0.00 66.02 66.72 3h5a s SER 212 CO -0.05 -0.13 -0.04 0.00 0.98 0.00 0.00 173.24 174.00 3h5a s ALA 213 N 0.66 1.66 0.61 5.32 0.00 -1.26 -4.46 121.76 124.29 3h5a s ALA 213 Ca 0.29 -1.09 0.27 0.00 0.00 0.00 0.00 51.96 51.42 3h5a s ALA 213 Cb -0.01 -1.30 1.44 0.00 0.00 0.00 0.00 23.12 23.25 3h5a s ALA 213 CO -0.11 -1.07 1.80 0.38 0.00 0.00 0.00 175.76 176.77 3h5a h ASP 214 N 8.05 0.00 -4.17 0.00 2.03 -1.97 -3.40 116.42 116.96 3h5a h ASP 214 Ca -0.20 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 55.54 3h5a h ASP 214 Cb 1.09 0.00 -0.30 0.00 -0.83 0.00 0.00 39.33 39.29 3h5a h ASP 214 CO 0.40 0.00 -0.84 -2.28 -1.03 0.00 0.00 179.24 175.49 3h5a s HIS 215 N -4.02 1.70 0.56 4.15 5.04 -1.26 -3.70 115.29 117.76 3h5a s HIS 215 Ca -0.03 -0.39 -0.21 0.00 -1.54 0.00 0.00 55.06 52.89 3h5a s HIS 215 Cb 0.08 -1.12 -0.04 0.00 0.04 0.00 0.00 32.58 31.54 3h5a s HIS 215 CO 0.24 -0.09 1.30 -1.25 -2.34 0.00 0.00 174.74 172.60 3h5a s PRO 216 N -0.24 3.06 0.59 2.88 0.04 -1.26 -4.95 135.00 135.12 3h5a s PRO 216 Ca 0.03 2.08 0.29 0.00 0.04 0.00 0.00 61.00 63.44 3h5a s PRO 216 Cb -0.09 -2.14 1.43 0.00 0.04 0.00 0.00 34.50 33.74 3h5a s PRO 216 CO 0.01 -1.20 1.83 0.27 0.04 0.00 0.00 177.00 177.95 3h5a h PHE 217 N 1.25 0.00 -0.40 0.56 -0.00 -1.90 -0.81 116.94 115.63 3h5a h PHE 217 Ca -0.51 0.00 -0.05 0.00 -0.00 0.00 0.00 57.97 57.41 3h5a h PHE 217 Cb 1.30 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 37.22 3h5a h PHE 217 CO 0.46 0.00 0.04 0.27 -0.00 0.00 0.00 178.31 179.07 3h5a n ASN 218 N -3.67 4.19 -0.11 -0.68 6.94 -1.26 -4.55 115.26 116.12 3h5a n ASN 218 Ca 0.10 -3.12 0.02 0.00 -0.02 0.00 0.00 54.58 51.56 3h5a n ASN 218 Cb 0.77 -0.61 0.34 0.00 -2.36 0.00 0.00 39.78 37.92 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 2.20 0.67 -0.69 -4.53 5.85 -1.48 -2.67 115.31 114.66 3h5a h LEU 219 Ca 0.07 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.66 3h5a h LEU 219 Cb 1.70 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.55 3h5a h LEU 219 CO 0.37 0.48 -0.18 0.40 -0.34 0.00 0.00 178.44 179.17 3h5a h ILE 220 N 0.79 1.27 -0.25 4.05 1.08 -1.83 0.04 117.51 122.66 3h5a h ILE 220 Ca 0.22 -1.29 0.03 0.00 -0.39 0.00 0.00 64.86 63.42 3h5a h ILE 220 Cb -0.08 1.13 -0.03 0.00 -3.07 0.00 0.00 36.82 34.77 3h5a h ILE 220 CO -0.05 0.44 0.06 0.78 -0.69 0.00 0.00 178.15 178.69 3h5a h ASN 221 N 0.72 0.05 0.12 1.72 -0.26 -1.82 0.23 115.58 116.35 3h5a h ASN 221 Ca 0.11 0.03 -0.00 0.00 -0.56 0.00 0.00 56.30 55.88 3h5a h ASN 221 Cb 0.70 0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 37.99 3h5a h ASN 221 CO 0.05 0.06 -0.14 -0.50 -1.06 0.00 0.00 177.43 175.84 3h5a h TRP 222 N 0.17 -0.39 -1.06 1.19 6.55 -1.41 -1.54 115.95 119.46 3h5a h TRP 222 Ca 0.11 0.00 0.32 0.00 0.95 0.00 0.00 58.89 60.28 3h5a h TRP 222 Cb 0.10 0.15 -0.13 0.00 -0.86 0.00 0.00 29.16 28.42 3h5a h TRP 222 CO -0.14 -0.18 0.63 0.28 -1.05 0.00 0.00 178.44 177.98 3h5a h VAL 223 N -0.26 0.33 0.02 1.49 2.07 -0.90 -0.14 116.25 118.87 3h5a h VAL 223 Ca -0.01 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 3h5a h VAL 223 Cb 0.23 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 3h5a h VAL 223 CO -0.03 0.06 -0.01 -1.13 0.02 0.00 0.00 177.57 176.48 3h5a h ASN 224 N 0.33 -0.03 0.35 0.57 -1.24 -0.24 -0.22 115.58 115.09 3h5a h ASN 224 Ca 0.72 -0.40 -0.00 0.00 0.71 0.00 0.00 56.30 57.33 3h5a h ASN 224 Cb 1.74 0.01 -0.03 0.00 0.73 0.00 0.00 38.32 40.77 3h5a h ASN 224 CO -0.51 0.39 -0.46 0.11 -1.29 0.00 0.00 177.43 175.67 3h5a h LYS 225 N -0.45 -0.82 -0.75 6.67 1.57 -0.19 -1.32 116.57 121.28 3h5a h LYS 225 Ca -0.00 0.06 0.12 0.00 -1.87 0.00 0.00 60.65 58.95 3h5a h LYS 225 Cb 0.43 0.19 -0.08 0.00 0.08 0.00 0.00 32.23 32.84 3h5a h LYS 225 CO 0.01 -0.55 0.35 -0.92 -0.57 0.00 0.00 179.45 177.77 3h5a h TYR 226 N -0.85 0.62 -0.14 -1.35 3.20 -1.08 -1.35 116.97 116.02 3h5a h TYR 226 Ca -0.03 0.03 -0.20 0.00 3.14 0.00 0.00 58.73 61.67 3h5a h TYR 226 Cb 0.78 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.89 3h5a h TYR 226 CO -0.29 0.17 -0.71 0.00 -1.64 0.00 0.00 178.16 175.69 3h5a h VAL 228 N 0.45 0.93 -0.53 0.00 2.07 -0.88 0.13 116.25 118.42 3h5a h VAL 228 Ca -0.03 -0.02 -0.07 0.00 0.82 0.00 0.00 66.70 67.40 3h5a h VAL 228 Cb 1.31 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 3h5a h VAL 228 CO 0.14 0.01 0.04 0.03 0.02 0.00 0.00 177.57 177.81 3h5a h ARG 229 N 0.05 0.88 -0.53 1.57 2.47 -1.04 -3.07 114.38 114.71 3h5a h ARG 229 Ca 0.05 -0.23 0.00 0.00 -1.26 0.00 0.00 59.98 58.54 3h5a h ARG 229 Cb 0.05 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.27 3h5a h ARG 229 CO -0.08 0.85 0.00 0.00 0.56 0.00 0.00 179.97 181.30 3h5a n ALA 230 N -2.47 2.42 -3.80 0.04 0.00 0.79 -4.95 120.51 112.54 3h5a n ALA 230 Ca 0.03 -0.98 -0.27 0.00 0.00 0.00 0.00 53.44 52.22 3h5a n ALA 230 Cb 0.29 -0.95 0.04 0.00 0.00 0.00 0.00 19.45 18.83 3h5a n ALA 230 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3h5a n ASN 231 N 1.18 -4.84 -4.14 0.00 2.85 -0.43 -4.98 115.26 104.90 3h5a n ASN 231 Ca 0.19 -0.72 -0.33 0.00 -0.11 0.00 0.00 54.58 53.61 3h5a n ASN 231 Cb 0.49 -4.23 -0.15 0.00 1.24 0.00 0.00 39.78 37.13 3h5a n ASN 231 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 3h5a s GLN 232 N -6.45 2.64 0.29 1.20 2.00 0.32 -4.91 119.66 114.74 3h5a s GLN 232 Ca 0.57 -1.09 -0.30 0.00 -2.00 0.00 0.00 55.36 52.54 3h5a s GLN 232 Cb -0.28 -2.89 -0.11 0.00 0.80 0.00 0.00 33.01 30.54 3h5a s GLN 232 CO 0.80 -0.44 1.48 -2.14 -0.50 0.00 0.00 175.29 174.49 3h5a s PRO 233 N 1.24 4.21 0.15 1.67 0.02 -1.26 -4.67 135.00 136.37 3h5a s PRO 233 Ca -0.02 2.41 -0.00 0.00 0.02 0.00 0.00 61.00 63.40 3h5a s PRO 233 Cb -0.17 -3.06 -0.04 0.00 0.02 0.00 0.00 34.50 31.24 3h5a s PRO 233 CO -0.06 -0.47 0.06 1.52 -0.33 0.00 0.00 177.00 177.72 3h5a s TYR 234 N -0.28 1.00 0.02 6.54 1.13 -1.11 -1.45 117.35 123.19 3h5a s TYR 234 Ca 0.58 -1.22 0.01 0.00 -1.41 0.00 0.00 57.07 55.04 3h5a s TYR 234 Cb -0.44 -0.55 -0.01 0.00 -1.10 0.00 0.00 41.96 39.86 3h5a s TYR 234 CO 0.48 -0.48 -0.05 -1.50 -2.51 0.00 0.00 175.55 171.50 3h5a s ILE 235 N -3.98 0.31 0.09 -3.49 2.07 -0.11 -0.08 121.20 116.01 3h5a s ILE 235 Ca 0.27 -0.61 0.08 0.00 -1.41 0.00 0.00 60.65 58.98 3h5a s ILE 235 Cb 0.07 -0.35 -0.04 0.00 0.13 0.00 0.00 42.46 42.27 3h5a s ILE 235 CO 0.04 -0.20 -0.16 0.21 -1.91 0.00 0.00 174.94 172.92 3h5a s ASN 236 N -0.86 3.98 0.07 4.50 3.84 -1.06 -0.60 114.94 124.81 3h5a s ASN 236 Ca -0.06 -0.47 -0.16 0.00 0.21 0.00 0.00 52.86 52.38 3h5a s ASN 236 Cb -0.06 -0.64 0.03 0.00 -0.55 0.00 0.00 41.25 40.03 3h5a s ASN 236 CO -0.00 0.21 0.37 0.00 -2.79 0.00 0.00 177.10 174.89 3h5a s ALA 237 N -1.09 -0.86 0.00 1.71 0.00 -0.94 -0.40 121.76 120.19 3h5a s ALA 237 Ca 0.18 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.21 3h5a s ALA 237 Cb -0.11 0.45 0.00 0.00 0.00 0.00 0.00 23.12 23.47 3h5a s ALA 237 CO 0.09 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 175.76 3h5a n GLY 238 N 0.26 -0.98 3.14 0.00 0.00 0.23 -4.31 105.19 103.53 3h5a n GLY 238 Ca -0.18 -1.02 -0.09 0.00 0.00 0.00 0.00 46.02 44.73 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 -3.00 0.18 -0.24 1.61 1.13 -1.26 0.14 117.35 115.91 3h5a s TYR 239 Ca 0.00 -0.50 0.01 0.00 -1.41 0.00 0.00 57.07 55.16 3h5a s TYR 239 Cb 0.00 -0.12 0.06 0.00 -1.10 0.00 0.00 41.96 40.80 3h5a s TYR 239 CO 0.00 -0.40 -0.03 0.08 -2.51 0.00 0.00 175.55 172.69 3h5a s VAL 240 N -2.85 1.45 0.00 -3.49 1.01 -0.08 -4.92 120.40 111.52 3h5a s VAL 240 Ca -0.03 -1.24 0.00 0.00 0.00 0.00 0.00 61.98 60.71 3h5a s VAL 240 Cb 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.61 3h5a s VAL 240 CO -0.06 -0.18 0.00 0.59 0.00 0.00 0.00 175.10 175.46 3h5a n ASN 241 N 4.69 0.00 -1.58 3.32 5.03 -1.26 -1.10 115.26 124.36 3h5a n ASN 241 Ca -0.10 0.00 0.08 0.00 0.87 0.00 0.00 54.58 55.43 3h5a n ASN 241 Cb 0.44 0.00 0.36 0.00 -1.02 0.00 0.00 39.78 39.56 3h5a n ASN 241 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 3h5a n ASP 242 N 3.09 4.98 -4.55 6.41 5.75 -1.25 -4.53 116.55 126.45 3h5a n ASP 242 Ca 0.00 -2.70 -0.34 0.00 -0.01 0.00 0.00 54.79 51.74 3h5a n ASP 242 Cb 0.00 -0.60 -0.11 0.00 -1.03 0.00 0.00 41.12 39.38 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 -2.31 4.26 -0.06 2.12 1.01 -0.26 -3.33 121.20 122.63 3h5a s ILE 243 Ca 0.50 -0.22 -0.21 0.00 0.00 0.00 0.00 60.65 60.72 3h5a s ILE 243 Cb 0.36 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 3h5a s ILE 243 CO 0.19 0.48 0.61 0.00 0.00 0.00 0.00 174.94 176.22 3h5a s ALA 244 N 0.37 3.42 -0.05 9.38 0.00 -0.43 -0.90 121.76 133.54 3h5a s ALA 244 Ca -0.01 0.02 0.05 0.00 0.00 0.00 0.00 51.96 52.02 3h5a s ALA 244 Cb -0.13 -2.81 -0.02 0.00 0.00 0.00 0.00 23.12 20.15 3h5a s ALA 244 CO 0.02 0.00 -0.19 0.08 0.00 0.00 0.00 175.76 175.67 3h5a s VAL 245 N 0.46 2.60 0.06 0.00 1.01 0.12 -0.41 120.40 124.24 3h5a s VAL 245 Ca 0.33 -0.89 -0.14 0.00 0.00 0.00 0.00 61.98 61.27 3h5a s VAL 245 Cb -0.17 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.25 3h5a s VAL 245 CO 0.16 0.58 0.32 0.72 0.00 0.00 0.00 175.10 176.88 3h5a s PHE 246 N -0.55 -0.11 0.00 5.22 -0.71 -0.54 -0.60 117.98 120.69 3h5a s PHE 246 Ca 0.08 -0.07 0.00 0.00 -1.04 0.00 0.00 56.93 55.90 3h5a s PHE 246 Cb -0.11 0.12 0.00 0.00 -1.21 0.00 0.00 43.02 41.82 3h5a s PHE 246 CO 0.01 -0.55 0.00 0.41 -1.34 0.00 0.00 175.22 173.75 3h5a n GLY 247 N 0.38 0.51 3.76 1.99 0.00 0.46 -0.78 105.19 111.50 3h5a n GLY 247 Ca -0.18 -1.80 -0.32 0.00 0.00 0.00 0.00 46.02 43.73 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 -2.54 2.24 -0.32 1.61 0.04 -1.11 -4.46 135.00 130.46 3h5a s PRO 248 Ca 0.00 1.29 -0.13 0.00 0.04 0.00 0.00 61.00 62.21 3h5a s PRO 248 Cb 0.00 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.63 3h5a s PRO 248 CO 0.00 -1.67 0.25 -1.17 0.04 0.00 0.00 177.00 174.45 3h5a s LEU 249 N -5.71 4.38 -0.24 -3.56 0.20 -0.30 -2.58 118.68 110.88 3h5a s LEU 249 Ca 0.64 -0.28 -0.17 0.00 0.69 0.00 0.00 54.13 55.01 3h5a s LEU 249 Cb -0.19 -2.17 -0.03 0.00 -0.43 0.00 0.00 46.19 43.36 3h5a s LEU 249 CO 0.52 -0.21 0.49 -0.47 -0.29 0.00 0.00 176.35 176.39 3h5a s TYR 250 N 1.79 3.31 -0.25 5.38 5.04 0.89 -4.26 117.35 129.25 3h5a s TYR 250 Ca 0.07 0.65 0.00 0.00 -2.44 0.00 0.00 57.07 55.36 3h5a s TYR 250 Cb -0.17 -2.66 0.04 0.00 0.35 0.00 0.00 41.96 39.52 3h5a s TYR 250 CO 0.11 -0.19 -0.09 0.08 -1.34 0.00 0.00 175.55 174.12 3h5a s VAL 251 N 1.96 2.54 -0.10 3.14 1.01 -1.26 -2.77 120.40 124.91 3h5a s VAL 251 Ca 0.21 -1.27 -0.39 0.00 0.00 0.00 0.00 61.98 60.52 3h5a s VAL 251 Cb -0.15 -2.35 -0.17 0.00 0.00 0.00 0.00 36.38 33.70 3h5a s VAL 251 CO 0.09 0.12 1.47 -2.65 0.00 0.00 0.00 175.10 174.14 3h5a n PRO 252 N 4.57 0.92 0.00 2.72 -0.02 -1.26 -1.27 135.00 140.67 3h5a n PRO 252 Ca -0.16 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 3h5a n PRO 252 Cb 0.45 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 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 3.11 1.89 0.19 -1.23 0.00 -1.26 -4.68 105.19 103.21 3h5a n GLY 253 Ca 0.22 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.29 3h5a n GLY 253 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3h5a n LYS 254 N -1.82 2.34 -4.06 1.61 -0.00 -0.39 -5.06 118.16 110.78 3h5a n LYS 254 Ca 0.00 -0.52 -0.12 0.00 -0.00 0.00 0.00 58.31 57.67 3h5a n LYS 254 Cb 0.00 -1.06 -0.05 0.00 -0.00 0.00 0.00 35.03 33.92 3h5a n LYS 254 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 3h5a s THR 255 N -1.41 0.00 0.81 0.58 -4.23 -0.57 -4.94 115.64 105.87 3h5a s THR 255 Ca 0.08 -1.56 -0.12 0.00 -1.18 0.00 0.00 61.69 58.91 3h5a s THR 255 Cb 0.08 -2.49 0.07 0.00 1.34 0.00 0.00 72.50 71.50 3h5a s THR 255 CO 0.27 0.00 1.11 -0.83 -0.54 0.00 0.00 174.62 174.63 3h5a s GLY 256 N -3.15 1.61 0.52 3.99 0.00 -1.25 -4.67 107.32 104.37 3h5a s GLY 256 Ca 0.28 -0.34 0.03 0.00 0.00 0.00 0.00 44.72 44.70 3h5a s GLY 256 CO 0.15 0.11 0.17 0.00 0.00 0.00 0.00 173.10 173.54 3h5a n TYR 258 N -1.47 0.59 0.20 0.00 9.36 -1.26 -2.12 117.16 122.46 3h5a n TYR 258 Ca -0.11 0.29 0.05 0.00 3.32 0.00 0.00 57.90 61.44 3h5a n TYR 258 Cb 0.66 -0.96 -0.07 0.00 -0.63 0.00 0.00 39.34 38.34 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 -2.09 1.75 -0.38 2.98 4.07 -1.26 -4.64 120.64 121.07 3h5a n GLU 259 Ca -0.00 -0.05 -0.11 0.00 -0.06 0.00 0.00 57.16 56.93 3h5a n GLU 259 Cb 0.08 -1.13 -0.09 0.00 -0.06 0.00 0.00 31.44 30.24 3h5a n GLU 259 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3h5a n GLN 261 N -5.28 2.11 -3.97 0.00 1.13 -1.26 -4.63 117.38 105.48 3h5a n GLN 261 Ca 0.02 -1.72 -0.33 0.00 -1.94 0.00 0.00 57.00 53.02 3h5a n GLN 261 Cb 0.28 -1.38 -0.00 0.00 0.11 0.00 0.00 30.24 29.25 3h5a n GLN 261 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 3h5a n LYS 262 N 0.90 -0.51 0.02 -1.09 2.85 0.34 -4.92 118.16 115.75 3h5a n LYS 262 Ca 0.16 -0.08 -0.01 0.00 -1.05 0.00 0.00 58.31 57.33 3h5a n LYS 262 Cb 0.41 -1.71 -0.01 0.00 -0.65 0.00 0.00 35.03 33.07 3h5a n LYS 262 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 3h5a h VAL 263 N -1.12 0.00 -3.60 0.58 2.07 -1.83 -3.47 116.25 108.89 3h5a h VAL 263 Ca -0.52 -0.22 -0.53 0.00 0.82 0.00 0.00 66.70 66.26 3h5a h VAL 263 Cb 1.03 0.00 0.06 0.00 -1.52 0.00 0.00 31.29 30.86 3h5a h VAL 263 CO 0.40 0.00 0.72 -0.69 0.02 0.00 0.00 177.57 178.02 3h5a s VAL 264 N -1.65 2.62 -0.15 2.57 1.01 -1.26 -4.93 120.40 118.61 3h5a s VAL 264 Ca -0.01 0.56 -0.25 0.00 0.00 0.00 0.00 61.98 62.28 3h5a s VAL 264 Cb 0.00 -3.36 -0.11 0.00 0.00 0.00 0.00 36.38 32.91 3h5a s VAL 264 CO 0.03 0.11 0.78 0.00 0.00 0.00 0.00 175.10 176.02 3h5a n ALA 265 N 1.65 -1.49 -2.34 5.51 0.00 -1.26 -4.98 120.51 117.60 3h5a n ALA 265 Ca 0.04 0.31 -0.42 0.00 0.00 0.00 0.00 53.44 53.38 3h5a n ALA 265 Cb 0.41 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.76 3h5a n ALA 265 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3h5a s ASP 266 N 0.93 7.22 -0.10 0.00 1.01 -1.26 -5.04 116.67 119.43 3h5a s ASP 266 Ca 0.57 1.97 -0.22 0.00 0.71 0.00 0.00 52.55 55.58 3h5a s ASP 266 Cb -0.80 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 40.51 3h5a s ASP 266 CO 0.40 -0.32 0.63 -0.22 0.21 0.00 0.00 175.17 175.87 3h5a s LEU 267 N 0.48 4.28 0.05 1.23 0.20 -1.26 -5.06 118.68 118.60 3h5a s LEU 267 Ca 0.54 1.04 0.03 0.00 0.69 0.00 0.00 54.13 56.43 3h5a s LEU 267 Cb -0.28 -2.95 -0.03 0.00 -0.43 0.00 0.00 46.19 42.50 3h5a s LEU 267 CO 0.31 -0.11 -0.09 -0.31 -0.29 0.00 0.00 176.35 175.86 3h5a s TYR 268 N 0.90 0.81 0.00 5.38 1.51 -1.26 -5.16 117.35 119.52 3h5a s TYR 268 Ca 0.33 -0.49 0.00 0.00 -1.01 0.00 0.00 57.07 55.90 3h5a s TYR 268 Cb -0.17 -0.47 0.00 0.00 -0.11 0.00 0.00 41.96 41.21 3h5a s TYR 268 CO 0.15 -0.05 0.00 0.41 -1.11 0.00 0.00 175.55 174.95 3h5a n GLY 269 N 1.40 0.95 3.89 0.71 0.00 -1.26 -5.10 105.19 105.78 3h5a n GLY 269 Ca -0.22 -1.92 -0.33 0.00 0.00 0.00 0.00 46.02 43.55 3h5a n GLY 269 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3h5a s SER 270 N -1.00 6.52 0.48 1.61 0.15 -1.26 -4.99 113.70 115.21 3h5a s SER 270 Ca 0.00 0.61 0.23 0.00 0.70 0.00 0.00 55.95 57.49 3h5a s SER 270 Cb 0.00 -2.10 1.23 0.00 -1.71 0.00 0.00 66.02 63.44 3h5a s SER 270 CO 0.00 0.15 2.00 1.05 1.20 0.00 0.00 173.24 177.64 3h5a h GLU 271 N 3.42 0.00 -5.77 5.44 -0.00 -1.99 -3.43 114.58 112.25 3h5a h GLU 271 Ca -0.48 0.00 -0.57 0.00 -0.00 0.00 0.00 59.36 58.31 3h5a h GLU 271 Cb 1.18 0.00 -0.08 0.00 -0.00 0.00 0.00 28.75 29.85 3h5a h GLU 271 CO 0.69 0.17 -0.10 0.15 -0.00 0.00 0.00 179.01 179.92 3h5a s LYS 272 N -4.21 4.35 0.13 1.06 1.02 -1.26 -4.98 119.74 115.84 3h5a s LYS 272 Ca -0.03 0.50 -0.14 0.00 0.02 0.00 0.00 55.97 56.33 3h5a s LYS 272 Cb 0.13 -3.44 -0.01 0.00 -0.52 0.00 0.00 37.83 33.99 3h5a s LYS 272 CO 0.63 0.13 1.56 0.93 -0.92 0.00 0.00 175.35 177.68 3h5a h GLU 273 N 6.76 0.77 0.00 1.68 5.08 -2.00 -1.14 114.58 125.73 3h5a h GLU 273 Ca -0.41 -0.26 -0.08 0.00 -1.00 0.00 0.00 59.36 57.61 3h5a h GLU 273 Cb 1.18 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 3h5a h GLU 273 CO 0.76 0.86 -0.40 -2.95 -1.00 0.00 0.00 179.01 176.27 3h5a h ASN 274 N 0.59 0.00 1.13 1.42 7.08 -1.96 -2.23 115.58 121.62 3h5a h ASN 274 Ca 0.11 0.00 -0.05 0.00 -3.08 0.00 0.00 56.30 53.28 3h5a h ASN 274 Cb 0.54 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.77 3h5a h ASN 274 CO 0.03 0.40 -0.90 0.16 -2.08 0.00 0.00 177.43 175.04 3h5a h ILE 275 N 0.00 0.22 -0.61 6.14 -0.00 -1.93 -3.34 117.51 117.99 3h5a h ILE 275 Ca -0.00 -1.38 -0.08 0.00 -0.00 0.00 0.00 64.86 63.40 3h5a h ILE 275 Cb 0.89 1.81 -0.02 0.00 -0.00 0.00 0.00 36.82 39.49 3h5a h ILE 275 CO 0.05 0.12 0.08 -0.78 -0.00 0.00 0.00 178.15 177.62 3h5a h ASP 276 N 0.00 0.98 -0.88 2.16 3.58 -0.63 -1.44 116.42 120.19 3h5a h ASP 276 Ca -0.04 -0.27 0.03 0.00 0.42 0.00 0.00 57.03 57.16 3h5a h ASP 276 Cb 1.19 -0.26 -0.05 0.00 1.72 0.00 0.00 39.33 41.93 3h5a h ASP 276 CO 0.02 1.01 0.57 0.45 -2.88 0.00 0.00 179.24 178.41 3h5a h HIS 277 N 0.92 1.08 0.26 0.28 3.86 -1.57 0.27 115.15 120.26 3h5a h HIS 277 Ca 0.18 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.41 3h5a h HIS 277 Cb 0.46 -0.36 -0.00 0.00 1.06 0.00 0.00 27.41 28.56 3h5a h HIS 277 CO 0.03 0.64 -0.16 0.87 0.86 0.00 0.00 177.93 180.17 3h5a h LYS 278 N 1.13 -0.40 -0.52 2.45 1.57 -1.63 -1.25 116.57 117.92 3h5a h LYS 278 Ca 0.34 0.03 0.08 0.00 -1.87 0.00 0.00 60.65 59.23 3h5a h LYS 278 Cb -0.04 0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.30 3h5a h LYS 278 CO -0.10 -0.26 0.16 0.82 -0.57 0.00 0.00 179.45 179.50 3h5a h ILE 279 N -0.41 0.78 -1.00 1.86 2.04 -0.61 -1.20 117.51 118.98 3h5a h ILE 279 Ca -0.02 -0.11 0.09 0.00 1.00 0.00 0.00 64.86 65.81 3h5a h ILE 279 Cb 0.35 0.42 -0.07 0.00 -0.74 0.00 0.00 36.82 36.78 3h5a h ILE 279 CO 0.02 0.06 0.64 0.11 0.00 0.00 0.00 178.15 178.98 3h5a h LYS 280 N 0.33 1.06 0.34 2.37 1.79 -0.22 -0.10 116.57 122.14 3h5a h LYS 280 Ca 0.26 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.65 3h5a h LYS 280 Cb 0.31 -0.24 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 3h5a h LYS 280 CO -0.28 0.70 -0.16 1.25 -1.08 0.00 0.00 179.45 179.87 3h5a h LEU 281 N 1.09 -0.39 -0.71 2.94 5.85 -0.57 -1.85 115.31 121.68 3h5a h LEU 281 Ca 0.45 -0.16 0.15 0.00 0.84 0.00 0.00 57.88 59.17 3h5a h LEU 281 Cb 0.30 0.10 -0.11 0.00 0.37 0.00 0.00 40.66 41.31 3h5a h LEU 281 CO -0.20 0.03 0.10 0.40 -0.34 0.00 0.00 178.44 178.43 3h5a h ILE 282 N -0.89 0.47 0.00 4.05 2.04 -1.01 -0.14 117.51 122.03 3h5a h ILE 282 Ca -0.05 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.75 3h5a h ILE 282 Cb 0.53 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3h5a h ILE 282 CO 0.08 0.04 0.00 0.78 0.00 0.00 0.00 178.15 179.04 3h5a h ASN 283 N 0.20 0.00 1.17 1.72 2.35 -0.95 -2.77 115.58 117.29 3h5a h ASN 283 Ca 0.39 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 56.07 3h5a h ASN 283 Cb 0.67 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.03 3h5a h ASN 283 CO -0.54 0.00 -0.36 0.77 -1.65 0.00 0.00 177.43 175.65 3h5a h SER 284 N 0.00 0.00 0.31 5.81 4.64 -0.14 -3.06 113.55 121.11 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 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3h5a h SER 284 CO 0.00 0.36 -0.15 0.54 -0.87 0.00 0.00 176.83 176.71 3h5a n ARG 285 N -3.35 0.76 -2.00 4.77 1.74 -1.05 -4.94 116.66 112.60 3h5a n ARG 285 Ca 0.01 -0.33 -0.42 0.00 -0.77 0.00 0.00 57.85 56.34 3h5a n ARG 285 Cb 0.57 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.49 3h5a n ARG 285 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3h5a s PHE 286 N -2.47 3.05 -0.01 -1.55 5.36 -1.16 -5.04 117.98 116.16 3h5a s PHE 286 Ca 0.28 0.89 0.03 0.00 -0.96 0.00 0.00 56.93 57.17 3h5a s PHE 286 Cb 0.20 -3.84 -0.00 0.00 -0.34 0.00 0.00 43.02 39.03 3h5a s PHE 286 CO 0.48 -2.89 -0.08 0.15 -1.46 0.00 0.00 175.22 171.42 3h5a s LYS 287 N 0.22 0.71 0.31 10.12 1.02 -1.26 -5.12 119.74 125.73 3h5a s LYS 287 Ca 0.63 -0.29 -0.29 0.00 0.02 0.00 0.00 55.97 56.04 3h5a s LYS 287 Cb -0.42 -0.68 -0.10 0.00 -0.52 0.00 0.00 37.83 36.11 3h5a s LYS 287 CO 0.38 0.17 1.33 -1.25 -0.92 0.00 0.00 175.35 175.06 3h5a s PRO 288 N -0.13 4.34 -0.91 -1.68 0.04 -1.26 -4.98 135.00 130.43 3h5a s PRO 288 Ca 0.02 2.22 -0.19 0.00 0.04 0.00 0.00 61.00 63.09 3h5a s PRO 288 Cb -0.04 -3.08 0.12 0.00 0.04 0.00 0.00 34.50 31.54 3h5a s PRO 288 CO -0.00 -0.23 1.12 0.00 0.04 0.00 0.00 177.00 177.93 3h5a s ALA 289 N -0.89 3.33 0.49 8.56 0.00 -1.26 -5.02 121.76 126.97 3h5a s ALA 289 Ca 0.51 -2.69 0.08 0.00 0.00 0.00 0.00 51.96 49.86 3h5a s ALA 289 Cb -0.40 -4.05 0.04 0.00 0.00 0.00 0.00 23.12 18.71 3h5a s ALA 289 CO 0.51 -2.98 0.61 0.95 0.00 0.00 0.00 175.76 174.84 3h5a s THR 290 N 2.83 2.48 -0.29 0.00 -4.23 -1.26 -3.85 115.64 111.33 3h5a s THR 290 Ca 0.32 -1.11 0.03 0.00 -1.18 0.00 0.00 61.69 59.75 3h5a s THR 290 Cb -0.06 -2.58 0.18 0.00 1.34 0.00 0.00 72.50 71.38 3h5a s THR 290 CO -0.08 0.00 0.50 0.12 -0.54 0.00 0.00 174.62 174.62 3h5a s PHE 291 N -2.54 -1.39 0.29 3.99 5.36 -1.26 -5.04 117.98 117.40 3h5a s PHE 291 Ca 0.54 0.84 0.07 0.00 -0.96 0.00 0.00 56.93 57.43 3h5a s PHE 291 Cb -0.06 0.13 0.84 0.00 -0.34 0.00 0.00 43.02 43.59 3h5a s PHE 291 CO 0.33 -0.98 1.37 0.00 -1.46 0.00 0.00 175.22 174.48 3h5a n ALA 292 N 5.39 0.60 0.23 11.12 0.00 -1.26 -0.36 120.51 136.23 3h5a n ALA 292 Ca 0.02 0.92 0.16 0.00 0.00 0.00 0.00 53.44 54.53 3h5a n ALA 292 Cb 0.51 -0.75 0.83 0.00 0.00 0.00 0.00 19.45 20.04 3h5a n ALA 292 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3h5a h PRO 293 N 0.00 0.00 0.11 0.00 0.11 -1.97 -1.83 132.00 128.42 3h5a h PRO 293 Ca 0.60 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.71 3h5a h PRO 293 Cb 1.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.50 3h5a h PRO 293 CO -0.77 0.00 -0.05 0.28 -0.21 0.00 0.00 178.00 177.25 3h5a h VAL 294 N 0.00 0.86 -0.07 3.15 2.07 -1.08 -2.80 116.25 118.38 3h5a h VAL 294 Ca 0.06 -1.33 0.01 0.00 0.82 0.00 0.00 66.70 66.25 3h5a h VAL 294 Cb 0.32 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 3h5a h VAL 294 CO -0.00 0.25 -0.04 -3.20 0.02 0.00 0.00 177.57 174.60 3h5a n ASN 295 N -4.84 -0.08 -0.30 0.57 4.05 -1.12 -1.39 115.26 112.15 3h5a n ASN 295 Ca -0.07 0.21 0.01 0.00 0.45 0.00 0.00 54.58 55.18 3h5a n ASN 295 Cb 0.26 -0.06 0.14 0.00 1.23 0.00 0.00 39.78 41.35 3h5a n ASN 295 CO 0.00 0.00 0.00 0.78 -3.05 0.00 0.00 177.26 174.99 3h5a h ASN 296 N 0.00 0.80 -0.31 1.20 2.35 -1.33 -2.02 115.58 116.28 3h5a h ASN 296 Ca 0.01 0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.74 3h5a h ASN 296 Cb 0.03 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 3h5a h ASN 296 CO -0.07 0.50 0.01 0.58 -1.65 0.00 0.00 177.43 176.81 3h5a h VAL 297 N 0.93 1.25 0.09 2.81 2.07 -0.95 -1.22 116.25 121.24 3h5a h VAL 297 Ca 0.37 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 3h5a h VAL 297 Cb 0.20 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 3h5a h VAL 297 CO -0.18 0.30 -0.05 0.00 0.02 0.00 0.00 177.57 177.66 3h5a h ALA 298 N 0.85 -0.13 -0.68 1.67 0.00 -1.28 -2.42 119.26 117.27 3h5a h ALA 298 Ca 0.09 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.04 3h5a h ALA 298 Cb 0.42 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 3h5a h ALA 298 CO 0.01 -0.54 0.31 0.00 0.00 0.00 0.00 179.25 179.04 3h5a h ALA 299 N 0.71 0.92 -0.14 0.00 0.00 -1.26 0.10 119.26 119.59 3h5a h ALA 299 Ca -0.01 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3h5a h ALA 299 Cb 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3h5a h ALA 299 CO 0.02 -0.11 -0.32 0.00 0.00 0.00 0.00 179.25 178.84 3h5a h ALA 300 N 1.43 0.23 -0.75 0.00 0.00 -1.13 -0.17 119.26 118.87 3h5a h ALA 300 Ca 0.34 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3h5a h ALA 300 Cb 0.39 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3h5a h ALA 300 CO -0.29 0.27 0.44 -0.07 0.00 0.00 0.00 179.25 179.59 3h5a h LEU 301 N 0.07 0.91 -0.27 0.00 3.38 -1.28 0.01 115.31 118.14 3h5a h LEU 301 Ca -0.00 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3h5a h LEU 301 Cb 0.92 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3h5a h LEU 301 CO 0.07 0.71 0.15 0.00 0.09 0.00 0.00 178.44 179.46 3h5a h ALA 303 N 1.03 1.27 -0.38 0.00 0.00 -0.65 -2.22 119.26 118.31 3h5a h ALA 303 Ca 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3h5a h ALA 303 Cb 0.06 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3h5a h ALA 303 CO -0.02 0.49 0.20 0.00 0.00 0.00 0.00 179.25 179.91 3h5a h ALA 304 N 1.42 0.49 -0.79 0.00 0.00 -0.68 -2.04 119.26 117.66 3h5a h ALA 304 Ca 0.10 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3h5a h ALA 304 Cb 0.42 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3h5a h ALA 304 CO 0.02 0.03 0.39 -0.44 0.00 0.00 0.00 179.25 179.26 3h5a h ASP 305 N 0.48 1.02 -0.69 0.00 3.32 -0.99 -2.38 116.42 117.18 3h5a h ASP 305 Ca 0.13 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 3h5a h ASP 305 Cb 0.09 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 3h5a h ASP 305 CO -0.02 0.85 0.42 0.58 -1.72 0.00 0.00 179.24 179.35 3h5a h VAL 306 N 1.12 1.20 -0.45 -1.35 2.07 -1.10 0.49 116.25 118.23 3h5a h VAL 306 Ca 0.27 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 3h5a h VAL 306 Cb 0.09 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 3h5a h VAL 306 CO -0.04 0.21 0.17 0.40 0.02 0.00 0.00 177.57 178.33 3h5a h ILE 307 N 0.95 1.21 -0.59 4.57 2.04 -1.05 -0.59 117.51 124.05 3h5a h ILE 307 Ca 0.25 -0.66 -0.06 0.00 1.00 0.00 0.00 64.86 65.39 3h5a h ILE 307 Cb -0.02 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3h5a h ILE 307 CO -0.05 0.24 0.15 0.11 0.00 0.00 0.00 178.15 178.60 3h5a h LYS 308 N 0.58 0.94 0.12 2.37 1.57 -1.34 -0.07 116.57 120.73 3h5a h LYS 308 Ca 0.15 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3h5a h LYS 308 Cb 0.21 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3h5a h LYS 308 CO -0.01 0.87 -0.06 0.35 -0.57 0.00 0.00 179.45 180.03 3h5a h PHE 309 N 0.85 -0.15 0.12 -1.35 3.57 -0.30 0.29 116.94 119.98 3h5a h PHE 309 Ca 0.18 -0.00 -0.27 0.00 3.53 0.00 0.00 57.97 61.41 3h5a h PHE 309 Cb 0.35 0.05 0.01 0.00 2.79 0.00 0.00 35.95 39.14 3h5a h PHE 309 CO 0.02 -0.02 -1.23 -0.84 -2.23 0.00 0.00 178.31 174.02 3h5a h ILE 310 N -0.24 1.48 0.00 1.41 3.07 -1.16 -3.17 117.51 118.90 3h5a h ILE 310 Ca -0.02 -2.99 0.00 0.00 1.55 0.00 0.00 64.86 63.40 3h5a h ILE 310 Cb 0.19 2.90 0.00 0.00 -0.27 0.00 0.00 36.82 39.65 3h5a h ILE 310 CO 0.03 0.88 0.00 0.61 -1.05 0.00 0.00 178.15 178.61 3h5a n GLY 311 N 1.48 -1.13 2.55 0.16 0.00 -0.04 -4.78 105.19 103.43 3h5a n GLY 311 Ca -0.09 0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 3h5a n GLY 311 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h5a n LYS 312 N -2.03 -2.39 -0.00 1.61 4.76 0.09 -4.70 118.16 115.48 3h5a n LYS 312 Ca 0.02 0.67 0.07 0.00 -2.87 0.00 0.00 58.31 56.20 3h5a n LYS 312 Cb 0.18 -5.30 -0.10 0.00 -1.84 0.00 0.00 35.03 27.97 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 -3.60 0.00 -3.55 2.13 4.11 -1.25 -5.04 117.16 109.97 3h5a n TYR 313 Ca -0.15 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.63 3h5a n TYR 313 Cb 0.62 -0.15 -0.04 0.00 -0.00 0.00 0.00 39.34 39.77 3h5a n TYR 313 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 3h5a s SER 314 N -2.99 -0.40 -0.24 9.48 0.15 -1.26 -4.83 113.70 113.62 3h5a s SER 314 Ca 0.01 -0.08 -0.29 0.00 0.70 0.00 0.00 55.95 56.28 3h5a s SER 314 Cb 0.11 0.52 -0.01 0.00 -1.71 0.00 0.00 66.02 64.93 3h5a s SER 314 CO 0.63 -0.86 1.33 -0.70 1.20 0.00 0.00 173.24 174.85 3h5a s GLU 315 N -3.43 4.02 0.50 5.44 2.12 -1.26 -4.67 118.70 121.42 3h5a s GLU 315 Ca 0.00 1.47 -0.23 0.00 0.36 0.00 0.00 54.97 56.56 3h5a s GLU 315 Cb 0.00 -3.86 -0.06 0.00 0.26 0.00 0.00 34.13 30.47 3h5a s GLU 315 CO -0.10 -0.99 1.39 -2.14 -0.54 0.00 0.00 175.26 172.89 3h5a s PRO 316 N 3.99 3.38 0.38 4.30 0.02 -1.26 -4.88 135.00 140.92 3h5a s PRO 316 Ca 0.58 2.33 0.06 0.00 0.02 0.00 0.00 61.00 63.98 3h5a s PRO 316 Cb -0.20 -2.43 0.74 0.00 0.02 0.00 0.00 34.50 32.63 3h5a s PRO 316 CO 0.21 -1.03 1.99 -0.07 -0.33 0.00 0.00 177.00 177.77 3h5a h LEU 317 N 1.84 0.51 -3.21 -5.54 4.07 -1.94 -3.19 115.31 107.86 3h5a h LEU 317 Ca -0.51 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.41 3h5a h LEU 317 Cb 1.29 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.90 3h5a h LEU 317 CO 0.59 0.44 0.00 -1.54 -1.08 0.00 0.00 178.44 176.85 3h5a n SER 318 N -4.40 4.96 -4.59 -0.43 3.41 -1.26 -4.84 113.62 106.46 3h5a n SER 318 Ca 0.03 -2.52 -0.52 0.00 -0.26 0.00 0.00 58.87 55.60 3h5a n SER 318 Cb 0.12 -0.60 -0.06 0.00 -0.26 0.00 0.00 64.21 63.41 3h5a n SER 318 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3h5a n LEU 319 N 1.09 1.67 -1.88 1.04 4.32 -1.21 -1.15 117.00 120.89 3h5a n LEU 319 Ca 0.26 1.12 -0.18 0.00 -0.02 0.00 0.00 56.01 57.19 3h5a n LEU 319 Cb 0.94 -1.19 -0.05 0.00 -1.62 0.00 0.00 43.42 41.51 3h5a n LEU 319 CO 0.26 -1.03 -0.20 0.59 -1.22 0.00 0.00 177.39 175.79 3h5a n ASN 320 N 2.63 -4.95 -3.75 -1.43 3.02 -1.26 -4.89 115.26 104.63 3h5a n ASN 320 Ca 0.19 0.29 -0.13 0.00 -0.03 0.00 0.00 54.58 54.90 3h5a n ASN 320 Cb 0.19 -4.31 -0.13 0.00 -0.61 0.00 0.00 39.78 34.91 3h5a n ASN 320 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3h5a s LYS 321 N -4.13 0.19 -0.23 3.52 1.02 -1.11 -0.35 119.74 118.65 3h5a s LYS 321 Ca 0.00 0.45 -0.09 0.00 0.02 0.00 0.00 55.97 56.35 3h5a s LYS 321 Cb 0.00 -0.09 -0.04 0.00 -0.52 0.00 0.00 37.83 37.18 3h5a s LYS 321 CO 0.00 -0.14 0.12 0.50 -0.92 0.00 0.00 175.35 174.91 3h5a s ARG 322 N 1.03 3.93 -0.15 1.68 3.52 -0.78 -2.74 118.95 125.43 3h5a s ARG 322 Ca -0.08 -0.35 0.01 0.00 -0.13 0.00 0.00 55.73 55.19 3h5a s ARG 322 Cb -0.09 -3.42 0.00 0.00 -1.56 0.00 0.00 34.95 29.88 3h5a s ARG 322 CO -0.06 0.02 -0.17 0.42 -0.81 0.00 0.00 175.30 174.69 3h5a s ILE 323 N 1.13 2.51 -0.16 4.11 1.01 0.04 -0.11 121.20 129.72 3h5a s ILE 323 Ca 0.06 -0.83 -0.02 0.00 0.00 0.00 0.00 60.65 59.86 3h5a s ILE 323 Cb -0.14 -2.04 -0.02 0.00 0.01 0.00 0.00 42.46 40.27 3h5a s ILE 323 CO 0.04 0.53 -0.08 -0.83 0.00 0.00 0.00 174.94 174.60 3h5a s GLY 324 N 0.77 1.60 -0.26 6.18 0.00 -0.09 -1.47 107.32 114.06 3h5a s GLY 324 Ca -0.07 -0.96 -0.06 0.00 0.00 0.00 0.00 44.72 43.63 3h5a s GLY 324 CO 0.00 0.04 0.05 -0.42 0.00 0.00 0.00 173.10 172.77 3h5a s ILE 325 N 0.72 4.01 0.41 0.90 -1.09 0.45 -1.36 121.20 125.23 3h5a s ILE 325 Ca -0.04 -0.42 -0.23 0.00 -2.23 0.00 0.00 60.65 57.73 3h5a s ILE 325 Cb -0.15 -2.94 -0.09 0.00 -1.58 0.00 0.00 42.46 37.70 3h5a s ILE 325 CO 0.02 0.26 1.03 0.26 -1.23 0.00 0.00 174.94 175.28 3h5a s TRP 326 N 1.55 3.28 -0.08 3.97 0.51 -0.55 -1.32 118.94 126.29 3h5a s TRP 326 Ca 0.05 1.64 0.15 0.00 -2.12 0.00 0.00 56.10 55.83 3h5a s TRP 326 Cb -0.16 -3.07 -0.23 0.00 -0.81 0.00 0.00 33.47 29.20 3h5a s TRP 326 CO 0.02 -0.53 0.22 -1.13 -0.51 0.00 0.00 176.95 175.02 3h5a n SER 327 N -0.18 1.22 -1.34 2.95 3.41 -1.21 -4.45 113.62 114.01 3h5a n SER 327 Ca 0.05 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.73 3h5a n SER 327 Cb 0.50 1.34 0.27 0.00 -0.26 0.00 0.00 64.21 66.07 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 -2.31 3.91 -3.59 4.04 3.85 -1.26 -4.93 116.55 116.27 3h5a n ASP 328 Ca -0.13 -2.46 -0.05 0.00 -0.71 0.00 0.00 54.79 51.44 3h5a n ASP 328 Cb 0.70 -0.55 -0.02 0.00 -1.35 0.00 0.00 41.12 39.91 3h5a n ASP 328 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.20 174.36 3h5a s GLU 329 N -1.95 0.64 -0.68 0.11 -1.05 -1.26 -5.08 118.70 109.42 3h5a s GLU 329 Ca 0.38 -0.28 -0.27 0.00 -0.15 0.00 0.00 54.97 54.65 3h5a s GLU 329 Cb 0.26 0.27 0.02 0.00 -0.44 0.00 0.00 34.13 34.24 3h5a s GLU 329 CO 0.15 -0.29 1.36 0.96 0.95 0.00 0.00 175.26 178.40 3h5a s ILE 330 N -2.81 3.72 -0.30 1.83 -4.36 -1.26 -4.49 121.20 113.53 3h5a s ILE 330 Ca 0.09 0.48 -0.11 0.00 -0.26 0.00 0.00 60.65 60.85 3h5a s ILE 330 Cb -0.00 -4.71 0.13 0.00 1.25 0.00 0.00 42.46 39.12 3h5a s ILE 330 CO -0.05 -1.59 0.67 -0.75 0.24 0.00 0.00 174.94 173.46 3h5a s LYS 331 N 5.77 0.58 -0.15 0.37 2.20 -1.26 -5.05 119.74 122.20 3h5a s LYS 331 Ca 0.42 1.40 0.00 0.00 -0.36 0.00 0.00 55.97 57.43 3h5a s LYS 331 Cb -0.09 0.77 0.02 0.00 -1.51 0.00 0.00 37.83 37.03 3h5a s LYS 331 CO 0.18 -0.19 -0.14 0.42 -0.36 0.00 0.00 175.35 175.27 3h5a s ILE 332 N 2.72 1.57 0.03 5.43 1.01 -1.26 -1.48 121.20 129.22 3h5a s ILE 332 Ca -0.06 -0.67 0.02 0.00 0.00 0.00 0.00 60.65 59.94 3h5a s ILE 332 Cb -0.11 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 3h5a s ILE 332 CO -0.19 0.42 0.05 -1.00 0.00 0.00 0.00 174.94 174.22 3h5a s HIS 333 N 1.48 3.16 -0.12 3.97 3.76 -0.46 -4.96 115.29 122.12 3h5a s HIS 333 Ca 0.04 0.10 0.01 0.00 -0.15 0.00 0.00 55.06 55.07 3h5a s HIS 333 Cb -0.13 -1.66 0.02 0.00 1.11 0.00 0.00 32.58 31.92 3h5a s HIS 333 CO -0.10 0.51 -0.13 0.45 -0.85 0.00 0.00 174.74 174.61 3h5a s SER 334 N -1.94 2.40 -0.12 1.40 0.15 -1.26 -0.91 113.70 113.42 3h5a s SER 334 Ca 0.24 -0.41 -0.16 0.00 0.70 0.00 0.00 55.95 56.32 3h5a s SER 334 Cb -0.12 -1.04 -0.05 0.00 -1.71 0.00 0.00 66.02 63.10 3h5a s SER 334 CO 0.16 -0.03 0.41 -1.58 1.20 0.00 0.00 173.24 173.40 3h5a s GLN 335 N 1.23 4.25 0.00 5.44 2.00 0.84 -4.95 119.66 128.47 3h5a s GLN 335 Ca -0.02 0.33 -0.30 0.00 -2.00 0.00 0.00 55.36 53.37 3h5a s GLN 335 Cb -0.14 -3.40 -0.04 0.00 0.80 0.00 0.00 33.01 30.22 3h5a s GLN 335 CO -0.05 0.26 1.19 1.21 -0.50 0.00 0.00 175.29 177.40 3h5a s ASN 336 N 0.34 7.07 -0.26 6.67 3.84 -1.26 -1.87 114.94 129.47 3h5a s ASN 336 Ca 0.23 1.91 0.19 0.00 0.21 0.00 0.00 52.86 55.39 3h5a s ASN 336 Cb -0.15 -2.57 0.49 0.00 -0.55 0.00 0.00 41.25 38.48 3h5a s ASN 336 CO 0.09 -0.52 1.13 0.23 -2.79 0.00 0.00 177.10 175.24 3h5a n MET 337 N 4.57 2.17 -1.41 0.43 2.81 0.53 -4.71 117.12 121.50 3h5a n MET 337 Ca 0.10 -3.64 -0.33 0.00 -1.81 0.00 0.00 57.70 52.02 3h5a n MET 337 Cb 0.46 -1.74 0.09 0.00 -0.71 0.00 0.00 33.22 31.32 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 -3.71 2.14 0.22 3.03 0.00 -1.23 -3.97 107.32 103.80 3h5a s GLY 338 Ca 0.33 0.69 -0.32 0.00 0.00 0.00 0.00 44.72 45.43 3h5a s GLY 338 CO -0.02 1.08 1.53 -2.13 0.00 0.00 0.00 173.10 173.55 3h5a n ARG 339 N -2.92 2.28 -4.21 2.90 3.00 -1.26 -4.38 116.66 112.07 3h5a n ARG 339 Ca 0.12 0.82 -0.34 0.00 -0.00 0.00 0.00 57.85 58.45 3h5a n ARG 339 Cb 0.51 -2.55 -0.15 0.00 0.00 0.00 0.00 32.46 30.27 3h5a n ARG 339 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3h5a s SER 340 N 0.60 3.78 0.54 6.15 0.15 -1.26 -4.93 113.70 118.73 3h5a s SER 340 Ca 0.71 -0.48 0.35 0.00 0.70 0.00 0.00 55.95 57.23 3h5a s SER 340 Cb -0.61 -1.61 1.88 0.00 -1.71 0.00 0.00 66.02 63.97 3h5a s SER 340 CO 0.44 0.03 2.06 -0.65 1.20 0.00 0.00 173.24 176.32 3h5a h PRO 341 N 7.72 0.00 -0.47 5.44 0.11 -1.94 -2.67 132.00 140.19 3h5a h PRO 341 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3h5a h PRO 341 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3h5a h PRO 341 CO 0.60 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 178.67 3h5a n VAL 342 N -2.74 0.99 -1.73 3.15 0.31 -1.26 -3.72 118.33 113.31 3h5a n VAL 342 Ca -0.02 -0.99 -0.42 0.00 -0.01 0.00 0.00 64.34 62.89 3h5a n VAL 342 Cb 0.09 0.51 -0.01 0.00 -0.91 0.00 0.00 33.84 33.53 3h5a n VAL 342 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h5a n SER 344 N 0.89 0.02 -0.06 0.00 3.41 -1.26 -4.05 113.62 112.56 3h5a n SER 344 Ca 0.04 -0.77 -0.13 0.00 -0.26 0.00 0.00 58.87 57.74 3h5a n SER 344 Cb 0.37 -0.08 -0.04 0.00 -0.26 0.00 0.00 64.21 64.20 3h5a n SER 344 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3h5a n VAL 345 N -1.07 0.95 -3.74 -3.33 0.31 -1.26 -5.06 118.33 105.13 3h5a n VAL 345 Ca 0.21 -0.10 -0.22 0.00 -0.01 0.00 0.00 64.34 64.22 3h5a n VAL 345 Cb 0.15 -1.77 -0.04 0.00 -0.91 0.00 0.00 33.84 31.27 3h5a n VAL 345 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h5a n GLY 347 N -1.50 -3.30 3.41 0.00 0.00 -1.26 -3.96 105.19 98.58 3h5a n GLY 347 Ca 0.02 -0.23 -0.44 0.00 0.00 0.00 0.00 46.02 45.37 3h5a n GLY 347 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3h5a s ASN 348 N -1.37 6.19 -0.27 1.61 0.01 -1.26 -4.49 114.94 115.36 3h5a s ASN 348 Ca 0.00 -1.15 -0.29 0.00 -0.71 0.00 0.00 52.86 50.71 3h5a s ASN 348 Cb 0.00 -2.24 0.18 0.00 0.41 0.00 0.00 41.25 39.60 3h5a s ASN 348 CO 0.00 -0.79 1.30 -0.13 -1.51 0.00 0.00 177.10 175.97 3h5a s ARG 349 N 2.14 0.16 0.17 -0.60 0.52 -1.24 -5.04 118.95 115.06 3h5a s ARG 349 Ca 0.09 0.06 0.09 0.00 -0.52 0.00 0.00 55.73 55.45 3h5a s ARG 349 Cb -0.22 0.08 -0.04 0.00 0.52 0.00 0.00 34.95 35.28 3h5a s ARG 349 CO 0.09 -0.05 -0.11 0.00 0.02 0.00 0.00 175.30 175.25 3h5a s MET 350 N -0.87 2.00 -0.15 3.54 0.00 -1.26 -4.33 119.30 118.23 3h5a s MET 350 Ca 0.07 -1.24 -0.14 0.00 0.00 0.00 0.00 55.69 54.37 3h5a s MET 350 Cb -0.01 -2.15 -0.05 0.00 0.00 0.00 0.00 34.83 32.62 3h5a s MET 350 CO -0.07 0.45 0.31 -0.51 0.00 0.00 0.00 175.02 175.19 3h5a s LEU 351 N -2.67 4.25 0.01 0.18 1.43 -1.26 -5.00 118.68 115.62 3h5a s LEU 351 Ca 0.23 0.54 -0.02 0.00 -1.03 0.00 0.00 54.13 53.85 3h5a s LEU 351 Cb -0.09 -2.40 -0.01 0.00 0.03 0.00 0.00 46.19 43.72 3h5a s LEU 351 CO 0.14 0.10 0.03 -1.61 0.23 0.00 0.00 176.35 175.24 3h5a s GLU 352 N 0.44 0.29 0.48 1.70 2.02 -1.26 -5.16 118.70 117.21 3h5a s GLU 352 Ca 0.17 -0.39 -0.19 0.00 0.02 0.00 0.00 54.97 54.58 3h5a s GLU 352 Cb -0.13 0.11 -0.09 0.00 0.10 0.00 0.00 34.13 34.12 3h5a s GLU 352 CO 0.05 -0.05 0.99 -1.01 0.02 0.00 0.00 175.26 175.25 3h5a s HIS 353 N -1.08 3.26 0.37 1.61 3.76 -1.26 -5.03 115.29 116.92 3h5a s HIS 353 Ca -0.12 1.55 -0.28 0.00 -0.15 0.00 0.00 55.06 56.06 3h5a s HIS 353 Cb -0.07 -2.89 -0.11 0.00 1.11 0.00 0.00 32.58 30.62 3h5a s HIS 353 CO -0.00 -0.43 1.48 -1.01 -0.85 0.00 0.00 174.74 173.93 3h5a s HIS 354 N -2.29 2.63 -0.35 1.40 0.09 -1.26 -5.00 115.29 110.51 3h5a s HIS 354 Ca 0.62 1.16 -0.08 0.00 -0.00 0.00 0.00 55.06 56.77 3h5a s HIS 354 Cb -0.11 -4.00 0.04 0.00 -0.00 0.00 0.00 32.58 28.50 3h5a s HIS 354 CO 0.22 -2.95 0.14 -1.58 -0.00 0.00 0.00 174.74 170.56 3h5a s HIS 355 N -1.03 3.26 -0.28 1.40 5.04 -1.26 -5.07 115.29 117.35 3h5a s HIS 355 Ca 0.53 -1.34 -0.20 0.00 -1.54 0.00 0.00 55.06 52.51 3h5a s HIS 355 Cb -0.46 -2.36 -0.02 0.00 0.04 0.00 0.00 32.58 29.79 3h5a s HIS 355 CO 0.61 -0.72 0.62 -1.01 -2.34 0.00 0.00 174.74 171.90 3h5a s HIS 356 N 1.43 3.25 0.03 3.88 3.76 -1.26 -4.98 115.29 121.41 3h5a s HIS 356 Ca -0.01 0.70 -0.19 0.00 -0.15 0.00 0.00 55.06 55.41 3h5a s HIS 356 Cb -0.20 -2.89 -0.17 0.00 1.11 0.00 0.00 32.58 30.43 3h5a s HIS 356 CO 0.04 -0.39 1.24 1.25 -0.85 0.00 0.00 174.74 176.03 3h5a h HIS 357 N 8.03 0.55 0.00 1.40 2.76 -2.06 -3.57 115.15 122.27 3h5a h HIS 357 Ca -0.27 -0.23 0.00 0.00 -2.20 0.00 0.00 60.37 57.67 3h5a h HIS 357 Cb 1.12 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.99 3h5a h HIS 357 CO 0.76 0.96 0.00 0.72 -1.30 0.00 0.00 177.93 179.07