#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 7.39 0.26 6.12 1.01 -1.26 -4.10 116.67 126.08 3h5a s ASP 2 Ca 0.00 1.82 0.07 0.00 0.71 0.00 0.00 52.55 55.15 3h5a s ASP 2 Cb 0.00 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 3h5a s ASP 2 CO 0.00 -0.18 0.17 -0.31 0.21 0.00 0.00 175.17 175.07 3h5a s TYR 3 N 0.34 3.06 -0.04 4.23 1.51 0.11 0.74 117.35 127.29 3h5a s TYR 3 Ca 0.50 -0.13 -0.12 0.00 -1.01 0.00 0.00 57.07 56.31 3h5a s TYR 3 Cb -0.24 -1.38 0.02 0.00 -0.11 0.00 0.00 41.96 40.24 3h5a s TYR 3 CO 0.30 0.53 0.27 -1.50 -1.11 0.00 0.00 175.55 174.04 3h5a s ILE 4 N -2.16 0.04 0.07 2.71 2.07 0.74 -1.92 121.20 122.76 3h5a s ILE 4 Ca 0.33 -0.36 -0.30 0.00 -1.41 0.00 0.00 60.65 58.90 3h5a s ILE 4 Cb -0.08 -0.51 -0.05 0.00 0.13 0.00 0.00 42.46 41.95 3h5a s ILE 4 CO 0.24 -0.20 1.11 -0.22 -1.91 0.00 0.00 174.94 173.96 3h5a s LEU 5 N -0.86 4.40 0.33 8.50 2.96 -0.17 -0.77 118.68 133.07 3h5a s LEU 5 Ca -0.09 1.93 -0.28 0.00 -0.22 0.00 0.00 54.13 55.47 3h5a s LEU 5 Cb -0.05 -3.58 -0.09 0.00 0.50 0.00 0.00 46.19 42.97 3h5a s LEU 5 CO 0.02 -0.34 1.17 -0.83 -1.32 0.00 0.00 176.35 175.05 3h5a s GLY 6 N 0.73 2.98 0.00 7.98 0.00 0.92 -4.91 107.32 115.01 3h5a s GLY 6 Ca 0.54 0.99 0.21 0.00 0.00 0.00 0.00 44.72 46.47 3h5a s GLY 6 CO 0.30 1.57 1.68 0.54 0.00 0.00 0.00 173.10 177.19 3h5a n ARG 7 N 0.70 0.49 -0.32 2.90 1.74 -1.26 -2.53 116.66 118.39 3h5a n ARG 7 Ca 0.01 0.04 0.10 0.00 -0.77 0.00 0.00 57.85 57.23 3h5a n ARG 7 Cb 0.45 -1.50 0.27 0.00 -1.02 0.00 0.00 32.46 30.65 3h5a n ARG 7 CO 0.00 0.00 0.00 2.48 -1.52 0.00 0.00 177.63 178.59 3h5a n TYR 8 N -1.14 0.83 -3.22 -1.55 4.11 -1.26 -4.90 117.16 110.03 3h5a n TYR 8 Ca 0.13 -0.41 -0.39 0.00 -0.00 0.00 0.00 57.90 57.23 3h5a n TYR 8 Cb 0.12 -0.01 -0.06 0.00 -0.00 0.00 0.00 39.34 39.39 3h5a n TYR 8 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 3h5a s VAL 9 N -1.23 5.10 0.15 -3.48 1.01 -1.05 -4.77 120.40 116.12 3h5a s VAL 9 Ca 0.40 1.04 0.09 0.00 0.00 0.00 0.00 61.98 63.51 3h5a s VAL 9 Cb 0.21 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 3h5a s VAL 9 CO 0.27 0.20 -0.20 -0.54 0.00 0.00 0.00 175.10 174.83 3h5a s LYS 10 N 1.44 1.25 -0.01 2.72 1.02 -1.25 -4.92 119.74 120.00 3h5a s LYS 10 Ca 0.26 -1.34 0.01 0.00 0.02 0.00 0.00 55.97 54.93 3h5a s LYS 10 Cb -0.16 -1.42 0.00 0.00 -0.52 0.00 0.00 37.83 35.74 3h5a s LYS 10 CO 0.10 0.31 -0.04 0.42 -0.92 0.00 0.00 175.35 175.22 3h5a s ILE 11 N -1.69 0.31 -0.11 2.17 1.01 -1.26 -0.40 121.20 121.22 3h5a s ILE 11 Ca 0.13 -0.15 -0.09 0.00 0.00 0.00 0.00 60.65 60.54 3h5a s ILE 11 Cb -0.07 -0.28 0.03 0.00 0.01 0.00 0.00 42.46 42.15 3h5a s ILE 11 CO 0.06 0.10 0.29 0.00 0.00 0.00 0.00 174.94 175.39 3h5a s ALA 12 N 0.03 -0.72 0.11 9.38 0.00 -1.07 -5.01 121.76 124.48 3h5a s ALA 12 Ca 0.00 0.90 -0.31 0.00 0.00 0.00 0.00 51.96 52.55 3h5a s ALA 12 Cb -0.03 -0.53 -0.07 0.00 0.00 0.00 0.00 23.12 22.48 3h5a s ALA 12 CO -0.00 -0.16 1.33 0.50 0.00 0.00 0.00 175.76 177.43 3h5a s ARG 13 N 0.41 4.36 -0.22 0.00 3.00 -1.26 -0.62 118.95 124.62 3h5a s ARG 13 Ca -0.02 1.99 -0.12 0.00 -1.00 0.00 0.00 55.73 56.59 3h5a s ARG 13 Cb -0.04 -3.27 0.07 0.00 0.00 0.00 0.00 34.95 31.72 3h5a s ARG 13 CO -0.02 -0.37 0.53 -0.47 0.00 0.00 0.00 175.30 174.97 3h5a s TYR 14 N 1.00 -0.84 0.00 5.12 5.04 -0.01 -4.86 117.35 122.81 3h5a s TYR 14 Ca 0.62 1.68 0.00 0.00 -2.44 0.00 0.00 57.07 56.94 3h5a s TYR 14 Cb -0.35 0.44 0.00 0.00 0.35 0.00 0.00 41.96 42.40 3h5a s TYR 14 CO 0.31 -0.44 0.00 0.41 -1.34 0.00 0.00 175.55 174.48 3h5a n GLY 15 N 4.46 2.06 0.07 8.97 0.00 -1.26 -1.74 105.19 117.75 3h5a n GLY 15 Ca -0.20 -0.56 0.08 0.00 0.00 0.00 0.00 46.02 45.34 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 2.23 0.32 0.00 1.61 3.41 -1.26 -4.81 113.62 115.12 3h5a n SER 16 Ca 0.00 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 3h5a n SER 16 Cb 0.00 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.29 3h5a n SER 16 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h5a n GLY 17 N -0.62 1.23 3.52 5.00 0.00 -0.71 -3.18 105.19 110.43 3h5a n GLY 17 Ca 0.01 0.22 -0.00 0.00 0.00 0.00 0.00 46.02 46.25 3h5a n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h5a n GLY 18 N 0.00 0.47 3.80 -0.02 0.00 -0.94 -0.83 105.19 107.68 3h5a n GLY 18 Ca 0.00 -1.08 -0.32 0.00 0.00 0.00 0.00 46.02 44.62 3h5a n GLY 18 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h5a s LEU 19 N 0.00 3.95 -0.07 0.99 1.43 0.21 -0.65 118.68 124.53 3h5a s LEU 19 Ca 0.24 0.13 -0.00 0.00 -1.03 0.00 0.00 54.13 53.46 3h5a s LEU 19 Cb -0.02 -2.42 0.03 0.00 0.03 0.00 0.00 46.19 43.81 3h5a s LEU 19 CO 0.02 0.23 -0.03 -0.69 0.23 0.00 0.00 176.35 176.12 3h5a s VAL 20 N -1.29 0.60 0.00 -1.59 1.01 0.18 -2.61 120.40 116.70 3h5a s VAL 20 Ca 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.19 3h5a s VAL 20 Cb -0.12 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.58 3h5a s VAL 20 CO 0.18 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.17 3h5a n GLY 21 N 4.79 2.79 0.98 4.51 0.00 0.46 -0.93 105.19 117.80 3h5a n GLY 21 Ca -0.13 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.07 3h5a n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h5a n GLY 22 N 0.00 -4.21 0.56 -0.02 0.00 -1.26 -3.75 105.19 96.50 3h5a n GLY 22 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 3h5a n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h5a n GLY 23 N -0.05 -1.83 0.49 -0.02 0.00 -1.26 -4.34 105.19 98.19 3h5a n GLY 23 Ca 0.00 -1.97 0.32 0.00 0.00 0.00 0.00 46.02 44.36 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 0.48 -2.86 -0.02 0.00 -2.04 -2.07 103.07 96.56 3h5a h GLY 24 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 3h5a h GLY 24 CO 0.00 -0.07 0.00 1.17 0.00 0.00 0.00 176.54 177.64 3h5a n LYS 25 N -4.35 4.20 -2.07 4.80 0.00 -1.26 -5.03 118.16 114.45 3h5a n LYS 25 Ca 0.26 -3.05 -0.37 0.00 0.00 0.00 0.00 58.31 55.15 3h5a n LYS 25 Cb 1.15 -2.12 0.02 0.00 0.00 0.00 0.00 35.03 34.08 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 -2.78 3.36 -0.01 1.64 2.12 -0.78 -4.61 118.70 117.65 3h5a s GLU 26 Ca 0.50 1.89 0.01 0.00 0.36 0.00 0.00 54.97 57.73 3h5a s GLU 26 Cb 0.39 -2.21 0.00 0.00 0.26 0.00 0.00 34.13 32.57 3h5a s GLU 26 CO 0.14 -0.91 -0.02 -0.65 -0.54 0.00 0.00 175.26 173.28 3h5a s GLN 27 N -2.97 0.17 -0.21 4.30 -1.52 -0.11 -4.89 119.66 114.44 3h5a s GLN 27 Ca 0.70 -0.04 -0.09 0.00 -1.95 0.00 0.00 55.36 53.98 3h5a s GLN 27 Cb -0.32 -0.20 -0.04 0.00 -0.22 0.00 0.00 33.01 32.23 3h5a s GLN 27 CO 0.37 0.01 0.10 -0.47 -0.25 0.00 0.00 175.29 175.05 3h5a s TYR 28 N 0.13 3.25 -0.32 0.91 5.04 -1.26 -0.64 117.35 124.46 3h5a s TYR 28 Ca -0.01 0.06 -0.07 0.00 -2.44 0.00 0.00 57.07 54.61 3h5a s TYR 28 Cb -0.03 -2.17 0.02 0.00 0.35 0.00 0.00 41.96 40.13 3h5a s TYR 28 CO -0.00 0.05 0.11 0.08 -1.34 0.00 0.00 175.55 174.44 3h5a s VAL 29 N 0.79 3.97 0.14 3.14 1.01 0.17 -5.00 120.40 124.63 3h5a s VAL 29 Ca 0.05 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.11 3h5a s VAL 29 Cb -0.13 -3.15 -0.17 0.00 0.00 0.00 0.00 36.38 32.93 3h5a s VAL 29 CO 0.02 -0.07 1.34 -0.33 0.00 0.00 0.00 175.10 176.06 3h5a h GLU 30 N 8.25 0.36 -6.49 2.72 5.08 -1.92 -2.49 114.58 120.10 3h5a h GLU 30 Ca -0.27 -0.38 -0.57 0.00 -1.00 0.00 0.00 59.36 57.14 3h5a h GLU 30 Cb 1.11 0.10 -0.08 0.00 0.50 0.00 0.00 28.75 30.38 3h5a h GLU 30 CO 0.61 1.06 0.84 1.21 -1.00 0.00 0.00 179.01 181.72 3h5a s ASN 31 N -7.03 6.53 0.27 1.42 3.84 -1.26 -3.40 114.94 115.31 3h5a s ASN 31 Ca -0.05 0.23 -0.02 0.00 0.21 0.00 0.00 52.86 53.22 3h5a s ASN 31 Cb 0.09 -2.52 0.58 0.00 -0.55 0.00 0.00 41.25 38.85 3h5a s ASN 31 CO 0.85 -1.27 1.63 0.25 -2.79 0.00 0.00 177.10 175.78 3h5a h LEU 32 N 11.25 -0.21 -0.87 3.21 5.85 -1.79 -1.56 115.31 131.19 3h5a h LEU 32 Ca -0.24 0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 3h5a h LEU 32 Cb 1.06 0.33 -0.04 0.00 0.37 0.00 0.00 40.66 42.38 3h5a h LEU 32 CO 1.12 -0.18 0.44 -0.37 -0.34 0.00 0.00 178.44 179.10 3h5a h VAL 33 N 0.14 1.26 -0.34 1.05 -1.51 -1.91 -0.58 116.25 114.36 3h5a h VAL 33 Ca 0.49 -0.70 -0.17 0.00 -1.23 0.00 0.00 66.70 65.08 3h5a h VAL 33 Cb 0.93 0.13 -0.00 0.00 -2.13 0.00 0.00 31.29 30.22 3h5a h VAL 33 CO -0.69 0.31 -0.46 0.25 -1.23 0.00 0.00 177.57 175.75 3h5a h LEU 34 N 1.23 0.99 0.32 4.19 5.85 -1.73 -0.03 115.31 126.13 3h5a h LEU 34 Ca 0.30 -0.49 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 3h5a h LEU 34 Cb 0.09 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 3h5a h LEU 34 CO -0.04 1.29 -0.28 -0.25 -0.34 0.00 0.00 178.44 178.82 3h5a h TRP 35 N 0.72 -0.74 -0.72 1.25 7.01 -1.04 0.32 115.95 122.75 3h5a h TRP 35 Ca 0.04 0.00 0.14 0.00 2.11 0.00 0.00 58.89 61.18 3h5a h TRP 35 Cb 1.06 0.28 -0.10 0.00 -2.10 0.00 0.00 29.16 28.31 3h5a h TRP 35 CO 0.07 -0.41 0.25 0.93 -2.79 0.00 0.00 178.44 176.49 3h5a h GLU 36 N -0.61 0.37 -0.59 2.65 5.08 -1.08 -0.78 114.58 119.62 3h5a h GLU 36 Ca -0.02 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 3h5a h GLU 36 Cb 0.55 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 3h5a h GLU 36 CO -0.03 0.24 0.13 -0.91 -1.00 0.00 0.00 179.01 177.45 3h5a h ASN 37 N 0.38 0.87 -0.25 1.42 4.21 -0.38 -1.28 115.58 120.55 3h5a h ASN 37 Ca 0.40 -0.17 -0.01 0.00 1.21 0.00 0.00 56.30 57.73 3h5a h ASN 37 Cb 0.62 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 37.57 3h5a h ASN 37 CO -0.42 0.86 0.12 0.40 -1.29 0.00 0.00 177.43 177.10 3h5a h ILE 38 N 0.89 1.15 -0.55 2.81 2.04 0.10 -1.86 117.51 122.09 3h5a h ILE 38 Ca 0.19 -0.42 -0.10 0.00 1.00 0.00 0.00 64.86 65.53 3h5a h ILE 38 Cb 0.33 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 3h5a h ILE 38 CO 0.00 0.15 -0.04 0.16 0.00 0.00 0.00 178.15 178.41 3h5a h ILE 39 N 0.28 1.26 -0.87 -0.67 3.07 -1.28 0.32 117.51 119.62 3h5a h ILE 39 Ca 0.09 -1.17 0.13 0.00 1.55 0.00 0.00 64.86 65.45 3h5a h ILE 39 Cb 0.12 0.88 -0.09 0.00 -0.27 0.00 0.00 36.82 37.47 3h5a h ILE 39 CO -0.01 0.42 0.49 0.11 -1.05 0.00 0.00 178.15 178.11 3h5a h LYS 40 N 0.89 0.72 0.23 0.16 1.57 -1.02 -0.82 116.57 118.30 3h5a h LYS 40 Ca 0.15 -0.04 -0.33 0.00 -1.87 0.00 0.00 60.65 58.56 3h5a h LYS 40 Cb 0.58 -0.16 0.03 0.00 0.08 0.00 0.00 32.23 32.76 3h5a h LYS 40 CO 0.04 0.48 -1.47 0.00 -0.57 0.00 0.00 179.45 177.92 3h5a h THR 41 N 0.74 1.29 -0.77 -0.16 1.03 -0.94 -3.19 112.91 110.91 3h5a h THR 41 Ca 0.45 -2.75 0.21 0.00 -0.01 0.00 0.00 66.41 64.32 3h5a h THR 41 Cb 0.55 3.01 -0.03 0.00 -1.07 0.00 0.00 68.15 70.60 3h5a h THR 41 CO -0.31 0.83 0.55 0.00 -0.01 0.00 0.00 175.52 176.57 3h5a h ALA 42 N 0.22 2.65 -0.05 0.00 0.00 0.04 -1.32 119.26 120.79 3h5a h ALA 42 Ca -0.25 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 3h5a h ALA 42 Cb 2.14 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.96 3h5a h ALA 42 CO 0.26 -0.87 -0.48 -0.92 0.00 0.00 0.00 179.25 177.24 3h5a h TYR 43 N 0.05 0.16 0.00 0.00 3.20 -1.14 -1.98 116.97 117.26 3h5a h TYR 43 Ca 0.37 -0.05 -0.00 0.00 3.14 0.00 0.00 58.73 62.19 3h5a h TYR 43 Cb 1.39 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 39.63 3h5a h TYR 43 CO -0.00 0.60 -0.01 0.00 -1.64 0.00 0.00 178.16 177.11 3h5a n PHE 45 N -3.75 0.37 -0.27 0.00 3.01 -0.75 -4.29 117.46 111.79 3h5a n PHE 45 Ca -0.03 -0.22 -0.01 0.00 1.01 0.00 0.00 57.45 58.20 3h5a n PHE 45 Cb 0.09 -0.00 0.11 0.00 -0.01 0.00 0.00 39.48 39.67 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 3.87 1.05 -2.82 4.37 2.04 -1.60 -0.44 117.51 123.98 3h5a h ILE 46 Ca 0.00 -0.30 -0.64 0.00 1.00 0.00 0.00 64.86 64.92 3h5a h ILE 46 Cb 0.88 0.09 -0.06 0.00 -0.74 0.00 0.00 36.82 37.00 3h5a h ILE 46 CO 0.00 0.16 -0.40 0.42 0.00 0.00 0.00 178.15 178.33 3h5a s THR 47 N -6.09 5.34 0.47 -0.27 -4.23 -1.26 -4.65 115.64 104.95 3h5a s THR 47 Ca -0.13 0.25 -0.23 0.00 -1.18 0.00 0.00 61.69 60.41 3h5a s THR 47 Cb 0.17 -3.53 -0.09 0.00 1.34 0.00 0.00 72.50 70.39 3h5a s THR 47 CO 0.78 0.48 1.00 -0.81 -0.54 0.00 0.00 174.62 175.53 3h5a n PRO 48 N 1.49 1.27 -3.60 3.99 -0.04 -1.26 -4.90 135.00 131.94 3h5a n PRO 48 Ca -0.14 0.46 -0.14 0.00 -0.04 0.00 0.00 63.50 63.64 3h5a n PRO 48 Cb 0.53 -2.09 -0.07 0.00 -0.04 0.00 0.00 33.50 31.83 3h5a n PRO 48 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3h5a s SER 49 N -0.86 -0.66 1.04 3.54 0.15 -0.81 -4.94 113.70 111.16 3h5a s SER 49 Ca 0.66 1.14 -0.12 0.00 0.70 0.00 0.00 55.95 58.33 3h5a s SER 49 Cb -0.51 1.11 0.21 0.00 -1.71 0.00 0.00 66.02 65.12 3h5a s SER 49 CO 0.54 -0.32 1.07 -0.94 1.20 0.00 0.00 173.24 174.80 3h5a s SER 50 N -0.07 2.14 0.17 5.45 1.04 -1.26 -0.71 113.70 120.47 3h5a s SER 50 Ca -0.02 1.42 -0.11 0.00 0.48 0.00 0.00 55.95 57.72 3h5a s SER 50 Cb -0.04 -2.11 0.07 0.00 0.10 0.00 0.00 66.02 64.04 3h5a s SER 50 CO 0.02 -3.46 1.69 0.22 0.98 0.00 0.00 173.24 172.69 3h5a h TYR 51 N -2.12 0.98 0.54 5.02 3.20 -1.99 -2.64 116.97 119.97 3h5a h TYR 51 Ca -0.56 -0.11 -0.03 0.00 3.14 0.00 0.00 58.73 61.18 3h5a h TYR 51 Cb 1.32 -0.28 0.01 0.00 1.54 0.00 0.00 36.73 39.32 3h5a h TYR 51 CO 0.31 0.82 -0.26 1.15 -1.64 0.00 0.00 178.16 178.55 3h5a h THR 52 N 0.85 0.46 -0.58 1.81 2.02 -1.95 -1.20 112.91 114.33 3h5a h THR 52 Ca 0.19 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.28 3h5a h THR 52 Cb 0.32 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 3h5a h THR 52 CO -0.00 0.01 0.32 0.00 0.37 0.00 0.00 175.52 176.22 3h5a h ALA 53 N -0.32 1.47 -0.29 6.16 0.00 -1.94 -1.60 119.26 122.74 3h5a h ALA 53 Ca -0.07 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 3h5a h ALA 53 Cb 0.58 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3h5a h ALA 53 CO 0.12 0.44 -0.22 0.00 0.00 0.00 0.00 179.25 179.59 3h5a h ALA 54 N 1.55 1.09 -0.11 0.00 0.00 -1.29 -2.00 119.26 118.50 3h5a h ALA 54 Ca 0.21 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3h5a h ALA 54 Cb 0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3h5a h ALA 54 CO -0.03 0.56 0.06 1.25 0.00 0.00 0.00 179.25 181.08 3h5a h LEU 55 N 0.48 0.13 0.15 0.00 5.85 -0.23 -1.30 115.31 120.39 3h5a h LEU 55 Ca 0.07 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.73 3h5a h LEU 55 Cb 0.64 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 3h5a h LEU 55 CO 0.05 0.18 -0.39 -0.33 -0.34 0.00 0.00 178.44 177.61 3h5a h GLU 56 N 0.08 -0.62 0.03 1.25 5.08 -1.36 -3.24 114.58 115.79 3h5a h GLU 56 Ca 0.04 0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.47 3h5a h GLU 56 Cb 0.08 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 3h5a h GLU 56 CO -0.01 -0.41 -0.23 1.15 -1.00 0.00 0.00 179.01 178.51 3h5a h THR 57 N -0.64 0.47 -3.95 1.13 2.02 -1.22 -3.40 112.91 107.31 3h5a h THR 57 Ca 0.02 0.00 -0.53 0.00 0.77 0.00 0.00 66.41 66.67 3h5a h THR 57 Cb 0.65 0.47 0.08 0.00 -1.74 0.00 0.00 68.15 67.62 3h5a h THR 57 CO -0.21 0.00 0.61 0.00 0.37 0.00 0.00 175.52 176.30 3h5a s ALA 58 N -6.08 3.25 -0.79 6.16 0.00 -0.50 -4.94 121.76 118.86 3h5a s ALA 58 Ca -0.15 1.24 0.02 0.00 0.00 0.00 0.00 51.96 53.07 3h5a s ALA 58 Cb 0.09 -3.49 0.31 0.00 0.00 0.00 0.00 23.12 20.03 3h5a s ALA 58 CO 0.66 -0.84 1.24 0.09 0.00 0.00 0.00 175.76 176.91 3h5a n ASN 59 N 0.09 5.47 -4.10 0.00 5.03 -1.26 -4.86 115.26 115.63 3h5a n ASN 59 Ca 0.04 -3.61 -0.15 0.00 0.87 0.00 0.00 54.58 51.73 3h5a n ASN 59 Cb 0.44 -0.85 -0.12 0.00 -1.02 0.00 0.00 39.78 38.23 3h5a n ASN 59 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 3h5a s ILE 60 N -3.88 0.73 0.59 2.41 -4.36 -1.26 -5.13 121.20 110.30 3h5a s ILE 60 Ca 0.42 -1.16 -0.19 0.00 -0.26 0.00 0.00 60.65 59.46 3h5a s ILE 60 Cb 0.20 -0.77 -0.04 0.00 1.25 0.00 0.00 42.46 43.11 3h5a s ILE 60 CO -0.08 -0.33 1.22 -2.16 0.24 0.00 0.00 174.94 173.82 3h5a s PRO 61 N -1.65 2.98 0.26 0.37 0.04 -1.26 -4.68 135.00 131.05 3h5a s PRO 61 Ca -0.07 1.86 -0.06 0.00 0.04 0.00 0.00 61.00 62.77 3h5a s PRO 61 Cb -0.10 -1.95 0.45 0.00 0.04 0.00 0.00 34.50 32.94 3h5a s PRO 61 CO 0.01 -1.21 1.42 0.39 0.04 0.00 0.00 177.00 177.65 3h5a n GLU 62 N -1.55 -0.08 -0.02 4.56 1.02 -1.26 -1.66 120.64 121.64 3h5a n GLU 62 Ca 0.13 1.41 -0.12 0.00 -0.02 0.00 0.00 57.16 58.56 3h5a n GLU 62 Cb 0.49 -2.12 -0.06 0.00 -0.02 0.00 0.00 31.44 29.73 3h5a n GLU 62 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3h5a h LYS 63 N 0.00 -0.44 -0.51 3.49 3.64 -2.01 -1.40 116.57 119.34 3h5a h LYS 63 Ca 0.45 0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.80 3h5a h LYS 63 Cb 0.72 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.62 3h5a h LYS 63 CO -0.92 -0.30 0.09 -0.44 -2.27 0.00 0.00 179.45 175.61 3h5a h ASP 64 N -0.46 0.81 -0.88 4.20 3.32 -1.67 -2.85 116.42 118.89 3h5a h ASP 64 Ca 0.09 -0.26 0.08 0.00 0.02 0.00 0.00 57.03 56.96 3h5a h ASP 64 Cb 0.62 -0.21 -0.07 0.00 0.22 0.00 0.00 39.33 39.89 3h5a h ASP 64 CO -0.43 0.86 0.54 0.15 -1.72 0.00 0.00 179.24 178.64 3h5a h PHE 65 N 0.72 0.99 -0.71 4.55 3.57 -1.14 -2.36 116.94 122.56 3h5a h PHE 65 Ca 0.16 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 3h5a h PHE 65 Cb 0.39 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 3h5a h PHE 65 CO 0.03 0.47 0.37 1.03 -2.23 0.00 0.00 178.31 177.97 3h5a h SER 66 N 0.95 0.89 -0.09 0.41 0.87 -1.01 -0.35 113.55 115.22 3h5a h SER 66 Ca 0.40 -0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.87 3h5a h SER 66 Cb 0.26 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 3h5a h SER 66 CO -0.20 0.74 -0.00 0.78 -0.53 0.00 0.00 176.83 177.61 3h5a h ASN 67 N 1.00 0.16 -0.46 6.23 4.21 -1.41 -2.66 115.58 122.64 3h5a h ASN 67 Ca 0.25 -0.32 -0.01 0.00 1.21 0.00 0.00 56.30 57.43 3h5a h ASN 67 Cb 0.06 -0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 37.19 3h5a h ASN 67 CO -0.04 0.44 0.25 0.00 -1.29 0.00 0.00 177.43 176.79 3h5a h PHE 69 N 0.61 -1.02 -0.67 0.00 3.57 -1.13 -0.23 116.94 118.08 3h5a h PHE 69 Ca 0.16 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.79 3h5a h PHE 69 Cb 0.06 0.41 -0.08 0.00 2.79 0.00 0.00 35.95 39.13 3h5a h PHE 69 CO -0.02 -0.50 0.24 0.00 -2.23 0.00 0.00 178.31 175.80 3h5a h ARG 70 N -0.70 0.39 -0.67 1.11 3.08 -1.19 0.30 114.38 116.70 3h5a h ARG 70 Ca -0.01 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.09 3h5a h ARG 70 Cb 0.67 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.57 3h5a h ARG 70 CO -0.13 0.26 0.36 0.35 -1.07 0.00 0.00 179.97 179.74 3h5a h PHE 71 N 0.41 0.65 -0.24 3.04 3.57 -0.52 0.44 116.94 124.27 3h5a h PHE 71 Ca 0.35 0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.69 3h5a h PHE 71 Cb 0.48 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.03 3h5a h PHE 71 CO -0.18 0.29 -0.59 -0.07 -2.23 0.00 0.00 178.31 175.52 3h5a h LEU 72 N 0.64 0.90 -0.12 0.59 3.38 0.34 -3.12 115.31 117.92 3h5a h LEU 72 Ca 0.31 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 3h5a h LEU 72 Cb 0.24 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3h5a h LEU 72 CO -0.21 1.29 -0.05 0.50 0.09 0.00 0.00 178.44 180.06 3h5a h LYS 73 N 0.60 0.25 -0.90 1.13 3.64 -0.07 0.45 116.57 121.65 3h5a h LYS 73 Ca 0.00 -0.11 0.09 0.00 -1.27 0.00 0.00 60.65 59.37 3h5a h LYS 73 Cb 1.20 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.94 3h5a h LYS 73 CO 0.13 0.58 0.58 0.93 -2.27 0.00 0.00 179.45 179.40 3h5a h GLU 74 N -0.09 0.89 -0.17 1.90 5.08 -0.20 -1.37 114.58 120.61 3h5a h GLU 74 Ca 0.03 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3h5a h GLU 74 Cb 0.50 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3h5a h GLU 74 CO 0.02 0.59 0.00 0.09 -1.00 0.00 0.00 179.01 178.70 3h5a n ASN 75 N -4.53 2.01 -2.20 1.42 3.02 -1.18 -4.94 115.26 108.86 3h5a n ASN 75 Ca 0.15 -1.74 -0.19 0.00 -0.03 0.00 0.00 54.58 52.78 3h5a n ASN 75 Cb 0.30 -0.11 -0.00 0.00 -0.61 0.00 0.00 39.78 39.36 3h5a n ASN 75 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3h5a n PHE 76 N 0.55 -1.05 0.03 3.10 3.72 -0.52 -4.89 117.46 118.41 3h5a n PHE 76 Ca 0.17 0.10 -0.19 0.00 -0.05 0.00 0.00 57.45 57.47 3h5a n PHE 76 Cb 0.39 -3.70 -0.11 0.00 -0.94 0.00 0.00 39.48 35.12 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 -0.26 0.82 -3.03 1.38 0.05 -1.16 -3.43 116.94 111.31 3h5a h PHE 77 Ca -0.44 -0.46 -0.65 0.00 3.82 0.00 0.00 57.97 60.24 3h5a h PHE 77 Cb 1.32 -0.09 -0.08 0.00 2.00 0.00 0.00 35.95 39.10 3h5a h PHE 77 CO 0.48 1.29 -0.55 0.96 -0.18 0.00 0.00 178.31 180.31 3h5a s ILE 78 N -3.19 4.92 0.04 -0.55 -4.36 -0.99 -0.06 121.20 117.02 3h5a s ILE 78 Ca -0.12 -0.40 -0.04 0.00 -0.26 0.00 0.00 60.65 59.83 3h5a s ILE 78 Cb 0.05 -3.29 -0.02 0.00 1.25 0.00 0.00 42.46 40.45 3h5a s ILE 78 CO 0.87 0.29 0.06 0.27 0.24 0.00 0.00 174.94 176.67 3h5a s ILE 79 N -1.28 0.15 0.26 8.37 -4.36 0.05 -4.47 121.20 119.92 3h5a s ILE 79 Ca 0.26 -1.26 -0.29 0.00 -0.26 0.00 0.00 60.65 59.09 3h5a s ILE 79 Cb -0.12 -1.02 -0.14 0.00 1.25 0.00 0.00 42.46 42.42 3h5a s ILE 79 CO 0.17 -0.70 1.03 -2.65 0.24 0.00 0.00 174.94 173.04 3h5a n PRO 80 N 0.62 1.27 0.20 0.37 -0.02 -1.26 -0.18 135.00 135.99 3h5a n PRO 80 Ca -0.18 0.45 0.13 0.00 -2.02 0.00 0.00 63.50 61.87 3h5a n PRO 80 Cb 0.59 -1.83 0.71 0.00 -0.02 0.00 0.00 33.50 32.94 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 2.30 0.00 1.03 -1.23 0.00 0.05 -2.50 103.07 102.72 3h5a h GLY 81 Ca -0.40 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.00 3h5a h GLY 81 CO 0.63 0.00 0.48 1.05 0.00 0.00 0.00 176.54 178.69 3h5a h GLU 82 N 0.00 0.71 -0.07 4.80 -0.00 -1.89 -2.73 114.58 115.41 3h5a h GLU 82 Ca 0.07 -0.04 0.00 0.00 -0.00 0.00 0.00 59.36 59.38 3h5a h GLU 82 Cb 0.29 -0.16 0.00 0.00 -0.00 0.00 0.00 28.75 28.87 3h5a h GLU 82 CO -0.00 0.47 0.00 0.66 -0.00 0.00 0.00 179.01 180.14 3h5a n TYR 83 N -4.48 0.00 0.00 2.06 4.02 -0.94 -3.98 117.16 113.84 3h5a n TYR 83 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.00 3h5a n TYR 83 Cb 0.24 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.56 3h5a n TYR 83 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3h5a n ASN 84 N -0.40 0.94 0.00 7.72 4.05 -1.03 -4.66 115.26 121.89 3h5a n ASN 84 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 3h5a n ASN 84 Cb 0.02 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.03 3h5a n ASN 84 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 3h5a n ASN 85 N -2.62 0.00 0.00 1.20 0.23 -1.26 -5.17 115.26 107.65 3h5a n ASN 85 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 3h5a n ASN 85 Cb 0.34 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.04 3h5a n ASN 85 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 3h5a n THR 87 N 0.00 0.00 0.00 5.53 -1.04 -1.26 -5.15 114.28 112.35 3h5a n THR 87 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3h5a n THR 87 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3h5a n THR 87 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3h5a n GLU 88 N 0.07 0.00 -3.68 -2.82 1.02 -1.26 -4.78 120.64 109.19 3h5a n GLU 88 Ca 0.00 0.70 -0.30 0.00 -0.02 0.00 0.00 57.16 57.54 3h5a n GLU 88 Cb 0.00 -1.49 -0.14 0.00 -0.02 0.00 0.00 31.44 29.80 3h5a n GLU 88 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3h5a s ASN 89 N -2.42 3.71 -0.23 1.62 0.01 -1.26 -5.12 114.94 111.25 3h5a s ASN 89 Ca 0.00 -2.15 -0.13 0.00 -0.71 0.00 0.00 52.86 49.87 3h5a s ASN 89 Cb 0.00 -0.87 -0.05 0.00 0.41 0.00 0.00 41.25 40.74 3h5a s ASN 89 CO 0.00 -0.33 0.26 0.21 -1.51 0.00 0.00 177.10 175.73 3h5a s ASN 90 N 0.98 6.24 0.41 -1.22 3.84 -1.26 -4.97 114.94 118.97 3h5a s ASN 90 Ca 0.14 0.27 0.08 0.00 0.21 0.00 0.00 52.86 53.57 3h5a s ASN 90 Cb -0.21 -2.16 0.87 0.00 -0.55 0.00 0.00 41.25 39.20 3h5a s ASN 90 CO -0.10 -0.01 2.02 -0.09 -2.79 0.00 0.00 177.10 176.14 3h5a h ARG 91 N 7.52 0.40 -0.15 0.43 2.43 -2.00 -3.00 114.38 120.01 3h5a h ARG 91 Ca -0.37 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 3h5a h ARG 91 Cb 1.17 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 3h5a h ARG 91 CO 0.68 0.33 0.00 0.66 -1.51 0.00 0.00 179.97 180.13 3h5a n TYR 92 N -4.42 0.17 0.21 2.20 4.02 -1.26 -4.60 117.16 113.47 3h5a n TYR 92 Ca 0.01 -0.08 0.08 0.00 -0.01 0.00 0.00 57.90 57.90 3h5a n TYR 92 Cb 0.13 0.00 0.39 0.00 -0.02 0.00 0.00 39.34 39.84 3h5a n TYR 92 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3h5a n SER 93 N 1.03 0.38 -0.00 7.72 3.41 -1.14 -0.80 113.62 124.23 3h5a n SER 93 Ca 0.17 0.65 -0.17 0.00 -0.26 0.00 0.00 58.87 59.26 3h5a n SER 93 Cb 0.52 -0.71 -0.11 0.00 -0.26 0.00 0.00 64.21 63.65 3h5a n SER 93 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3h5a h ARG 94 N 0.00 0.39 -0.19 4.33 3.08 -1.86 -3.22 114.38 116.92 3h5a h ARG 94 Ca 0.00 -0.41 -0.01 0.00 0.07 0.00 0.00 59.98 59.63 3h5a h ARG 94 Cb 0.10 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 3h5a h ARG 94 CO 0.00 1.07 0.06 -0.91 -1.07 0.00 0.00 179.97 179.12 3h5a h ASN 95 N -0.13 0.23 -0.93 7.04 4.21 -1.32 -2.62 115.58 122.06 3h5a h ASN 95 Ca -0.07 -0.02 0.11 0.00 1.21 0.00 0.00 56.30 57.54 3h5a h ASN 95 Cb 1.26 -0.06 -0.07 0.00 -1.12 0.00 0.00 38.32 38.33 3h5a h ASN 95 CO 0.11 0.23 0.59 -0.26 -1.29 0.00 0.00 177.43 176.81 3h5a h PHE 96 N 0.26 0.99 -0.47 1.19 -1.00 -1.46 0.13 116.94 116.58 3h5a h PHE 96 Ca 0.07 0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.83 3h5a h PHE 96 Cb 0.08 -0.32 -0.02 0.00 3.61 0.00 0.00 35.95 39.30 3h5a h PHE 96 CO 0.00 0.43 0.11 -0.07 -1.61 0.00 0.00 178.31 177.17 3h5a h LEU 97 N 0.89 0.72 -0.24 1.54 3.38 -1.51 -0.88 115.31 119.22 3h5a h LEU 97 Ca 0.44 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 58.19 3h5a h LEU 97 Cb 0.47 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3h5a h LEU 97 CO -0.20 0.77 0.11 -0.74 0.09 0.00 0.00 178.44 178.47 3h5a h HIS 98 N 0.64 0.21 -0.75 1.13 2.76 -0.99 0.12 115.15 118.27 3h5a h HIS 98 Ca 0.15 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.30 3h5a h HIS 98 Cb 0.33 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 29.20 3h5a h HIS 98 CO 0.02 0.11 0.37 1.88 -1.30 0.00 0.00 177.93 179.02 3h5a h TYR 99 N 0.24 1.08 -0.34 5.26 0.05 -0.75 -2.80 116.97 119.71 3h5a h TYR 99 Ca 0.10 -0.05 0.02 0.00 0.05 0.00 0.00 58.73 58.86 3h5a h TYR 99 Cb 0.04 -0.34 -0.03 0.00 1.01 0.00 0.00 36.73 37.41 3h5a h TYR 99 CO -0.10 0.78 0.17 1.96 -1.05 0.00 0.00 178.16 179.92 3h5a h GLN 100 N 1.06 0.34 -0.04 4.88 4.20 -0.70 -0.16 115.11 124.69 3h5a h GLN 100 Ca 0.26 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.96 3h5a h GLN 100 Cb 0.10 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 3h5a h GLN 100 CO -0.03 0.23 0.05 0.66 -0.67 0.00 0.00 178.83 179.06 3h5a h SER 101 N 0.35 0.00 0.23 1.46 4.64 -0.75 0.34 113.55 119.83 3h5a h SER 101 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3h5a h SER 101 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3h5a h SER 101 CO -0.10 0.00 -0.11 -1.22 -0.87 0.00 0.00 176.83 174.54 3h5a n TYR 102 N -3.74 0.00 -0.11 4.77 4.02 -0.10 -4.77 117.16 117.23 3h5a n TYR 102 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 3h5a n TYR 102 Cb 0.13 -0.12 0.00 0.00 -0.02 0.00 0.00 39.34 39.33 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 1.24 0.94 4.02 2.72 0.00 0.11 -4.95 105.19 109.28 3h5a n GLY 103 Ca 0.16 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 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 4.49 -0.43 4.61 0.00 -1.02 -5.02 121.76 122.39 3h5a s ALA 104 Ca 0.00 -1.97 -0.11 0.00 0.00 0.00 0.00 51.96 49.88 3h5a s ALA 104 Cb 0.00 -1.60 0.08 0.00 0.00 0.00 0.00 23.12 21.60 3h5a s ALA 104 CO 0.00 -0.85 0.29 1.21 0.00 0.00 0.00 175.76 176.41 3h5a s ASN 105 N -4.61 5.77 0.51 0.00 3.84 -1.26 -4.36 114.94 114.82 3h5a s ASN 105 Ca 0.61 -1.44 0.27 0.00 0.21 0.00 0.00 52.86 52.51 3h5a s ASN 105 Cb -0.07 -2.04 1.37 0.00 -0.55 0.00 0.00 41.25 39.96 3h5a s ASN 105 CO 0.39 -0.56 1.91 1.55 -2.79 0.00 0.00 177.10 177.60 3h5a h PRO 106 N 8.50 0.09 -0.36 0.43 0.13 -1.86 0.26 132.00 139.19 3h5a h PRO 106 Ca -0.24 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.83 3h5a h PRO 106 Cb 1.09 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 3h5a h PRO 106 CO 0.78 0.06 0.05 0.28 -0.23 0.00 0.00 178.00 178.94 3h5a h VAL 107 N 0.10 1.24 -0.40 1.56 2.07 -1.93 -1.24 116.25 117.65 3h5a h VAL 107 Ca 0.39 -0.87 -0.07 0.00 0.82 0.00 0.00 66.70 66.96 3h5a h VAL 107 Cb 1.40 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 3h5a h VAL 107 CO -0.04 0.29 -0.06 -0.07 0.02 0.00 0.00 177.57 177.72 3h5a h LEU 108 N 0.44 0.64 -0.47 2.57 3.38 -1.40 -1.54 115.31 118.93 3h5a h LEU 108 Ca 0.11 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 3h5a h LEU 108 Cb 0.38 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3h5a h LEU 108 CO 0.01 0.74 0.06 0.58 0.09 0.00 0.00 178.44 179.92 3h5a h VAL 109 N 0.61 1.25 -0.27 1.22 2.07 -1.15 -1.31 116.25 118.68 3h5a h VAL 109 Ca 0.12 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 3h5a h VAL 109 Cb 0.47 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3h5a h VAL 109 CO 0.02 0.33 0.12 1.56 0.02 0.00 0.00 177.57 179.62 3h5a h GLN 110 N 0.65 0.39 -0.17 1.57 1.08 -0.89 -1.60 115.11 116.14 3h5a h GLN 110 Ca 0.14 -0.07 0.05 0.00 -1.45 0.00 0.00 58.65 57.32 3h5a h GLN 110 Cb 0.42 -0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 27.73 3h5a h GLN 110 CO 0.01 0.41 -0.20 -0.44 -0.95 0.00 0.00 178.83 177.66 3h5a h ASP 111 N 0.29 -0.62 -0.69 1.46 3.32 -1.24 0.28 116.42 119.22 3h5a h ASP 111 Ca 0.09 0.11 0.08 0.00 0.02 0.00 0.00 57.03 57.33 3h5a h ASP 111 Cb 0.15 0.29 -0.04 0.00 0.22 0.00 0.00 39.33 39.95 3h5a h ASP 111 CO -0.01 -0.24 0.45 0.11 -1.72 0.00 0.00 179.24 177.83 3h5a h LYS 112 N -0.23 0.61 0.06 3.56 1.57 -0.90 -0.16 116.57 121.08 3h5a h LYS 112 Ca 0.11 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3h5a h LYS 112 Cb 0.40 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3h5a h LYS 112 CO -0.31 0.41 -0.03 -0.07 -0.57 0.00 0.00 179.45 178.88 3h5a h LEU 113 N 0.63 -0.07 -1.31 2.94 3.38 -0.26 -3.11 115.31 117.52 3h5a h LEU 113 Ca 0.31 -0.35 0.11 0.00 0.09 0.00 0.00 57.88 58.04 3h5a h LEU 113 Cb 0.38 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 3h5a h LEU 113 CO -0.10 0.33 0.55 0.50 0.09 0.00 0.00 178.44 179.80 3h5a h LYS 114 N -0.49 0.72 -0.66 1.13 3.64 0.33 -2.16 116.57 119.08 3h5a h LYS 114 Ca -0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3h5a h LYS 114 Cb 0.42 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3h5a h LYS 114 CO 0.01 0.47 0.00 0.09 -2.27 0.00 0.00 179.45 177.76 3h5a n ASN 115 N -4.53 4.71 -4.88 4.20 5.03 -0.15 -3.45 115.26 116.19 3h5a n ASN 115 Ca 0.15 -2.71 -0.23 0.00 0.87 0.00 0.00 54.58 52.66 3h5a n ASN 115 Cb 0.37 -0.64 -0.02 0.00 -1.02 0.00 0.00 39.78 38.48 3h5a n ASN 115 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3h5a s ALA 116 N -2.35 4.20 -0.18 5.41 0.00 -0.87 -5.02 121.76 122.95 3h5a s ALA 116 Ca 0.43 -1.67 -0.07 0.00 0.00 0.00 0.00 51.96 50.65 3h5a s ALA 116 Cb 0.33 -0.86 0.08 0.00 0.00 0.00 0.00 23.12 22.68 3h5a s ALA 116 CO 0.13 -0.35 0.39 0.21 0.00 0.00 0.00 175.76 176.14 3h5a s LYS 117 N -4.20 0.29 -0.02 0.00 2.20 -1.26 -2.76 119.74 114.00 3h5a s LYS 117 Ca 0.42 0.98 0.07 0.00 -0.36 0.00 0.00 55.97 57.08 3h5a s LYS 117 Cb -0.02 0.26 -0.02 0.00 -1.51 0.00 0.00 37.83 36.54 3h5a s LYS 117 CO 0.25 -0.25 -0.23 0.08 -0.36 0.00 0.00 175.35 174.84 3h5a s VAL 118 N 2.52 1.82 -0.19 4.02 1.01 0.03 -1.93 120.40 127.68 3h5a s VAL 118 Ca -0.02 -0.99 -0.06 0.00 0.00 0.00 0.00 61.98 60.91 3h5a s VAL 118 Cb -0.12 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 3h5a s VAL 118 CO -0.12 0.51 0.04 -0.69 0.00 0.00 0.00 175.10 174.84 3h5a s VAL 119 N -0.55 4.41 -0.37 2.92 1.01 -1.05 -1.01 120.40 125.76 3h5a s VAL 119 Ca 0.09 -0.16 -0.14 0.00 0.00 0.00 0.00 61.98 61.77 3h5a s VAL 119 Cb -0.09 -3.00 -0.00 0.00 0.00 0.00 0.00 36.38 33.29 3h5a s VAL 119 CO -0.01 0.43 0.28 -0.63 0.00 0.00 0.00 175.10 175.17 3h5a s ILE 120 N 0.73 5.26 -1.05 2.22 -1.09 0.03 -0.82 121.20 126.48 3h5a s ILE 120 Ca 0.02 -0.37 -0.10 0.00 -2.23 0.00 0.00 60.65 57.97 3h5a s ILE 120 Cb -0.14 -3.81 0.27 0.00 -1.58 0.00 0.00 42.46 37.20 3h5a s ILE 120 CO 0.02 -0.14 1.03 -0.22 -1.23 0.00 0.00 174.94 174.40 3h5a s LEU 121 N 1.74 6.43 0.00 2.97 2.96 -0.14 -1.97 118.68 130.66 3h5a s LEU 121 Ca 0.06 -3.41 0.00 0.00 -0.22 0.00 0.00 54.13 50.56 3h5a s LEU 121 Cb -0.18 -2.21 0.00 0.00 0.50 0.00 0.00 46.19 44.31 3h5a s LEU 121 CO 0.10 -0.35 0.00 0.61 -1.32 0.00 0.00 176.35 175.40 3h5a n GLY 122 N 2.96 1.83 2.31 7.98 0.00 -0.73 -3.15 105.19 116.39 3h5a n GLY 122 Ca 0.22 -0.69 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 3h5a n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h5a s GLY 124 N -0.37 3.02 0.00 0.00 0.00 -1.26 -4.35 107.32 104.37 3h5a s GLY 124 Ca 0.50 -3.80 0.00 0.00 0.00 0.00 0.00 44.72 41.42 3h5a s GLY 124 CO -0.13 1.18 0.00 0.61 0.00 0.00 0.00 173.10 174.76 3h5a n GLY 125 N 2.39 1.63 0.21 0.20 0.00 -1.26 -4.47 105.19 103.88 3h5a n GLY 125 Ca 0.20 -0.58 -0.15 0.00 0.00 0.00 0.00 46.02 45.50 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 0.66 -0.32 -0.61 2.04 -1.90 0.81 117.51 118.18 3h5a h ILE 126 Ca 0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 3h5a h ILE 126 Cb 0.00 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 3h5a h ILE 126 CO 0.00 0.00 0.18 1.23 0.00 0.00 0.00 178.15 179.56 3h5a h GLY 127 N -0.43 0.45 -0.95 5.37 0.00 -1.78 0.58 103.07 106.31 3h5a h GLY 127 Ca -0.04 -0.14 0.09 0.00 0.00 0.00 0.00 47.33 47.24 3h5a h GLY 127 CO 0.05 0.12 -0.56 -2.01 0.00 0.00 0.00 176.54 174.15 3h5a n ASN 128 N -4.91 -1.00 -0.24 0.19 2.85 -1.15 -0.98 115.26 110.02 3h5a n ASN 128 Ca -0.00 1.68 -0.08 0.00 -0.11 0.00 0.00 54.58 56.07 3h5a n ASN 128 Cb 0.06 -0.22 0.04 0.00 1.24 0.00 0.00 39.78 40.89 3h5a n ASN 128 CO 0.00 0.00 0.00 -0.74 -2.11 0.00 0.00 177.26 174.41 3h5a h HIS 129 N 0.00 1.14 -0.66 1.20 2.76 -0.09 -2.95 115.15 116.55 3h5a h HIS 129 Ca 0.15 -0.14 -0.05 0.00 -2.20 0.00 0.00 60.37 58.13 3h5a h HIS 129 Cb 0.39 -0.32 -0.03 0.00 1.55 0.00 0.00 27.41 29.00 3h5a h HIS 129 CO -0.97 0.94 0.23 0.28 -1.30 0.00 0.00 177.93 177.11 3h5a h VAL 130 N 1.00 1.24 -0.38 5.26 2.07 -0.07 -2.73 116.25 122.64 3h5a h VAL 130 Ca 0.21 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 3h5a h VAL 130 Cb 0.39 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 3h5a h VAL 130 CO 0.01 0.31 0.17 0.77 0.02 0.00 0.00 177.57 178.85 3h5a h SER 131 N 0.96 0.52 0.00 0.57 4.64 -0.89 -0.89 113.55 118.47 3h5a h SER 131 Ca 0.22 -0.15 0.02 0.00 -0.47 0.00 0.00 61.79 61.41 3h5a h SER 131 Cb 0.24 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.17 3h5a h SER 131 CO -0.01 0.52 -0.13 0.58 -0.87 0.00 0.00 176.83 176.91 3h5a h VAL 132 N 0.48 0.67 -0.64 0.95 2.07 -1.45 0.62 116.25 118.94 3h5a h VAL 132 Ca 0.13 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.75 3h5a h VAL 132 Cb 0.15 0.67 -0.07 0.00 -1.52 0.00 0.00 31.29 30.52 3h5a h VAL 132 CO -0.01 0.00 0.27 0.40 0.02 0.00 0.00 177.57 178.24 3h5a h ILE 133 N -0.22 0.78 -0.25 4.57 2.04 -1.31 0.50 117.51 123.63 3h5a h ILE 133 Ca 0.04 -0.16 -0.18 0.00 1.00 0.00 0.00 64.86 65.57 3h5a h ILE 133 Cb 0.28 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 3h5a h ILE 133 CO -0.13 0.08 -0.53 -0.07 0.00 0.00 0.00 178.15 177.50 3h5a h LEU 134 N 0.46 0.90 -0.43 1.44 3.38 -0.60 -2.12 115.31 118.35 3h5a h LEU 134 Ca 0.32 -0.55 0.01 0.00 0.09 0.00 0.00 57.88 57.75 3h5a h LEU 134 Cb 0.39 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3h5a h LEU 134 CO -0.30 1.28 0.28 0.00 0.09 0.00 0.00 178.44 179.79 3h5a h ALA 135 N 0.64 0.54 -0.18 1.53 0.00 0.83 -2.25 119.26 120.37 3h5a h ALA 135 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3h5a h ALA 135 Cb 1.15 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3h5a h ALA 135 CO 0.12 -0.02 0.08 1.15 0.00 0.00 0.00 179.25 180.57 3h5a h THR 136 N 0.56 1.07 -0.01 0.00 2.02 0.11 -2.29 112.91 114.38 3h5a h THR 136 Ca 0.16 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3h5a h THR 136 Cb -0.05 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 3h5a h THR 136 CO -0.04 0.08 -0.24 -1.20 0.37 0.00 0.00 175.52 174.49 3h5a n SER 137 N -4.47 1.04 0.00 4.18 7.64 -0.81 -4.96 113.62 116.24 3h5a n SER 137 Ca -0.00 -0.91 0.00 0.00 1.01 0.00 0.00 58.87 58.96 3h5a n SER 137 Cb 0.11 0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 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 1.33 1.13 3.68 0.23 0.00 -0.86 -4.99 105.19 105.72 3h5a n GLY 138 Ca 0.12 -0.22 -0.47 0.00 0.00 0.00 0.00 46.02 45.46 3h5a n GLY 138 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3h5a n ILE 139 N -2.02 0.55 0.23 -0.61 2.08 -0.89 -3.20 119.36 115.50 3h5a n ILE 139 Ca 0.00 -0.10 0.08 0.00 0.56 0.00 0.00 62.75 63.29 3h5a n ILE 139 Cb 0.04 -1.93 0.55 0.00 -0.75 0.00 0.00 39.64 37.55 3h5a n ILE 139 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 3h5a h GLY 140 N 9.09 0.00 -5.39 7.39 0.00 -1.44 -3.44 103.07 109.27 3h5a h GLY 140 Ca -0.48 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.80 3h5a h GLY 140 CO 0.94 0.00 -0.18 1.85 0.00 0.00 0.00 176.54 179.15 3h5a s GLU 141 N -4.17 0.51 0.03 4.80 2.12 -1.11 -2.35 118.70 118.53 3h5a s GLU 141 Ca -0.02 1.02 0.07 0.00 0.36 0.00 0.00 54.97 56.40 3h5a s GLU 141 Cb 0.13 0.14 -0.02 0.00 0.26 0.00 0.00 34.13 34.64 3h5a s GLU 141 CO 0.65 -0.17 -0.22 0.42 -0.54 0.00 0.00 175.26 175.40 3h5a s ILE 142 N 1.72 1.75 -0.19 -3.70 1.01 -0.96 -0.79 121.20 120.06 3h5a s ILE 142 Ca -0.09 -1.17 0.01 0.00 0.00 0.00 0.00 60.65 59.41 3h5a s ILE 142 Cb -0.08 -1.50 0.03 0.00 0.01 0.00 0.00 42.46 40.92 3h5a s ILE 142 CO -0.16 0.29 -0.16 -0.63 0.00 0.00 0.00 174.94 174.28 3h5a s ILE 143 N -0.74 1.91 -0.10 2.92 1.01 -0.18 -1.49 121.20 124.54 3h5a s ILE 143 Ca 0.08 -0.99 -0.15 0.00 0.00 0.00 0.00 60.65 59.60 3h5a s ILE 143 Cb -0.09 -1.82 -0.05 0.00 0.01 0.00 0.00 42.46 40.51 3h5a s ILE 143 CO 0.01 0.39 0.36 -0.76 0.00 0.00 0.00 174.94 174.94 3h5a s LEU 144 N 1.32 4.33 -0.33 2.97 1.43 0.19 -0.79 118.68 127.80 3h5a s LEU 144 Ca 0.02 0.71 -0.00 0.00 -1.03 0.00 0.00 54.13 53.82 3h5a s LEU 144 Cb -0.14 -2.49 0.11 0.00 0.03 0.00 0.00 46.19 43.70 3h5a s LEU 144 CO -0.11 0.16 0.13 -0.63 0.23 0.00 0.00 176.35 176.13 3h5a s ILE 145 N -0.04 0.88 -0.04 -0.59 1.01 -0.83 -1.20 121.20 120.38 3h5a s ILE 145 Ca 0.21 -1.57 -0.30 0.00 0.00 0.00 0.00 60.65 58.99 3h5a s ILE 145 Cb -0.14 -1.66 0.08 0.00 0.01 0.00 0.00 42.46 40.74 3h5a s ILE 145 CO 0.08 -0.73 0.72 -0.62 0.00 0.00 0.00 174.94 174.39 3h5a s ASP 146 N 1.41 -0.60 -0.26 3.58 -1.08 -1.05 -1.78 116.67 116.90 3h5a s ASP 146 Ca 0.11 0.58 0.13 0.00 -0.52 0.00 0.00 52.55 52.85 3h5a s ASP 146 Cb -0.19 0.51 0.47 0.00 -1.46 0.00 0.00 42.92 42.25 3h5a s ASP 146 CO -0.20 -0.62 1.17 -3.20 0.52 0.00 0.00 175.17 172.84 3h5a n ASN 147 N 0.70 3.43 -4.70 -0.34 5.15 -1.23 -3.04 115.26 115.23 3h5a n ASN 147 Ca -0.17 -3.19 -0.23 0.00 -0.60 0.00 0.00 54.58 50.38 3h5a n ASN 147 Cb 0.58 -0.40 -0.07 0.00 -0.53 0.00 0.00 39.78 39.37 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 -3.53 4.84 -0.03 1.20 1.01 -1.26 -4.93 116.67 113.98 3h5a s ASP 148 Ca 0.42 -0.50 -0.03 0.00 0.71 0.00 0.00 52.55 53.15 3h5a s ASP 148 Cb 0.38 -1.02 -0.04 0.00 1.01 0.00 0.00 42.92 43.25 3h5a s ASP 148 CO -0.01 0.01 0.15 -1.10 0.21 0.00 0.00 175.17 174.44 3h5a s GLN 149 N -3.59 3.37 -0.26 8.23 1.11 -1.26 -2.25 119.66 125.01 3h5a s GLN 149 Ca 0.31 -0.32 -0.29 0.00 0.01 0.00 0.00 55.36 55.08 3h5a s GLN 149 Cb -0.07 -3.07 -0.03 0.00 -1.01 0.00 0.00 33.01 28.83 3h5a s GLN 149 CO 0.21 0.69 1.75 0.42 0.01 0.00 0.00 175.29 178.37 3h5a s ILE 150 N -1.24 3.53 0.33 1.08 1.01 0.45 -4.81 121.20 121.54 3h5a s ILE 150 Ca 0.24 0.57 -0.05 0.00 0.00 0.00 0.00 60.65 61.41 3h5a s ILE 150 Cb -0.12 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 38.68 3h5a s ILE 150 CO 0.15 -0.32 0.61 -1.61 0.00 0.00 0.00 174.94 173.77 3h5a s GLU 151 N 5.20 3.64 0.41 2.79 2.02 -1.26 -0.43 118.70 131.07 3h5a s GLU 151 Ca 0.78 0.07 0.08 0.00 0.02 0.00 0.00 54.97 55.91 3h5a s GLU 151 Cb -0.25 -2.58 0.87 0.00 0.10 0.00 0.00 34.13 32.28 3h5a s GLU 151 CO 0.32 0.12 2.05 -0.97 0.02 0.00 0.00 175.26 176.81 3h5a h ASN 152 N 1.38 0.42 0.70 -0.19 -0.73 -1.95 -2.53 115.58 112.67 3h5a h ASN 152 Ca -0.48 -0.02 -0.07 0.00 1.87 0.00 0.00 56.30 57.61 3h5a h ASN 152 Cb 1.19 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 39.67 3h5a h ASN 152 CO 0.65 0.33 -0.32 0.00 -0.37 0.00 0.00 177.43 177.71 3h5a h THR 153 N 0.49 0.87 0.00 -3.57 1.03 -2.01 -3.00 112.91 106.72 3h5a h THR 153 Ca 0.13 -1.30 0.00 0.00 -0.01 0.00 0.00 66.41 65.24 3h5a h THR 153 Cb -0.02 1.78 0.00 0.00 -1.07 0.00 0.00 68.15 68.85 3h5a h THR 153 CO -0.02 0.32 0.00 0.59 -0.01 0.00 0.00 175.52 176.39 3h5a n ASN 154 N -3.63 0.41 0.26 0.00 3.02 -0.95 -3.35 115.26 111.02 3h5a n ASN 154 Ca -0.01 0.65 0.13 0.00 -0.03 0.00 0.00 54.58 55.32 3h5a n ASN 154 Cb 0.44 -0.72 0.69 0.00 -0.61 0.00 0.00 39.78 39.58 3h5a n ASN 154 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3h5a h LEU 155 N 0.00 0.00 -0.87 3.41 3.38 -1.68 -1.95 115.31 117.61 3h5a h LEU 155 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h5a h LEU 155 Cb 0.15 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 3h5a h LEU 155 CO 0.00 0.13 0.53 0.74 0.09 0.00 0.00 178.44 179.93 3h5a h THR 156 N 0.00 1.24 0.00 0.22 2.02 -1.82 -3.35 112.91 111.23 3h5a h THR 156 Ca -0.00 -0.51 -0.18 0.00 0.77 0.00 0.00 66.41 66.49 3h5a h THR 156 Cb 0.43 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.82 3h5a h THR 156 CO 0.02 0.25 -2.08 0.54 0.37 0.00 0.00 175.52 174.62 3h5a n ARG 157 N -4.43 0.84 -3.21 6.66 3.00 -0.92 -4.81 116.66 113.80 3h5a n ARG 157 Ca 0.09 -0.09 -0.38 0.00 -0.01 0.00 0.00 57.85 57.47 3h5a n ARG 157 Cb 0.05 -1.46 -0.02 0.00 0.00 0.00 0.00 32.46 31.02 3h5a n ARG 157 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 3h5a n GLN 158 N -2.44 3.68 -0.14 5.56 6.02 -0.78 -4.86 117.38 124.43 3h5a n GLN 158 Ca -0.17 -4.58 0.14 0.00 -0.01 0.00 0.00 57.00 52.38 3h5a n GLN 158 Cb 0.82 -2.43 0.22 0.00 1.02 0.00 0.00 30.24 29.87 3h5a n GLN 158 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3h5a n VAL 159 N 1.37 0.00 1.12 5.09 0.31 -1.26 -1.99 118.33 122.97 3h5a n VAL 159 Ca 0.27 0.54 0.14 0.00 -0.01 0.00 0.00 64.34 65.28 3h5a n VAL 159 Cb 0.36 -0.96 0.55 0.00 -0.91 0.00 0.00 33.84 32.88 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 -2.27 0.20 -4.70 7.52 4.77 -1.26 -4.93 117.00 116.32 3h5a n LEU 160 Ca 0.12 0.27 -0.35 0.00 -0.03 0.00 0.00 56.01 56.02 3h5a n LEU 160 Cb 0.69 -0.36 -0.09 0.00 -2.33 0.00 0.00 43.42 41.33 3h5a n LEU 160 CO 0.12 0.04 -0.18 -0.36 -1.33 0.00 0.00 177.39 175.68 3h5a s PHE 161 N -2.86 3.37 0.52 -1.77 2.99 -0.84 -5.01 117.98 114.38 3h5a s PHE 161 Ca 0.17 0.29 -0.17 0.00 0.00 0.00 0.00 56.93 57.22 3h5a s PHE 161 Cb 0.19 -2.19 -0.07 0.00 0.00 0.00 0.00 43.02 40.94 3h5a s PHE 161 CO 0.55 0.21 1.00 -1.12 -0.00 0.00 0.00 175.22 175.87 3h5a s SER 162 N 0.58 6.44 0.43 1.36 0.01 -1.26 -4.95 113.70 116.31 3h5a s SER 162 Ca 0.08 1.67 0.17 0.00 1.31 0.00 0.00 55.95 59.18 3h5a s SER 162 Cb -0.12 -2.52 1.09 0.00 0.21 0.00 0.00 66.02 64.68 3h5a s SER 162 CO 0.00 -0.71 1.90 -0.33 0.41 0.00 0.00 173.24 174.50 3h5a h GLU 163 N 0.96 0.37 -0.80 12.44 5.08 -2.00 0.13 114.58 130.77 3h5a h GLU 163 Ca -0.47 -0.02 0.20 0.00 -1.00 0.00 0.00 59.36 58.06 3h5a h GLU 163 Cb 1.20 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.32 3h5a h GLU 163 CO 0.60 0.25 0.55 0.22 -1.00 0.00 0.00 179.01 179.63 3h5a h ASP 164 N 0.38 0.21 0.97 1.42 3.58 -2.04 -2.98 116.42 117.97 3h5a h ASP 164 Ca 0.41 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.88 3h5a h ASP 164 Cb 1.01 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.04 3h5a h ASP 164 CO -0.13 0.09 -0.25 0.47 -2.88 0.00 0.00 179.24 176.54 3h5a n ASP 165 N -4.41 0.46 -4.67 2.28 8.00 0.46 -4.86 116.55 113.81 3h5a n ASP 165 Ca 0.16 0.27 -0.48 0.00 0.71 0.00 0.00 54.79 55.46 3h5a n ASP 165 Cb 0.72 -0.26 -0.05 0.00 -0.02 0.00 0.00 41.12 41.51 3h5a n ASP 165 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3h5a n VAL 166 N -1.81 0.20 0.00 2.53 3.14 -1.13 -1.74 118.33 119.52 3h5a n VAL 166 Ca 0.06 -0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 3h5a n VAL 166 Cb 0.38 -1.58 0.00 0.00 -1.06 0.00 0.00 33.84 31.58 3h5a n VAL 166 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3h5a n GLY 167 N 3.70 3.40 3.66 7.55 0.00 0.43 -5.00 105.19 118.93 3h5a n GLY 167 Ca 0.19 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.95 3h5a n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h5a s LYS 168 N 0.00 0.26 -0.04 1.61 1.02 -0.71 -4.42 119.74 117.46 3h5a s LYS 168 Ca 0.00 0.53 -0.30 0.00 0.02 0.00 0.00 55.97 56.22 3h5a s LYS 168 Cb 0.00 -1.72 -0.03 0.00 -0.52 0.00 0.00 37.83 35.56 3h5a s LYS 168 CO 0.00 -2.85 1.18 -0.80 -0.92 0.00 0.00 175.35 171.96 3h5a s ASN 169 N -3.37 7.08 0.12 2.83 0.01 -1.26 -0.41 114.94 119.93 3h5a s ASN 169 Ca 0.66 1.82 -0.23 0.00 -0.71 0.00 0.00 52.86 54.40 3h5a s ASN 169 Cb -0.19 -2.56 -0.05 0.00 0.41 0.00 0.00 41.25 38.85 3h5a s ASN 169 CO 0.58 -0.55 1.40 0.11 -1.51 0.00 0.00 177.10 177.14 3h5a h LYS 170 N 7.32 -0.02 -0.98 -0.60 1.57 -1.77 0.23 116.57 122.32 3h5a h LYS 170 Ca -0.35 0.00 0.32 0.00 -1.87 0.00 0.00 60.65 58.75 3h5a h LYS 170 Cb 1.17 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.33 3h5a h LYS 170 CO 0.86 -0.01 0.46 0.00 -0.57 0.00 0.00 179.45 180.19 3h5a h THR 171 N -0.02 0.21 0.01 -0.16 1.03 -1.85 -2.46 112.91 109.67 3h5a h THR 171 Ca 0.12 -0.07 -0.27 0.00 -0.01 0.00 0.00 66.41 66.18 3h5a h THR 171 Cb 0.32 -0.01 0.02 0.00 -1.07 0.00 0.00 68.15 67.40 3h5a h THR 171 CO -0.69 0.04 -1.05 -0.08 -0.01 0.00 0.00 175.52 173.73 3h5a h GLU 172 N 0.21 0.68 0.17 0.00 4.81 -0.95 -2.59 114.58 116.90 3h5a h GLU 172 Ca 0.72 -0.74 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 3h5a h GLU 172 Cb 1.67 0.21 0.00 0.00 0.63 0.00 0.00 28.75 31.26 3h5a h GLU 172 CO -0.68 1.32 -0.08 0.28 -0.73 0.00 0.00 179.01 179.12 3h5a h VAL 173 N 0.38 0.95 0.00 0.32 2.07 -1.03 -3.01 116.25 115.93 3h5a h VAL 173 Ca -0.13 -0.60 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 3h5a h VAL 173 Cb 1.71 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.78 3h5a h VAL 173 CO 0.20 0.14 -0.17 0.16 0.02 0.00 0.00 177.57 177.92 3h5a h ILE 174 N -0.52 0.81 -0.69 4.57 3.07 -1.48 0.11 117.51 123.39 3h5a h ILE 174 Ca -0.02 -0.65 -0.04 0.00 1.55 0.00 0.00 64.86 65.69 3h5a h ILE 174 Cb 0.40 1.39 -0.03 0.00 -0.27 0.00 0.00 36.82 38.30 3h5a h ILE 174 CO 0.04 0.16 0.26 0.50 -1.05 0.00 0.00 178.15 178.06 3h5a h LYS 175 N 0.00 1.05 -0.08 0.16 1.63 -1.47 -0.12 116.57 117.74 3h5a h LYS 175 Ca -0.00 -0.20 -0.23 0.00 -0.85 0.00 0.00 60.65 59.37 3h5a h LYS 175 Cb 0.37 -0.16 0.01 0.00 -0.60 0.00 0.00 32.23 31.85 3h5a h LYS 175 CO 0.02 0.88 -0.86 0.07 -3.45 0.00 0.00 179.45 176.11 3h5a h ARG 176 N 1.00 0.66 -0.89 1.90 0.11 -0.69 -2.50 114.38 113.97 3h5a h ARG 176 Ca 0.23 -0.60 -0.01 0.00 0.10 0.00 0.00 59.98 59.69 3h5a h ARG 176 Cb 0.24 0.15 -0.04 0.00 1.11 0.00 0.00 29.97 31.42 3h5a h ARG 176 CO -0.02 1.21 0.51 0.93 0.10 0.00 0.00 179.97 182.70 3h5a h GLU 177 N 0.43 1.23 -0.02 0.08 4.39 -1.18 -1.02 114.58 118.49 3h5a h GLU 177 Ca -0.07 -0.13 -0.09 0.00 0.34 0.00 0.00 59.36 59.40 3h5a h GLU 177 Cb 1.49 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.88 3h5a h GLU 177 CO 0.17 0.89 -0.41 -0.07 -1.16 0.00 0.00 179.01 178.42 3h5a h LEU 178 N 1.24 0.03 -0.25 1.33 3.38 -0.99 -2.29 115.31 117.77 3h5a h LEU 178 Ca 0.32 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 58.08 3h5a h LEU 178 Cb 0.00 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3h5a h LEU 178 CO -0.05 0.44 -0.89 -0.07 0.09 0.00 0.00 178.44 177.96 3h5a h LEU 179 N 0.03 0.05 -0.25 1.67 4.07 -0.96 0.66 115.31 120.58 3h5a h LEU 179 Ca -0.00 -0.05 -0.02 0.00 0.08 0.00 0.00 57.88 57.89 3h5a h LEU 179 Cb 0.74 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.46 3h5a h LEU 179 CO 0.06 0.91 0.09 0.11 -1.08 0.00 0.00 178.44 178.53 3h5a h LYS 180 N 0.02 0.38 -0.35 1.13 1.57 -1.06 -2.33 116.57 115.93 3h5a h LYS 180 Ca -0.02 -0.07 -0.17 0.00 -1.87 0.00 0.00 60.65 58.52 3h5a h LYS 180 Cb 1.55 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.80 3h5a h LYS 180 CO 0.12 0.44 -0.44 0.00 -0.57 0.00 0.00 179.45 178.99 3h5a h ARG 181 N 0.25 0.91 -2.41 3.15 3.08 -1.40 -3.42 114.38 114.54 3h5a h ARG 181 Ca 0.08 -0.51 -0.51 0.00 0.07 0.00 0.00 59.98 59.11 3h5a h ARG 181 Cb 0.20 0.03 -0.37 0.00 0.08 0.00 0.00 29.97 29.92 3h5a h ARG 181 CO -0.01 1.16 -0.80 1.21 -1.07 0.00 0.00 179.97 180.47 3h5a s ASN 182 N -6.88 2.47 0.00 7.04 3.84 0.22 -4.97 114.94 116.66 3h5a s ASN 182 Ca -0.11 -1.92 0.13 0.00 0.21 0.00 0.00 52.86 51.17 3h5a s ASN 182 Cb 0.11 -0.11 0.62 0.00 -0.55 0.00 0.00 41.25 41.32 3h5a s ASN 182 CO 0.88 -0.31 1.37 -1.54 -2.79 0.00 0.00 177.10 174.72 3h5a n SER 183 N 4.21 0.00 -0.07 -4.21 3.41 -0.89 -2.52 113.62 113.55 3h5a n SER 183 Ca 0.10 0.26 -0.11 0.00 -0.26 0.00 0.00 58.87 58.87 3h5a n SER 183 Cb 0.40 -0.37 0.03 0.00 -0.26 0.00 0.00 64.21 64.01 3h5a n SER 183 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3h5a h GLU 184 N 0.00 0.77 -6.42 4.33 4.39 -1.93 -3.47 114.58 112.25 3h5a h GLU 184 Ca 0.00 -0.40 -0.53 0.00 0.34 0.00 0.00 59.36 58.77 3h5a h GLU 184 Cb 0.16 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 3h5a h GLU 184 CO 0.00 1.03 -0.17 0.96 -1.16 0.00 0.00 179.01 179.67 3h5a s ILE 185 N -4.32 5.04 -0.11 3.13 -4.36 -1.05 -5.08 121.20 114.45 3h5a s ILE 185 Ca -0.09 0.09 -0.05 0.00 -0.26 0.00 0.00 60.65 60.34 3h5a s ILE 185 Cb 0.12 -3.70 -0.04 0.00 1.25 0.00 0.00 42.46 40.09 3h5a s ILE 185 CO 0.86 -0.22 0.08 -0.94 0.24 0.00 0.00 174.94 174.95 3h5a s SER 186 N -2.94 5.88 -0.02 4.36 1.04 -0.99 -4.96 113.70 116.07 3h5a s SER 186 Ca 0.44 0.32 0.02 0.00 0.48 0.00 0.00 55.95 57.21 3h5a s SER 186 Cb -0.11 -1.81 -0.00 0.00 0.10 0.00 0.00 66.02 64.20 3h5a s SER 186 CO 0.28 0.39 -0.09 -0.69 0.98 0.00 0.00 173.24 174.11 3h5a s VAL 187 N -0.94 0.71 0.09 5.02 1.01 -1.26 -2.26 120.40 122.77 3h5a s VAL 187 Ca 0.14 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 61.83 3h5a s VAL 187 Cb -0.12 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 3h5a s VAL 187 CO 0.03 0.21 -0.16 -0.44 0.00 0.00 0.00 175.10 174.74 3h5a s SER 188 N 0.00 2.02 0.16 3.32 0.01 -0.55 -5.00 113.70 113.65 3h5a s SER 188 Ca 0.00 -0.68 0.10 0.00 1.31 0.00 0.00 55.95 56.68 3h5a s SER 188 Cb -0.06 -0.08 -0.04 0.00 0.21 0.00 0.00 66.02 66.05 3h5a s SER 188 CO -0.00 -0.05 -0.21 -1.61 0.41 0.00 0.00 173.24 171.79 3h5a s GLU 189 N -1.99 1.65 -0.16 12.44 2.02 -1.26 0.58 118.70 131.98 3h5a s GLU 189 Ca 0.03 -1.35 -0.04 0.00 0.02 0.00 0.00 54.97 53.63 3h5a s GLU 189 Cb -0.09 -1.98 0.07 0.00 0.10 0.00 0.00 34.13 32.23 3h5a s GLU 189 CO 0.03 0.44 0.17 0.42 0.02 0.00 0.00 175.26 176.33 3h5a s ILE 190 N -1.40 -0.24 -1.19 -1.63 1.01 -0.34 -4.92 121.20 112.49 3h5a s ILE 190 Ca 0.19 -0.00 -0.20 0.00 0.00 0.00 0.00 60.65 60.64 3h5a s ILE 190 Cb -0.09 -0.54 0.05 0.00 0.01 0.00 0.00 42.46 41.88 3h5a s ILE 190 CO 0.10 -0.13 1.68 0.00 0.00 0.00 0.00 174.94 176.59 3h5a s ALA 191 N 2.26 2.95 -0.21 9.38 0.00 -1.26 -2.52 121.76 132.37 3h5a s ALA 191 Ca 0.05 -2.61 -0.11 0.00 0.00 0.00 0.00 51.96 49.29 3h5a s ALA 191 Cb -0.15 -4.61 0.07 0.00 0.00 0.00 0.00 23.12 18.43 3h5a s ALA 191 CO -0.09 -3.61 0.49 -1.17 0.00 0.00 0.00 175.76 171.38 3h5a s LEU 192 N 5.24 -0.43 0.17 0.00 0.20 -1.17 -4.74 118.68 117.95 3h5a s LEU 192 Ca 0.53 1.09 0.05 0.00 0.69 0.00 0.00 54.13 56.50 3h5a s LEU 192 Cb 0.02 1.65 -0.04 0.00 -0.43 0.00 0.00 46.19 47.39 3h5a s LEU 192 CO 0.03 -0.21 0.14 0.20 -0.29 0.00 0.00 176.35 176.21 3h5a s ASN 193 N 1.69 5.50 -0.46 3.68 -0.87 -1.26 -3.22 114.94 120.01 3h5a s ASN 193 Ca -0.08 -0.14 -0.17 0.00 -1.57 0.00 0.00 52.86 50.89 3h5a s ASN 193 Cb -0.08 -1.43 0.05 0.00 -0.02 0.00 0.00 41.25 39.77 3h5a s ASN 193 CO -0.15 0.06 0.45 -0.63 -2.57 0.00 0.00 177.10 174.26 3h5a s ILE 194 N -1.78 5.12 -0.13 0.60 1.01 -1.26 -4.89 121.20 119.88 3h5a s ILE 194 Ca 0.31 -0.71 0.15 0.00 0.00 0.00 0.00 60.65 60.40 3h5a s ILE 194 Cb -0.10 -4.12 -0.22 0.00 0.01 0.00 0.00 42.46 38.03 3h5a s ILE 194 CO 0.23 -0.56 0.14 0.59 0.00 0.00 0.00 174.94 175.34 3h5a n ASN 195 N 5.52 0.95 -3.79 3.58 3.02 -1.26 -4.62 115.26 118.66 3h5a n ASN 195 Ca -0.10 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.36 3h5a n ASN 195 Cb 0.45 1.12 -0.05 0.00 -0.61 0.00 0.00 39.78 40.69 3h5a n ASN 195 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 3h5a s ASP 196 N -4.79 -0.15 0.21 6.41 -4.77 -1.26 -5.06 116.67 107.27 3h5a s ASP 196 Ca -0.08 -0.57 -0.08 0.00 -3.30 0.00 0.00 52.55 48.52 3h5a s ASP 196 Cb 0.06 0.51 0.33 0.00 -1.09 0.00 0.00 42.92 42.73 3h5a s ASP 196 CO 0.69 -0.96 1.25 0.00 0.70 0.00 0.00 175.17 176.85 3h5a n TYR 197 N -0.27 0.23 0.29 2.11 9.36 -1.26 -0.77 117.16 126.85 3h5a n TYR 197 Ca -0.10 0.98 0.18 0.00 3.32 0.00 0.00 57.90 62.27 3h5a n TYR 197 Cb 0.63 -0.93 0.91 0.00 -0.63 0.00 0.00 39.34 39.32 3h5a n TYR 197 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3h5a h THR 198 N 0.00 0.11 -0.36 2.97 1.03 -2.00 -2.27 112.91 112.39 3h5a h THR 198 Ca 0.36 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.75 3h5a h THR 198 Cb 0.56 0.77 -0.02 0.00 -1.07 0.00 0.00 68.15 68.39 3h5a h THR 198 CO -0.82 0.00 0.16 0.44 -0.01 0.00 0.00 175.52 175.30 3h5a h ASP 199 N 0.00 0.44 0.00 0.00 3.32 -1.35 -2.71 116.42 116.12 3h5a h ASP 199 Ca 0.03 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3h5a h ASP 199 Cb 0.52 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.96 3h5a h ASP 199 CO -0.00 0.39 0.09 -0.07 -1.72 0.00 0.00 179.24 177.92 3h5a h LEU 200 N 0.50 0.00 -0.54 1.55 3.38 -1.62 0.10 115.31 118.68 3h5a h LEU 200 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3h5a h LEU 200 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3h5a h LEU 200 CO -0.02 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.92 3h5a n HIS 201 N -2.47 0.69 0.13 1.13 8.25 -1.02 -2.25 115.22 119.68 3h5a n HIS 201 Ca -0.02 0.26 0.08 0.00 -0.26 0.00 0.00 57.72 57.78 3h5a n HIS 201 Cb 0.13 -0.93 0.04 0.00 1.12 0.00 0.00 29.99 30.35 3h5a n HIS 201 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 3h5a h LYS 202 N 0.00 0.00 -6.05 -0.41 1.57 -1.01 -3.46 116.57 107.21 3h5a h LYS 202 Ca 0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 3h5a h LYS 202 Cb 0.37 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.62 3h5a h LYS 202 CO 0.00 0.16 0.69 0.08 -0.57 0.00 0.00 179.45 179.81 3h5a s VAL 203 N -3.15 4.73 0.66 0.50 1.01 -0.96 -5.03 120.40 118.16 3h5a s VAL 203 Ca 0.02 1.93 -0.13 0.00 0.00 0.00 0.00 61.98 63.81 3h5a s VAL 203 Cb 0.08 -4.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 3h5a s VAL 203 CO 0.75 -0.12 1.06 -2.16 0.00 0.00 0.00 175.10 174.63 3h5a s PRO 204 N 2.89 3.04 0.30 2.72 0.04 -1.26 -5.00 135.00 137.74 3h5a s PRO 204 Ca 0.43 1.09 -0.29 0.00 0.04 0.00 0.00 61.00 62.27 3h5a s PRO 204 Cb -0.16 -2.00 -0.13 0.00 0.04 0.00 0.00 34.50 32.25 3h5a s PRO 204 CO 0.08 -1.02 1.29 0.39 0.04 0.00 0.00 177.00 177.78 3h5a n GLU 205 N -2.66 1.99 -3.64 4.56 1.02 -1.26 -4.99 120.64 115.66 3h5a n GLU 205 Ca 0.08 0.70 -0.14 0.00 -0.02 0.00 0.00 57.16 57.78 3h5a n GLU 205 Cb 0.53 -2.28 -0.07 0.00 -0.02 0.00 0.00 31.44 29.61 3h5a n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3h5a s ALA 206 N -0.76 -1.18 0.38 0.62 0.00 -1.26 -5.04 121.76 114.51 3h5a s ALA 206 Ca 0.60 0.59 0.17 0.00 0.00 0.00 0.00 51.96 53.32 3h5a s ALA 206 Cb -0.61 0.21 1.10 0.00 0.00 0.00 0.00 23.12 23.81 3h5a s ALA 206 CO 0.58 -0.40 1.72 -0.44 0.00 0.00 0.00 175.76 177.22 3h5a h ASP 207 N 3.19 0.48 -5.04 0.00 3.32 -1.77 -3.44 116.42 113.17 3h5a h ASP 207 Ca -0.30 0.12 -0.03 0.00 0.02 0.00 0.00 57.03 56.84 3h5a h ASP 207 Cb 1.18 0.06 -0.12 0.00 0.22 0.00 0.00 39.33 40.67 3h5a h ASP 207 CO 0.41 0.01 0.08 -0.51 -1.72 0.00 0.00 179.24 177.51 3h5a s ILE 208 N -5.56 0.03 -0.09 0.35 2.07 -1.25 -4.54 121.20 112.21 3h5a s ILE 208 Ca -0.09 -0.28 0.03 0.00 -1.41 0.00 0.00 60.65 58.90 3h5a s ILE 208 Cb 0.27 -1.10 -0.01 0.00 0.13 0.00 0.00 42.46 41.75 3h5a s ILE 208 CO 0.80 -0.14 -0.19 0.26 -1.91 0.00 0.00 174.94 173.75 3h5a s TRP 209 N -3.78 2.63 -0.33 3.50 0.52 -0.66 -2.52 118.94 118.30 3h5a s TRP 209 Ca 0.02 -0.74 -0.13 0.00 0.02 0.00 0.00 56.10 55.27 3h5a s TRP 209 Cb 0.00 -1.72 -0.02 0.00 -1.15 0.00 0.00 33.47 30.58 3h5a s TRP 209 CO -0.12 -0.24 0.26 0.08 0.02 0.00 0.00 176.95 176.96 3h5a s VAL 210 N 0.11 5.26 -0.48 4.03 1.01 0.00 -0.71 120.40 129.63 3h5a s VAL 210 Ca -0.09 -0.12 -0.05 0.00 0.00 0.00 0.00 61.98 61.72 3h5a s VAL 210 Cb -0.16 -3.72 0.13 0.00 0.00 0.00 0.00 36.38 32.63 3h5a s VAL 210 CO 0.06 -0.00 0.31 -0.69 0.00 0.00 0.00 175.10 174.77 3h5a s VAL 211 N 1.79 3.74 -0.18 2.92 1.01 0.72 -0.97 120.40 129.43 3h5a s VAL 211 Ca 0.07 -2.14 -0.03 0.00 0.00 0.00 0.00 61.98 59.88 3h5a s VAL 211 Cb -0.17 -3.49 -0.10 0.00 0.00 0.00 0.00 36.38 32.62 3h5a s VAL 211 CO 0.11 -0.76 -0.19 -1.54 0.00 0.00 0.00 175.10 172.72 3h5a n SER 212 N 4.48 2.09 -2.31 3.32 3.41 -1.19 -2.59 113.62 120.83 3h5a n SER 212 Ca -0.02 0.04 -0.31 0.00 -0.26 0.00 0.00 58.87 58.32 3h5a n SER 212 Cb 0.41 -0.38 -0.04 0.00 -0.26 0.00 0.00 64.21 63.93 3h5a n SER 212 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h5a n ALA 213 N -3.34 -1.76 1.91 7.33 0.00 -1.24 -4.66 120.51 118.75 3h5a n ALA 213 Ca -0.32 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3h5a n ALA 213 Cb 0.79 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.34 3h5a n ALA 213 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3h5a n ASP 214 N 1.07 0.11 -3.59 0.00 5.75 -1.26 -4.83 116.55 113.79 3h5a n ASP 214 Ca 0.11 -2.00 -0.09 0.00 -0.01 0.00 0.00 54.79 52.81 3h5a n ASP 214 Cb 0.02 -0.04 -0.05 0.00 -1.03 0.00 0.00 41.12 40.03 3h5a n ASP 214 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3h5a s HIS 215 N -1.93 -0.30 0.48 2.11 2.46 -1.26 -4.67 115.29 112.18 3h5a s HIS 215 Ca 0.01 0.52 -0.23 0.00 0.47 0.00 0.00 55.06 55.82 3h5a s HIS 215 Cb 0.00 0.46 -0.07 0.00 -0.13 0.00 0.00 32.58 32.84 3h5a s HIS 215 CO 0.00 -0.27 1.29 -2.14 -2.47 0.00 0.00 174.74 171.15 3h5a s PRO 216 N -1.03 3.57 0.36 2.88 0.02 -1.26 -4.95 135.00 134.59 3h5a s PRO 216 Ca 0.01 2.08 0.18 0.00 0.02 0.00 0.00 61.00 63.29 3h5a s PRO 216 Cb -0.01 -2.45 1.26 0.00 0.02 0.00 0.00 34.50 33.32 3h5a s PRO 216 CO -0.01 -0.80 1.57 1.97 -0.33 0.00 0.00 177.00 179.40 3h5a n PHE 217 N -0.53 1.09 -1.36 6.54 -1.74 -1.26 -0.44 117.46 119.76 3h5a n PHE 217 Ca 0.07 1.18 -0.27 0.00 -0.56 0.00 0.00 57.45 57.87 3h5a n PHE 217 Cb 0.45 -1.53 0.12 0.00 1.52 0.00 0.00 39.48 40.05 3h5a n PHE 217 CO 0.00 0.00 0.00 0.27 -0.56 0.00 0.00 176.76 176.47 3h5a n ASN 218 N -5.28 5.50 -0.19 5.98 6.94 -1.26 -4.49 115.26 122.46 3h5a n ASN 218 Ca 0.36 -3.72 -0.06 0.00 -0.02 0.00 0.00 54.58 51.14 3h5a n ASN 218 Cb 1.21 -0.84 0.04 0.00 -2.36 0.00 0.00 39.78 37.83 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 1.55 0.57 -0.54 -4.53 5.85 -1.12 -2.93 115.31 114.16 3h5a h LEU 219 Ca 0.56 -0.00 0.10 0.00 0.84 0.00 0.00 57.88 59.37 3h5a h LEU 219 Cb 1.70 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 42.53 3h5a h LEU 219 CO 1.23 0.41 0.11 0.40 -0.34 0.00 0.00 178.44 180.24 3h5a h ILE 220 N 0.69 0.68 -0.50 4.05 2.04 -1.83 -1.47 117.51 121.16 3h5a h ILE 220 Ca 0.21 -0.08 0.07 0.00 1.00 0.00 0.00 64.86 66.06 3h5a h ILE 220 Cb -0.02 0.42 -0.06 0.00 -0.74 0.00 0.00 36.82 36.42 3h5a h ILE 220 CO -0.08 0.04 0.17 0.78 0.00 0.00 0.00 178.15 179.06 3h5a h ASN 221 N 0.24 0.15 -0.40 1.72 2.35 -1.86 0.14 115.58 117.92 3h5a h ASN 221 Ca 0.28 0.07 -0.13 0.00 -0.55 0.00 0.00 56.30 55.96 3h5a h ASN 221 Cb 0.39 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 3h5a h ASN 221 CO -0.37 0.11 -0.24 -0.50 -1.65 0.00 0.00 177.43 174.79 3h5a h TRP 222 N 0.34 1.05 -0.35 1.19 6.55 -1.28 -1.71 115.95 121.73 3h5a h TRP 222 Ca 0.25 -0.25 -0.04 0.00 0.95 0.00 0.00 58.89 59.79 3h5a h TRP 222 Cb 0.28 -0.24 -0.02 0.00 -0.86 0.00 0.00 29.16 28.31 3h5a h TRP 222 CO -0.17 1.05 0.03 0.28 -1.05 0.00 0.00 178.44 178.58 3h5a h VAL 223 N 0.78 1.19 0.26 1.49 2.07 -0.89 0.96 116.25 122.11 3h5a h VAL 223 Ca 0.10 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 3h5a h VAL 223 Cb 0.79 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 3h5a h VAL 223 CO 0.07 0.25 -0.13 -1.13 0.02 0.00 0.00 177.57 176.65 3h5a h ASN 224 N 0.52 -0.30 -0.71 0.57 -0.00 -0.46 -0.05 115.58 115.15 3h5a h ASN 224 Ca 0.12 0.01 0.07 0.00 -0.00 0.00 0.00 56.30 56.50 3h5a h ASN 224 Cb 0.28 0.08 -0.09 0.00 -0.00 0.00 0.00 38.32 38.59 3h5a h ASN 224 CO 0.00 -0.12 -0.39 0.29 -0.00 0.00 0.00 177.43 177.22 3h5a n LYS 225 N -3.48 -0.29 -0.06 6.67 4.76 -0.67 -0.72 118.16 124.38 3h5a n LYS 225 Ca -0.04 1.08 -0.10 0.00 -2.87 0.00 0.00 58.31 56.38 3h5a n LYS 225 Cb 0.14 -1.60 -0.03 0.00 -1.84 0.00 0.00 35.03 31.70 3h5a n LYS 225 CO 0.00 0.00 0.00 -0.92 -1.37 0.00 0.00 177.40 175.11 3h5a h TYR 226 N 0.00 0.30 0.04 2.13 3.20 -0.78 -2.86 116.97 118.99 3h5a h TYR 226 Ca 0.14 0.01 -0.23 0.00 3.14 0.00 0.00 58.73 61.79 3h5a h TYR 226 Cb 0.32 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.49 3h5a h TYR 226 CO -0.72 0.19 -1.01 0.00 -1.64 0.00 0.00 178.16 174.99 3h5a h VAL 228 N 0.13 0.47 0.00 0.00 2.07 -0.94 0.32 116.25 118.29 3h5a h VAL 228 Ca -0.08 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 3h5a h VAL 228 Cb 1.68 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.91 3h5a h VAL 228 CO 0.16 0.00 -0.02 0.08 0.02 0.00 0.00 177.57 177.81 3h5a h ARG 229 N -0.37 0.00 -0.01 1.57 0.11 -1.25 -3.00 114.38 111.43 3h5a h ARG 229 Ca 0.06 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.14 3h5a h ARG 229 Cb 0.44 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.52 3h5a h ARG 229 CO -0.21 0.02 -0.16 0.00 0.10 0.00 0.00 179.97 179.73 3h5a n ALA 230 N -2.10 2.88 -3.69 0.08 0.00 0.21 -4.96 120.51 112.92 3h5a n ALA 230 Ca 0.03 -0.49 -0.26 0.00 0.00 0.00 0.00 53.44 52.71 3h5a n ALA 230 Cb 0.50 -1.05 0.05 0.00 0.00 0.00 0.00 19.45 18.96 3h5a n ALA 230 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3h5a n ASN 231 N 0.03 -5.70 -4.49 0.00 5.03 0.61 -4.99 115.26 105.74 3h5a n ASN 231 Ca 0.14 -0.62 -0.38 0.00 0.87 0.00 0.00 54.58 54.59 3h5a n ASN 231 Cb 0.40 -4.52 -0.11 0.00 -1.02 0.00 0.00 39.78 34.53 3h5a n ASN 231 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 3h5a s GLN 232 N -6.40 3.54 0.34 3.52 2.00 0.79 -4.87 119.66 118.58 3h5a s GLN 232 Ca 0.60 -0.58 -0.28 0.00 -2.00 0.00 0.00 55.36 53.10 3h5a s GLN 232 Cb -0.28 -3.60 -0.09 0.00 0.80 0.00 0.00 33.01 29.84 3h5a s GLN 232 CO 0.74 -0.34 1.16 -2.14 -0.50 0.00 0.00 175.29 174.21 3h5a s PRO 233 N 1.67 4.36 0.06 1.67 0.02 -1.26 -4.62 135.00 136.90 3h5a s PRO 233 Ca 0.06 1.87 -0.11 0.00 0.02 0.00 0.00 61.00 62.84 3h5a s PRO 233 Cb -0.17 -2.95 0.01 0.00 0.02 0.00 0.00 34.50 31.41 3h5a s PRO 233 CO 0.08 -0.06 0.23 1.52 -0.33 0.00 0.00 177.00 178.44 3h5a s TYR 234 N -1.28 0.03 -0.06 6.54 1.13 -1.07 -1.65 117.35 120.99 3h5a s TYR 234 Ca 0.50 -0.29 0.02 0.00 -1.41 0.00 0.00 57.07 55.89 3h5a s TYR 234 Cb -0.32 0.01 0.02 0.00 -1.10 0.00 0.00 41.96 40.56 3h5a s TYR 234 CO 0.41 -0.49 -0.11 -1.50 -2.51 0.00 0.00 175.55 171.35 3h5a s ILE 235 N -2.99 1.02 0.34 -3.49 2.07 0.11 -0.31 121.20 117.95 3h5a s ILE 235 Ca -0.02 -0.40 -0.02 0.00 -1.41 0.00 0.00 60.65 58.79 3h5a s ILE 235 Cb 0.01 -0.95 -0.04 0.00 0.13 0.00 0.00 42.46 41.61 3h5a s ILE 235 CO -0.06 0.33 0.59 0.21 -1.91 0.00 0.00 174.94 174.09 3h5a s ASN 236 N 0.76 6.35 -0.27 4.50 3.04 -1.16 -0.20 114.94 127.95 3h5a s ASN 236 Ca -0.13 0.63 -0.26 0.00 0.04 0.00 0.00 52.86 53.14 3h5a s ASN 236 Cb -0.15 -2.11 0.14 0.00 -1.54 0.00 0.00 41.25 37.59 3h5a s ASN 236 CO 0.02 -0.30 1.15 0.00 -3.04 0.00 0.00 177.10 174.94 3h5a s ALA 237 N -2.29 -2.04 0.00 1.71 0.00 -1.07 -1.28 121.76 116.79 3h5a s ALA 237 Ca 0.43 1.79 0.00 0.00 0.00 0.00 0.00 51.96 54.17 3h5a s ALA 237 Cb -0.10 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 21.57 3h5a s ALA 237 CO 0.35 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.31 3h5a n GLY 238 N 1.79 -0.62 3.30 0.00 0.00 -0.15 -4.30 105.19 105.21 3h5a n GLY 238 Ca -0.11 -0.61 -0.10 0.00 0.00 0.00 0.00 46.02 45.20 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 -3.59 -0.02 -0.45 1.61 1.13 -1.26 -0.75 117.35 114.02 3h5a s TYR 239 Ca 0.00 -0.34 0.02 0.00 -1.41 0.00 0.00 57.07 55.34 3h5a s TYR 239 Cb 0.00 0.14 0.13 0.00 -1.10 0.00 0.00 41.96 41.13 3h5a s TYR 239 CO 0.00 -0.67 0.24 0.08 -2.51 0.00 0.00 175.55 172.69 3h5a s VAL 240 N -3.85 1.50 0.00 -3.49 1.01 0.19 -4.93 120.40 110.84 3h5a s VAL 240 Ca 0.06 -2.62 0.00 0.00 0.00 0.00 0.00 61.98 59.42 3h5a s VAL 240 Cb 0.03 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.36 3h5a s VAL 240 CO -0.10 -0.89 0.00 0.59 0.00 0.00 0.00 175.10 174.71 3h5a n ASN 241 N 3.51 0.00 0.23 3.32 3.02 -1.26 -1.90 115.26 122.18 3h5a n ASN 241 Ca 0.08 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.77 3h5a n ASN 241 Cb 0.34 0.00 0.77 0.00 -0.61 0.00 0.00 39.78 40.28 3h5a n ASN 241 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 3h5a h ASP 242 N 0.00 0.00 -3.36 6.41 3.58 -1.95 -3.40 116.42 117.70 3h5a h ASP 242 Ca 0.00 0.00 -0.64 0.00 0.42 0.00 0.00 57.03 56.81 3h5a h ASP 242 Cb 0.00 0.00 -0.23 0.00 1.72 0.00 0.00 39.33 40.82 3h5a h ASP 242 CO 0.00 0.00 -0.68 -0.63 -2.88 0.00 0.00 179.24 175.05 3h5a s ILE 243 N -4.85 3.74 0.28 2.25 1.01 -0.80 -4.07 121.20 118.77 3h5a s ILE 243 Ca -0.05 -0.40 -0.25 0.00 0.00 0.00 0.00 60.65 59.95 3h5a s ILE 243 Cb 0.16 -2.66 -0.09 0.00 0.01 0.00 0.00 42.46 39.88 3h5a s ILE 243 CO 0.62 0.47 0.89 0.00 0.00 0.00 0.00 174.94 176.92 3h5a s ALA 244 N 0.71 3.28 -0.05 9.38 0.00 -0.95 -0.64 121.76 133.49 3h5a s ALA 244 Ca -0.02 0.46 0.01 0.00 0.00 0.00 0.00 51.96 52.41 3h5a s ALA 244 Cb -0.14 -3.10 0.02 0.00 0.00 0.00 0.00 23.12 19.89 3h5a s ALA 244 CO 0.02 0.22 -0.05 0.08 0.00 0.00 0.00 175.76 176.02 3h5a s VAL 245 N -1.52 0.60 0.07 0.00 1.01 0.07 -0.74 120.40 119.89 3h5a s VAL 245 Ca 0.47 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.28 3h5a s VAL 245 Cb -0.19 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 3h5a s VAL 245 CO 0.24 0.24 -0.01 0.72 0.00 0.00 0.00 175.10 176.30 3h5a s PHE 246 N 0.90 0.63 0.13 5.22 -0.71 0.13 -0.98 117.98 123.31 3h5a s PHE 246 Ca -0.11 -1.11 0.00 0.00 -1.04 0.00 0.00 56.93 54.67 3h5a s PHE 246 Cb -0.14 -0.42 0.00 0.00 -1.21 0.00 0.00 43.02 41.24 3h5a s PHE 246 CO 0.00 -0.41 0.00 0.41 -1.34 0.00 0.00 175.22 173.89 3h5a n GLY 247 N 0.05 -2.06 3.80 1.99 0.00 -0.40 -0.30 105.19 108.26 3h5a n GLY 247 Ca -0.12 -1.40 -0.32 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.23 2.97 -0.27 1.61 0.04 -1.18 -4.54 135.00 131.40 3h5a s PRO 248 Ca 0.00 1.11 -0.11 0.00 0.04 0.00 0.00 61.00 62.03 3h5a s PRO 248 Cb 0.00 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 3h5a s PRO 248 CO 0.00 -1.08 0.20 -1.17 0.04 0.00 0.00 177.00 174.99 3h5a s LEU 249 N -5.17 4.05 -0.20 -3.56 2.96 -1.21 -2.98 118.68 112.57 3h5a s LEU 249 Ca 0.61 0.06 -0.17 0.00 -0.22 0.00 0.00 54.13 54.41 3h5a s LEU 249 Cb -0.16 -2.15 -0.04 0.00 0.50 0.00 0.00 46.19 44.34 3h5a s LEU 249 CO 0.48 -0.03 0.45 -0.47 -1.32 0.00 0.00 176.35 175.45 3h5a s TYR 250 N 1.60 3.38 -0.15 5.38 5.04 0.58 -4.28 117.35 128.89 3h5a s TYR 250 Ca 0.08 0.69 0.01 0.00 -2.44 0.00 0.00 57.07 55.41 3h5a s TYR 250 Cb -0.15 -2.59 0.02 0.00 0.35 0.00 0.00 41.96 39.58 3h5a s TYR 250 CO 0.09 -0.05 -0.17 0.08 -1.34 0.00 0.00 175.55 174.16 3h5a s VAL 251 N 1.44 1.79 0.07 3.14 1.01 -1.26 -2.61 120.40 123.98 3h5a s VAL 251 Ca 0.21 -0.78 -0.33 0.00 0.00 0.00 0.00 61.98 61.08 3h5a s VAL 251 Cb -0.15 -1.64 -0.12 0.00 0.00 0.00 0.00 36.38 34.47 3h5a s VAL 251 CO 0.09 0.50 1.76 -2.65 0.00 0.00 0.00 175.10 174.80 3h5a n PRO 252 N 4.55 2.37 0.00 2.72 -0.02 -1.26 -1.47 135.00 141.89 3h5a n PRO 252 Ca -0.19 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3h5a n PRO 252 Cb 0.50 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 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 4.01 1.97 0.30 -1.23 0.00 -1.26 -4.74 105.19 104.25 3h5a n GLY 253 Ca 0.19 -0.26 -0.06 0.00 0.00 0.00 0.00 46.02 45.89 3h5a n GLY 253 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3h5a h LYS 254 N 0.00 1.04 0.00 1.61 2.10 -1.89 -3.47 116.57 115.95 3h5a h LYS 254 Ca 0.00 -0.17 -0.49 0.00 -2.00 0.00 0.00 60.65 57.99 3h5a h LYS 254 Cb 0.00 -0.18 -0.10 0.00 -0.90 0.00 0.00 32.23 31.05 3h5a h LYS 254 CO 0.00 0.84 -0.37 0.25 -2.00 0.00 0.00 179.45 178.16 3h5a n THR 255 N -4.40 0.00 -1.67 0.07 -2.24 -0.54 -4.96 114.28 100.54 3h5a n THR 255 Ca 0.06 -1.88 -0.31 0.00 -2.27 0.00 0.00 64.05 59.65 3h5a n THR 255 Cb 0.15 0.48 0.05 0.00 -2.10 0.00 0.00 70.33 68.91 3h5a n THR 255 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3h5a s GLY 256 N -3.12 1.65 0.49 3.38 0.00 -1.25 -4.49 107.32 103.98 3h5a s GLY 256 Ca 0.06 -0.06 0.06 0.00 0.00 0.00 0.00 44.72 44.78 3h5a s GLY 256 CO 0.04 0.27 0.34 0.00 0.00 0.00 0.00 173.10 173.75 3h5a h TYR 258 N 0.98 0.00 0.10 0.00 3.20 -1.95 -3.03 116.97 116.27 3h5a h TYR 258 Ca -0.39 0.00 -0.30 0.00 3.14 0.00 0.00 58.73 61.18 3h5a h TYR 258 Cb 1.28 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.54 3h5a h TYR 258 CO 0.82 0.00 -1.57 1.49 -1.64 0.00 0.00 178.16 177.26 3h5a h GLU 259 N 0.00 0.22 -0.48 1.82 4.57 -1.96 -3.42 114.58 115.33 3h5a h GLU 259 Ca 0.00 -0.38 0.19 0.00 -1.18 0.00 0.00 59.36 57.99 3h5a h GLU 259 Cb 0.33 0.14 -0.09 0.00 -0.16 0.00 0.00 28.75 28.97 3h5a h GLU 259 CO 0.00 1.18 0.21 0.00 -1.18 0.00 0.00 179.01 179.22 3h5a n GLN 261 N -4.18 1.89 -1.16 0.00 1.13 -1.26 -4.52 117.38 109.28 3h5a n GLN 261 Ca 0.17 -1.82 -0.32 0.00 -1.94 0.00 0.00 57.00 53.08 3h5a n GLN 261 Cb 0.56 -1.38 0.11 0.00 0.11 0.00 0.00 30.24 29.65 3h5a n GLN 261 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3h5a s LYS 262 N -1.37 1.84 0.05 -1.09 1.02 -0.00 -5.05 119.74 115.14 3h5a s LYS 262 Ca 0.26 1.49 -0.01 0.00 0.02 0.00 0.00 55.97 57.73 3h5a s LYS 262 Cb 0.17 -1.83 -0.04 0.00 -0.52 0.00 0.00 37.83 35.61 3h5a s LYS 262 CO 0.24 -2.00 -0.03 0.08 -0.92 0.00 0.00 175.35 172.71 3h5a s VAL 263 N -2.50 0.23 0.54 3.17 1.01 -1.26 -5.07 120.40 116.52 3h5a s VAL 263 Ca 0.67 -1.62 0.24 0.00 0.00 0.00 0.00 61.98 61.27 3h5a s VAL 263 Cb -0.23 -1.25 0.31 0.00 0.00 0.00 0.00 36.38 35.21 3h5a s VAL 263 CO 0.52 -0.88 2.19 1.62 0.00 0.00 0.00 175.10 178.55 3h5a h VAL 264 N 3.47 0.73 -4.90 2.92 3.04 -2.04 -3.47 116.25 116.00 3h5a h VAL 264 Ca -0.34 -0.09 -0.01 0.00 -1.01 0.00 0.00 66.70 65.26 3h5a h VAL 264 Cb 1.16 1.05 0.01 0.00 -2.01 0.00 0.00 31.29 31.49 3h5a h VAL 264 CO 0.60 0.02 -0.03 0.00 -1.01 0.00 0.00 177.57 177.15 3h5a n ALA 265 N -2.40 -2.29 0.03 3.17 0.00 -1.26 -4.96 120.51 112.80 3h5a n ALA 265 Ca -0.03 0.01 -0.10 0.00 0.00 0.00 0.00 53.44 53.31 3h5a n ALA 265 Cb 0.11 -1.36 -0.04 0.00 0.00 0.00 0.00 19.45 18.15 3h5a n ALA 265 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3h5a h ASP 266 N 0.31 -0.39 -0.11 0.00 3.45 -2.05 -3.28 116.42 114.35 3h5a h ASP 266 Ca -0.02 0.07 -0.54 0.00 0.43 0.00 0.00 57.03 56.97 3h5a h ASP 266 Cb 1.01 0.18 0.05 0.00 -0.56 0.00 0.00 39.33 40.00 3h5a h ASP 266 CO 0.25 -0.18 1.75 0.00 -1.57 0.00 0.00 179.24 179.48 3h5a n LEU 267 N -5.27 3.17 0.02 1.55 -0.00 -1.26 -4.81 117.00 110.40 3h5a n LEU 267 Ca -0.04 -2.68 -0.01 0.00 -0.00 0.00 0.00 56.01 53.27 3h5a n LEU 267 Cb 0.19 -1.17 -0.01 0.00 -0.00 0.00 0.00 43.42 42.43 3h5a n LEU 267 CO 0.25 -1.15 0.50 1.88 -0.00 0.00 0.00 177.39 178.87 3h5a h TYR 268 N 8.86 -0.12 0.00 1.47 0.99 -1.96 -3.46 116.97 122.76 3h5a h TYR 268 Ca 0.33 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.06 3h5a h TYR 268 Cb 0.75 0.05 0.00 0.00 1.00 0.00 0.00 36.73 38.53 3h5a h TYR 268 CO 1.18 -0.05 0.00 0.41 -0.00 0.00 0.00 178.16 179.69 3h5a n GLY 269 N -1.05 0.89 3.23 3.88 0.00 -1.26 -5.17 105.19 105.71 3h5a n GLY 269 Ca -0.01 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 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 0.07 0.00 1.61 0.15 -1.26 -5.10 113.70 110.17 3h5a s SER 270 Ca 0.00 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 56.03 3h5a s SER 270 Cb 0.00 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 3h5a s SER 270 CO 0.00 -0.76 0.57 -0.62 1.20 0.00 0.00 173.24 173.63 3h5a n GLU 271 N -0.09 0.00 -2.13 5.44 -0.58 -1.26 -4.73 120.64 117.29 3h5a n GLU 271 Ca -0.15 0.44 -0.43 0.00 -0.42 0.00 0.00 57.16 56.61 3h5a n GLU 271 Cb 0.63 -1.24 -0.03 0.00 -0.57 0.00 0.00 31.44 30.23 3h5a n GLU 271 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3h5a s LYS 272 N -2.02 3.37 0.33 3.49 1.02 -1.26 -4.90 119.74 119.77 3h5a s LYS 272 Ca 0.00 1.18 0.10 0.00 0.02 0.00 0.00 55.97 57.26 3h5a s LYS 272 Cb 0.00 -4.15 0.87 0.00 -0.52 0.00 0.00 37.83 34.03 3h5a s LYS 272 CO 0.00 -1.82 1.76 1.49 -0.92 0.00 0.00 175.35 175.86 3h5a h GLU 273 N 12.20 0.60 -0.59 1.68 4.57 -1.99 -1.14 114.58 129.91 3h5a h GLU 273 Ca -0.31 -0.04 0.05 0.00 -1.18 0.00 0.00 59.36 57.89 3h5a h GLU 273 Cb 1.14 -0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 29.55 3h5a h GLU 273 CO 1.07 0.40 0.31 -2.95 -1.18 0.00 0.00 179.01 176.66 3h5a h ASN 274 N 0.62 0.46 1.08 1.04 -0.00 -1.99 -2.79 115.58 114.01 3h5a h ASN 274 Ca 0.61 0.03 -0.18 0.00 -0.00 0.00 0.00 56.30 56.75 3h5a h ASN 274 Cb 1.14 -0.06 -0.03 0.00 -0.00 0.00 0.00 38.32 39.37 3h5a h ASN 274 CO -0.40 0.30 -0.94 0.16 -0.00 0.00 0.00 177.43 176.55 3h5a h ILE 275 N 0.59 1.32 -0.95 6.14 3.07 -1.66 -3.34 117.51 122.68 3h5a h ILE 275 Ca 0.26 -2.93 0.07 0.00 1.55 0.00 0.00 64.86 63.82 3h5a h ILE 275 Cb 0.16 2.64 -0.07 0.00 -0.27 0.00 0.00 36.82 39.29 3h5a h ILE 275 CO -0.17 0.75 0.61 -0.78 -1.05 0.00 0.00 178.15 177.51 3h5a h ASP 276 N 0.00 0.96 1.49 2.16 3.58 -1.01 -0.22 116.42 123.39 3h5a h ASP 276 Ca -0.04 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.42 3h5a h ASP 276 Cb 1.67 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 42.53 3h5a h ASP 276 CO 0.10 0.60 0.00 1.12 -2.88 0.00 0.00 179.24 178.18 3h5a h HIS 277 N 1.09 0.00 0.05 0.28 2.07 -1.66 -2.42 115.15 114.56 3h5a h HIS 277 Ca 0.42 0.00 -0.28 0.00 -2.85 0.00 0.00 60.37 57.66 3h5a h HIS 277 Cb 0.20 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.20 3h5a h HIS 277 CO -0.01 0.00 -1.13 0.87 -3.07 0.00 0.00 177.93 174.59 3h5a h LYS 278 N 0.00 0.68 -0.15 5.12 1.57 -1.22 -2.06 116.57 120.51 3h5a h LYS 278 Ca 0.00 -0.79 -0.00 0.00 -1.87 0.00 0.00 60.65 57.98 3h5a h LYS 278 Cb 0.75 0.24 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 3h5a h LYS 278 CO 0.00 1.35 0.09 -0.84 -0.57 0.00 0.00 179.45 179.48 3h5a h ILE 279 N 0.35 1.09 -1.01 1.86 3.07 -1.08 -1.67 117.51 120.12 3h5a h ILE 279 Ca -0.15 -0.23 0.13 0.00 1.55 0.00 0.00 64.86 66.16 3h5a h ILE 279 Cb 1.79 0.97 -0.09 0.00 -0.27 0.00 0.00 36.82 39.22 3h5a h ILE 279 CO 0.22 0.08 0.63 0.11 -1.05 0.00 0.00 178.15 178.14 3h5a h LYS 280 N 0.16 0.92 -0.07 0.16 1.57 -1.48 -0.21 116.57 117.61 3h5a h LYS 280 Ca 0.05 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3h5a h LYS 280 Cb 0.06 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 3h5a h LYS 280 CO -0.01 0.61 -0.04 1.25 -0.57 0.00 0.00 179.45 180.69 3h5a h LEU 281 N 0.95 0.16 -0.52 2.94 5.85 -1.14 -1.42 115.31 122.14 3h5a h LEU 281 Ca 0.52 -0.44 0.04 0.00 0.84 0.00 0.00 57.88 58.84 3h5a h LEU 281 Cb 0.57 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 3h5a h LEU 281 CO -0.29 0.57 0.27 0.40 -0.34 0.00 0.00 178.44 179.04 3h5a h ILE 282 N -0.24 0.97 0.00 4.05 2.04 -0.81 -1.21 117.51 122.31 3h5a h ILE 282 Ca 0.01 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 3h5a h ILE 282 Cb 0.51 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 3h5a h ILE 282 CO 0.01 0.10 -0.03 0.78 0.00 0.00 0.00 178.15 179.01 3h5a h ASN 283 N 0.52 0.00 1.46 1.72 2.35 -1.02 -2.28 115.58 118.33 3h5a h ASN 283 Ca 0.23 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.96 3h5a h ASN 283 Cb 0.13 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 3h5a h ASN 283 CO -0.15 0.03 -0.09 0.77 -1.65 0.00 0.00 177.43 176.34 3h5a h SER 284 N 0.00 0.00 0.02 5.81 4.64 -0.07 -2.89 113.55 121.06 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 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3h5a h SER 284 CO 0.00 0.09 -0.06 0.54 -0.87 0.00 0.00 176.83 176.53 3h5a n ARG 285 N -3.15 1.64 -1.76 4.77 1.74 -0.86 -4.97 116.66 114.06 3h5a n ARG 285 Ca 0.02 -1.07 -0.42 0.00 -0.77 0.00 0.00 57.85 55.61 3h5a n ARG 285 Cb 0.46 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.39 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 -2.10 2.92 -0.05 -1.55 5.36 -1.09 -5.03 117.98 116.43 3h5a s PHE 286 Ca 0.33 0.42 0.01 0.00 -0.96 0.00 0.00 56.93 56.73 3h5a s PHE 286 Cb 0.20 -4.10 0.02 0.00 -0.34 0.00 0.00 43.02 38.80 3h5a s PHE 286 CO 0.37 -4.13 -0.05 0.21 -1.46 0.00 0.00 175.22 170.16 3h5a s LYS 287 N 1.03 0.88 0.18 10.12 2.20 -1.26 -5.12 119.74 127.77 3h5a s LYS 287 Ca 0.73 -0.11 -0.30 0.00 -0.36 0.00 0.00 55.97 55.94 3h5a s LYS 287 Cb -0.49 -0.90 -0.08 0.00 -1.51 0.00 0.00 37.83 34.85 3h5a s LYS 287 CO 0.33 -0.10 1.18 -1.25 -0.36 0.00 0.00 175.35 175.15 3h5a s PRO 288 N 1.02 4.50 -1.02 4.03 0.04 -1.26 -4.95 135.00 137.36 3h5a s PRO 288 Ca -0.09 1.85 -0.19 0.00 0.04 0.00 0.00 61.00 62.61 3h5a s PRO 288 Cb -0.14 -3.25 0.12 0.00 0.04 0.00 0.00 34.50 31.27 3h5a s PRO 288 CO -0.00 -0.07 1.28 0.00 0.04 0.00 0.00 177.00 178.24 3h5a s ALA 289 N -0.06 3.36 0.38 8.56 0.00 -1.26 -5.00 121.76 127.74 3h5a s ALA 289 Ca 0.52 -2.80 0.04 0.00 0.00 0.00 0.00 51.96 49.73 3h5a s ALA 289 Cb -0.32 -4.18 -0.01 0.00 0.00 0.00 0.00 23.12 18.61 3h5a s ALA 289 CO 0.36 -3.07 0.55 0.95 0.00 0.00 0.00 175.76 174.55 3h5a s THR 290 N 2.98 4.07 -0.14 0.00 -4.23 -1.26 -3.51 115.64 113.54 3h5a s THR 290 Ca 0.38 -0.78 -0.04 0.00 -1.18 0.00 0.00 61.69 60.07 3h5a s THR 290 Cb -0.03 -3.45 0.05 0.00 1.34 0.00 0.00 72.50 70.41 3h5a s THR 290 CO -0.07 -0.24 0.08 0.12 -0.54 0.00 0.00 174.62 173.97 3h5a s PHE 291 N -2.34 0.20 0.25 3.99 5.36 -1.26 -5.01 117.98 119.17 3h5a s PHE 291 Ca 0.46 -0.18 -0.14 0.00 -0.96 0.00 0.00 56.93 56.11 3h5a s PHE 291 Cb -0.10 -0.65 0.33 0.00 -0.34 0.00 0.00 43.02 42.26 3h5a s PHE 291 CO 0.34 -0.43 1.56 0.00 -1.46 0.00 0.00 175.22 175.23 3h5a h ALA 292 N 8.42 0.36 -0.05 11.12 0.00 -1.97 0.11 119.26 137.24 3h5a h ALA 292 Ca -0.14 0.32 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3h5a h ALA 292 Cb 1.14 0.90 -0.00 0.00 0.00 0.00 0.00 17.79 19.82 3h5a h ALA 292 CO 0.25 -0.52 0.15 -1.35 0.00 0.00 0.00 179.25 177.78 3h5a h PRO 293 N -0.01 0.00 -0.03 0.00 0.11 -1.97 -1.64 132.00 128.45 3h5a h PRO 293 Ca 0.40 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.49 3h5a h PRO 293 Cb 0.65 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.76 3h5a h PRO 293 CO -0.99 0.00 -0.04 0.28 -0.21 0.00 0.00 178.00 177.04 3h5a h VAL 294 N 0.00 1.39 -1.00 3.15 2.07 -1.16 -1.94 116.25 118.77 3h5a h VAL 294 Ca 0.02 -1.23 0.27 0.00 0.82 0.00 0.00 66.70 66.58 3h5a h VAL 294 Cb 0.32 2.14 -0.19 0.00 -1.52 0.00 0.00 31.29 32.05 3h5a h VAL 294 CO -0.00 0.33 0.01 0.78 0.02 0.00 0.00 177.57 178.71 3h5a h ASN 295 N -0.39 -0.51 -0.27 0.57 4.21 -1.33 -1.92 115.58 115.94 3h5a h ASN 295 Ca 0.00 0.28 -0.12 0.00 1.21 0.00 0.00 56.30 57.68 3h5a h ASN 295 Cb 0.56 0.50 -0.00 0.00 -1.12 0.00 0.00 38.32 38.26 3h5a h ASN 295 CO 0.01 -0.36 -0.32 0.78 -1.29 0.00 0.00 177.43 176.25 3h5a h ASN 296 N 0.00 0.75 0.35 5.81 -0.26 -1.34 -0.84 115.58 120.05 3h5a h ASN 296 Ca 0.60 -0.49 -0.01 0.00 -0.56 0.00 0.00 56.30 55.84 3h5a h ASN 296 Cb 1.22 -0.21 -0.00 0.00 -1.06 0.00 0.00 38.32 38.27 3h5a h ASN 296 CO -0.94 1.09 -0.20 0.58 -1.06 0.00 0.00 177.43 176.90 3h5a h VAL 297 N 0.42 0.59 0.04 2.81 2.07 -0.61 -1.05 116.25 120.52 3h5a h VAL 297 Ca 0.04 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.58 3h5a h VAL 297 Cb 0.89 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 3h5a h VAL 297 CO 0.08 0.00 -0.28 0.00 0.02 0.00 0.00 177.57 177.39 3h5a h ALA 298 N 0.12 -0.41 -0.85 1.67 0.00 -1.42 -1.89 119.26 116.48 3h5a h ALA 298 Ca -0.04 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.94 3h5a h ALA 298 Cb 0.41 0.48 -0.07 0.00 0.00 0.00 0.00 17.79 18.61 3h5a h ALA 298 CO 0.05 -0.79 0.50 0.00 0.00 0.00 0.00 179.25 179.01 3h5a h ALA 299 N 0.32 1.21 -0.28 0.00 0.00 -1.05 -0.51 119.26 118.95 3h5a h ALA 299 Ca 0.05 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3h5a h ALA 299 Cb 0.51 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3h5a h ALA 299 CO -0.22 0.16 -0.18 0.00 0.00 0.00 0.00 179.25 179.02 3h5a h ALA 300 N 1.45 0.39 -0.41 0.00 0.00 -0.80 0.79 119.26 120.68 3h5a h ALA 300 Ca 0.40 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 3h5a h ALA 300 Cb 0.32 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3h5a h ALA 300 CO -0.23 0.32 -0.34 -0.07 0.00 0.00 0.00 179.25 178.93 3h5a h LEU 301 N 0.34 1.00 -0.61 0.00 3.38 -1.06 -1.31 115.31 117.06 3h5a h LEU 301 Ca 0.06 -0.44 0.02 0.00 0.09 0.00 0.00 57.88 57.60 3h5a h LEU 301 Cb 0.72 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3h5a h LEU 301 CO 0.05 1.24 0.39 0.00 0.09 0.00 0.00 178.44 180.21 3h5a h ALA 303 N 1.24 1.57 -0.24 0.00 0.00 -0.59 -2.35 119.26 118.90 3h5a h ALA 303 Ca 0.23 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3h5a h ALA 303 Cb -0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3h5a h ALA 303 CO -0.07 0.31 -0.07 0.00 0.00 0.00 0.00 179.25 179.42 3h5a h ALA 304 N 1.72 0.33 -0.86 0.00 0.00 -0.42 -2.26 119.26 117.77 3h5a h ALA 304 Ca 0.02 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.67 3h5a h ALA 304 Cb 0.39 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 3h5a h ALA 304 CO 0.03 0.14 0.57 -0.44 0.00 0.00 0.00 179.25 179.55 3h5a h ASP 305 N 0.20 0.96 -0.20 0.00 3.32 -0.96 -1.88 116.42 117.86 3h5a h ASP 305 Ca 0.06 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 3h5a h ASP 305 Cb 0.55 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 3h5a h ASP 305 CO 0.03 0.68 0.11 0.58 -1.72 0.00 0.00 179.24 178.92 3h5a h VAL 306 N 1.12 1.10 -0.69 -1.35 2.07 -1.21 0.56 116.25 117.85 3h5a h VAL 306 Ca 0.33 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 3h5a h VAL 306 Cb -0.05 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 3h5a h VAL 306 CO -0.09 0.10 0.35 0.40 0.02 0.00 0.00 177.57 178.35 3h5a h ILE 307 N 0.22 1.22 -0.15 4.57 2.04 -1.17 0.66 117.51 124.90 3h5a h ILE 307 Ca 0.07 -0.59 -0.06 0.00 1.00 0.00 0.00 64.86 65.28 3h5a h ILE 307 Cb 0.06 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 36.46 3h5a h ILE 307 CO -0.01 0.25 -0.16 0.11 0.00 0.00 0.00 178.15 178.34 3h5a h LYS 308 N 0.97 0.37 0.09 2.37 1.57 -1.15 0.15 116.57 120.95 3h5a h LYS 308 Ca 0.24 -0.20 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 3h5a h LYS 308 Cb 0.07 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 3h5a h LYS 308 CO -0.03 0.76 -0.28 0.35 -0.57 0.00 0.00 179.45 179.68 3h5a h PHE 309 N -0.00 -0.75 -0.15 -1.35 3.57 -0.58 0.16 116.94 117.84 3h5a h PHE 309 Ca 0.02 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.42 3h5a h PHE 309 Cb 0.70 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 3h5a h PHE 309 CO 0.09 -0.38 -0.43 0.82 -2.23 0.00 0.00 178.31 176.18 3h5a h ILE 310 N -0.48 1.31 0.00 1.41 2.04 -0.91 -3.22 117.51 117.67 3h5a h ILE 310 Ca 0.04 -1.59 -0.10 0.00 1.00 0.00 0.00 64.86 64.21 3h5a h ILE 310 Cb 0.52 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 3h5a h ILE 310 CO -0.18 0.48 -0.47 1.23 0.00 0.00 0.00 178.15 179.21 3h5a h GLY 311 N 1.19 0.00 -2.45 5.37 0.00 -0.50 -3.43 103.07 103.25 3h5a h GLY 311 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.01 3h5a h GLY 311 CO 0.07 0.00 -0.44 0.28 0.00 0.00 0.00 176.54 176.45 3h5a n LYS 312 N -3.21 -1.39 -0.05 4.80 4.76 0.55 -4.70 118.16 118.92 3h5a n LYS 312 Ca 0.02 0.85 -0.00 0.00 -2.87 0.00 0.00 58.31 56.31 3h5a n LYS 312 Cb 0.72 -5.31 -0.13 0.00 -1.84 0.00 0.00 35.03 28.47 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 -3.98 0.00 -3.99 2.13 4.11 -1.25 -5.01 117.16 109.17 3h5a n TYR 313 Ca -0.21 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.60 3h5a n TYR 313 Cb 0.66 -0.60 -0.06 0.00 -0.00 0.00 0.00 39.34 39.34 3h5a n TYR 313 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.86 175.32 3h5a s SER 314 N -4.50 -0.07 0.16 9.48 1.04 -1.26 -4.86 113.70 113.69 3h5a s SER 314 Ca -0.07 -0.93 -0.31 0.00 0.48 0.00 0.00 55.95 55.12 3h5a s SER 314 Cb 0.08 0.55 -0.09 0.00 0.10 0.00 0.00 66.02 66.66 3h5a s SER 314 CO 0.68 -1.08 1.38 -1.61 0.98 0.00 0.00 173.24 173.60 3h5a s GLU 315 N -4.01 4.33 0.45 4.02 2.02 -1.26 -4.61 118.70 119.64 3h5a s GLU 315 Ca 0.22 2.11 -0.25 0.00 0.02 0.00 0.00 54.97 57.07 3h5a s GLU 315 Cb 0.00 -3.21 -0.08 0.00 0.10 0.00 0.00 34.13 30.95 3h5a s GLU 315 CO 0.07 -0.39 1.38 -2.14 0.02 0.00 0.00 175.26 174.20 3h5a s PRO 316 N 0.58 3.68 0.43 0.39 0.02 -1.26 -4.91 135.00 133.92 3h5a s PRO 316 Ca 0.62 2.30 0.19 0.00 0.02 0.00 0.00 61.00 64.14 3h5a s PRO 316 Cb -0.38 -2.61 0.96 0.00 0.02 0.00 0.00 34.50 32.49 3h5a s PRO 316 CO 0.34 -0.78 1.89 -0.07 -0.33 0.00 0.00 177.00 178.04 3h5a h LEU 317 N 2.28 0.00 -1.21 -5.54 3.38 -1.95 -3.23 115.31 109.03 3h5a h LEU 317 Ca -0.50 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.38 3h5a h LEU 317 Cb 1.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 3h5a h LEU 317 CO 0.61 0.28 -0.37 0.28 0.09 0.00 0.00 178.44 179.33 3h5a h SER 318 N 0.00 0.04 -0.90 -0.43 0.02 -1.91 -3.43 113.55 106.94 3h5a h SER 318 Ca -0.00 -0.02 -0.84 0.00 -0.84 0.00 0.00 61.79 60.09 3h5a h SER 318 Cb 0.61 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.14 3h5a h SER 318 CO 0.04 0.41 0.84 0.18 -1.14 0.00 0.00 176.83 177.16 3h5a n LEU 319 N -4.09 1.31 -0.89 5.07 4.77 -1.22 -0.60 117.00 121.35 3h5a n LEU 319 Ca -0.02 1.07 -0.12 0.00 -0.03 0.00 0.00 56.01 56.92 3h5a n LEU 319 Cb 0.41 -0.93 -0.05 0.00 -2.33 0.00 0.00 43.42 40.53 3h5a n LEU 319 CO 0.39 -0.77 -0.11 0.59 -1.33 0.00 0.00 177.39 176.16 3h5a n ASN 320 N 4.91 -4.83 -3.82 -1.43 3.02 -1.26 -4.95 115.26 106.90 3h5a n ASN 320 Ca 0.35 0.29 -0.13 0.00 -0.03 0.00 0.00 54.58 55.06 3h5a n ASN 320 Cb -0.03 -3.35 -0.14 0.00 -0.61 0.00 0.00 39.78 35.66 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 -2.86 0.07 -0.22 3.52 1.02 0.23 -0.35 119.74 121.15 3h5a s LYS 321 Ca 0.00 0.16 -0.07 0.00 0.02 0.00 0.00 55.97 56.08 3h5a s LYS 321 Cb 0.00 -0.04 -0.03 0.00 -0.52 0.00 0.00 37.83 37.24 3h5a s LYS 321 CO 0.00 -0.06 0.07 0.50 -0.92 0.00 0.00 175.35 174.94 3h5a s ARG 322 N 0.39 3.80 -0.12 1.68 3.52 0.47 -3.10 118.95 125.58 3h5a s ARG 322 Ca -0.03 -0.42 -0.01 0.00 -0.13 0.00 0.00 55.73 55.14 3h5a s ARG 322 Cb -0.04 -3.28 -0.03 0.00 -1.56 0.00 0.00 34.95 30.04 3h5a s ARG 322 CO -0.01 0.01 -0.07 0.42 -0.81 0.00 0.00 175.30 174.84 3h5a s ILE 323 N 1.08 3.67 -0.13 4.11 1.01 0.58 -0.43 121.20 131.09 3h5a s ILE 323 Ca 0.04 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.26 3h5a s ILE 323 Cb -0.14 -2.56 0.01 0.00 0.01 0.00 0.00 42.46 39.78 3h5a s ILE 323 CO 0.03 0.53 -0.23 -0.83 0.00 0.00 0.00 174.94 174.45 3h5a s GLY 324 N -0.04 1.35 -0.29 6.18 0.00 -0.02 -0.69 107.32 113.81 3h5a s GLY 324 Ca -0.00 -1.05 -0.08 0.00 0.00 0.00 0.00 44.72 43.59 3h5a s GLY 324 CO 0.03 -0.14 0.11 -0.42 0.00 0.00 0.00 173.10 172.68 3h5a s ILE 325 N 0.63 4.31 0.82 0.90 1.09 0.08 -1.07 121.20 127.96 3h5a s ILE 325 Ca -0.11 -0.45 -0.11 0.00 -1.10 0.00 0.00 60.65 58.87 3h5a s ILE 325 Cb -0.16 -3.16 0.08 0.00 -1.06 0.00 0.00 42.46 38.16 3h5a s ILE 325 CO 0.02 0.14 1.09 0.26 -0.10 0.00 0.00 174.94 176.35 3h5a s TRP 326 N 1.57 2.54 0.00 3.97 0.51 -0.31 -2.25 118.94 124.98 3h5a s TRP 326 Ca 0.04 1.37 0.00 0.00 -2.12 0.00 0.00 56.10 55.40 3h5a s TRP 326 Cb -0.17 -3.09 0.00 0.00 -0.81 0.00 0.00 33.47 29.40 3h5a s TRP 326 CO 0.04 -2.00 0.00 -1.13 -0.51 0.00 0.00 176.95 173.35 3h5a n SER 327 N -3.63 3.95 -0.82 2.95 3.41 -1.26 -4.68 113.62 113.54 3h5a n SER 327 Ca 0.08 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.76 3h5a n SER 327 Cb 0.54 0.46 0.20 0.00 -0.26 0.00 0.00 64.21 65.15 3h5a n SER 327 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3h5a n ASP 328 N -1.60 2.38 -3.54 4.04 5.75 -1.26 -4.86 116.55 117.46 3h5a n ASP 328 Ca 0.00 -2.00 -0.15 0.00 -0.01 0.00 0.00 54.79 52.64 3h5a n ASP 328 Cb 0.33 -0.30 -0.05 0.00 -1.03 0.00 0.00 41.12 40.07 3h5a n ASP 328 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 3h5a s GLU 329 N -1.41 0.88 -0.27 0.11 2.12 -1.26 -5.13 118.70 113.75 3h5a s GLU 329 Ca 0.30 0.17 -0.14 0.00 0.36 0.00 0.00 54.97 55.65 3h5a s GLU 329 Cb 0.16 0.42 -0.04 0.00 0.26 0.00 0.00 34.13 34.92 3h5a s GLU 329 CO 0.20 -0.28 0.35 -1.50 -0.54 0.00 0.00 175.26 173.49 3h5a s ILE 330 N -1.32 5.19 -0.30 -3.70 2.07 -1.26 -4.50 121.20 117.38 3h5a s ILE 330 Ca -0.07 0.53 -0.17 0.00 -1.41 0.00 0.00 60.65 59.53 3h5a s ILE 330 Cb -0.00 -3.68 0.21 0.00 0.13 0.00 0.00 42.46 39.12 3h5a s ILE 330 CO 0.05 0.17 1.31 -0.75 -1.91 0.00 0.00 174.94 173.82 3h5a s LYS 331 N 1.99 0.02 -0.07 3.50 2.20 -1.26 -5.03 119.74 121.08 3h5a s LYS 331 Ca 0.14 0.03 -0.01 0.00 -0.36 0.00 0.00 55.97 55.77 3h5a s LYS 331 Cb -0.16 0.00 0.03 0.00 -1.51 0.00 0.00 37.83 36.19 3h5a s LYS 331 CO 0.10 -0.00 -0.01 -1.50 -0.36 0.00 0.00 175.35 173.58 3h5a s ILE 332 N 0.87 0.45 -0.04 5.43 2.07 -1.26 -1.16 121.20 127.57 3h5a s ILE 332 Ca -0.06 0.07 0.03 0.00 -1.41 0.00 0.00 60.65 59.28 3h5a s ILE 332 Cb -0.02 -0.59 -0.03 0.00 0.13 0.00 0.00 42.46 41.95 3h5a s ILE 332 CO -0.10 0.27 -0.11 -2.28 -1.91 0.00 0.00 174.94 170.81 3h5a s HIS 333 N 1.88 2.80 -0.02 3.50 2.46 -0.23 -4.98 115.29 120.70 3h5a s HIS 333 Ca 0.04 -0.09 0.06 0.00 0.47 0.00 0.00 55.06 55.55 3h5a s HIS 333 Cb -0.12 -1.64 -0.02 0.00 -0.13 0.00 0.00 32.58 30.66 3h5a s HIS 333 CO -0.05 0.27 -0.20 0.45 -2.47 0.00 0.00 174.74 172.74 3h5a s SER 334 N -0.92 3.58 -0.05 9.88 0.15 -1.26 -0.84 113.70 124.24 3h5a s SER 334 Ca 0.13 -0.36 0.05 0.00 0.70 0.00 0.00 55.95 56.47 3h5a s SER 334 Cb -0.11 -0.59 -0.01 0.00 -1.71 0.00 0.00 66.02 63.61 3h5a s SER 334 CO 0.02 0.32 -0.21 -1.58 1.20 0.00 0.00 173.24 172.99 3h5a s GLN 335 N -0.83 2.17 0.17 5.44 0.74 0.43 -4.96 119.66 122.83 3h5a s GLN 335 Ca 0.11 -0.76 -0.31 0.00 0.05 0.00 0.00 55.36 54.45 3h5a s GLN 335 Cb -0.10 -1.86 -0.10 0.00 1.10 0.00 0.00 33.01 32.05 3h5a s GLN 335 CO 0.01 0.31 1.56 1.21 -0.55 0.00 0.00 175.29 177.84 3h5a s ASN 336 N -0.07 6.58 -0.12 6.67 2.47 -1.26 -0.40 114.94 128.82 3h5a s ASN 336 Ca -0.04 2.64 0.21 0.00 0.42 0.00 0.00 52.86 56.08 3h5a s ASN 336 Cb -0.13 -2.60 0.40 0.00 -1.45 0.00 0.00 41.25 37.48 3h5a s ASN 336 CO 0.03 -0.82 1.16 0.23 -3.72 0.00 0.00 177.10 173.98 3h5a n MET 337 N 3.82 0.70 -1.60 0.43 2.81 0.53 -4.81 117.12 119.00 3h5a n MET 337 Ca 0.13 -2.31 -0.29 0.00 -1.81 0.00 0.00 57.70 53.43 3h5a n MET 337 Cb 0.38 -0.44 0.14 0.00 -0.71 0.00 0.00 33.22 32.59 3h5a n MET 337 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3h5a s GLY 338 N -2.40 1.59 0.34 3.03 0.00 -1.21 -3.75 107.32 104.92 3h5a s GLY 338 Ca 0.25 -0.61 -0.29 0.00 0.00 0.00 0.00 44.72 44.08 3h5a s GLY 338 CO -0.10 -0.03 1.40 -2.13 0.00 0.00 0.00 173.10 172.23 3h5a n ARG 339 N -3.74 2.36 -4.67 2.90 0.63 -1.26 -4.52 116.66 108.36 3h5a n ARG 339 Ca 0.08 0.83 -0.33 0.00 -0.92 0.00 0.00 57.85 57.50 3h5a n ARG 339 Cb 0.60 -2.49 -0.13 0.00 0.45 0.00 0.00 32.46 30.88 3h5a n ARG 339 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3h5a s SER 340 N -0.11 4.27 0.42 6.15 0.15 -1.26 -4.97 113.70 118.36 3h5a s SER 340 Ca 0.57 -0.24 0.20 0.00 0.70 0.00 0.00 55.95 57.18 3h5a s SER 340 Cb -0.54 -1.57 0.93 0.00 -1.71 0.00 0.00 66.02 63.13 3h5a s SER 340 CO 0.60 0.19 1.86 1.55 1.20 0.00 0.00 173.24 178.65 3h5a h PRO 341 N 6.50 0.00 -0.80 5.44 0.13 -1.96 -3.14 132.00 138.18 3h5a h PRO 341 Ca -0.30 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.48 3h5a h PRO 341 Cb 1.20 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.12 3h5a h PRO 341 CO 0.57 0.29 0.40 1.55 -0.23 0.00 0.00 178.00 180.58 3h5a n VAL 342 N -3.68 3.00 -3.34 1.56 3.14 -1.26 -4.45 118.33 113.30 3h5a n VAL 342 Ca -0.01 -1.93 -0.38 0.00 -2.96 0.00 0.00 64.34 59.06 3h5a n VAL 342 Cb 0.40 -0.40 -0.06 0.00 -1.06 0.00 0.00 33.84 32.71 3h5a n VAL 342 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3h5a h SER 344 N 6.89 0.64 0.08 0.00 0.02 -1.92 0.19 113.55 119.44 3h5a h SER 344 Ca -0.39 0.02 -0.20 0.00 -0.84 0.00 0.00 61.79 60.38 3h5a h SER 344 Cb 1.17 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.60 3h5a h SER 344 CO 0.75 0.37 -0.99 0.58 -1.14 0.00 0.00 176.83 176.40 3h5a h VAL 345 N 0.70 1.26 -0.01 2.27 2.07 -1.94 -3.40 116.25 117.21 3h5a h VAL 345 Ca 0.38 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.52 3h5a h VAL 345 Cb 0.53 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 33.17 3h5a h VAL 345 CO -0.15 0.63 0.00 0.00 0.02 0.00 0.00 177.57 178.06 3h5a n GLY 347 N 0.06 -1.91 3.64 0.00 0.00 0.65 -4.99 105.19 102.62 3h5a n GLY 347 Ca 0.01 -1.58 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.99 1.48 -0.07 1.61 0.01 -1.26 -4.96 114.94 108.77 3h5a s ASN 348 Ca 0.32 0.74 -0.02 0.00 -0.71 0.00 0.00 52.86 53.19 3h5a s ASN 348 Cb -0.02 -1.08 -0.01 0.00 0.41 0.00 0.00 41.25 40.55 3h5a s ASN 348 CO 0.24 -3.79 0.11 0.08 -1.51 0.00 0.00 177.10 172.23 3h5a h ARG 349 N -2.35 -0.08 -0.29 -0.60 0.11 -1.97 -3.48 114.38 105.73 3h5a h ARG 349 Ca -0.47 0.01 0.25 0.00 0.10 0.00 0.00 59.98 59.86 3h5a h ARG 349 Cb 1.30 0.02 -0.22 0.00 1.11 0.00 0.00 29.97 32.18 3h5a h ARG 349 CO 0.41 -0.05 0.25 1.41 0.10 0.00 0.00 179.97 182.09 3h5a s MET 350 N -1.72 0.13 0.04 0.08 0.00 -1.26 -5.20 119.30 111.38 3h5a s MET 350 Ca -0.01 0.26 0.01 0.00 0.00 0.00 0.00 55.69 55.95 3h5a s MET 350 Cb 0.00 0.15 -0.02 0.00 0.00 0.00 0.00 34.83 34.95 3h5a s MET 350 CO 0.04 -0.12 -0.06 -0.51 0.00 0.00 0.00 175.02 174.37 3h5a s LEU 351 N 2.77 2.27 -0.09 4.11 1.43 -1.26 -5.15 118.68 122.76 3h5a s LEU 351 Ca -0.03 -0.58 0.02 0.00 -1.03 0.00 0.00 54.13 52.51 3h5a s LEU 351 Cb -0.08 -0.05 -0.02 0.00 0.03 0.00 0.00 46.19 46.07 3h5a s LEU 351 CO -0.11 -0.27 -0.15 -1.61 0.23 0.00 0.00 176.35 174.43 3h5a s GLU 352 N -1.76 2.91 0.00 1.70 2.02 -1.26 -5.02 118.70 117.29 3h5a s GLU 352 Ca -0.10 -0.72 0.00 0.00 0.02 0.00 0.00 54.97 54.16 3h5a s GLU 352 Cb -0.08 -2.46 0.00 0.00 0.10 0.00 0.00 34.13 31.69 3h5a s GLU 352 CO -0.01 0.40 0.82 0.72 0.02 0.00 0.00 175.26 177.21 3h5a n HIS 353 N 2.96 0.00 -3.83 1.61 8.25 -1.26 -5.03 115.22 117.92 3h5a n HIS 353 Ca -0.18 -0.33 -0.34 0.00 -0.26 0.00 0.00 57.72 56.62 3h5a n HIS 353 Cb 0.52 -0.03 -0.05 0.00 1.12 0.00 0.00 29.99 31.55 3h5a n HIS 353 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 3h5a s HIS 354 N -0.65 3.56 -0.03 4.41 -3.43 -1.26 -5.12 115.29 112.77 3h5a s HIS 354 Ca 0.00 0.47 -0.21 0.00 -0.80 0.00 0.00 55.06 54.52 3h5a s HIS 354 Cb 0.00 -1.91 0.04 0.00 -1.43 0.00 0.00 32.58 29.28 3h5a s HIS 354 CO 0.00 0.63 0.46 -3.38 -2.00 0.00 0.00 174.74 170.45 3h5a s HIS 355 N -1.30 -0.37 -0.18 0.38 -3.43 -1.26 -5.16 115.29 103.97 3h5a s HIS 355 Ca 0.27 0.62 -0.04 0.00 -0.80 0.00 0.00 55.06 55.11 3h5a s HIS 355 Cb -0.13 0.22 -0.02 0.00 -1.43 0.00 0.00 32.58 31.22 3h5a s HIS 355 CO 0.17 -0.47 -0.04 -1.58 -2.00 0.00 0.00 174.74 170.81 3h5a s HIS 356 N -1.24 2.98 -0.42 0.38 5.04 -1.26 -5.09 115.29 115.69 3h5a s HIS 356 Ca -0.12 -0.53 -0.24 0.00 -1.54 0.00 0.00 55.06 52.64 3h5a s HIS 356 Cb -0.03 -2.01 0.02 0.00 0.04 0.00 0.00 32.58 30.60 3h5a s HIS 356 CO 0.06 -0.23 0.81 -1.01 -2.34 0.00 0.00 174.74 172.04 3h5a s HIS 357 N 0.78 3.03 -2.58 3.88 3.76 -1.26 -5.36 115.29 117.54 3h5a s HIS 357 Ca -0.01 0.37 0.27 0.00 -0.15 0.00 0.00 55.06 55.54 3h5a s HIS 357 Cb -0.15 -3.62 0.91 0.00 1.11 0.00 0.00 32.58 30.84 3h5a s HIS 357 CO 0.02 -0.90 1.67 0.72 -0.85 0.00 0.00 174.74 175.39