#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h7a s ARG 4 N 0.00 2.46 -1.34 -0.52 0.52 0.60 -5.03 118.95 115.64 3h7a s ARG 4 Ca 0.00 -0.78 -0.13 0.00 -0.52 0.00 0.00 55.73 54.30 3h7a s ARG 4 Cb 0.00 -2.44 0.10 0.00 0.52 0.00 0.00 34.95 33.13 3h7a s ARG 4 CO 0.00 0.59 1.91 -1.71 0.02 0.00 0.00 175.30 176.11 3h7a n ASN 5 N 1.51 4.64 -3.54 0.23 4.05 -1.26 -4.62 115.26 116.27 3h7a n ASN 5 Ca -0.15 -2.96 -0.14 0.00 0.45 0.00 0.00 54.58 51.78 3h7a n ASN 5 Cb 0.52 -1.61 -0.05 0.00 1.23 0.00 0.00 39.78 39.87 3h7a n ASN 5 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3h7a s ALA 6 N 2.28 -1.84 0.21 5.20 0.00 -1.26 -4.20 121.76 122.14 3h7a s ALA 6 Ca 0.45 1.40 0.09 0.00 0.00 0.00 0.00 51.96 53.90 3h7a s ALA 6 Cb 0.08 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 3h7a s ALA 6 CO -0.02 -0.37 -0.06 0.95 0.00 0.00 0.00 175.76 176.26 3h7a s THR 7 N -1.35 3.31 -0.11 0.00 -4.23 0.01 -2.17 115.64 111.10 3h7a s THR 7 Ca -0.05 -1.74 0.03 0.00 -1.18 0.00 0.00 61.69 58.75 3h7a s THR 7 Cb -0.00 -2.68 0.01 0.00 1.34 0.00 0.00 72.50 71.16 3h7a s THR 7 CO 0.04 -0.20 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.03 3h7a s VAL 8 N -1.93 1.80 -0.26 2.29 1.01 -0.80 -1.83 120.40 120.69 3h7a s VAL 8 Ca 0.27 -0.85 -0.14 0.00 0.00 0.00 0.00 61.98 61.26 3h7a s VAL 8 Cb -0.08 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 3h7a s VAL 8 CO 0.17 0.50 0.35 0.00 0.00 0.00 0.00 175.10 176.12 3h7a s ALA 9 N 0.65 3.56 -0.43 5.51 0.00 -0.05 -0.06 121.76 130.93 3h7a s ALA 9 Ca -0.13 -0.79 -0.06 0.00 0.00 0.00 0.00 51.96 50.99 3h7a s ALA 9 Cb -0.16 -2.66 0.11 0.00 0.00 0.00 0.00 23.12 20.41 3h7a s ALA 9 CO 0.03 -0.56 0.27 0.08 0.00 0.00 0.00 175.76 175.58 3h7a s VAL 10 N 1.85 3.74 -0.73 0.00 1.01 0.11 -0.50 120.40 125.87 3h7a s VAL 10 Ca 0.15 -1.89 -0.21 0.00 0.00 0.00 0.00 61.98 60.03 3h7a s VAL 10 Cb -0.15 -3.49 0.10 0.00 0.00 0.00 0.00 36.38 32.83 3h7a s VAL 10 CO 0.09 -0.71 0.97 -0.63 0.00 0.00 0.00 175.10 174.83 3h7a s ILE 11 N 1.26 4.53 0.00 2.22 1.01 -0.35 -1.27 121.20 128.60 3h7a s ILE 11 Ca 0.07 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.86 3h7a s ILE 11 Cb -0.24 -4.68 0.00 0.00 0.01 0.00 0.00 42.46 37.54 3h7a s ILE 11 CO -0.02 -1.42 0.00 0.61 0.00 0.00 0.00 174.94 174.11 3h7a n GLY 12 N 5.37 0.56 1.76 6.18 0.00 -0.18 -0.35 105.19 118.52 3h7a n GLY 12 Ca 0.04 -0.81 -0.00 0.00 0.00 0.00 0.00 46.02 45.24 3h7a n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h7a n ALA 13 N 0.00 4.01 -0.05 4.61 0.00 -0.42 -4.21 120.51 124.46 3h7a n ALA 13 Ca 0.00 -1.80 -0.13 0.00 0.00 0.00 0.00 53.44 51.50 3h7a n ALA 13 Cb 0.00 -1.17 -0.12 0.00 0.00 0.00 0.00 19.45 18.16 3h7a n ALA 13 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3h7a h GLY 14 N 3.55 -0.01 -0.68 0.00 0.00 -1.90 -3.31 103.07 100.72 3h7a h GLY 14 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.14 3h7a h GLY 14 CO 0.54 -0.00 0.23 2.09 0.00 0.00 0.00 176.54 179.39 3h7a n ASP 15 N -4.69 -0.71 -0.04 0.19 5.68 -1.26 -4.82 116.55 110.89 3h7a n ASP 15 Ca -0.09 -1.23 -0.09 0.00 -0.50 0.00 0.00 54.79 52.88 3h7a n ASP 15 Cb 0.40 -0.78 0.07 0.00 -1.14 0.00 0.00 41.12 39.66 3h7a n ASP 15 CO 0.00 0.00 0.00 1.88 -1.33 0.00 0.00 177.20 177.75 3h7a h TYR 16 N -1.95 0.81 0.48 2.11 0.05 -1.96 -1.92 116.97 114.58 3h7a h TYR 16 Ca -0.33 -0.24 -0.02 0.00 0.05 0.00 0.00 58.73 58.20 3h7a h TYR 16 Cb 0.94 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 38.50 3h7a h TYR 16 CO 0.00 0.97 -0.26 0.82 -1.05 0.00 0.00 178.16 178.64 3h7a h ILE 17 N 0.56 0.47 -0.58 -2.88 2.04 -1.94 -0.30 117.51 114.89 3h7a h ILE 17 Ca 0.05 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.96 3h7a h ILE 17 Cb 0.92 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 37.42 3h7a h ILE 17 CO 0.08 0.00 0.31 1.23 0.00 0.00 0.00 178.15 179.77 3h7a h GLY 18 N -0.68 0.83 0.96 5.37 0.00 -1.72 -0.39 103.07 107.44 3h7a h GLY 18 Ca -0.06 -0.21 0.02 0.00 0.00 0.00 0.00 47.33 47.07 3h7a h GLY 18 CO 0.08 0.13 0.46 0.00 0.00 0.00 0.00 176.54 177.22 3h7a h ALA 19 N 1.31 0.91 -0.67 3.60 0.00 -1.27 -1.78 119.26 121.35 3h7a h ALA 19 Ca 0.26 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3h7a h ALA 19 Cb 0.16 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3h7a h ALA 19 CO -0.17 0.29 0.25 0.93 0.00 0.00 0.00 179.25 180.54 3h7a h GLU 20 N 0.93 1.02 -0.54 0.00 4.39 -0.26 -0.35 114.58 119.77 3h7a h GLU 20 Ca 0.27 -0.20 0.01 0.00 0.34 0.00 0.00 59.36 59.78 3h7a h GLU 20 Cb -0.06 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.40 3h7a h GLU 20 CO -0.08 0.87 0.36 0.82 -1.16 0.00 0.00 179.01 179.82 3h7a h ILE 21 N 0.97 1.14 -0.10 3.13 2.04 -0.90 0.68 117.51 124.46 3h7a h ILE 21 Ca 0.22 -0.25 0.01 0.00 1.00 0.00 0.00 64.86 65.84 3h7a h ILE 21 Cb 0.24 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 3h7a h ILE 21 CO -0.01 0.13 0.02 0.00 0.00 0.00 0.00 178.15 178.29 3h7a h ALA 22 N 1.20 0.10 -0.21 1.87 0.00 -1.03 -2.12 119.26 119.07 3h7a h ALA 22 Ca 0.20 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.18 3h7a h ALA 22 Cb -0.08 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 3h7a h ALA 22 CO -0.04 -0.45 -0.13 0.87 0.00 0.00 0.00 179.25 179.50 3h7a h LYS 23 N 0.06 -0.12 0.00 0.00 1.57 -0.70 -1.74 116.57 115.64 3h7a h LYS 23 Ca 0.04 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3h7a h LYS 23 Cb 0.04 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 3h7a h LYS 23 CO -0.06 -0.08 -0.06 -0.22 -0.57 0.00 0.00 179.45 178.46 3h7a h LYS 24 N -0.12 -0.10 0.00 3.15 1.63 -0.68 0.15 116.57 120.60 3h7a h LYS 24 Ca 0.12 0.01 -0.11 0.00 -0.85 0.00 0.00 60.65 59.81 3h7a h LYS 24 Cb 0.30 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.93 3h7a h LYS 24 CO -0.28 -0.06 -0.54 0.74 -3.45 0.00 0.00 179.45 175.85 3h7a h PHE 25 N -0.10 0.00 -0.16 1.91 0.04 -1.35 -2.05 116.94 115.23 3h7a h PHE 25 Ca 0.02 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 3h7a h PHE 25 Cb 0.13 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.27 3h7a h PHE 25 CO -0.13 0.54 -0.03 0.00 -0.60 0.00 0.00 178.31 178.09 3h7a h ALA 26 N 1.46 0.22 -0.54 2.45 0.00 -1.09 -2.13 119.26 119.63 3h7a h ALA 26 Ca -0.01 -0.23 0.16 0.00 0.00 0.00 0.00 54.91 54.83 3h7a h ALA 26 Cb 1.00 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3h7a h ALA 26 CO 0.07 -0.03 0.39 0.00 0.00 0.00 0.00 179.25 179.68 3h7a h ALA 27 N 0.72 2.50 -0.36 0.00 0.00 -0.48 0.19 119.26 121.82 3h7a h ALA 27 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3h7a h ALA 27 Cb 0.46 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3h7a h ALA 27 CO 0.01 -0.65 0.00 0.39 0.00 0.00 0.00 179.25 179.00 3h7a n GLU 28 N -4.38 1.84 -0.54 0.00 -0.58 -0.79 -4.95 120.64 111.25 3h7a n GLU 28 Ca 0.10 -1.30 0.00 0.00 -0.42 0.00 0.00 57.16 55.54 3h7a n GLU 28 Cb 0.61 -1.28 0.00 0.00 -0.57 0.00 0.00 31.44 30.20 3h7a n GLU 28 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h7a n GLY 29 N 1.07 0.71 3.84 0.62 0.00 0.65 -4.82 105.19 107.25 3h7a n GLY 29 Ca 0.12 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 3h7a n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h7a s PHE 30 N -2.00 3.58 -0.33 1.61 0.08 -0.81 -0.29 117.98 119.81 3h7a s PHE 30 Ca 0.00 1.19 -0.29 0.00 0.12 0.00 0.00 56.93 57.95 3h7a s PHE 30 Cb 0.00 -2.48 0.02 0.00 -0.57 0.00 0.00 43.02 39.99 3h7a s PHE 30 CO 0.00 0.34 1.13 0.99 -0.10 0.00 0.00 175.22 177.57 3h7a s THR 31 N -1.58 4.40 -0.18 0.64 2.01 -0.92 -4.17 115.64 115.83 3h7a s THR 31 Ca 0.43 1.59 -0.19 0.00 0.31 0.00 0.00 61.69 63.83 3h7a s THR 31 Cb -0.15 -4.39 -0.03 0.00 0.01 0.00 0.00 72.50 67.94 3h7a s THR 31 CO 0.20 -0.54 0.53 -0.69 -0.69 0.00 0.00 174.62 173.42 3h7a s VAL 32 N 3.89 5.11 -0.39 3.82 1.01 0.05 -1.91 120.40 131.98 3h7a s VAL 32 Ca 0.48 0.99 -0.18 0.00 0.00 0.00 0.00 61.98 63.28 3h7a s VAL 32 Cb -0.12 -3.85 0.01 0.00 0.00 0.00 0.00 36.38 32.41 3h7a s VAL 32 CO 0.19 0.20 0.47 -0.36 0.00 0.00 0.00 175.10 175.60 3h7a s PHE 33 N 1.47 3.17 -0.12 5.22 0.40 0.91 -0.16 117.98 128.86 3h7a s PHE 33 Ca 0.25 -0.10 -0.02 0.00 -0.60 0.00 0.00 56.93 56.46 3h7a s PHE 33 Cb -0.15 -2.92 -0.03 0.00 0.51 0.00 0.00 43.02 40.43 3h7a s PHE 33 CO 0.10 -0.62 -0.04 0.00 0.70 0.00 0.00 175.22 175.36 3h7a s ALA 34 N 2.28 3.04 -0.03 5.36 0.00 -0.63 0.07 121.76 131.84 3h7a s ALA 34 Ca 0.15 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.30 3h7a s ALA 34 Cb -0.16 -1.45 0.01 0.00 0.00 0.00 0.00 23.12 21.51 3h7a s ALA 34 CO 0.14 0.37 -0.08 0.20 0.00 0.00 0.00 175.76 176.38 3h7a s GLY 35 N -0.14 0.52 0.21 0.00 0.00 -0.40 -1.55 107.32 105.96 3h7a s GLY 35 Ca 0.03 -0.28 -0.04 0.00 0.00 0.00 0.00 44.72 44.42 3h7a s GLY 35 CO 0.02 0.01 0.22 1.09 0.00 0.00 0.00 173.10 174.45 3h7a s ARG 36 N 0.33 1.29 0.02 2.90 1.70 -1.18 -1.01 118.95 123.00 3h7a s ARG 36 Ca -0.05 -1.53 -0.08 0.00 -0.47 0.00 0.00 55.73 53.60 3h7a s ARG 36 Cb -0.10 0.32 -0.04 0.00 -0.57 0.00 0.00 34.95 34.57 3h7a s ARG 36 CO 0.01 -0.46 1.12 -0.09 -1.08 0.00 0.00 175.30 174.80 3h7a h ARG 37 N 2.52 -0.21 -5.36 3.89 2.43 -1.83 0.23 114.38 116.05 3h7a h ARG 37 Ca -0.33 0.01 -0.67 0.00 -0.81 0.00 0.00 59.98 58.18 3h7a h ARG 37 Cb 1.25 0.05 -0.15 0.00 -0.42 0.00 0.00 29.97 30.70 3h7a h ARG 37 CO 0.48 -0.14 1.19 1.21 -1.51 0.00 0.00 179.97 181.21 3h7a s ASN 38 N -2.72 6.67 0.00 -3.80 3.84 -1.26 -3.55 114.94 114.11 3h7a s ASN 38 Ca -0.04 -2.03 0.12 0.00 0.21 0.00 0.00 52.86 51.12 3h7a s ASN 38 Cb 0.01 -2.46 0.51 0.00 -0.55 0.00 0.00 41.25 38.76 3h7a s ASN 38 CO 0.13 -1.16 1.37 0.61 -2.79 0.00 0.00 177.10 175.27 3h7a n GLY 39 N 5.71 -0.89 0.19 1.21 0.00 -1.24 -2.03 105.19 108.13 3h7a n GLY 39 Ca 0.30 -0.04 -0.04 0.00 0.00 0.00 0.00 46.02 46.24 3h7a n GLY 39 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h7a h GLU 40 N 0.00 0.26 0.00 1.61 3.07 -1.92 -2.97 114.58 114.62 3h7a h GLU 40 Ca 0.00 -0.15 0.00 0.00 -0.50 0.00 0.00 59.36 58.71 3h7a h GLU 40 Cb 0.20 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.12 3h7a h GLU 40 CO 0.00 0.70 0.00 1.63 -1.40 0.00 0.00 179.01 179.94 3h7a n LYS 41 N -3.96 0.24 0.01 2.33 5.02 -0.86 -1.82 118.16 119.12 3h7a n LYS 41 Ca -0.02 0.13 0.13 0.00 -2.02 0.00 0.00 58.31 56.53 3h7a n LYS 41 Cb 0.54 -1.50 0.48 0.00 -0.02 0.00 0.00 35.03 34.54 3h7a n LYS 41 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3h7a n LEU 42 N -1.22 0.22 -0.34 -0.35 4.77 -1.12 -4.32 117.00 114.63 3h7a n LEU 42 Ca 0.07 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 3h7a n LEU 42 Cb 0.09 -0.40 0.14 0.00 -2.33 0.00 0.00 43.42 40.92 3h7a n LEU 42 CO 0.09 0.03 1.24 0.00 -1.33 0.00 0.00 177.39 177.42 3h7a h ALA 43 N 2.96 1.26 -0.43 -1.18 0.00 -1.56 -0.42 119.26 119.89 3h7a h ALA 43 Ca 0.00 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.96 3h7a h ALA 43 Cb 0.52 -0.31 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 3h7a h ALA 43 CO 0.00 0.43 0.01 -1.35 0.00 0.00 0.00 179.25 178.35 3h7a h PRO 44 N 1.14 0.12 -0.35 0.00 0.11 -1.84 -1.98 132.00 129.20 3h7a h PRO 44 Ca 0.39 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.49 3h7a h PRO 44 Cb 0.07 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.14 3h7a h PRO 44 CO -0.14 0.08 0.22 1.25 -0.21 0.00 0.00 178.00 179.19 3h7a h LEU 45 N 0.13 0.42 -0.44 2.35 5.85 -1.64 -2.44 115.31 119.54 3h7a h LEU 45 Ca 0.21 -0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.93 3h7a h LEU 45 Cb 0.30 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 3h7a h LEU 45 CO -0.34 0.34 0.18 0.58 -0.34 0.00 0.00 178.44 178.86 3h7a h VAL 46 N 0.46 0.90 -0.40 1.05 2.07 -1.03 -1.17 116.25 118.14 3h7a h VAL 46 Ca 0.13 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3h7a h VAL 46 Cb -0.00 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 3h7a h VAL 46 CO -0.02 0.07 0.21 0.00 0.02 0.00 0.00 177.57 177.84 3h7a h ALA 47 N 1.27 0.51 -0.40 1.67 0.00 -1.20 0.36 119.26 121.46 3h7a h ALA 47 Ca 0.20 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3h7a h ALA 47 Cb 0.16 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3h7a h ALA 47 CO -0.18 0.05 0.15 1.49 0.00 0.00 0.00 179.25 180.76 3h7a h GLU 48 N 0.51 0.61 -0.48 0.00 4.81 -1.29 0.99 114.58 119.72 3h7a h GLU 48 Ca 0.14 -0.12 -0.13 0.00 -0.13 0.00 0.00 59.36 59.12 3h7a h GLU 48 Cb 0.08 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 3h7a h GLU 48 CO -0.02 0.58 -0.22 0.82 -0.73 0.00 0.00 179.01 179.44 3h7a h ILE 49 N 0.50 1.27 0.01 2.32 2.04 -1.04 -2.24 117.51 120.37 3h7a h ILE 49 Ca 0.13 -1.39 -0.19 0.00 1.00 0.00 0.00 64.86 64.41 3h7a h ILE 49 Cb 0.21 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 3h7a h ILE 49 CO -0.01 0.48 -0.92 -0.33 0.00 0.00 0.00 178.15 177.37 3h7a h GLU 50 N 0.86 0.03 0.00 2.37 5.08 -0.84 0.67 114.58 122.74 3h7a h GLU 50 Ca 0.11 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 3h7a h GLU 50 Cb 0.81 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 3h7a h GLU 50 CO 0.07 0.92 -0.32 0.00 -1.00 0.00 0.00 179.01 178.68 3h7a h ALA 51 N 1.06 1.22 -0.00 3.43 0.00 -0.81 -2.03 119.26 122.13 3h7a h ALA 51 Ca -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3h7a h ALA 51 Cb 1.61 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.35 3h7a h ALA 51 CO 0.12 0.40 -0.01 0.00 0.00 0.00 0.00 179.25 179.76 3h7a n ALA 52 N -2.37 2.62 -0.37 0.00 0.00 -0.85 -4.91 120.51 114.64 3h7a n ALA 52 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3h7a n ALA 52 Cb 0.41 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.39 3h7a n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h7a n GLY 53 N 1.14 0.81 3.97 0.00 0.00 -0.76 -5.07 105.19 105.28 3h7a n GLY 53 Ca 0.19 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 3h7a n GLY 53 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h7a s GLY 54 N -2.01 1.39 -0.18 -0.02 0.00 0.21 -4.98 107.32 101.72 3h7a s GLY 54 Ca 0.00 -1.22 -0.06 0.00 0.00 0.00 0.00 44.72 43.44 3h7a s GLY 54 CO 0.00 -1.17 0.03 0.50 0.00 0.00 0.00 173.10 172.46 3h7a s ARG 55 N -4.17 3.83 -0.05 2.90 0.52 -1.26 -3.77 118.95 116.94 3h7a s ARG 55 Ca 0.40 -0.42 -0.03 0.00 -0.52 0.00 0.00 55.73 55.16 3h7a s ARG 55 Cb -0.09 -3.13 0.03 0.00 0.52 0.00 0.00 34.95 32.27 3h7a s ARG 55 CO 0.32 0.20 0.13 -1.50 0.02 0.00 0.00 175.30 174.46 3h7a s ILE 56 N 0.55 -0.03 -0.30 1.52 2.07 -1.26 -0.77 121.20 122.98 3h7a s ILE 56 Ca 0.01 0.11 -0.04 0.00 -1.41 0.00 0.00 60.65 59.32 3h7a s ILE 56 Cb -0.13 -0.20 0.03 0.00 0.13 0.00 0.00 42.46 42.29 3h7a s ILE 56 CO 0.02 0.05 0.03 -0.69 -1.91 0.00 0.00 174.94 172.43 3h7a s VAL 57 N 0.72 3.37 -0.03 4.00 1.01 0.77 -4.93 120.40 125.30 3h7a s VAL 57 Ca -0.05 -1.09 -0.18 0.00 0.00 0.00 0.00 61.98 60.66 3h7a s VAL 57 Cb -0.07 -2.84 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 3h7a s VAL 57 CO -0.03 -0.02 0.49 0.00 0.00 0.00 0.00 175.10 175.54 3h7a s ALA 58 N 1.36 3.57 0.02 5.51 0.00 -1.26 -1.61 121.76 129.35 3h7a s ALA 58 Ca -0.01 -0.13 0.01 0.00 0.00 0.00 0.00 51.96 51.82 3h7a s ALA 58 Cb -0.18 -2.57 -0.02 0.00 0.00 0.00 0.00 23.12 20.35 3h7a s ALA 58 CO -0.00 0.24 -0.04 1.03 0.00 0.00 0.00 175.76 176.99 3h7a s ARG 59 N -0.32 0.35 0.31 0.00 0.52 -0.60 -4.98 118.95 114.23 3h7a s ARG 59 Ca 0.26 -0.53 -0.28 0.00 -0.52 0.00 0.00 55.73 54.66 3h7a s ARG 59 Cb -0.17 -0.09 -0.09 0.00 0.52 0.00 0.00 34.95 35.12 3h7a s ARG 59 CO 0.14 0.01 1.07 -1.12 0.02 0.00 0.00 175.30 175.41 3h7a s SER 60 N -1.17 7.17 -0.29 0.23 0.01 -1.26 -3.09 113.70 115.30 3h7a s SER 60 Ca -0.10 2.19 -0.10 0.00 1.31 0.00 0.00 55.95 59.25 3h7a s SER 60 Cb -0.08 -2.62 0.12 0.00 0.21 0.00 0.00 66.02 63.66 3h7a s SER 60 CO -0.00 -0.20 0.62 -0.22 0.41 0.00 0.00 173.24 173.85 3h7a s LEU 61 N -1.72 -1.08 -0.35 2.44 2.96 0.79 -4.86 118.68 116.86 3h7a s LEU 61 Ca 0.47 1.51 -0.16 0.00 -0.22 0.00 0.00 54.13 55.73 3h7a s LEU 61 Cb -0.29 2.20 -0.01 0.00 0.50 0.00 0.00 46.19 48.59 3h7a s LEU 61 CO 0.37 -0.22 0.39 -0.62 -1.32 0.00 0.00 176.35 174.95 3h7a s ASP 62 N 2.82 6.20 0.48 3.68 -1.08 -1.26 -2.62 116.67 124.88 3h7a s ASP 62 Ca -0.06 -0.26 0.27 0.00 -0.52 0.00 0.00 52.55 51.98 3h7a s ASP 62 Cb -0.12 -2.21 0.92 0.00 -1.46 0.00 0.00 42.92 40.05 3h7a s ASP 62 CO -0.18 -0.39 1.82 0.00 0.52 0.00 0.00 175.17 176.94 3h7a h ALA 63 N 8.49 0.98 0.00 3.66 0.00 -1.95 -2.39 119.26 128.06 3h7a h ALA 63 Ca -0.29 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 3h7a h ALA 63 Cb 1.14 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 3h7a h ALA 63 CO 0.72 0.13 -0.01 0.00 0.00 0.00 0.00 179.25 180.09 3h7a h ARG 64 N 0.00 0.00 -5.87 0.00 3.08 -1.88 -3.40 114.38 106.31 3h7a h ARG 64 Ca -0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 3h7a h ARG 64 Cb 0.75 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.68 3h7a h ARG 64 CO 0.01 0.01 0.52 1.21 -1.07 0.00 0.00 179.97 180.65 3h7a s ASN 65 N -6.59 6.37 0.52 7.04 3.84 -0.90 -4.84 114.94 120.39 3h7a s ASN 65 Ca -0.05 -0.26 0.22 0.00 0.21 0.00 0.00 52.86 52.98 3h7a s ASN 65 Cb 0.16 -2.43 1.41 0.00 -0.55 0.00 0.00 41.25 39.84 3h7a s ASN 65 CO 0.61 -1.15 2.13 1.05 -2.79 0.00 0.00 177.10 176.95 3h7a h GLU 66 N 9.22 0.00 -0.11 0.43 9.09 -1.86 -2.07 114.58 129.28 3h7a h GLU 66 Ca -0.26 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.07 3h7a h GLU 66 Cb 1.08 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.18 3h7a h GLU 66 CO 1.06 0.07 -0.25 -0.44 0.05 0.00 0.00 179.01 179.50 3h7a h ASP 67 N 0.00 0.41 -0.73 3.06 3.32 -1.94 -1.98 116.42 118.56 3h7a h ASP 67 Ca -0.00 -0.57 -0.03 0.00 0.02 0.00 0.00 57.03 56.45 3h7a h ASP 67 Cb 0.14 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 3h7a h ASP 67 CO 0.01 0.91 0.35 -0.33 -1.72 0.00 0.00 179.24 178.45 3h7a h GLU 68 N -0.07 1.05 -0.02 3.56 5.08 -1.79 -0.15 114.58 122.24 3h7a h GLU 68 Ca 0.00 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3h7a h GLU 68 Cb 0.85 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 3h7a h GLU 68 CO 0.05 0.82 0.01 0.28 -1.00 0.00 0.00 179.01 179.18 3h7a h VAL 69 N 1.02 1.05 -0.64 3.13 2.07 -1.39 0.19 116.25 121.67 3h7a h VAL 69 Ca 0.25 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 67.66 3h7a h VAL 69 Cb 0.12 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 3h7a h VAL 69 CO -0.03 0.04 0.39 0.74 0.02 0.00 0.00 177.57 178.72 3h7a h THR 70 N -0.03 1.05 -0.47 2.57 2.02 -1.20 -0.72 112.91 116.12 3h7a h THR 70 Ca 0.01 -0.26 -0.04 0.00 0.77 0.00 0.00 66.41 66.88 3h7a h THR 70 Cb 0.06 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 66.68 3h7a h THR 70 CO -0.00 0.14 0.12 0.00 0.37 0.00 0.00 175.52 176.15 3h7a h ALA 71 N 1.29 0.63 -0.12 6.16 0.00 -0.78 0.64 119.26 127.08 3h7a h ALA 71 Ca 0.27 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3h7a h ALA 71 Cb 0.07 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3h7a h ALA 71 CO -0.12 0.31 -0.08 0.35 0.00 0.00 0.00 179.25 179.70 3h7a h PHE 72 N 0.64 -0.20 -0.36 0.00 3.57 -0.24 -0.66 116.94 119.69 3h7a h PHE 72 Ca 0.15 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.50 3h7a h PHE 72 Cb 0.32 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.16 3h7a h PHE 72 CO 0.02 -0.13 -0.41 -0.07 -2.23 0.00 0.00 178.31 175.49 3h7a h LEU 73 N -0.09 0.97 -1.09 0.59 3.38 -1.04 -1.96 115.31 116.08 3h7a h LEU 73 Ca 0.08 -0.48 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 3h7a h LEU 73 Cb 0.20 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 3h7a h LEU 73 CO -0.18 1.26 0.50 0.78 0.09 0.00 0.00 178.44 180.89 3h7a h ASN 74 N 0.71 0.99 -0.18 -0.43 2.35 -0.79 -1.95 115.58 116.27 3h7a h ASN 74 Ca 0.05 -0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3h7a h ASN 74 Cb 1.00 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 39.12 3h7a h ASN 74 CO 0.10 0.76 0.02 0.00 -1.65 0.00 0.00 177.43 176.65 3h7a h ALA 75 N 1.41 0.24 -0.31 -0.83 0.00 -0.90 -1.10 119.26 117.78 3h7a h ALA 75 Ca 0.30 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.08 3h7a h ALA 75 Cb -0.05 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 3h7a h ALA 75 CO -0.06 -0.07 -0.08 0.00 0.00 0.00 0.00 179.25 179.05 3h7a h ALA 76 N 0.80 0.21 0.00 0.00 0.00 -1.28 -1.62 119.26 117.37 3h7a h ALA 76 Ca 0.05 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3h7a h ALA 76 Cb 0.35 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3h7a h ALA 76 CO 0.01 -0.46 -0.19 0.22 0.00 0.00 0.00 179.25 178.82 3h7a h ASP 77 N 0.00 0.00 0.54 0.00 3.58 -1.19 -2.60 116.42 116.75 3h7a h ASP 77 Ca 0.15 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.41 3h7a h ASP 77 Cb 0.23 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 3h7a h ASP 77 CO -0.32 0.19 -0.82 0.00 -2.88 0.00 0.00 179.24 175.41 3h7a h ALA 78 N 1.81 0.58 -0.05 -0.78 0.00 -0.39 -3.30 119.26 117.13 3h7a h ALA 78 Ca -0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 3h7a h ALA 78 Cb 0.49 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3h7a h ALA 78 CO 0.03 0.88 -0.01 1.25 0.00 0.00 0.00 179.25 181.40 3h7a h HIS 79 N 0.12 0.10 -2.00 0.00 -0.00 -0.97 -3.47 115.15 108.93 3h7a h HIS 79 Ca -0.04 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.31 3h7a h HIS 79 Cb 1.43 -0.03 -0.19 0.00 -0.00 0.00 0.00 27.41 28.62 3h7a h HIS 79 CO 0.03 0.40 0.31 0.00 -0.00 0.00 0.00 177.93 178.67 3h7a s ALA 80 N -4.85 -1.80 0.04 5.26 0.00 -1.01 -5.01 121.76 114.39 3h7a s ALA 80 Ca -0.15 1.29 -0.37 0.00 0.00 0.00 0.00 51.96 52.72 3h7a s ALA 80 Cb 0.04 -0.07 -0.17 0.00 0.00 0.00 0.00 23.12 22.92 3h7a s ALA 80 CO 0.69 -0.42 1.35 -2.30 0.00 0.00 0.00 175.76 175.08 3h7a n PRO 81 N 0.66 1.02 -2.54 0.00 -0.02 -1.25 -3.81 135.00 129.05 3h7a n PRO 81 Ca -0.16 0.37 -0.43 0.00 -2.02 0.00 0.00 63.50 61.26 3h7a n PRO 81 Cb 0.58 -2.00 -0.02 0.00 -0.02 0.00 0.00 33.50 32.04 3h7a n PRO 81 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3h7a s LEU 82 N 0.73 4.12 -0.07 2.45 2.96 -1.26 -0.81 118.68 126.80 3h7a s LEU 82 Ca 0.87 1.49 0.07 0.00 -0.22 0.00 0.00 54.13 56.34 3h7a s LEU 82 Cb -1.00 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 42.05 3h7a s LEU 82 CO 0.50 -0.74 0.05 -0.62 -1.32 0.00 0.00 176.35 174.21 3h7a n GLU 83 N 6.53 2.36 -3.86 1.98 1.02 -0.76 -4.65 120.64 123.26 3h7a n GLU 83 Ca 0.13 -0.01 -0.15 0.00 -0.02 0.00 0.00 57.16 57.10 3h7a n GLU 83 Cb 0.46 -1.20 -0.16 0.00 -0.02 0.00 0.00 31.44 30.52 3h7a n GLU 83 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h7a s VAL 84 N -2.25 0.05 -0.10 2.62 1.01 -1.22 -0.48 120.40 120.05 3h7a s VAL 84 Ca -0.04 0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.09 3h7a s VAL 84 Cb 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 36.38 36.25 3h7a s VAL 84 CO 0.32 0.09 -0.20 -0.89 0.00 0.00 0.00 175.10 174.43 3h7a s THR 85 N 0.81 2.44 -0.24 3.92 2.01 -0.08 -0.87 115.64 123.63 3h7a s THR 85 Ca -0.07 -0.90 -0.01 0.00 0.31 0.00 0.00 61.69 61.02 3h7a s THR 85 Cb -0.10 -1.96 0.03 0.00 0.01 0.00 0.00 72.50 70.48 3h7a s THR 85 CO -0.02 0.55 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.74 3h7a s ILE 86 N 0.15 2.63 -0.29 1.82 1.09 0.34 -0.08 121.20 126.87 3h7a s ILE 86 Ca -0.11 -1.08 -0.17 0.00 -1.10 0.00 0.00 60.65 58.19 3h7a s ILE 86 Cb -0.16 -2.32 -0.02 0.00 -1.06 0.00 0.00 42.46 38.90 3h7a s ILE 86 CO 0.06 0.24 0.48 0.12 -0.10 0.00 0.00 174.94 175.75 3h7a s PHE 87 N 1.29 3.23 -0.40 3.97 5.36 0.28 -1.22 117.98 130.49 3h7a s PHE 87 Ca -0.00 0.44 0.11 0.00 -0.96 0.00 0.00 56.93 56.51 3h7a s PHE 87 Cb -0.16 -2.76 0.33 0.00 -0.34 0.00 0.00 43.02 40.09 3h7a s PHE 87 CO -0.06 -0.35 0.72 -1.71 -1.46 0.00 0.00 175.22 172.35 3h7a n ASN 88 N 5.56 1.14 -4.07 6.13 5.15 0.52 -1.39 115.26 128.31 3h7a n ASN 88 Ca -0.05 -3.04 -0.33 0.00 -0.60 0.00 0.00 54.58 50.57 3h7a n ASN 88 Cb 0.50 -0.62 -0.14 0.00 -0.53 0.00 0.00 39.78 38.99 3h7a n ASN 88 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3h7a s VAL 89 N -2.44 2.51 0.74 3.44 1.01 -1.26 -4.40 120.40 120.01 3h7a s VAL 89 Ca 0.40 -2.02 -0.06 0.00 0.00 0.00 0.00 61.98 60.30 3h7a s VAL 89 Cb 0.31 -2.69 0.16 0.00 0.00 0.00 0.00 36.38 34.16 3h7a s VAL 89 CO -0.09 -0.42 1.01 0.61 0.00 0.00 0.00 175.10 176.21 3h7a n GLY 90 N 4.40 -0.18 1.91 4.51 0.00 -1.26 -4.56 105.19 110.01 3h7a n GLY 90 Ca -0.03 -1.90 -0.01 0.00 0.00 0.00 0.00 46.02 44.08 3h7a n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h7a n ALA 91 N -3.25 -1.55 -1.63 4.61 0.00 -1.26 -4.80 120.51 112.63 3h7a n ALA 91 Ca -0.17 -0.21 -0.41 0.00 0.00 0.00 0.00 53.44 52.65 3h7a n ALA 91 Cb 0.53 -0.66 -0.03 0.00 0.00 0.00 0.00 19.45 19.28 3h7a n ALA 91 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3h7a s ASN 92 N -0.17 5.15 0.08 0.00 3.84 -1.26 -4.87 114.94 117.72 3h7a s ASN 92 Ca 0.02 1.56 0.05 0.00 0.21 0.00 0.00 52.86 54.70 3h7a s ASN 92 Cb 0.06 -2.51 -0.03 0.00 -0.55 0.00 0.00 41.25 38.22 3h7a s ASN 92 CO -0.02 -2.25 -0.13 0.68 -2.79 0.00 0.00 177.10 172.59 3h7a s VAL 93 N 9.47 1.11 -0.08 -5.21 -7.23 -1.26 -5.15 120.40 112.04 3h7a s VAL 93 Ca 0.98 -1.43 0.00 0.00 -1.81 0.00 0.00 61.98 59.71 3h7a s VAL 93 Cb -0.27 -1.19 0.02 0.00 0.56 0.00 0.00 36.38 35.50 3h7a s VAL 93 CO 0.32 -0.32 -0.06 0.21 -0.31 0.00 0.00 175.10 174.94 3h7a s ASN 94 N -1.99 1.73 -0.05 4.85 3.84 -1.26 -4.59 114.94 117.48 3h7a s ASN 94 Ca 0.01 -0.22 -0.02 0.00 0.21 0.00 0.00 52.86 52.84 3h7a s ASN 94 Cb -0.08 -0.67 0.03 0.00 -0.55 0.00 0.00 41.25 39.98 3h7a s ASN 94 CO 0.02 -0.10 0.11 -0.36 -2.79 0.00 0.00 177.10 173.98 3h7a s PHE 95 N 1.45 -0.11 0.71 0.43 0.08 0.39 -5.02 117.98 115.92 3h7a s PHE 95 Ca -0.01 0.35 -0.16 0.00 0.12 0.00 0.00 56.93 57.22 3h7a s PHE 95 Cb -0.13 -0.08 -0.05 0.00 -0.57 0.00 0.00 43.02 42.19 3h7a s PHE 95 CO -0.04 -0.12 0.45 -2.30 -0.10 0.00 0.00 175.22 173.12 3h7a n PRO 96 N 3.86 0.28 -0.15 0.24 -0.02 -1.26 -4.19 135.00 133.76 3h7a n PRO 96 Ca -0.23 0.13 0.07 0.00 -2.02 0.00 0.00 63.50 61.45 3h7a n PRO 96 Cb 0.54 -1.76 0.37 0.00 -0.02 0.00 0.00 33.50 32.64 3h7a n PRO 96 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3h7a h ILE 97 N -0.36 1.02 0.00 4.25 6.09 -1.95 -0.73 117.51 125.83 3h7a h ILE 97 Ca -0.45 -0.24 -0.10 0.00 -1.37 0.00 0.00 64.86 62.70 3h7a h ILE 97 Cb 1.35 0.26 -0.01 0.00 0.47 0.00 0.00 36.82 38.89 3h7a h ILE 97 CO 0.42 0.13 -0.48 -0.07 -3.07 0.00 0.00 178.15 175.07 3h7a h LEU 98 N 0.70 0.00 -2.57 2.19 3.38 -2.03 -2.68 115.31 114.30 3h7a h LEU 98 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3h7a h LEU 98 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3h7a h LEU 98 CO -0.09 0.48 0.00 -0.62 0.09 0.00 0.00 178.44 178.30 3h7a n GLU 99 N -3.53 3.12 -3.24 1.13 1.02 -0.35 -4.79 120.64 114.01 3h7a n GLU 99 Ca -0.00 -2.33 -0.44 0.00 -0.02 0.00 0.00 57.16 54.37 3h7a n GLU 99 Cb 0.59 -1.74 -0.06 0.00 -0.02 0.00 0.00 31.44 30.21 3h7a n GLU 99 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3h7a s THR 100 N -1.70 5.01 0.65 2.62 2.01 -0.78 -4.76 115.64 118.69 3h7a s THR 100 Ca 0.42 -0.81 -0.11 0.00 0.31 0.00 0.00 61.69 61.49 3h7a s THR 100 Cb 0.26 -4.27 -0.02 0.00 0.01 0.00 0.00 72.50 68.48 3h7a s THR 100 CO 0.21 -0.78 1.04 0.42 -0.69 0.00 0.00 174.62 174.83 3h7a s THR 101 N 2.24 4.36 0.24 -0.82 -4.23 -1.26 -4.90 115.64 111.28 3h7a s THR 101 Ca 0.10 0.80 -0.04 0.00 -1.18 0.00 0.00 61.69 61.37 3h7a s THR 101 Cb -0.22 -3.63 0.21 0.00 1.34 0.00 0.00 72.50 70.19 3h7a s THR 101 CO 0.09 -0.97 1.76 0.44 -0.54 0.00 0.00 174.62 175.40 3h7a h ASP 102 N -0.40 0.45 -0.30 3.99 5.19 -1.99 -1.90 116.42 121.45 3h7a h ASP 102 Ca -0.44 0.08 0.01 0.00 -0.62 0.00 0.00 57.03 56.06 3h7a h ASP 102 Cb 1.20 0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.71 3h7a h ASP 102 CO 0.59 0.22 0.19 -0.09 -3.12 0.00 0.00 179.24 177.03 3h7a h ARG 103 N 0.58 0.38 -0.20 3.56 2.43 -1.99 -1.53 114.38 117.60 3h7a h ARG 103 Ca 0.40 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.51 3h7a h ARG 103 Cb 0.52 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 3h7a h ARG 103 CO -0.33 0.25 -0.03 0.28 -1.51 0.00 0.00 179.97 178.63 3h7a h VAL 104 N 0.39 1.27 -0.37 0.20 2.07 -1.82 -0.70 116.25 117.28 3h7a h VAL 104 Ca 0.11 -0.96 0.01 0.00 0.82 0.00 0.00 66.70 66.68 3h7a h VAL 104 Cb -0.04 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 3h7a h VAL 104 CO -0.03 0.29 0.23 0.15 0.02 0.00 0.00 177.57 178.23 3h7a h PHE 105 N 0.11 0.43 -0.35 1.57 3.57 -1.32 -0.57 116.94 120.37 3h7a h PHE 105 Ca 0.05 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 3h7a h PHE 105 Cb 0.45 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 3h7a h PHE 105 CO 0.04 0.26 0.02 -0.09 -2.23 0.00 0.00 178.31 176.31 3h7a h ARG 106 N 0.46 0.61 -0.40 1.11 9.65 -1.24 -2.77 114.38 121.80 3h7a h ARG 106 Ca 0.15 -0.18 -0.02 0.00 -1.10 0.00 0.00 59.98 58.83 3h7a h ARG 106 Cb -0.01 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.49 3h7a h ARG 106 CO -0.06 0.71 0.19 -0.22 2.80 0.00 0.00 179.97 183.39 3h7a h LYS 107 N 0.43 0.59 -0.55 0.20 3.64 -0.80 -1.04 116.57 119.03 3h7a h LYS 107 Ca 0.10 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 3h7a h LYS 107 Cb 0.42 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 3h7a h LYS 107 CO 0.01 0.52 0.19 0.28 -2.27 0.00 0.00 179.45 178.19 3h7a h VAL 108 N 0.51 1.23 -0.74 2.00 2.07 -1.14 -0.26 116.25 119.92 3h7a h VAL 108 Ca 0.14 -0.75 0.03 0.00 0.82 0.00 0.00 66.70 66.94 3h7a h VAL 108 Cb 0.14 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 3h7a h VAL 108 CO -0.02 0.28 0.47 -0.25 0.02 0.00 0.00 177.57 178.08 3h7a h TRP 109 N 0.76 0.88 -0.55 1.57 7.01 -1.31 0.16 115.95 124.47 3h7a h TRP 109 Ca 0.18 0.02 -0.11 0.00 2.11 0.00 0.00 58.89 61.09 3h7a h TRP 109 Cb 0.24 -0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 26.99 3h7a h TRP 109 CO 0.01 0.52 -0.10 0.93 -2.79 0.00 0.00 178.44 177.01 3h7a h GLU 110 N 0.93 1.04 -0.04 2.65 5.08 -0.67 0.18 114.58 123.74 3h7a h GLU 110 Ca 0.29 -0.38 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 3h7a h GLU 110 Cb -0.01 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3h7a h GLU 110 CO -0.10 1.07 -0.18 0.52 -1.00 0.00 0.00 179.01 179.32 3h7a h MET 111 N 0.92 0.20 0.00 2.33 2.86 -0.87 -2.54 114.93 117.84 3h7a h MET 111 Ca 0.15 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3h7a h MET 111 Cb 0.67 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.36 3h7a h MET 111 CO 0.05 0.80 -1.40 0.00 1.06 0.00 0.00 176.91 177.42 3h7a n ALA 112 N -2.47 3.18 0.04 6.32 0.00 0.53 -4.44 120.51 123.67 3h7a n ALA 112 Ca -0.09 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 52.93 3h7a n ALA 112 Cb 0.43 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.29 3h7a n ALA 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h7a h TRP 114 N 0.00 -0.47 -0.57 0.00 2.91 -0.88 -0.07 115.95 116.87 3h7a h TRP 114 Ca 0.00 0.05 0.06 0.00 1.13 0.00 0.00 58.89 60.13 3h7a h TRP 114 Cb 0.00 0.28 -0.03 0.00 -0.51 0.00 0.00 29.16 28.89 3h7a h TRP 114 CO 0.00 -0.27 0.38 0.00 -1.03 0.00 0.00 178.44 177.52 3h7a h ALA 115 N 1.25 1.84 0.14 2.65 0.00 -1.65 -1.73 119.26 121.76 3h7a h ALA 115 Ca 0.22 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.81 3h7a h ALA 115 Cb 0.43 -0.14 0.03 0.00 0.00 0.00 0.00 17.79 18.11 3h7a h ALA 115 CO -0.52 0.06 -1.28 0.78 0.00 0.00 0.00 179.25 178.29 3h7a h GLY 116 N 0.54 0.67 0.49 0.00 0.00 -1.38 -1.25 103.07 102.13 3h7a h GLY 116 Ca 0.25 -1.44 0.06 0.00 0.00 0.00 0.00 47.33 46.19 3h7a h GLY 116 CO -0.07 1.27 -0.01 -2.75 0.00 0.00 0.00 176.54 174.98 3h7a h PHE 117 N 0.25 -0.04 -0.14 5.60 3.57 -0.65 0.27 116.94 125.79 3h7a h PHE 117 Ca -0.19 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.30 3h7a h PHE 117 Cb 1.96 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 40.76 3h7a h PHE 117 CO 0.11 -0.07 -0.02 0.28 -2.23 0.00 0.00 178.31 176.39 3h7a h VAL 118 N 0.08 1.27 -0.94 1.41 2.07 -1.33 0.46 116.25 119.27 3h7a h VAL 118 Ca 0.15 -0.90 0.10 0.00 0.82 0.00 0.00 66.70 66.87 3h7a h VAL 118 Cb 0.21 1.59 -0.07 0.00 -1.52 0.00 0.00 31.29 31.50 3h7a h VAL 118 CO -0.26 0.26 0.60 0.28 0.02 0.00 0.00 177.57 178.47 3h7a h SER 119 N -0.03 0.86 -0.03 0.57 0.02 -1.09 -1.20 113.55 112.66 3h7a h SER 119 Ca 0.04 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 3h7a h SER 119 Cb 0.41 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.80 3h7a h SER 119 CO 0.01 0.50 -0.07 1.23 -1.14 0.00 0.00 176.83 177.36 3h7a h GLY 120 N 0.95 0.11 0.97 -3.77 0.00 -0.24 -2.43 103.07 98.66 3h7a h GLY 120 Ca 0.44 -0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.64 3h7a h GLY 120 CO -0.20 0.12 0.13 -0.09 0.00 0.00 0.00 176.54 176.50 3h7a h ARG 121 N -0.45 0.27 -0.16 4.80 2.43 -0.76 -0.96 114.38 119.55 3h7a h ARG 121 Ca -0.00 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 58.98 3h7a h ARG 121 Cb 0.67 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 3h7a h ARG 121 CO 0.02 0.18 -0.60 0.93 -1.51 0.00 0.00 179.97 178.98 3h7a h GLU 122 N 0.28 0.53 -0.37 0.20 4.39 -1.32 -1.54 114.58 116.75 3h7a h GLU 122 Ca 0.08 -0.36 0.01 0.00 0.34 0.00 0.00 59.36 59.44 3h7a h GLU 122 Cb -0.02 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 3h7a h GLU 122 CO -0.03 0.97 0.22 0.77 -1.16 0.00 0.00 179.01 179.78 3h7a h SER 123 N 0.39 0.37 -0.71 1.42 0.02 -1.39 -2.22 113.55 111.43 3h7a h SER 123 Ca -0.00 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.99 3h7a h SER 123 Cb 1.15 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 63.57 3h7a h SER 123 CO 0.11 0.26 0.43 0.00 -1.14 0.00 0.00 176.83 176.49 3h7a h ALA 124 N 1.16 0.94 -0.14 3.77 0.00 -0.84 0.14 119.26 124.28 3h7a h ALA 124 Ca 0.14 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3h7a h ALA 124 Cb -0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3h7a h ALA 124 CO -0.06 0.16 -0.05 -0.09 0.00 0.00 0.00 179.25 179.21 3h7a h ARG 125 N 0.81 -0.03 -0.46 0.00 2.43 -1.06 0.17 114.38 116.24 3h7a h ARG 125 Ca 0.30 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.37 3h7a h ARG 125 Cb 0.10 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 3h7a h ARG 125 CO -0.14 -0.02 -0.12 -0.07 -1.51 0.00 0.00 179.97 178.11 3h7a h LEU 126 N -0.03 0.85 -0.04 3.80 3.38 -0.88 -3.26 115.31 119.12 3h7a h LEU 126 Ca 0.07 -0.26 -0.26 0.00 0.09 0.00 0.00 57.88 57.52 3h7a h LEU 126 Cb 0.14 -0.23 0.02 0.00 0.09 0.00 0.00 40.66 40.68 3h7a h LEU 126 CO -0.16 0.98 -1.03 0.24 0.09 0.00 0.00 178.44 178.55 3h7a h MET 127 N 0.77 0.61 0.00 1.13 2.86 -0.41 -3.21 114.93 116.67 3h7a h MET 127 Ca 0.12 -0.67 -0.04 0.00 -2.06 0.00 0.00 59.70 57.06 3h7a h MET 127 Cb 0.62 0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 3h7a h MET 127 CO 0.04 1.27 -0.18 -0.07 1.06 0.00 0.00 176.91 179.03 3h7a h LEU 128 N 0.34 0.00 -1.07 1.22 3.38 -1.05 0.13 115.31 118.26 3h7a h LEU 128 Ca -0.12 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 3h7a h LEU 128 Cb 1.69 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.42 3h7a h LEU 128 CO 0.20 0.18 -0.33 0.00 0.09 0.00 0.00 178.44 178.58 3h7a h ALA 129 N 1.82 1.22 0.00 1.53 0.00 -1.59 -2.84 119.26 119.39 3h7a h ALA 129 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3h7a h ALA 129 Cb 0.40 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3h7a h ALA 129 CO 0.02 0.52 -0.47 0.45 0.00 0.00 0.00 179.25 179.78 3h7a h HIS 130 N 0.22 0.00 0.00 0.00 3.86 -1.09 -3.48 115.15 114.65 3h7a h HIS 130 Ca 0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3h7a h HIS 130 Cb 0.69 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.16 3h7a h HIS 130 CO 0.01 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.21 3h7a n GLY 131 N 1.28 0.72 3.49 2.45 0.00 0.28 -5.01 105.19 108.40 3h7a n GLY 131 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 3h7a n GLY 131 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3h7a s GLN 132 N -0.27 1.05 0.00 1.61 -2.07 -1.13 -4.78 119.66 114.07 3h7a s GLN 132 Ca 0.00 -0.41 0.00 0.00 -1.82 0.00 0.00 55.36 53.13 3h7a s GLN 132 Cb 0.00 0.47 0.00 0.00 -1.09 0.00 0.00 33.01 32.39 3h7a s GLN 132 CO 0.00 -0.46 0.00 0.41 -1.32 0.00 0.00 175.29 173.92 3h7a n GLY 133 N -0.32 1.93 2.89 2.60 0.00 -1.17 -4.61 105.19 106.51 3h7a n GLY 133 Ca -0.12 -1.03 -0.18 0.00 0.00 0.00 0.00 46.02 44.69 3h7a n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h7a s LYS 134 N -2.00 0.62 -0.20 1.61 1.02 0.37 -1.04 119.74 120.13 3h7a s LYS 134 Ca 0.00 -0.09 0.01 0.00 0.02 0.00 0.00 55.97 55.90 3h7a s LYS 134 Cb 0.00 -0.66 0.05 0.00 -0.52 0.00 0.00 37.83 36.69 3h7a s LYS 134 CO 0.00 -0.04 -0.08 0.42 -0.92 0.00 0.00 175.35 174.73 3h7a s ILE 135 N 0.67 1.50 -0.09 2.17 1.01 -0.45 -0.90 121.20 125.11 3h7a s ILE 135 Ca -0.08 -0.95 0.04 0.00 0.00 0.00 0.00 60.65 59.66 3h7a s ILE 135 Cb -0.11 -1.63 -0.00 0.00 0.01 0.00 0.00 42.46 40.73 3h7a s ILE 135 CO -0.00 0.12 -0.23 -0.36 0.00 0.00 0.00 174.94 174.46 3h7a s PHE 136 N 1.45 2.56 -0.06 3.97 0.08 0.89 -1.49 117.98 125.37 3h7a s PHE 136 Ca -0.01 -0.97 0.03 0.00 0.12 0.00 0.00 56.93 56.09 3h7a s PHE 136 Cb -0.16 -1.70 -0.02 0.00 -0.57 0.00 0.00 43.02 40.56 3h7a s PHE 136 CO -0.08 -0.37 -0.14 -0.06 -0.10 0.00 0.00 175.22 174.47 3h7a s PHE 137 N 0.26 2.73 -0.26 0.36 0.08 -0.46 -0.56 117.98 120.12 3h7a s PHE 137 Ca -0.16 -0.22 -0.24 0.00 0.12 0.00 0.00 56.93 56.43 3h7a s PHE 137 Cb -0.17 -1.66 -0.00 0.00 -0.57 0.00 0.00 43.02 40.61 3h7a s PHE 137 CO 0.08 0.14 0.81 0.99 -0.10 0.00 0.00 175.22 177.14 3h7a s THR 138 N -0.58 4.83 0.51 0.64 2.01 -0.49 -1.09 115.64 121.47 3h7a s THR 138 Ca 0.08 1.43 0.07 0.00 0.31 0.00 0.00 61.69 63.58 3h7a s THR 138 Cb -0.11 -4.12 0.09 0.00 0.01 0.00 0.00 72.50 68.37 3h7a s THR 138 CO 0.01 -0.13 0.71 0.61 -0.69 0.00 0.00 174.62 175.13 3h7a n GLY 139 N 3.91 1.73 3.45 4.40 0.00 0.10 -4.86 105.19 113.93 3h7a n GLY 139 Ca 0.05 -2.18 -0.15 0.00 0.00 0.00 0.00 46.02 43.74 3h7a n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h7a s ALA 140 N -2.68 0.90 0.34 4.61 0.00 -1.26 -2.15 121.76 121.52 3h7a s ALA 140 Ca 0.52 -1.58 0.25 0.00 0.00 0.00 0.00 51.96 51.16 3h7a s ALA 140 Cb -0.04 1.21 1.25 0.00 0.00 0.00 0.00 23.12 25.54 3h7a s ALA 140 CO 0.33 -0.76 1.98 1.79 0.00 0.00 0.00 175.76 179.10 3h7a h THR 141 N 2.15 0.62 0.00 0.00 1.35 -1.95 -2.25 112.91 112.82 3h7a h THR 141 Ca -0.28 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 3h7a h THR 141 Cb 1.24 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 3h7a h THR 141 CO 0.39 0.17 0.00 0.00 -0.25 0.00 0.00 175.52 175.83 3h7a h ALA 142 N 1.83 1.00 0.00 6.62 0.00 -1.94 -1.59 119.26 125.18 3h7a h ALA 142 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h7a h ALA 142 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3h7a h ALA 142 CO 0.02 0.00 0.00 0.77 0.00 0.00 0.00 179.25 180.04 3h7a h SER 143 N 0.00 0.00 0.00 0.00 0.02 -1.65 -3.36 113.55 108.55 3h7a h SER 143 Ca 0.00 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.77 3h7a h SER 143 Cb 0.34 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 3h7a h SER 143 CO 0.00 0.00 -1.68 0.18 -1.14 0.00 0.00 176.83 174.19 3h7a n LEU 144 N -2.74 1.89 -3.77 5.07 4.77 -0.67 -4.33 117.00 117.21 3h7a n LEU 144 Ca 0.01 -0.04 -0.13 0.00 -0.03 0.00 0.00 56.01 55.82 3h7a n LEU 144 Cb 0.26 -0.18 -0.10 0.00 -2.33 0.00 0.00 43.42 41.07 3h7a n LEU 144 CO 0.24 0.53 -0.02 0.00 -1.33 0.00 0.00 177.39 176.80 3h7a s ARG 145 N -2.24 0.47 -0.39 3.23 1.70 -0.76 -5.12 118.95 115.84 3h7a s ARG 145 Ca -0.12 0.15 -0.15 0.00 -0.47 0.00 0.00 55.73 55.14 3h7a s ARG 145 Cb 0.04 0.22 0.01 0.00 -0.57 0.00 0.00 34.95 34.64 3h7a s ARG 145 CO 0.32 -0.10 0.32 0.20 -1.08 0.00 0.00 175.30 174.96 3h7a s GLY 146 N -0.47 1.97 0.70 3.88 0.00 -1.26 -4.27 107.32 107.86 3h7a s GLY 146 Ca -0.06 -1.56 -0.04 0.00 0.00 0.00 0.00 44.72 43.06 3h7a s GLY 146 CO 0.02 0.94 0.98 -0.32 0.00 0.00 0.00 173.10 174.72 3h7a s GLY 147 N 1.72 1.75 0.14 0.20 0.00 -1.26 -4.98 107.32 104.89 3h7a s GLY 147 Ca 0.07 -1.28 -0.31 0.00 0.00 0.00 0.00 44.72 43.20 3h7a s GLY 147 CO 0.11 -0.83 1.76 -0.45 0.00 0.00 0.00 173.10 173.69 3h7a s SER 148 N -4.59 6.45 0.00 1.64 0.15 -1.26 -1.84 113.70 114.25 3h7a s SER 148 Ca 0.63 2.75 0.00 0.00 0.70 0.00 0.00 55.95 60.02 3h7a s SER 148 Cb -0.08 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 3h7a s SER 148 CO 0.44 -0.97 0.00 0.61 1.20 0.00 0.00 173.24 174.52 3h7a n GLY 149 N 4.09 1.14 1.16 9.45 0.00 -1.26 -4.93 105.19 114.85 3h7a n GLY 149 Ca 0.17 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.27 3h7a n GLY 149 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3h7a n PHE 150 N -2.00 1.20 -0.19 1.61 3.72 -0.76 -0.46 117.46 120.58 3h7a n PHE 150 Ca 0.00 -0.78 -0.00 0.00 -0.05 0.00 0.00 57.45 56.62 3h7a n PHE 150 Cb 0.00 -0.32 0.09 0.00 -0.94 0.00 0.00 39.48 38.31 3h7a n PHE 150 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3h7a h ALA 151 N 2.54 0.63 0.28 4.37 0.00 -1.84 0.65 119.26 125.89 3h7a h ALA 151 Ca 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3h7a h ALA 151 Cb 1.49 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.50 3h7a h ALA 151 CO 0.26 -0.34 -0.13 0.00 0.00 0.00 0.00 179.25 179.04 3h7a h ALA 152 N 1.47 -0.37 0.01 0.00 0.00 -1.91 -2.16 119.26 116.30 3h7a h ALA 152 Ca 0.30 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3h7a h ALA 152 Cb 0.45 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3h7a h ALA 152 CO -0.41 -0.58 -0.00 0.35 0.00 0.00 0.00 179.25 178.60 3h7a h PHE 153 N -0.62 -0.01 -0.77 0.00 3.57 -1.73 -2.67 116.94 114.70 3h7a h PHE 153 Ca -0.04 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 3h7a h PHE 153 Cb 0.44 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.15 3h7a h PHE 153 CO 0.01 0.36 0.47 0.00 -2.23 0.00 0.00 178.31 176.91 3h7a h ALA 154 N 0.60 1.36 -0.31 2.41 0.00 0.17 -1.00 119.26 122.49 3h7a h ALA 154 Ca -0.00 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.87 3h7a h ALA 154 Cb 0.38 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3h7a h ALA 154 CO 0.00 0.55 0.05 1.03 0.00 0.00 0.00 179.25 180.88 3h7a h SER 155 N 1.06 -0.02 -0.50 0.00 0.87 -1.30 0.35 113.55 114.02 3h7a h SER 155 Ca 0.28 0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.84 3h7a h SER 155 Cb -0.04 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 3h7a h SER 155 CO -0.05 0.02 0.11 0.00 -0.53 0.00 0.00 176.83 176.38 3h7a h ALA 156 N 1.24 0.66 -0.32 6.23 0.00 -1.10 -0.52 119.26 125.45 3h7a h ALA 156 Ca 0.14 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 3h7a h ALA 156 Cb 0.17 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3h7a h ALA 156 CO -0.20 0.37 -0.47 0.87 0.00 0.00 0.00 179.25 179.82 3h7a h LYS 157 N 0.69 0.85 -0.18 0.00 1.79 -0.83 0.55 116.57 119.44 3h7a h LYS 157 Ca 0.15 -0.49 0.02 0.00 -2.18 0.00 0.00 60.65 58.15 3h7a h LYS 157 Cb 0.36 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.03 3h7a h LYS 157 CO 0.00 1.13 0.07 0.74 -1.08 0.00 0.00 179.45 180.31 3h7a h PHE 158 N 0.67 0.12 -0.67 -1.35 -1.00 -0.29 -1.74 116.94 112.68 3h7a h PHE 158 Ca 0.04 0.01 0.13 0.00 2.81 0.00 0.00 57.97 60.96 3h7a h PHE 158 Cb 1.05 -0.03 -0.13 0.00 3.61 0.00 0.00 35.95 40.46 3h7a h PHE 158 CO 0.06 0.06 -0.19 0.78 -1.61 0.00 0.00 178.31 177.42 3h7a h GLY 159 N 0.16 0.44 1.26 -1.45 0.00 -0.82 -1.31 103.07 101.34 3h7a h GLY 159 Ca 0.08 0.24 -0.08 0.00 0.00 0.00 0.00 47.33 47.57 3h7a h GLY 159 CO -0.08 -0.26 0.02 -2.00 0.00 0.00 0.00 176.54 174.23 3h7a h LEU 160 N -0.02 0.86 -0.60 3.11 5.85 -0.63 -2.73 115.31 121.16 3h7a h LEU 160 Ca 0.32 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3h7a h LEU 160 Cb 0.50 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 3h7a h LEU 160 CO -0.70 0.92 0.33 -0.09 -0.34 0.00 0.00 178.44 178.55 3h7a h ARG 161 N 0.83 0.84 -0.73 1.25 2.43 -0.53 -0.62 114.38 117.85 3h7a h ARG 161 Ca 0.16 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 3h7a h ARG 161 Cb 0.47 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 3h7a h ARG 161 CO 0.02 0.64 0.28 0.00 -1.51 0.00 0.00 179.97 179.40 3h7a h ALA 162 N 1.15 1.11 -0.00 2.80 0.00 -1.17 -0.63 119.26 122.53 3h7a h ALA 162 Ca 0.21 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3h7a h ALA 162 Cb 0.05 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 3h7a h ALA 162 CO -0.03 0.63 0.00 0.28 0.00 0.00 0.00 179.25 180.13 3h7a h VAL 163 N 1.07 1.02 -0.69 0.00 2.07 -1.14 -1.52 116.25 117.06 3h7a h VAL 163 Ca 0.24 -0.07 0.06 0.00 0.82 0.00 0.00 66.70 67.76 3h7a h VAL 163 Cb 0.22 1.07 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 3h7a h VAL 163 CO -0.02 0.02 0.39 0.00 0.02 0.00 0.00 177.57 177.97 3h7a h ALA 164 N 0.97 0.93 0.25 1.67 0.00 -0.80 -0.34 119.26 121.94 3h7a h ALA 164 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3h7a h ALA 164 Cb 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3h7a h ALA 164 CO -0.00 0.06 -0.12 1.96 0.00 0.00 0.00 179.25 181.15 3h7a h GLN 165 N 0.71 -0.33 -0.83 0.00 4.20 -0.95 -0.19 115.11 117.71 3h7a h GLN 165 Ca 0.31 0.02 -0.04 0.00 0.06 0.00 0.00 58.65 59.00 3h7a h GLN 165 Cb 0.20 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.02 3h7a h GLN 165 CO -0.19 -0.20 0.37 0.77 -0.67 0.00 0.00 178.83 178.91 3h7a h SER 166 N -0.36 1.12 -0.30 1.46 0.02 -1.05 -0.23 113.55 114.20 3h7a h SER 166 Ca -0.03 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.76 3h7a h SER 166 Cb 0.28 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 3h7a h SER 166 CO 0.06 0.96 0.16 0.24 -1.14 0.00 0.00 176.83 177.10 3h7a h MET 167 N 1.20 0.42 -0.58 3.45 2.86 -0.93 -2.48 114.93 118.86 3h7a h MET 167 Ca 0.28 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.86 3h7a h MET 167 Cb 0.16 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.71 3h7a h MET 167 CO -0.03 0.37 0.33 0.00 1.06 0.00 0.00 176.91 178.63 3h7a h ALA 168 N 1.03 0.74 -0.71 6.32 0.00 -0.63 0.39 119.26 126.41 3h7a h ALA 168 Ca 0.10 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3h7a h ALA 168 Cb 0.07 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 3h7a h ALA 168 CO -0.02 0.25 0.44 0.00 0.00 0.00 0.00 179.25 179.92 3h7a h ARG 169 N 0.79 0.82 -0.02 0.00 2.47 -0.94 -1.55 114.38 115.94 3h7a h ARG 169 Ca 0.21 -0.05 -0.17 0.00 -1.26 0.00 0.00 59.98 58.71 3h7a h ARG 169 Cb 0.03 -0.19 0.01 0.00 -1.65 0.00 0.00 29.97 28.17 3h7a h ARG 169 CO -0.03 0.54 -0.65 1.49 0.56 0.00 0.00 179.97 181.88 3h7a h GLU 170 N 0.85 0.48 0.00 0.04 4.81 -1.02 -3.42 114.58 116.32 3h7a h GLU 170 Ca 0.29 -0.49 -0.01 0.00 -0.13 0.00 0.00 59.36 59.02 3h7a h GLU 170 Cb 0.04 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 3h7a h GLU 170 CO -0.12 1.13 -1.92 1.28 -0.73 0.00 0.00 179.01 178.65 3h7a n LEU 171 N -4.16 0.00 -0.23 1.64 4.77 0.13 -4.26 117.00 114.89 3h7a n LEU 171 Ca -0.10 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.85 3h7a n LEU 171 Cb 0.69 0.02 0.08 0.00 -2.33 0.00 0.00 43.42 41.88 3h7a n LEU 171 CO 0.48 0.02 1.11 0.24 -1.33 0.00 0.00 177.39 177.90 3h7a h MET 172 N 0.00 0.72 0.00 3.23 2.86 -1.21 0.02 114.93 120.55 3h7a h MET 172 Ca -0.02 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3h7a h MET 172 Cb 0.96 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.46 3h7a h MET 172 CO 0.00 0.48 0.00 -2.30 1.06 0.00 0.00 176.91 176.15 3h7a n PRO 173 N -4.74 0.26 -0.32 -0.22 -0.02 -1.26 -2.25 135.00 126.44 3h7a n PRO 173 Ca 0.07 0.03 0.08 0.00 -2.02 0.00 0.00 63.50 61.67 3h7a n PRO 173 Cb 0.13 -1.50 0.17 0.00 -0.02 0.00 0.00 33.50 32.28 3h7a n PRO 173 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3h7a n LYS 174 N -1.05 1.46 -2.00 -0.52 5.02 -0.12 -4.97 118.16 115.99 3h7a n LYS 174 Ca 0.06 -2.91 -0.12 0.00 -2.02 0.00 0.00 58.31 53.32 3h7a n LYS 174 Cb 0.04 -1.57 -0.02 0.00 -0.02 0.00 0.00 35.03 33.46 3h7a n LYS 174 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3h7a n ASN 175 N -1.28 -4.03 -4.30 4.39 5.15 -0.95 -4.73 115.26 109.50 3h7a n ASN 175 Ca 0.18 0.07 -0.34 0.00 -0.60 0.00 0.00 54.58 53.88 3h7a n ASN 175 Cb 0.68 -3.07 -0.14 0.00 -0.53 0.00 0.00 39.78 36.72 3h7a n ASN 175 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3h7a s ILE 176 N -2.57 3.19 -0.72 -1.44 1.01 -0.56 -3.05 121.20 117.07 3h7a s ILE 176 Ca 0.00 -0.56 -0.21 0.00 0.00 0.00 0.00 60.65 59.88 3h7a s ILE 176 Cb 0.00 -2.43 0.09 0.00 0.01 0.00 0.00 42.46 40.14 3h7a s ILE 176 CO 0.00 0.45 0.96 -2.28 0.00 0.00 0.00 174.94 174.07 3h7a s HIS 177 N 1.26 2.85 -0.02 3.97 5.65 -0.20 -3.09 115.29 125.70 3h7a s HIS 177 Ca 0.03 -0.84 -0.23 0.00 0.25 0.00 0.00 55.06 54.27 3h7a s HIS 177 Cb -0.14 -4.24 -0.04 0.00 -1.18 0.00 0.00 32.58 26.97 3h7a s HIS 177 CO -0.03 -1.55 0.70 0.08 -0.65 0.00 0.00 174.74 173.30 3h7a s VAL 178 N 3.46 4.93 0.05 0.89 1.01 -1.26 -1.34 120.40 128.15 3h7a s VAL 178 Ca 0.23 1.46 -0.02 0.00 0.00 0.00 0.00 61.98 63.66 3h7a s VAL 178 Cb -0.15 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 3h7a s VAL 178 CO 0.04 0.31 -0.01 0.00 0.00 0.00 0.00 175.10 175.45 3h7a s ALA 179 N 0.37 0.45 -0.22 5.51 0.00 -0.56 -4.57 121.76 122.75 3h7a s ALA 179 Ca 0.37 -1.16 -0.03 0.00 0.00 0.00 0.00 51.96 51.13 3h7a s ALA 179 Cb -0.19 0.30 0.07 0.00 0.00 0.00 0.00 23.12 23.30 3h7a s ALA 179 CO 0.19 -0.38 0.06 -1.58 0.00 0.00 0.00 175.76 174.05 3h7a s HIS 180 N -3.92 0.91 -0.40 0.00 2.46 0.13 -1.36 115.29 113.11 3h7a s HIS 180 Ca 0.07 -0.89 -0.15 0.00 0.47 0.00 0.00 55.06 54.56 3h7a s HIS 180 Cb 0.08 -1.05 0.02 0.00 -0.13 0.00 0.00 32.58 31.49 3h7a s HIS 180 CO -0.10 -0.65 0.33 -1.17 -2.47 0.00 0.00 174.74 170.68 3h7a s LEU 181 N 1.90 4.96 -0.28 8.88 2.96 -0.25 -2.32 118.68 134.54 3h7a s LEU 181 Ca 0.02 -0.77 -0.21 0.00 -0.22 0.00 0.00 54.13 52.95 3h7a s LEU 181 Cb -0.17 -2.22 -0.01 0.00 0.50 0.00 0.00 46.19 44.29 3h7a s LEU 181 CO -0.14 -0.46 0.68 -0.63 -1.32 0.00 0.00 176.35 174.49 3h7a s ILE 182 N 1.81 4.92 -0.12 6.68 1.01 0.47 0.02 121.20 135.98 3h7a s ILE 182 Ca 0.07 1.12 -0.07 0.00 0.00 0.00 0.00 60.65 61.77 3h7a s ILE 182 Cb -0.18 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 3h7a s ILE 182 CO 0.11 -0.08 0.15 -0.63 0.00 0.00 0.00 174.94 174.49 3h7a s ILE 183 N 2.66 5.49 0.00 2.92 1.09 -0.91 -1.33 121.20 131.12 3h7a s ILE 183 Ca 0.28 0.23 0.00 0.00 -1.10 0.00 0.00 60.65 60.06 3h7a s ILE 183 Cb -0.15 -3.41 0.00 0.00 -1.06 0.00 0.00 42.46 37.84 3h7a s ILE 183 CO 0.10 0.62 0.06 -0.67 -0.10 0.00 0.00 174.94 174.95 3h7a n ASP 184 N 2.00 0.12 0.00 3.58 -0.08 -1.06 -3.74 116.55 117.38 3h7a n ASP 184 Ca -0.20 -0.43 0.00 0.00 -1.51 0.00 0.00 54.79 52.65 3h7a n ASP 184 Cb 0.55 0.43 0.00 0.00 2.34 0.00 0.00 41.12 44.44 3h7a n ASP 184 CO 0.00 0.00 0.00 1.15 0.12 0.00 0.00 177.20 178.47 3h7a n MET 212 N -0.43 -0.12 -1.44 -0.67 0.00 -1.26 -4.44 117.12 108.76 3h7a n MET 212 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 57.70 57.15 3h7a n MET 212 Cb 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 33.22 33.16 3h7a n MET 212 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 3h7a n PRO 213 N -1.94 0.77 -0.20 3.17 -0.02 -1.26 -4.85 135.00 130.68 3h7a n PRO 213 Ca 0.00 0.23 0.18 0.00 -2.02 0.00 0.00 63.50 61.89 3h7a n PRO 213 Cb 0.00 -2.12 0.34 0.00 -0.02 0.00 0.00 33.50 31.70 3h7a n PRO 213 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3h7a n PRO 214 N 7.46 -0.04 0.21 0.52 -0.02 -1.26 -0.75 135.00 141.11 3h7a n PRO 214 Ca 0.42 0.86 0.05 0.00 -2.02 0.00 0.00 63.50 62.81 3h7a n PRO 214 Cb 0.13 -1.51 0.46 0.00 -0.02 0.00 0.00 33.50 32.56 3h7a n PRO 214 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h7a h ALA 215 N 1.23 1.52 -0.12 3.55 0.00 -1.88 -1.67 119.26 121.88 3h7a h ALA 215 Ca 0.50 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 55.02 3h7a h ALA 215 Cb 1.30 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3h7a h ALA 215 CO -0.49 0.32 -0.60 0.00 0.00 0.00 0.00 179.25 178.49 3h7a h ALA 216 N 1.74 0.75 -0.33 0.00 0.00 -1.33 -1.24 119.26 118.85 3h7a h ALA 216 Ca -0.00 -0.54 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 3h7a h ALA 216 Cb 0.47 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3h7a h ALA 216 CO 0.03 0.71 0.06 0.28 0.00 0.00 0.00 179.25 180.34 3h7a h VAL 217 N 0.30 1.23 -0.88 0.00 2.07 -1.28 -1.83 116.25 115.86 3h7a h VAL 217 Ca -0.00 -0.80 0.03 0.00 0.82 0.00 0.00 66.70 66.75 3h7a h VAL 217 Cb 1.13 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.97 3h7a h VAL 217 CO 0.10 0.27 0.57 0.00 0.02 0.00 0.00 177.57 178.53 3h7a h ALA 218 N 0.90 1.15 -0.50 1.67 0.00 -1.25 -1.19 119.26 120.03 3h7a h ALA 218 Ca 0.10 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3h7a h ALA 218 Cb 0.33 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3h7a h ALA 218 CO 0.00 0.44 0.02 0.78 0.00 0.00 0.00 179.25 180.50 3h7a h GLY 219 N 1.13 0.89 1.11 0.00 0.00 -1.11 -0.40 103.07 104.69 3h7a h GLY 219 Ca 0.34 -0.59 -0.09 0.00 0.00 0.00 0.00 47.33 46.99 3h7a h GLY 219 CO -0.10 0.55 0.02 0.00 0.00 0.00 0.00 176.54 177.00 3h7a h ALA 220 N 1.24 0.87 -0.59 3.60 0.00 -0.80 0.28 119.26 123.86 3h7a h ALA 220 Ca 0.15 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 3h7a h ALA 220 Cb 0.44 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3h7a h ALA 220 CO 0.02 0.67 -0.04 1.88 0.00 0.00 0.00 179.25 181.77 3h7a h TYR 221 N 0.98 1.17 -0.65 0.00 0.05 -0.91 -0.98 116.97 116.63 3h7a h TYR 221 Ca 0.18 -0.22 -0.03 0.00 0.05 0.00 0.00 58.73 58.71 3h7a h TYR 221 Cb 0.53 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 37.94 3h7a h TYR 221 CO 0.04 1.05 0.28 2.35 -1.05 0.00 0.00 178.16 180.83 3h7a h TRP 222 N 0.96 0.94 -0.34 4.88 2.91 -0.85 0.13 115.95 124.58 3h7a h TRP 222 Ca 0.16 -0.05 -0.02 0.00 1.13 0.00 0.00 58.89 60.12 3h7a h TRP 222 Cb 0.61 -0.29 -0.02 0.00 -0.51 0.00 0.00 29.16 28.95 3h7a h TRP 222 CO 0.04 0.71 0.15 0.37 -1.03 0.00 0.00 178.44 178.68 3h7a h GLN 223 N 0.93 0.50 -0.69 2.65 4.15 -0.64 -0.52 115.11 121.48 3h7a h GLN 223 Ca 0.22 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.55 3h7a h GLN 223 Cb 0.15 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.72 3h7a h GLN 223 CO -0.02 0.48 0.39 -0.07 -1.93 0.00 0.00 178.83 177.68 3h7a h LEU 224 N 0.41 0.86 -0.56 -2.39 3.38 -0.89 -2.65 115.31 113.47 3h7a h LEU 224 Ca 0.11 -0.09 0.09 0.00 0.09 0.00 0.00 57.88 58.09 3h7a h LEU 224 Cb 0.16 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.62 3h7a h LEU 224 CO -0.01 0.70 0.17 0.22 0.09 0.00 0.00 178.44 179.61 3h7a h TYR 225 N 0.95 0.30 0.00 1.13 3.20 -0.43 -2.71 116.97 119.40 3h7a h TYR 225 Ca 0.25 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.15 3h7a h TYR 225 Cb 0.02 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.24 3h7a h TYR 225 CO -0.01 0.06 0.00 1.04 -1.64 0.00 0.00 178.16 177.61 3h7a n GLN 226 N -5.04 0.16 -1.71 1.82 1.13 -0.23 -4.85 117.38 108.66 3h7a n GLN 226 Ca 0.07 0.30 -0.43 0.00 -1.94 0.00 0.00 57.00 55.00 3h7a n GLN 226 Cb 0.26 -1.76 -0.03 0.00 0.11 0.00 0.00 30.24 28.82 3h7a n GLN 226 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3h7a n GLN 227 N -2.05 2.69 -1.86 -1.09 6.02 -1.03 -4.98 117.38 115.08 3h7a n GLN 227 Ca 0.04 0.97 -0.31 0.00 -0.01 0.00 0.00 57.00 57.68 3h7a n GLN 227 Cb 0.28 -2.80 0.02 0.00 1.02 0.00 0.00 30.24 28.76 3h7a n GLN 227 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3h7a s PRO 228 N 1.05 3.43 0.55 -1.09 0.04 -1.26 -4.91 135.00 132.81 3h7a s PRO 228 Ca 0.75 0.86 0.33 0.00 0.04 0.00 0.00 61.00 62.99 3h7a s PRO 228 Cb -0.53 -2.06 1.49 0.00 0.04 0.00 0.00 34.50 33.45 3h7a s PRO 228 CO 0.34 -0.70 1.83 -0.22 0.04 0.00 0.00 177.00 178.29 3h7a h LYS 229 N -0.24 0.00 0.00 4.56 3.64 -1.99 -1.17 116.57 121.38 3h7a h LYS 229 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 3h7a h LYS 229 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3h7a h LYS 229 CO 0.60 0.00 0.00 -1.13 -2.27 0.00 0.00 179.45 176.65 3h7a n SER 230 N -4.12 0.17 -2.89 4.20 3.41 -1.26 -4.16 113.62 108.97 3h7a n SER 230 Ca 0.20 0.53 -0.13 0.00 -0.26 0.00 0.00 58.87 59.21 3h7a n SER 230 Cb 1.06 -0.57 0.03 0.00 -0.26 0.00 0.00 64.21 64.48 3h7a n SER 230 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h7a n ALA 231 N -1.56 0.02 -2.50 7.33 0.00 -0.44 -5.12 120.51 118.24 3h7a n ALA 231 Ca 0.05 -2.10 -0.38 0.00 0.00 0.00 0.00 53.44 51.01 3h7a n ALA 231 Cb 0.28 -1.12 -0.06 0.00 0.00 0.00 0.00 19.45 18.55 3h7a n ALA 231 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3h7a s TRP 232 N -0.29 3.71 -0.18 0.00 0.51 -1.22 -4.50 118.94 116.96 3h7a s TRP 232 Ca 0.31 1.02 -0.07 0.00 -2.12 0.00 0.00 56.10 55.23 3h7a s TRP 232 Cb 0.26 -2.35 -0.04 0.00 -0.81 0.00 0.00 33.47 30.53 3h7a s TRP 232 CO -0.13 0.57 0.05 0.99 -0.51 0.00 0.00 176.95 177.93 3h7a s THR 233 N -0.86 4.69 -0.14 2.01 2.01 -1.26 -5.01 115.64 117.09 3h7a s THR 233 Ca 0.25 -0.07 -0.26 0.00 0.31 0.00 0.00 61.69 61.92 3h7a s THR 233 Cb -0.17 -3.11 -0.23 0.00 0.01 0.00 0.00 72.50 68.99 3h7a s THR 233 CO 0.14 0.46 0.66 0.15 -0.69 0.00 0.00 174.62 175.33 3h7a h PHE 234 N 6.76 0.00 -3.72 4.92 3.57 -1.96 -3.44 116.94 123.07 3h7a h PHE 234 Ca -0.36 0.00 -0.59 0.00 3.53 0.00 0.00 57.97 60.55 3h7a h PHE 234 Cb 1.17 0.00 -0.32 0.00 2.79 0.00 0.00 35.95 39.59 3h7a h PHE 234 CO 0.56 0.95 -0.85 -2.00 -2.23 0.00 0.00 178.31 174.75 3h7a s GLU 235 N -2.18 2.08 0.01 1.11 2.12 -1.26 0.20 118.70 120.78 3h7a s GLU 235 Ca -0.18 -0.65 0.01 0.00 0.36 0.00 0.00 54.97 54.51 3h7a s GLU 235 Cb -0.02 -1.73 -0.01 0.00 0.26 0.00 0.00 34.13 32.63 3h7a s GLU 235 CO 0.62 0.21 -0.05 1.41 -0.54 0.00 0.00 175.26 176.91 3h7a s MET 236 N 0.19 0.38 -0.08 4.30 1.75 -0.98 -4.99 119.30 119.87 3h7a s MET 236 Ca -0.09 -0.31 0.03 0.00 -1.25 0.00 0.00 55.69 54.07 3h7a s MET 236 Cb -0.14 -0.30 -0.02 0.00 2.84 0.00 0.00 34.83 37.22 3h7a s MET 236 CO 0.04 0.07 -0.18 -2.00 -0.65 0.00 0.00 175.02 172.31 3h7a s GLU 237 N -0.51 2.81 0.03 4.11 2.12 -1.26 -0.39 118.70 125.61 3h7a s GLU 237 Ca -0.02 -0.76 0.08 0.00 0.36 0.00 0.00 54.97 54.63 3h7a s GLU 237 Cb -0.04 -2.39 -0.03 0.00 0.26 0.00 0.00 34.13 31.94 3h7a s GLU 237 CO -0.00 0.41 -0.25 0.96 -0.54 0.00 0.00 175.26 175.84 3h7a s ILE 238 N -0.18 1.98 0.06 -3.70 -4.36 -0.44 -4.96 121.20 109.59 3h7a s ILE 238 Ca -0.01 -1.28 0.03 0.00 -0.26 0.00 0.00 60.65 59.13 3h7a s ILE 238 Cb -0.13 -1.69 -0.03 0.00 1.25 0.00 0.00 42.46 41.86 3h7a s ILE 238 CO 0.03 0.35 -0.11 -0.13 0.24 0.00 0.00 174.94 175.33 3h7a s ARG 239 N -1.12 0.67 -0.02 0.37 1.81 -1.26 -2.55 118.95 116.86 3h7a s ARG 239 Ca 0.10 -0.86 -0.20 0.00 -1.72 0.00 0.00 55.73 53.05 3h7a s ARG 239 Cb -0.10 -0.52 -0.05 0.00 -0.45 0.00 0.00 34.95 33.83 3h7a s ARG 239 CO 0.02 0.11 0.57 -1.25 -0.68 0.00 0.00 175.30 174.06 3h7a s PRO 240 N -1.73 4.29 0.00 3.54 0.04 -1.26 -5.07 135.00 134.81 3h7a s PRO 240 Ca -0.06 0.68 0.00 0.00 0.04 0.00 0.00 61.00 61.67 3h7a s PRO 240 Cb -0.09 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.10 3h7a s PRO 240 CO 0.01 0.37 0.36 0.66 0.04 0.00 0.00 177.00 178.44