#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 3.70 -0.98 -0.52 3.52 0.13 -4.99 118.95 119.81 3h7a s ARG 4 Ca 0.00 0.61 -0.02 0.00 -0.13 0.00 0.00 55.73 56.19 3h7a s ARG 4 Cb 0.00 -2.23 0.29 0.00 -1.56 0.00 0.00 34.95 31.45 3h7a s ARG 4 CO 0.00 -0.31 1.23 -1.71 -0.81 0.00 0.00 175.30 173.71 3h7a n ASN 5 N -2.07 5.61 -3.61 -2.12 5.15 -1.26 -4.63 115.26 112.33 3h7a n ASN 5 Ca 0.04 -3.35 -0.04 0.00 -0.60 0.00 0.00 54.58 50.63 3h7a n ASN 5 Cb 0.54 -1.15 -0.02 0.00 -0.53 0.00 0.00 39.78 38.63 3h7a n ASN 5 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3h7a s ALA 6 N -2.44 -1.95 0.16 5.20 0.00 -1.26 -4.35 121.76 117.12 3h7a s ALA 6 Ca 0.32 0.95 0.09 0.00 0.00 0.00 0.00 51.96 53.32 3h7a s ALA 6 Cb 0.04 0.29 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 3h7a s ALA 6 CO 0.04 -0.81 -0.13 0.95 0.00 0.00 0.00 175.76 175.82 3h7a s THR 7 N -2.79 3.07 -0.17 0.00 -4.23 0.06 -2.30 115.64 109.27 3h7a s THR 7 Ca 0.10 -1.60 0.01 0.00 -1.18 0.00 0.00 61.69 59.02 3h7a s THR 7 Cb 0.00 -2.48 0.02 0.00 1.34 0.00 0.00 72.50 71.38 3h7a s THR 7 CO -0.04 -0.03 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.12 3h7a s VAL 8 N -1.51 1.99 -0.31 2.29 1.01 -0.85 -1.29 120.40 121.74 3h7a s VAL 8 Ca 0.22 -0.90 -0.20 0.00 0.00 0.00 0.00 61.98 61.11 3h7a s VAL 8 Cb -0.09 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 3h7a s VAL 8 CO 0.13 0.53 0.61 0.00 0.00 0.00 0.00 175.10 176.37 3h7a s ALA 9 N 1.30 3.52 -0.71 5.51 0.00 -0.19 -0.32 121.76 130.88 3h7a s ALA 9 Ca 0.05 -0.69 -0.07 0.00 0.00 0.00 0.00 51.96 51.24 3h7a s ALA 9 Cb -0.13 -3.08 0.19 0.00 0.00 0.00 0.00 23.12 20.10 3h7a s ALA 9 CO -0.12 -1.08 0.57 0.08 0.00 0.00 0.00 175.76 175.21 3h7a s VAL 10 N 2.57 4.48 -0.86 0.00 1.01 -0.25 -0.85 120.40 126.51 3h7a s VAL 10 Ca 0.24 -2.78 -0.23 0.00 0.00 0.00 0.00 61.98 59.21 3h7a s VAL 10 Cb -0.15 -3.84 0.07 0.00 0.00 0.00 0.00 36.38 32.45 3h7a s VAL 10 CO 0.12 -0.94 1.24 -0.63 0.00 0.00 0.00 175.10 174.89 3h7a s ILE 11 N 0.01 4.11 0.00 2.22 1.01 -0.47 -1.64 121.20 126.45 3h7a s ILE 11 Ca 0.17 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.28 3h7a s ILE 11 Cb -0.16 -4.89 0.00 0.00 0.01 0.00 0.00 42.46 37.42 3h7a s ILE 11 CO -0.06 -1.73 0.00 0.61 0.00 0.00 0.00 174.94 173.76 3h7a n GLY 12 N 5.90 0.87 0.91 6.18 0.00 -0.71 -0.41 105.19 117.93 3h7a n GLY 12 Ca 0.16 -0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.18 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 2.59 0.00 4.61 0.00 0.26 -4.21 120.51 123.76 3h7a n ALA 13 Ca 0.00 -0.85 -0.17 0.00 0.00 0.00 0.00 53.44 52.43 3h7a n ALA 13 Cb 0.00 -0.98 -0.06 0.00 0.00 0.00 0.00 19.45 18.41 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 4.92 0.79 -0.43 0.00 0.00 -1.90 -3.32 103.07 103.13 3h7a h GLY 14 Ca 0.00 -1.16 -0.16 0.00 0.00 0.00 0.00 47.33 46.00 3h7a h GLY 14 CO 0.05 1.04 0.07 2.09 0.00 0.00 0.00 176.54 179.79 3h7a n ASP 15 N -3.90 0.34 -0.11 0.19 5.75 -1.26 -4.89 116.55 112.68 3h7a n ASP 15 Ca -0.08 -1.33 -0.12 0.00 -0.01 0.00 0.00 54.79 53.25 3h7a n ASP 15 Cb 0.77 -0.27 -0.03 0.00 -1.03 0.00 0.00 41.12 40.55 3h7a n ASP 15 CO 0.00 0.00 0.00 1.88 -0.11 0.00 0.00 177.20 178.97 3h7a h TYR 16 N -0.71 0.80 -0.25 2.11 0.05 -1.95 -1.96 116.97 115.05 3h7a h TYR 16 Ca -0.13 -0.21 0.02 0.00 0.05 0.00 0.00 58.73 58.47 3h7a h TYR 16 Cb 0.43 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.97 3h7a h TYR 16 CO 0.00 0.92 0.10 0.82 -1.05 0.00 0.00 178.16 178.94 3h7a h ILE 17 N 0.45 0.95 -0.42 -2.88 2.04 -1.95 -1.96 117.51 113.74 3h7a h ILE 17 Ca 0.07 -0.07 -0.07 0.00 1.00 0.00 0.00 64.86 65.78 3h7a h ILE 17 Cb 0.72 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 3h7a h ILE 17 CO 0.05 0.04 -0.04 1.23 0.00 0.00 0.00 178.15 179.43 3h7a h GLY 18 N 0.22 0.76 0.86 5.37 0.00 -1.71 -2.06 103.07 106.51 3h7a h GLY 18 Ca 0.11 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 3h7a h GLY 18 CO -0.10 0.48 0.01 0.00 0.00 0.00 0.00 176.54 176.93 3h7a h ALA 19 N 1.30 0.04 -0.77 3.60 0.00 -1.20 -2.31 119.26 119.92 3h7a h ALA 19 Ca 0.13 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3h7a h ALA 19 Cb 0.47 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3h7a h ALA 19 CO 0.02 -0.39 0.47 0.93 0.00 0.00 0.00 179.25 180.29 3h7a h GLU 20 N -0.10 1.03 -0.56 0.00 4.39 -1.08 0.10 114.58 118.36 3h7a h GLU 20 Ca 0.01 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 3h7a h GLU 20 Cb 0.15 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 3h7a h GLU 20 CO -0.00 0.71 0.19 0.82 -1.16 0.00 0.00 179.01 179.57 3h7a h ILE 21 N 1.05 1.23 -0.20 3.13 2.04 -1.36 0.32 117.51 123.73 3h7a h ILE 21 Ca 0.28 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 3h7a h ILE 21 Cb -0.06 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 3h7a h ILE 21 CO -0.05 0.29 0.08 0.00 0.00 0.00 0.00 178.15 178.47 3h7a h ALA 22 N 1.05 0.26 -0.46 1.87 0.00 -0.68 -1.02 119.26 120.28 3h7a h ALA 22 Ca 0.18 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.07 3h7a h ALA 22 Cb 0.26 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 3h7a h ALA 22 CO -0.01 -0.15 0.06 0.87 0.00 0.00 0.00 179.25 180.01 3h7a h LYS 23 N 0.17 0.17 0.00 0.00 1.57 -0.72 -1.89 116.57 115.87 3h7a h LYS 23 Ca 0.07 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3h7a h LYS 23 Cb 0.17 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3h7a h LYS 23 CO -0.01 0.11 -0.00 -0.22 -0.57 0.00 0.00 179.45 178.77 3h7a h LYS 24 N 0.18 -0.00 0.00 3.15 1.63 -0.68 -1.15 116.57 119.70 3h7a h LYS 24 Ca 0.23 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.98 3h7a h LYS 24 Cb 0.32 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.94 3h7a h LYS 24 CO -0.33 0.15 -0.22 0.74 -3.45 0.00 0.00 179.45 176.33 3h7a h PHE 25 N -0.15 0.00 -0.02 1.91 0.04 -1.14 -2.43 116.94 115.14 3h7a h PHE 25 Ca -0.00 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.62 3h7a h PHE 25 Cb 0.15 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.31 3h7a h PHE 25 CO -0.03 0.22 -0.57 0.00 -0.60 0.00 0.00 178.31 177.33 3h7a h ALA 26 N 1.78 0.10 -0.33 2.45 0.00 -1.32 -2.49 119.26 119.45 3h7a h ALA 26 Ca -0.00 -0.55 0.10 0.00 0.00 0.00 0.00 54.91 54.45 3h7a h ALA 26 Cb 0.86 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3h7a h ALA 26 CO 0.03 0.35 0.33 0.00 0.00 0.00 0.00 179.25 179.96 3h7a h ALA 27 N 0.35 2.05 -0.53 0.00 0.00 -0.96 0.07 119.26 120.23 3h7a h ALA 27 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3h7a h ALA 27 Cb 1.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3h7a h ALA 27 CO 0.11 -0.50 0.00 0.39 0.00 0.00 0.00 179.25 179.25 3h7a n GLU 28 N -3.86 4.01 -0.03 0.00 -0.58 -0.94 -4.94 120.64 114.31 3h7a n GLU 28 Ca 0.05 -2.66 0.00 0.00 -0.42 0.00 0.00 57.16 54.13 3h7a n GLU 28 Cb 0.49 -2.03 0.00 0.00 -0.57 0.00 0.00 31.44 29.33 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 0.75 0.81 3.79 0.62 0.00 0.01 -4.79 105.19 106.37 3h7a n GLY 29 Ca 0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.30 3.06 -0.47 1.61 0.08 -0.94 -0.70 117.98 118.32 3h7a s PHE 30 Ca 0.00 1.59 -0.25 0.00 0.12 0.00 0.00 56.93 58.39 3h7a s PHE 30 Cb 0.00 -3.13 0.03 0.00 -0.57 0.00 0.00 43.02 39.35 3h7a s PHE 30 CO 0.00 -0.87 0.93 0.99 -0.10 0.00 0.00 175.22 176.17 3h7a s THR 31 N -1.81 4.45 -0.28 0.64 2.01 -0.97 -4.20 115.64 115.47 3h7a s THR 31 Ca 0.64 0.69 -0.25 0.00 0.31 0.00 0.00 61.69 63.08 3h7a s THR 31 Cb -0.20 -4.45 0.00 0.00 0.01 0.00 0.00 72.50 67.86 3h7a s THR 31 CO 0.24 -0.88 0.84 -0.69 -0.69 0.00 0.00 174.62 173.45 3h7a s VAL 32 N 3.80 4.77 -0.58 3.82 1.01 -0.55 -2.00 120.40 130.67 3h7a s VAL 32 Ca 0.36 1.40 -0.22 0.00 0.00 0.00 0.00 61.98 63.53 3h7a s VAL 32 Cb -0.10 -4.17 0.06 0.00 0.00 0.00 0.00 36.38 32.16 3h7a s VAL 32 CO 0.25 -0.22 0.84 -0.36 0.00 0.00 0.00 175.10 175.61 3h7a s PHE 33 N 3.01 2.85 0.16 5.22 0.40 0.56 -0.87 117.98 129.31 3h7a s PHE 33 Ca 0.35 -0.43 -0.17 0.00 -0.60 0.00 0.00 56.93 56.08 3h7a s PHE 33 Cb -0.14 -3.99 -0.07 0.00 0.51 0.00 0.00 43.02 39.32 3h7a s PHE 33 CO 0.11 -1.35 0.61 0.00 0.70 0.00 0.00 175.22 175.29 3h7a s ALA 34 N 3.48 3.53 -0.05 5.36 0.00 -0.61 -1.09 121.76 132.38 3h7a s ALA 34 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.17 3h7a s ALA 34 Cb -0.17 -2.64 0.02 0.00 0.00 0.00 0.00 23.12 20.34 3h7a s ALA 34 CO 0.13 0.41 -0.03 0.20 0.00 0.00 0.00 175.76 176.46 3h7a s GLY 35 N -1.59 0.46 0.30 0.00 0.00 -0.65 -2.16 107.32 103.69 3h7a s GLY 35 Ca 0.38 -0.09 0.01 0.00 0.00 0.00 0.00 44.72 45.02 3h7a s GLY 35 CO 0.20 0.63 0.32 1.09 0.00 0.00 0.00 173.10 175.34 3h7a s ARG 36 N 1.20 1.68 0.01 2.90 1.70 -1.12 -0.57 118.95 124.75 3h7a s ARG 36 Ca -0.07 -1.81 -0.16 0.00 -0.47 0.00 0.00 55.73 53.22 3h7a s ARG 36 Cb -0.14 0.36 -0.09 0.00 -0.57 0.00 0.00 34.95 34.52 3h7a s ARG 36 CO -0.02 -0.64 0.99 0.00 -1.08 0.00 0.00 175.30 174.55 3h7a h ARG 37 N 2.23 -0.55 -5.34 3.89 3.08 -1.83 1.17 114.38 117.03 3h7a h ARG 37 Ca -0.28 0.04 -0.67 0.00 0.07 0.00 0.00 59.98 59.13 3h7a h ARG 37 Cb 1.24 0.12 -0.15 0.00 0.08 0.00 0.00 29.97 31.26 3h7a h ARG 37 CO 0.40 -0.36 1.18 1.21 -1.07 0.00 0.00 179.97 181.33 3h7a s ASN 38 N -3.41 6.67 0.36 7.04 3.84 -1.26 -3.80 114.94 124.38 3h7a s ASN 38 Ca -0.08 -2.04 0.25 0.00 0.21 0.00 0.00 52.86 51.20 3h7a s ASN 38 Cb 0.01 -2.46 1.29 0.00 -0.55 0.00 0.00 41.25 39.54 3h7a s ASN 38 CO 0.25 -1.15 1.76 1.23 -2.79 0.00 0.00 177.10 176.40 3h7a h GLY 39 N 11.12 0.00 1.12 1.21 0.00 -1.78 -1.15 103.07 113.58 3h7a h GLY 39 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 3h7a h GLY 39 CO 1.24 0.00 -0.28 1.18 0.00 0.00 0.00 176.54 178.68 3h7a n GLU 40 N -2.38 0.24 0.00 4.80 1.02 -1.26 -3.05 120.64 120.01 3h7a n GLU 40 Ca -0.01 -0.11 0.14 0.00 -0.02 0.00 0.00 57.16 57.17 3h7a n GLU 40 Cb 0.08 -1.50 0.68 0.00 -0.02 0.00 0.00 31.44 30.69 3h7a n GLU 40 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3h7a n LYS 41 N -1.29 0.33 0.00 3.49 5.02 -0.44 -3.19 118.16 122.09 3h7a n LYS 41 Ca 0.08 -0.03 0.12 0.00 -2.02 0.00 0.00 58.31 56.47 3h7a n LYS 41 Cb 0.33 -1.50 0.60 0.00 -0.02 0.00 0.00 35.03 34.43 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 -1.31 0.00 -0.22 -0.35 4.77 -1.17 -4.31 117.00 114.41 3h7a n LEU 42 Ca 0.12 0.39 -0.01 0.00 -0.03 0.00 0.00 56.01 56.49 3h7a n LEU 42 Cb 0.28 -0.39 0.11 0.00 -2.33 0.00 0.00 43.42 41.08 3h7a n LEU 42 CO 0.25 -0.05 1.05 0.00 -1.33 0.00 0.00 177.39 177.31 3h7a h ALA 43 N 3.05 0.87 -0.19 -1.18 0.00 -1.77 0.81 119.26 120.84 3h7a h ALA 43 Ca 0.00 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3h7a h ALA 43 Cb 0.34 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3h7a h ALA 43 CO 0.00 -0.05 -0.13 -1.35 0.00 0.00 0.00 179.25 177.72 3h7a h PRO 44 N 0.57 0.31 -0.32 0.00 0.11 -1.87 -0.75 132.00 130.06 3h7a h PRO 44 Ca 0.31 -0.08 -0.08 0.00 0.11 0.00 0.00 66.00 66.26 3h7a h PRO 44 Cb 0.28 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 3h7a h PRO 44 CO -0.23 0.45 -0.12 1.25 -0.21 0.00 0.00 178.00 179.13 3h7a h LEU 45 N 0.29 0.66 -1.19 2.35 5.85 -1.63 -2.16 115.31 119.48 3h7a h LEU 45 Ca 0.06 -0.39 -0.06 0.00 0.84 0.00 0.00 57.88 58.33 3h7a h LEU 45 Cb 0.41 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 3h7a h LEU 45 CO 0.02 0.90 -0.05 0.58 -0.34 0.00 0.00 178.44 179.56 3h7a h VAL 46 N 0.41 1.21 0.90 1.05 2.07 -0.72 -1.56 116.25 119.60 3h7a h VAL 46 Ca 0.07 -0.86 -0.04 0.00 0.82 0.00 0.00 66.70 66.69 3h7a h VAL 46 Cb 0.64 1.03 0.01 0.00 -1.52 0.00 0.00 31.29 31.45 3h7a h VAL 46 CO 0.04 0.29 -0.43 0.00 0.02 0.00 0.00 177.57 177.49 3h7a h ALA 47 N 1.48 -1.21 -0.97 1.67 0.00 -1.09 -2.36 119.26 116.79 3h7a h ALA 47 Ca 0.10 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 54.83 3h7a h ALA 47 Cb 0.39 0.47 -0.07 0.00 0.00 0.00 0.00 17.79 18.57 3h7a h ALA 47 CO 0.02 -1.13 0.62 1.49 0.00 0.00 0.00 179.25 180.25 3h7a h GLU 48 N -1.31 1.01 -0.12 0.00 4.81 -1.24 0.10 114.58 117.83 3h7a h GLU 48 Ca -0.12 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 58.96 3h7a h GLU 48 Cb 0.93 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.08 3h7a h GLU 48 CO 0.20 0.67 -0.27 0.82 -0.73 0.00 0.00 179.01 179.70 3h7a h ILE 49 N 1.04 1.38 0.00 2.32 2.04 -1.34 -3.00 117.51 119.95 3h7a h ILE 49 Ca 0.45 -1.56 -0.13 0.00 1.00 0.00 0.00 64.86 64.61 3h7a h ILE 49 Cb 0.33 2.08 -0.02 0.00 -0.74 0.00 0.00 36.82 38.48 3h7a h ILE 49 CO -0.20 0.46 -0.63 -0.33 0.00 0.00 0.00 178.15 177.45 3h7a h GLU 50 N -0.02 0.00 -0.77 2.37 5.08 -1.16 0.45 114.58 120.52 3h7a h GLU 50 Ca 0.00 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 3h7a h GLU 50 Cb 0.87 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.07 3h7a h GLU 50 CO 0.06 0.63 0.47 0.00 -1.00 0.00 0.00 179.01 179.17 3h7a h ALA 51 N 1.37 1.03 -0.13 3.43 0.00 -1.02 -1.43 119.26 122.51 3h7a h ALA 51 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3h7a h ALA 51 Cb 1.18 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3h7a h ALA 51 CO 0.08 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.55 3h7a n ALA 52 N -2.34 2.51 -0.43 0.00 0.00 -1.08 -4.90 120.51 114.27 3h7a n ALA 52 Ca 0.10 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3h7a n ALA 52 Cb 0.14 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 0.82 0.72 3.85 0.00 0.00 -0.54 -5.06 105.19 104.98 3h7a n GLY 53 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.49 2.00 -0.20 -0.02 0.00 0.13 -4.95 107.32 102.79 3h7a s GLY 54 Ca 0.00 0.10 -0.07 0.00 0.00 0.00 0.00 44.72 44.75 3h7a s GLY 54 CO 0.00 0.36 0.07 0.50 0.00 0.00 0.00 173.10 174.03 3h7a s ARG 55 N -4.17 3.92 -0.04 2.90 0.52 -1.26 -3.65 118.95 117.16 3h7a s ARG 55 Ca 0.57 -0.37 -0.02 0.00 -0.52 0.00 0.00 55.73 55.40 3h7a s ARG 55 Cb -0.10 -3.24 0.03 0.00 0.52 0.00 0.00 34.95 32.15 3h7a s ARG 55 CO 0.34 0.19 0.09 -1.50 0.02 0.00 0.00 175.30 174.44 3h7a s ILE 56 N 0.61 -0.04 -0.36 1.52 2.07 -1.26 -1.48 121.20 122.26 3h7a s ILE 56 Ca 0.03 0.14 -0.07 0.00 -1.41 0.00 0.00 60.65 59.35 3h7a s ILE 56 Cb -0.13 -0.16 0.05 0.00 0.13 0.00 0.00 42.46 42.35 3h7a s ILE 56 CO 0.01 0.06 0.14 -0.69 -1.91 0.00 0.00 174.94 172.55 3h7a s VAL 57 N 0.83 3.86 0.11 4.00 1.01 -0.05 -4.97 120.40 125.20 3h7a s VAL 57 Ca -0.07 -1.22 -0.27 0.00 0.00 0.00 0.00 61.98 60.43 3h7a s VAL 57 Cb -0.09 -3.24 -0.07 0.00 0.00 0.00 0.00 36.38 32.98 3h7a s VAL 57 CO -0.03 -0.26 0.84 0.00 0.00 0.00 0.00 175.10 175.64 3h7a s ALA 58 N 1.40 3.35 -0.00 5.51 0.00 -1.26 -1.57 121.76 129.19 3h7a s ALA 58 Ca -0.00 0.42 -0.05 0.00 0.00 0.00 0.00 51.96 52.33 3h7a s ALA 58 Cb -0.20 -3.08 -0.00 0.00 0.00 0.00 0.00 23.12 19.83 3h7a s ALA 58 CO 0.02 0.11 0.09 1.03 0.00 0.00 0.00 175.76 177.01 3h7a s ARG 59 N -0.43 0.35 0.23 0.00 0.52 -0.92 -4.97 118.95 113.73 3h7a s ARG 59 Ca 0.40 -0.32 -0.30 0.00 -0.52 0.00 0.00 55.73 55.00 3h7a s ARG 59 Cb -0.22 0.14 -0.09 0.00 0.52 0.00 0.00 34.95 35.30 3h7a s ARG 59 CO 0.27 -0.07 1.08 -1.12 0.02 0.00 0.00 175.30 175.47 3h7a s SER 60 N -1.05 7.32 -0.21 0.23 0.01 -1.26 -2.80 113.70 115.95 3h7a s SER 60 Ca -0.11 2.14 -0.09 0.00 1.31 0.00 0.00 55.95 59.20 3h7a s SER 60 Cb -0.07 -2.61 0.08 0.00 0.21 0.00 0.00 66.02 63.63 3h7a s SER 60 CO 0.01 -0.13 0.47 -0.22 0.41 0.00 0.00 173.24 173.77 3h7a s LEU 61 N -0.92 -0.51 -0.34 2.44 2.96 0.40 -4.85 118.68 117.86 3h7a s LEU 61 Ca 0.46 1.07 -0.10 0.00 -0.22 0.00 0.00 54.13 55.34 3h7a s LEU 61 Cb -0.30 1.56 0.01 0.00 0.50 0.00 0.00 46.19 47.96 3h7a s LEU 61 CO 0.37 -0.22 0.18 -0.62 -1.32 0.00 0.00 176.35 174.74 3h7a s ASP 62 N 2.04 5.63 0.37 3.68 2.15 -1.26 -2.76 116.67 126.52 3h7a s ASP 62 Ca -0.06 -0.76 0.16 0.00 0.43 0.00 0.00 52.55 52.33 3h7a s ASP 62 Cb -0.10 -2.01 0.72 0.00 -0.30 0.00 0.00 42.92 41.23 3h7a s ASP 62 CO -0.14 -0.29 1.77 0.00 -0.17 0.00 0.00 175.17 176.34 3h7a h ALA 63 N 8.39 1.13 -0.66 3.66 0.00 -1.95 -2.39 119.26 127.44 3h7a h ALA 63 Ca -0.29 -0.36 0.11 0.00 0.00 0.00 0.00 54.91 54.38 3h7a h ALA 63 Cb 1.12 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 3h7a h ALA 63 CO 0.64 0.49 0.44 0.00 0.00 0.00 0.00 179.25 180.82 3h7a h ARG 64 N 0.00 0.42 -6.65 0.00 3.08 -1.88 -3.40 114.38 105.95 3h7a h ARG 64 Ca -0.00 -0.03 -0.56 0.00 0.07 0.00 0.00 59.98 59.46 3h7a h ARG 64 Cb 0.81 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.69 3h7a h ARG 64 CO 0.05 0.28 0.96 1.21 -1.07 0.00 0.00 179.97 181.40 3h7a s ASN 65 N -6.14 6.54 0.55 7.04 3.84 -0.90 -4.86 114.94 121.00 3h7a s ASN 65 Ca -0.08 0.37 0.25 0.00 0.21 0.00 0.00 52.86 53.61 3h7a s ASN 65 Cb 0.20 -2.55 1.55 0.00 -0.55 0.00 0.00 41.25 39.90 3h7a s ASN 65 CO 0.76 -1.36 2.17 1.05 -2.79 0.00 0.00 177.10 176.93 3h7a h GLU 66 N 9.50 0.00 0.23 0.43 9.09 -1.86 -2.31 114.58 129.67 3h7a h GLU 66 Ca -0.24 0.00 -0.33 0.00 0.05 0.00 0.00 59.36 58.84 3h7a h GLU 66 Cb 1.06 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 28.20 3h7a h GLU 66 CO 1.15 0.05 -1.43 -0.44 0.05 0.00 0.00 179.01 178.38 3h7a h ASP 67 N 0.00 0.80 -0.31 3.06 3.32 -1.94 -2.19 116.42 119.15 3h7a h ASP 67 Ca -0.00 -0.84 -0.00 0.00 0.02 0.00 0.00 57.03 56.21 3h7a h ASP 67 Cb 0.11 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 3h7a h ASP 67 CO 0.01 1.66 0.20 -0.33 -1.72 0.00 0.00 179.24 179.05 3h7a h GLU 68 N 0.15 0.42 -0.14 3.56 5.08 -1.81 -0.61 114.58 121.22 3h7a h GLU 68 Ca -0.24 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3h7a h GLU 68 Cb 2.13 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 31.28 3h7a h GLU 68 CO 0.27 0.31 0.09 0.28 -1.00 0.00 0.00 179.01 178.95 3h7a h VAL 69 N 0.41 1.06 -0.60 3.13 2.07 -1.50 0.52 116.25 121.35 3h7a h VAL 69 Ca 0.11 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.51 3h7a h VAL 69 Cb -0.01 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 3h7a h VAL 69 CO -0.02 0.06 0.37 0.74 0.02 0.00 0.00 177.57 178.74 3h7a h THR 70 N 0.17 1.09 -0.49 2.57 2.02 -1.29 -0.65 112.91 116.32 3h7a h THR 70 Ca 0.05 -0.25 -0.06 0.00 0.77 0.00 0.00 66.41 66.91 3h7a h THR 70 Cb 0.01 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 66.69 3h7a h THR 70 CO -0.01 0.14 0.05 0.00 0.37 0.00 0.00 175.52 176.07 3h7a h ALA 71 N 1.25 0.65 -0.29 6.16 0.00 -0.98 -0.61 119.26 125.45 3h7a h ALA 71 Ca 0.24 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3h7a h ALA 71 Cb -0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3h7a h ALA 71 CO -0.09 0.41 0.08 0.35 0.00 0.00 0.00 179.25 180.00 3h7a h PHE 72 N 0.69 0.14 -0.25 0.00 3.57 -0.53 0.19 116.94 120.76 3h7a h PHE 72 Ca 0.15 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.49 3h7a h PHE 72 Cb 0.43 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.15 3h7a h PHE 72 CO 0.03 0.06 -0.52 -0.07 -2.23 0.00 0.00 178.31 175.58 3h7a h LEU 73 N 0.20 0.79 -0.88 0.59 3.38 -1.04 -1.84 115.31 116.51 3h7a h LEU 73 Ca 0.13 -0.41 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 3h7a h LEU 73 Cb 0.11 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3h7a h LEU 73 CO -0.15 1.16 0.22 0.78 0.09 0.00 0.00 178.44 180.54 3h7a h ASN 74 N 0.56 0.97 -0.70 -0.43 2.35 -0.92 -1.54 115.58 115.87 3h7a h ASN 74 Ca 0.02 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.58 3h7a h ASN 74 Cb 1.09 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 39.17 3h7a h ASN 74 CO 0.11 0.90 0.37 0.00 -1.65 0.00 0.00 177.43 177.16 3h7a h ALA 75 N 1.23 0.90 0.03 -0.83 0.00 -0.46 -0.86 119.26 119.27 3h7a h ALA 75 Ca 0.22 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3h7a h ALA 75 Cb 0.28 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3h7a h ALA 75 CO -0.01 0.43 -0.02 0.00 0.00 0.00 0.00 179.25 179.66 3h7a h ALA 76 N 1.18 -0.05 -0.50 0.00 0.00 -1.20 -2.90 119.26 115.80 3h7a h ALA 76 Ca 0.25 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3h7a h ALA 76 Cb 0.07 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3h7a h ALA 76 CO -0.04 -0.42 0.10 0.22 0.00 0.00 0.00 179.25 179.11 3h7a h ASP 77 N -0.25 0.73 0.08 0.00 3.58 -1.20 -2.55 116.42 116.82 3h7a h ASP 77 Ca -0.00 -0.13 -0.06 0.00 0.42 0.00 0.00 57.03 57.25 3h7a h ASP 77 Cb 0.23 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 3h7a h ASP 77 CO 0.01 0.73 -0.20 0.00 -2.88 0.00 0.00 179.24 176.90 3h7a h ALA 78 N 1.36 1.42 -0.08 -0.78 0.00 -1.16 -3.07 119.26 116.95 3h7a h ALA 78 Ca 0.16 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3h7a h ALA 78 Cb 0.31 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3h7a h ALA 78 CO 0.00 0.41 -0.14 1.25 0.00 0.00 0.00 179.25 180.77 3h7a h HIS 79 N 0.21 0.30 -1.95 0.00 -0.00 -1.25 -3.47 115.15 108.98 3h7a h HIS 79 Ca 0.04 -0.10 -0.04 0.00 -0.00 0.00 0.00 60.37 60.26 3h7a h HIS 79 Cb 0.48 -0.06 -0.20 0.00 -0.00 0.00 0.00 27.41 27.64 3h7a h HIS 79 CO 0.01 0.74 0.22 0.00 -0.00 0.00 0.00 177.93 178.89 3h7a s ALA 80 N -4.02 -1.79 -0.10 5.26 0.00 -1.04 -5.01 121.76 115.06 3h7a s ALA 80 Ca -0.15 1.44 -0.38 0.00 0.00 0.00 0.00 51.96 52.87 3h7a s ALA 80 Cb 0.03 -0.24 -0.16 0.00 0.00 0.00 0.00 23.12 22.75 3h7a s ALA 80 CO 0.73 -0.36 1.55 -2.30 0.00 0.00 0.00 175.76 175.38 3h7a n PRO 81 N 1.14 1.16 -2.18 0.00 -0.02 -1.24 -3.97 135.00 129.89 3h7a n PRO 81 Ca -0.17 0.42 -0.43 0.00 -2.02 0.00 0.00 63.50 61.30 3h7a n PRO 81 Cb 0.57 -2.09 -0.02 0.00 -0.02 0.00 0.00 33.50 31.94 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 2.06 3.98 -0.11 2.45 2.96 -1.26 -0.76 118.68 128.00 3h7a s LEU 82 Ca 0.92 1.65 0.10 0.00 -0.22 0.00 0.00 54.13 56.58 3h7a s LEU 82 Cb -1.01 -3.53 -0.15 0.00 0.50 0.00 0.00 46.19 42.00 3h7a s LEU 82 CO 0.56 -1.14 0.05 -0.62 -1.32 0.00 0.00 176.35 173.89 3h7a n GLU 83 N 7.43 2.01 -3.73 1.98 1.02 -0.41 -4.63 120.64 124.30 3h7a n GLU 83 Ca 0.17 -0.01 -0.17 0.00 -0.02 0.00 0.00 57.16 57.13 3h7a n GLU 83 Cb 0.45 -1.30 -0.17 0.00 -0.02 0.00 0.00 31.44 30.41 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 -2.32 -0.08 -0.14 2.62 1.01 -1.19 -0.27 120.40 120.03 3h7a s VAL 84 Ca -0.06 0.29 -0.01 0.00 0.00 0.00 0.00 61.98 62.20 3h7a s VAL 84 Cb 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 36.38 36.29 3h7a s VAL 84 CO 0.48 0.12 -0.10 -0.89 0.00 0.00 0.00 175.10 174.71 3h7a s THR 85 N 1.46 3.33 -0.28 3.92 2.01 -0.46 -1.02 115.64 124.59 3h7a s THR 85 Ca -0.04 -0.56 -0.01 0.00 0.31 0.00 0.00 61.69 61.39 3h7a s THR 85 Cb -0.13 -2.42 0.05 0.00 0.01 0.00 0.00 72.50 70.01 3h7a s THR 85 CO -0.03 0.51 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.75 3h7a s ILE 86 N 0.40 2.78 -0.28 1.82 1.01 -0.03 -0.59 121.20 126.31 3h7a s ILE 86 Ca -0.08 -1.39 -0.24 0.00 0.00 0.00 0.00 60.65 58.94 3h7a s ILE 86 Cb -0.15 -2.58 -0.00 0.00 0.01 0.00 0.00 42.46 39.73 3h7a s ILE 86 CO 0.04 -0.05 0.82 0.12 0.00 0.00 0.00 174.94 175.88 3h7a s PHE 87 N 1.23 3.24 -0.44 3.97 5.36 -0.06 -1.36 117.98 129.91 3h7a s PHE 87 Ca -0.05 0.95 0.07 0.00 -0.96 0.00 0.00 56.93 56.94 3h7a s PHE 87 Cb -0.19 -3.19 0.23 0.00 -0.34 0.00 0.00 43.02 39.54 3h7a s PHE 87 CO -0.02 -0.52 0.52 -1.71 -1.46 0.00 0.00 175.22 172.03 3h7a n ASN 88 N 6.17 0.63 -4.06 6.13 5.15 0.45 -1.48 115.26 128.25 3h7a n ASN 88 Ca 0.05 -2.76 -0.34 0.00 -0.60 0.00 0.00 54.58 50.93 3h7a n ASN 88 Cb 0.48 -0.63 -0.12 0.00 -0.53 0.00 0.00 39.78 38.98 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 -1.17 3.21 0.00 3.44 1.01 -1.26 -4.31 120.40 121.33 3h7a s VAL 89 Ca 0.35 -2.72 0.00 0.00 0.00 0.00 0.00 61.98 59.61 3h7a s VAL 89 Cb 0.14 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.35 3h7a s VAL 89 CO -0.11 -0.78 0.00 0.61 0.00 0.00 0.00 175.10 174.82 3h7a n GLY 90 N 3.79 0.00 2.29 4.51 0.00 -1.26 -4.61 105.19 109.91 3h7a n GLY 90 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 -0.02 -1.74 4.61 0.00 -1.26 -4.97 120.51 117.13 3h7a n ALA 91 Ca 0.00 0.02 -0.31 0.00 0.00 0.00 0.00 53.44 53.15 3h7a n ALA 91 Cb 0.00 -0.57 -0.04 0.00 0.00 0.00 0.00 19.45 18.84 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 -2.18 4.63 0.11 0.00 3.84 -1.26 -4.86 114.94 115.21 3h7a s ASN 92 Ca 0.00 0.50 0.07 0.00 0.21 0.00 0.00 52.86 53.64 3h7a s ASN 92 Cb 0.00 -2.52 -0.04 0.00 -0.55 0.00 0.00 41.25 38.14 3h7a s ASN 92 CO 0.00 -2.92 -0.18 0.68 -2.79 0.00 0.00 177.10 171.89 3h7a s VAL 93 N 11.64 1.54 -0.09 -5.21 -7.23 -1.26 -5.15 120.40 114.65 3h7a s VAL 93 Ca 0.86 -1.57 0.00 0.00 -1.81 0.00 0.00 61.98 59.46 3h7a s VAL 93 Cb -0.14 -1.49 0.02 0.00 0.56 0.00 0.00 36.38 35.34 3h7a s VAL 93 CO 0.18 -0.19 -0.07 0.21 -0.31 0.00 0.00 175.10 174.92 3h7a s ASN 94 N -2.07 1.83 -0.04 4.85 3.84 -1.26 -4.59 114.94 117.50 3h7a s ASN 94 Ca 0.06 -0.25 -0.02 0.00 0.21 0.00 0.00 52.86 52.86 3h7a s ASN 94 Cb -0.09 -0.74 0.02 0.00 -0.55 0.00 0.00 41.25 39.90 3h7a s ASN 94 CO 0.04 -0.08 0.10 -0.36 -2.79 0.00 0.00 177.10 174.01 3h7a s PHE 95 N 1.36 -0.10 0.84 0.43 0.08 -0.18 -5.03 117.98 115.39 3h7a s PHE 95 Ca -0.02 0.30 -0.15 0.00 0.12 0.00 0.00 56.93 57.17 3h7a s PHE 95 Cb -0.14 -0.05 -0.04 0.00 -0.57 0.00 0.00 43.02 42.23 3h7a s PHE 95 CO -0.04 -0.09 0.21 -2.30 -0.10 0.00 0.00 175.22 172.90 3h7a n PRO 96 N 3.62 0.01 -0.23 0.24 -0.02 -1.26 -4.32 135.00 133.04 3h7a n PRO 96 Ca -0.20 0.04 -0.02 0.00 -2.02 0.00 0.00 63.50 61.31 3h7a n PRO 96 Cb 0.55 -1.65 0.10 0.00 -0.02 0.00 0.00 33.50 32.48 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 -0.91 0.97 0.00 4.25 6.09 -1.96 -1.74 117.51 124.21 3h7a h ILE 97 Ca -0.44 -0.24 -0.04 0.00 -1.37 0.00 0.00 64.86 62.77 3h7a h ILE 97 Cb 1.32 0.22 -0.01 0.00 0.47 0.00 0.00 36.82 38.82 3h7a h ILE 97 CO 0.36 0.13 -0.21 -0.07 -3.07 0.00 0.00 178.15 175.29 3h7a h LEU 98 N 0.69 0.00 -2.36 2.19 3.38 -2.03 -2.17 115.31 115.01 3h7a h LEU 98 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3h7a h LEU 98 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3h7a h LEU 98 CO -0.18 0.21 0.00 -0.62 0.09 0.00 0.00 178.44 177.94 3h7a n GLU 99 N -3.38 2.57 -3.13 1.13 1.02 -0.73 -4.82 120.64 113.29 3h7a n GLU 99 Ca 0.00 -2.28 -0.43 0.00 -0.02 0.00 0.00 57.16 54.43 3h7a n GLU 99 Cb 0.42 -1.53 -0.07 0.00 -0.02 0.00 0.00 31.44 30.24 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 -1.25 4.85 0.52 2.62 2.01 -0.74 -4.79 115.64 118.87 3h7a s THR 100 Ca 0.42 -0.07 -0.08 0.00 0.31 0.00 0.00 61.69 62.28 3h7a s THR 100 Cb 0.23 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 3h7a s THR 100 CO 0.28 -0.64 0.87 0.42 -0.69 0.00 0.00 174.62 174.85 3h7a s THR 101 N 2.74 4.83 0.23 -0.82 -4.23 -1.26 -4.89 115.64 112.24 3h7a s THR 101 Ca 0.20 0.48 -0.07 0.00 -1.18 0.00 0.00 61.69 61.13 3h7a s THR 101 Cb -0.15 -3.85 0.21 0.00 1.34 0.00 0.00 72.50 70.04 3h7a s THR 101 CO 0.17 -0.92 1.70 0.44 -0.54 0.00 0.00 174.62 175.47 3h7a h ASP 102 N 0.15 0.04 -0.38 3.99 5.19 -1.99 -1.89 116.42 121.53 3h7a h ASP 102 Ca -0.46 0.13 -0.05 0.00 -0.62 0.00 0.00 57.03 56.03 3h7a h ASP 102 Cb 1.20 0.17 -0.01 0.00 0.18 0.00 0.00 39.33 40.86 3h7a h ASP 102 CO 0.62 -0.00 0.04 -0.09 -3.12 0.00 0.00 179.24 176.69 3h7a h ARG 103 N 0.29 0.65 -0.05 3.56 2.43 -1.99 -2.24 114.38 117.02 3h7a h ARG 103 Ca 0.38 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 59.37 3h7a h ARG 103 Cb 0.62 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.09 3h7a h ARG 103 CO -0.46 0.72 0.03 0.28 -1.51 0.00 0.00 179.97 179.02 3h7a h VAL 104 N 0.48 1.09 -0.13 0.20 2.07 -1.85 0.20 116.25 118.32 3h7a h VAL 104 Ca 0.11 -0.27 0.03 0.00 0.82 0.00 0.00 66.70 67.39 3h7a h VAL 104 Cb 0.40 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 3h7a h VAL 104 CO 0.01 0.08 -0.04 0.15 0.02 0.00 0.00 177.57 177.79 3h7a h PHE 105 N -0.03 -0.08 -0.49 1.57 3.57 -1.35 0.53 116.94 120.66 3h7a h PHE 105 Ca 0.02 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.44 3h7a h PHE 105 Cb 0.10 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 3h7a h PHE 105 CO -0.04 -0.06 -0.04 -0.09 -2.23 0.00 0.00 178.31 175.85 3h7a h ARG 106 N -0.01 0.90 -0.27 1.11 2.43 -1.37 -2.62 114.38 114.55 3h7a h ARG 106 Ca 0.06 -0.31 -0.06 0.00 -0.81 0.00 0.00 59.98 58.87 3h7a h ARG 106 Cb 0.10 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3h7a h ARG 106 CO -0.14 0.95 -0.05 -0.22 -1.51 0.00 0.00 179.97 179.01 3h7a h LYS 107 N 0.76 0.52 -0.61 0.20 3.64 -0.65 -1.50 116.57 118.92 3h7a h LYS 107 Ca 0.14 -0.19 0.06 0.00 -1.27 0.00 0.00 60.65 59.38 3h7a h LYS 107 Cb 0.57 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.31 3h7a h LYS 107 CO 0.03 0.72 0.32 0.28 -2.27 0.00 0.00 179.45 178.53 3h7a h VAL 108 N 0.28 0.95 -0.88 2.00 2.07 -0.95 -1.36 116.25 118.35 3h7a h VAL 108 Ca 0.07 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 3h7a h VAL 108 Cb 0.51 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 3h7a h VAL 108 CO 0.02 0.11 0.55 -0.25 0.02 0.00 0.00 177.57 178.02 3h7a h TRP 109 N 0.60 1.14 -0.26 1.57 7.01 -1.32 -1.47 115.95 123.23 3h7a h TRP 109 Ca 0.28 0.01 -0.05 0.00 2.11 0.00 0.00 58.89 61.24 3h7a h TRP 109 Cb 0.19 -0.38 -0.01 0.00 -2.10 0.00 0.00 29.16 26.86 3h7a h TRP 109 CO -0.09 0.75 -0.02 0.93 -2.79 0.00 0.00 178.44 177.22 3h7a h GLU 110 N 1.21 0.48 -0.17 2.65 5.08 -0.60 0.20 114.58 123.42 3h7a h GLU 110 Ca 0.32 -0.16 -0.09 0.00 -1.00 0.00 0.00 59.36 58.42 3h7a h GLU 110 Cb -0.08 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 3h7a h GLU 110 CO -0.06 0.66 -0.26 0.52 -1.00 0.00 0.00 179.01 178.86 3h7a h MET 111 N 0.25 0.48 0.00 2.33 2.86 -1.19 -2.12 114.93 117.53 3h7a h MET 111 Ca 0.07 -0.29 -0.06 0.00 -2.06 0.00 0.00 59.70 57.37 3h7a h MET 111 Cb 0.46 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 3h7a h MET 111 CO 0.02 0.88 -2.04 0.00 1.06 0.00 0.00 176.91 176.83 3h7a n ALA 112 N -2.47 2.61 0.03 6.32 0.00 -0.56 -4.36 120.51 122.08 3h7a n ALA 112 Ca -0.06 -0.64 -0.01 0.00 0.00 0.00 0.00 53.44 52.73 3h7a n ALA 112 Cb 0.45 -0.67 -0.00 0.00 0.00 0.00 0.00 19.45 19.22 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 -0.08 -0.15 -0.50 0.00 2.91 -0.80 -1.25 115.95 116.07 3h7a h TRP 114 Ca -0.01 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.04 3h7a h TRP 114 Cb 0.28 0.12 -0.02 0.00 -0.51 0.00 0.00 29.16 29.02 3h7a h TRP 114 CO -0.03 -0.13 0.33 0.00 -1.03 0.00 0.00 178.44 177.58 3h7a h ALA 115 N 1.32 1.63 -0.32 2.65 0.00 -1.58 -1.42 119.26 121.54 3h7a h ALA 115 Ca 0.15 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 3h7a h ALA 115 Cb 0.23 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3h7a h ALA 115 CO -0.32 0.34 -0.49 0.78 0.00 0.00 0.00 179.25 179.55 3h7a h GLY 116 N 0.69 0.98 0.98 0.00 0.00 -1.61 -0.72 103.07 103.38 3h7a h GLY 116 Ca 0.18 -1.10 -0.00 0.00 0.00 0.00 0.00 47.33 46.41 3h7a h GLY 116 CO -0.04 0.99 0.20 -2.75 0.00 0.00 0.00 176.54 174.95 3h7a h PHE 117 N 0.70 0.46 0.09 5.60 3.57 -0.70 0.54 116.94 127.20 3h7a h PHE 117 Ca 0.03 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 3h7a h PHE 117 Cb 1.10 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.69 3h7a h PHE 117 CO 0.07 0.34 -0.04 0.28 -2.23 0.00 0.00 178.31 176.73 3h7a h VAL 118 N 0.44 1.04 -0.97 1.41 2.07 -1.20 0.71 116.25 119.76 3h7a h VAL 118 Ca 0.12 -0.50 0.17 0.00 0.82 0.00 0.00 66.70 67.31 3h7a h VAL 118 Cb 0.02 1.37 -0.09 0.00 -1.52 0.00 0.00 31.29 31.07 3h7a h VAL 118 CO -0.02 0.12 0.61 0.28 0.02 0.00 0.00 177.57 178.58 3h7a h SER 119 N -0.35 0.72 0.07 0.57 0.02 -1.11 -0.71 113.55 112.76 3h7a h SER 119 Ca -0.01 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3h7a h SER 119 Cb 0.30 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.77 3h7a h SER 119 CO 0.02 0.31 -0.03 1.23 -1.14 0.00 0.00 176.83 177.22 3h7a h GLY 120 N 0.74 -0.10 1.22 -3.77 0.00 -0.64 -2.13 103.07 98.39 3h7a h GLY 120 Ca 0.52 0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.86 3h7a h GLY 120 CO -0.29 -0.04 0.34 -0.09 0.00 0.00 0.00 176.54 176.47 3h7a h ARG 121 N -0.77 1.01 -0.04 4.80 2.43 -0.65 -0.62 114.38 120.54 3h7a h ARG 121 Ca -0.01 -0.13 -0.26 0.00 -0.81 0.00 0.00 59.98 58.77 3h7a h ARG 121 Cb 0.60 -0.19 0.02 0.00 -0.42 0.00 0.00 29.97 29.98 3h7a h ARG 121 CO 0.02 0.77 -0.98 0.93 -1.51 0.00 0.00 179.97 179.20 3h7a h GLU 122 N 1.00 0.73 -0.57 0.20 4.39 -1.23 -1.96 114.58 117.14 3h7a h GLU 122 Ca 0.25 -0.73 0.07 0.00 0.34 0.00 0.00 59.36 59.29 3h7a h GLU 122 Cb 0.10 0.20 -0.06 0.00 -0.10 0.00 0.00 28.75 28.88 3h7a h GLU 122 CO -0.03 1.31 0.25 0.77 -1.16 0.00 0.00 179.01 180.15 3h7a h SER 123 N 0.43 0.31 -0.69 1.42 0.02 -1.24 -2.58 113.55 111.22 3h7a h SER 123 Ca -0.11 0.05 0.05 0.00 -0.84 0.00 0.00 61.79 60.94 3h7a h SER 123 Cb 1.63 0.01 -0.05 0.00 0.14 0.00 0.00 62.40 64.12 3h7a h SER 123 CO 0.19 0.20 0.41 0.00 -1.14 0.00 0.00 176.83 176.49 3h7a h ALA 124 N 1.35 0.92 -0.30 3.77 0.00 -1.00 -0.18 119.26 123.83 3h7a h ALA 124 Ca 0.27 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.20 3h7a h ALA 124 Cb 0.27 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3h7a h ALA 124 CO -0.24 0.12 0.14 -0.09 0.00 0.00 0.00 179.25 179.19 3h7a h ARG 125 N 0.77 0.29 -0.20 0.00 2.43 -1.04 -1.47 114.38 115.15 3h7a h ARG 125 Ca 0.30 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.37 3h7a h ARG 125 Cb 0.13 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.61 3h7a h ARG 125 CO -0.15 0.19 -0.20 -0.07 -1.51 0.00 0.00 179.97 178.23 3h7a h LEU 126 N 0.30 0.53 -0.81 3.80 3.38 -1.19 -3.25 115.31 118.07 3h7a h LEU 126 Ca 0.12 -0.47 -0.12 0.00 0.09 0.00 0.00 57.88 57.50 3h7a h LEU 126 Cb 0.05 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3h7a h LEU 126 CO -0.09 0.89 -0.46 0.24 0.09 0.00 0.00 178.44 179.11 3h7a h MET 127 N 0.17 0.31 0.00 1.13 2.86 -0.98 -2.93 114.93 115.48 3h7a h MET 127 Ca 0.03 -0.16 -0.05 0.00 -2.06 0.00 0.00 59.70 57.46 3h7a h MET 127 Cb 0.74 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 3h7a h MET 127 CO 0.05 0.71 -0.22 -0.07 1.06 0.00 0.00 176.91 178.44 3h7a h LEU 128 N 0.25 0.00 -0.36 1.22 3.38 -1.32 -1.48 115.31 116.99 3h7a h LEU 128 Ca 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3h7a h LEU 128 Cb 0.91 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 3h7a h LEU 128 CO 0.08 0.22 0.11 0.00 0.09 0.00 0.00 178.44 178.93 3h7a h ALA 129 N 1.78 0.47 0.00 1.53 0.00 -1.55 -2.76 119.26 118.74 3h7a h ALA 129 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3h7a h ALA 129 Cb 0.55 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3h7a h ALA 129 CO 0.03 0.12 0.00 0.72 0.00 0.00 0.00 179.25 180.12 3h7a n HIS 130 N -4.63 0.00 -1.07 0.00 8.25 -0.87 -4.93 115.22 111.97 3h7a n HIS 130 Ca -0.01 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.43 3h7a n HIS 130 Cb 0.18 -0.37 -0.01 0.00 1.12 0.00 0.00 29.99 30.91 3h7a n HIS 130 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h7a n GLY 131 N 0.81 0.53 3.65 -1.41 0.00 -0.61 -4.98 105.19 103.18 3h7a n GLY 131 Ca 0.09 -0.25 -0.06 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.32 1.08 0.00 1.61 -2.07 -1.06 -4.80 119.66 113.10 3h7a s GLN 132 Ca 0.00 -0.53 0.00 0.00 -1.82 0.00 0.00 55.36 53.01 3h7a s GLN 132 Cb 0.00 0.41 0.00 0.00 -1.09 0.00 0.00 33.01 32.33 3h7a s GLN 132 CO 0.00 -0.49 0.00 0.41 -1.32 0.00 0.00 175.29 173.89 3h7a n GLY 133 N -0.39 1.99 2.93 2.60 0.00 -1.16 -4.56 105.19 106.60 3h7a n GLY 133 Ca -0.07 -1.45 -0.23 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.89 1.22 -0.25 1.61 1.02 0.62 -0.87 119.74 121.20 3h7a s LYS 134 Ca 0.00 -0.22 0.02 0.00 0.02 0.00 0.00 55.97 55.79 3h7a s LYS 134 Cb 0.00 -1.15 0.05 0.00 -0.52 0.00 0.00 37.83 36.21 3h7a s LYS 134 CO 0.00 -0.08 -0.12 0.42 -0.92 0.00 0.00 175.35 174.65 3h7a s ILE 135 N 1.00 2.20 -0.09 2.17 1.01 -0.40 -1.36 121.20 125.73 3h7a s ILE 135 Ca -0.09 -1.53 0.00 0.00 0.00 0.00 0.00 60.65 59.03 3h7a s ILE 135 Cb -0.14 -2.25 -0.02 0.00 0.01 0.00 0.00 42.46 40.05 3h7a s ILE 135 CO -0.00 0.04 -0.10 -0.36 0.00 0.00 0.00 174.94 174.52 3h7a s PHE 136 N 1.13 2.86 -0.06 3.97 0.08 0.24 -1.19 117.98 125.01 3h7a s PHE 136 Ca -0.07 -0.26 0.05 0.00 0.12 0.00 0.00 56.93 56.78 3h7a s PHE 136 Cb -0.19 -1.77 -0.01 0.00 -0.57 0.00 0.00 43.02 40.48 3h7a s PHE 136 CO -0.06 0.09 -0.23 -0.06 -0.10 0.00 0.00 175.22 174.86 3h7a s PHE 137 N -0.28 2.50 -0.18 0.36 0.08 0.15 -0.89 117.98 119.73 3h7a s PHE 137 Ca 0.03 -0.64 -0.23 0.00 0.12 0.00 0.00 56.93 56.21 3h7a s PHE 137 Cb -0.13 -1.62 -0.02 0.00 -0.57 0.00 0.00 43.02 40.68 3h7a s PHE 137 CO 0.03 -0.16 0.71 0.99 -0.10 0.00 0.00 175.22 176.69 3h7a s THR 138 N -0.20 4.97 0.44 0.64 2.01 -0.55 -0.63 115.64 122.31 3h7a s THR 138 Ca -0.02 1.38 0.03 0.00 0.31 0.00 0.00 61.69 63.39 3h7a s THR 138 Cb -0.13 -4.03 0.03 0.00 0.01 0.00 0.00 72.50 68.38 3h7a s THR 138 CO 0.03 0.09 0.25 0.61 -0.69 0.00 0.00 174.62 174.91 3h7a n GLY 139 N 3.60 3.02 3.44 4.40 0.00 0.82 -4.83 105.19 115.64 3h7a n GLY 139 Ca 0.01 -2.29 -0.13 0.00 0.00 0.00 0.00 46.02 43.61 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 -2.66 0.62 0.52 4.61 0.00 -1.26 -2.13 121.76 121.45 3h7a s ALA 140 Ca 0.19 -1.40 0.20 0.00 0.00 0.00 0.00 51.96 50.95 3h7a s ALA 140 Cb -0.02 1.21 1.30 0.00 0.00 0.00 0.00 23.12 25.62 3h7a s ALA 140 CO 0.12 -0.75 2.07 1.79 0.00 0.00 0.00 175.76 178.99 3h7a h THR 141 N 2.28 0.88 0.00 0.00 1.35 -1.94 -0.41 112.91 115.07 3h7a h THR 141 Ca -0.29 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 3h7a h THR 141 Cb 1.25 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 3h7a h THR 141 CO 0.41 0.01 0.00 0.00 -0.25 0.00 0.00 175.52 175.69 3h7a n ALA 142 N -2.58 1.72 0.26 6.62 0.00 -1.26 -0.70 120.51 124.56 3h7a n ALA 142 Ca 0.03 0.04 0.15 0.00 0.00 0.00 0.00 53.44 53.67 3h7a n ALA 142 Cb 0.33 -1.36 0.61 0.00 0.00 0.00 0.00 19.45 19.03 3h7a n ALA 142 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3h7a h SER 143 N 0.00 0.00 0.00 0.00 0.02 -1.34 -3.37 113.55 108.86 3h7a h SER 143 Ca 0.00 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.68 3h7a h SER 143 Cb 0.37 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.86 3h7a h SER 143 CO 0.00 0.07 -2.03 0.18 -1.14 0.00 0.00 176.83 173.91 3h7a n LEU 144 N -3.20 2.57 -3.83 5.07 4.77 0.12 -4.27 117.00 118.23 3h7a n LEU 144 Ca 0.00 -0.08 -0.12 0.00 -0.03 0.00 0.00 56.01 55.78 3h7a n LEU 144 Cb 0.34 -0.50 -0.13 0.00 -2.33 0.00 0.00 43.42 40.81 3h7a n LEU 144 CO 0.29 0.74 -0.22 0.00 -1.33 0.00 0.00 177.39 176.87 3h7a s ARG 145 N -2.36 0.16 -0.38 3.23 1.70 -0.62 -5.12 118.95 115.55 3h7a s ARG 145 Ca -0.22 0.16 -0.21 0.00 -0.47 0.00 0.00 55.73 55.00 3h7a s ARG 145 Cb 0.06 0.08 0.01 0.00 -0.57 0.00 0.00 34.95 34.53 3h7a s ARG 145 CO 0.44 -0.02 0.64 0.20 -1.08 0.00 0.00 175.30 175.49 3h7a s GLY 146 N 0.03 1.73 0.81 3.88 0.00 -1.26 -4.22 107.32 108.29 3h7a s GLY 146 Ca -0.00 -0.96 -0.07 0.00 0.00 0.00 0.00 44.72 43.69 3h7a s GLY 146 CO 0.00 1.51 1.12 -0.32 0.00 0.00 0.00 173.10 175.42 3h7a s GLY 147 N 1.87 1.76 0.15 0.20 0.00 -1.26 -4.95 107.32 105.09 3h7a s GLY 147 Ca 0.24 -1.47 -0.31 0.00 0.00 0.00 0.00 44.72 43.17 3h7a s GLY 147 CO 0.16 -0.84 1.65 -0.45 0.00 0.00 0.00 173.10 173.62 3h7a s SER 148 N -4.78 6.52 0.00 1.64 0.15 -1.26 -1.95 113.70 114.02 3h7a s SER 148 Ca 0.69 2.67 0.00 0.00 0.70 0.00 0.00 55.95 60.01 3h7a s SER 148 Cb -0.05 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 3h7a s SER 148 CO 0.48 -0.89 0.00 0.61 1.20 0.00 0.00 173.24 174.63 3h7a n GLY 149 N 3.90 1.14 1.56 9.45 0.00 -1.26 -4.94 105.19 115.04 3h7a n GLY 149 Ca 0.15 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.19 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 1.78 -0.17 1.61 3.72 -0.82 -1.01 117.46 120.57 3h7a n PHE 150 Ca 0.00 -1.01 -0.02 0.00 -0.05 0.00 0.00 57.45 56.37 3h7a n PHE 150 Cb 0.00 -0.51 0.07 0.00 -0.94 0.00 0.00 39.48 38.10 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 2.60 0.54 0.13 4.37 0.00 -1.82 0.21 119.26 125.29 3h7a h ALA 151 Ca 0.11 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3h7a h ALA 151 Cb 1.91 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.91 3h7a h ALA 151 CO 0.49 -0.35 -0.06 0.00 0.00 0.00 0.00 179.25 179.32 3h7a h ALA 152 N 1.43 -0.17 0.05 0.00 0.00 -1.91 -2.00 119.26 116.66 3h7a h ALA 152 Ca 0.26 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3h7a h ALA 152 Cb 0.38 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3h7a h ALA 152 CO -0.39 -0.41 -0.02 0.35 0.00 0.00 0.00 179.25 178.78 3h7a h PHE 153 N -0.56 -0.06 -0.97 0.00 3.57 -1.79 -2.57 116.94 114.57 3h7a h PHE 153 Ca -0.02 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3h7a h PHE 153 Cb 0.44 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.15 3h7a h PHE 153 CO 0.05 0.31 0.62 0.00 -2.23 0.00 0.00 178.31 177.05 3h7a h ALA 154 N 0.50 1.26 -0.90 2.41 0.00 -0.69 -0.29 119.26 121.55 3h7a h ALA 154 Ca -0.01 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.87 3h7a h ALA 154 Cb 0.39 -0.39 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 3h7a h ALA 154 CO 0.01 0.66 0.59 1.03 0.00 0.00 0.00 179.25 181.54 3h7a h SER 155 N 1.33 0.94 0.10 0.00 0.87 -1.30 0.77 113.55 116.26 3h7a h SER 155 Ca 0.35 -0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.63 3h7a h SER 155 Cb -0.12 -0.21 0.02 0.00 -0.44 0.00 0.00 62.40 61.66 3h7a h SER 155 CO -0.07 0.63 -1.13 0.00 -0.53 0.00 0.00 176.83 175.73 3h7a h ALA 156 N 1.49 0.09 -0.28 6.23 0.00 -0.86 -1.72 119.26 124.20 3h7a h ALA 156 Ca 0.37 -0.74 -0.18 0.00 0.00 0.00 0.00 54.91 54.36 3h7a h ALA 156 Cb 0.09 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3h7a h ALA 156 CO -0.12 0.71 -0.55 0.87 0.00 0.00 0.00 179.25 180.15 3h7a h LYS 157 N 0.33 0.85 -0.63 0.00 1.79 -0.76 -0.84 116.57 117.31 3h7a h LYS 157 Ca -0.15 -0.54 0.06 0.00 -2.18 0.00 0.00 60.65 57.84 3h7a h LYS 157 Cb 1.79 0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 32.45 3h7a h LYS 157 CO 0.22 1.18 0.33 0.74 -1.08 0.00 0.00 179.45 180.84 3h7a h PHE 158 N 0.65 0.61 -0.95 -1.35 -1.00 -0.93 -0.48 116.94 113.49 3h7a h PHE 158 Ca 0.01 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.82 3h7a h PHE 158 Cb 1.15 -0.18 -0.05 0.00 3.61 0.00 0.00 35.95 40.49 3h7a h PHE 158 CO 0.07 0.28 0.59 0.78 -1.61 0.00 0.00 178.31 178.42 3h7a h GLY 159 N 0.62 1.37 1.61 -1.45 0.00 -1.01 -1.75 103.07 102.46 3h7a h GLY 159 Ca 0.29 -0.56 -0.10 0.00 0.00 0.00 0.00 47.33 46.96 3h7a h GLY 159 CO -0.19 0.54 -0.29 -2.00 0.00 0.00 0.00 176.54 174.60 3h7a h LEU 160 N 1.30 0.45 -0.71 3.11 5.85 -0.49 -2.75 115.31 122.08 3h7a h LEU 160 Ca 0.34 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 3h7a h LEU 160 Cb -0.08 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 3h7a h LEU 160 CO -0.07 0.73 0.31 -0.09 -0.34 0.00 0.00 178.44 178.98 3h7a h ARG 161 N 0.39 1.04 -0.25 1.25 2.43 -0.26 -0.59 114.38 118.39 3h7a h ARG 161 Ca 0.05 -0.17 -0.12 0.00 -0.81 0.00 0.00 59.98 58.93 3h7a h ARG 161 Cb 0.71 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 3h7a h ARG 161 CO 0.05 0.84 -0.34 0.00 -1.51 0.00 0.00 179.97 179.02 3h7a h ALA 162 N 1.15 0.94 0.21 2.80 0.00 -1.29 0.38 119.26 123.45 3h7a h ALA 162 Ca 0.24 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3h7a h ALA 162 Cb 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3h7a h ALA 162 CO -0.02 0.62 -0.10 0.28 0.00 0.00 0.00 179.25 180.02 3h7a h VAL 163 N 0.46 0.86 -0.84 0.00 2.07 -1.22 -1.20 116.25 116.38 3h7a h VAL 163 Ca 0.05 -0.47 0.13 0.00 0.82 0.00 0.00 66.70 67.23 3h7a h VAL 163 Cb 0.81 1.14 -0.09 0.00 -1.52 0.00 0.00 31.29 31.63 3h7a h VAL 163 CO 0.07 0.11 0.45 0.00 0.02 0.00 0.00 177.57 178.21 3h7a h ALA 164 N 0.20 1.24 0.02 1.67 0.00 -0.92 -1.34 119.26 120.12 3h7a h ALA 164 Ca -0.03 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3h7a h ALA 164 Cb 0.39 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3h7a h ALA 164 CO 0.05 -0.03 -0.01 1.96 0.00 0.00 0.00 179.25 181.22 3h7a h GLN 165 N 0.68 -0.02 -0.76 0.00 4.20 -0.80 -1.13 115.11 117.27 3h7a h GLN 165 Ca 0.44 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 59.12 3h7a h GLN 165 Cb 0.55 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.30 3h7a h GLN 165 CO -0.32 0.28 0.36 0.77 -0.67 0.00 0.00 178.83 179.25 3h7a h SER 166 N -0.33 0.99 -0.11 1.46 0.02 -1.07 -0.43 113.55 114.07 3h7a h SER 166 Ca -0.00 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 60.82 3h7a h SER 166 Cb 0.32 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 3h7a h SER 166 CO 0.00 0.84 0.01 0.24 -1.14 0.00 0.00 176.83 176.77 3h7a h MET 167 N 1.08 0.18 -0.75 3.45 2.86 -1.24 -2.66 114.93 117.85 3h7a h MET 167 Ca 0.26 -0.06 0.07 0.00 -2.06 0.00 0.00 59.70 57.91 3h7a h MET 167 Cb 0.11 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.69 3h7a h MET 167 CO -0.03 0.42 0.44 0.00 1.06 0.00 0.00 176.91 178.79 3h7a h ALA 168 N 0.76 1.03 -0.41 6.32 0.00 -0.92 0.37 119.26 126.40 3h7a h ALA 168 Ca 0.03 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3h7a h ALA 168 Cb 0.33 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3h7a h ALA 168 CO 0.00 0.13 0.22 0.00 0.00 0.00 0.00 179.25 179.60 3h7a h ARG 169 N 0.79 0.56 0.14 0.00 2.47 -0.99 -1.74 114.38 115.61 3h7a h ARG 169 Ca 0.34 -0.05 -0.35 0.00 -1.26 0.00 0.00 59.98 58.66 3h7a h ARG 169 Cb 0.21 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.41 3h7a h ARG 169 CO -0.19 0.42 -1.83 1.49 0.56 0.00 0.00 179.97 180.42 3h7a h GLU 170 N 0.57 0.29 0.00 0.04 4.81 -1.05 -3.43 114.58 115.81 3h7a h GLU 170 Ca 0.15 -0.49 -0.08 0.00 -0.13 0.00 0.00 59.36 58.81 3h7a h GLU 170 Cb 0.03 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 3h7a h GLU 170 CO -0.02 1.23 -2.00 1.28 -0.73 0.00 0.00 179.01 178.77 3h7a n LEU 171 N -3.61 0.07 -0.27 1.64 4.77 0.12 -4.29 117.00 115.43 3h7a n LEU 171 Ca -0.29 0.03 -0.03 0.00 -0.03 0.00 0.00 56.01 55.69 3h7a n LEU 171 Cb 1.02 0.10 0.09 0.00 -2.33 0.00 0.00 43.42 42.30 3h7a n LEU 171 CO 0.44 0.09 1.17 0.24 -1.33 0.00 0.00 177.39 178.00 3h7a h MET 172 N 0.00 0.91 0.00 3.23 2.86 -1.26 -0.64 114.93 120.02 3h7a h MET 172 Ca -0.11 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 3h7a h MET 172 Cb 1.26 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.72 3h7a h MET 172 CO 0.01 0.60 0.00 -2.30 1.06 0.00 0.00 176.91 176.28 3h7a n PRO 173 N -4.63 0.09 -0.74 -0.22 -0.02 -1.26 -1.97 135.00 126.26 3h7a n PRO 173 Ca 0.09 0.52 0.02 0.00 -2.02 0.00 0.00 63.50 62.11 3h7a n PRO 173 Cb 0.09 -1.76 0.28 0.00 -0.02 0.00 0.00 33.50 32.10 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 -1.95 3.25 -2.21 -0.52 5.02 -0.32 -4.96 118.16 116.48 3h7a n LYS 174 Ca 0.00 -3.02 -0.11 0.00 -2.02 0.00 0.00 58.31 53.17 3h7a n LYS 174 Cb 0.07 -2.01 -0.01 0.00 -0.02 0.00 0.00 35.03 33.06 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 -0.36 -3.58 -4.20 4.39 5.15 -0.83 -4.71 115.26 111.11 3h7a n ASN 175 Ca 0.30 -0.01 -0.34 0.00 -0.60 0.00 0.00 54.58 53.93 3h7a n ASN 175 Cb 1.11 -2.82 -0.15 0.00 -0.53 0.00 0.00 39.78 37.39 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 -2.55 2.60 -0.77 -1.44 1.01 -0.78 -2.99 121.20 116.27 3h7a s ILE 176 Ca 0.00 -0.76 -0.24 0.00 0.00 0.00 0.00 60.65 59.65 3h7a s ILE 176 Cb 0.00 -2.13 0.06 0.00 0.01 0.00 0.00 42.46 40.39 3h7a s ILE 176 CO 0.00 0.49 1.18 -2.28 0.00 0.00 0.00 174.94 174.33 3h7a s HIS 177 N 1.35 2.55 -0.10 3.97 5.65 -0.05 -3.16 115.29 125.50 3h7a s HIS 177 Ca 0.05 -0.49 -0.23 0.00 0.25 0.00 0.00 55.06 54.64 3h7a s HIS 177 Cb -0.14 -4.48 -0.03 0.00 -1.18 0.00 0.00 32.58 26.75 3h7a s HIS 177 CO -0.09 -1.84 0.69 0.08 -0.65 0.00 0.00 174.74 172.92 3h7a s VAL 178 N 4.70 5.04 0.04 0.89 1.01 -1.26 -1.28 120.40 129.54 3h7a s VAL 178 Ca 0.32 1.39 -0.01 0.00 0.00 0.00 0.00 61.98 63.68 3h7a s VAL 178 Cb -0.10 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 3h7a s VAL 178 CO 0.07 0.22 -0.02 0.00 0.00 0.00 0.00 175.10 175.37 3h7a s ALA 179 N 1.05 0.31 -0.24 5.51 0.00 -0.33 -4.54 121.76 123.52 3h7a s ALA 179 Ca 0.36 -0.92 -0.01 0.00 0.00 0.00 0.00 51.96 51.39 3h7a s ALA 179 Cb -0.17 0.22 0.07 0.00 0.00 0.00 0.00 23.12 23.24 3h7a s ALA 179 CO 0.16 -0.29 0.02 -1.58 0.00 0.00 0.00 175.76 174.08 3h7a s HIS 180 N -2.88 1.73 -0.43 0.00 2.46 0.47 -0.68 115.29 115.96 3h7a s HIS 180 Ca -0.03 -1.44 -0.16 0.00 0.47 0.00 0.00 55.06 53.91 3h7a s HIS 180 Cb 0.00 -1.44 0.03 0.00 -0.13 0.00 0.00 32.58 31.05 3h7a s HIS 180 CO -0.06 -0.74 0.37 -1.17 -2.47 0.00 0.00 174.74 170.67 3h7a s LEU 181 N 1.62 5.15 -0.09 8.88 2.96 0.19 -2.20 118.68 135.19 3h7a s LEU 181 Ca 0.00 -0.93 -0.22 0.00 -0.22 0.00 0.00 54.13 52.76 3h7a s LEU 181 Cb -0.18 -2.24 -0.04 0.00 0.50 0.00 0.00 46.19 44.24 3h7a s LEU 181 CO -0.12 -0.55 0.63 -0.63 -1.32 0.00 0.00 176.35 174.37 3h7a s ILE 182 N 1.84 5.08 -0.13 6.68 1.01 0.47 -0.13 121.20 136.03 3h7a s ILE 182 Ca 0.07 1.29 -0.01 0.00 0.00 0.00 0.00 60.65 62.00 3h7a s ILE 182 Cb -0.20 -3.97 -0.02 0.00 0.01 0.00 0.00 42.46 38.29 3h7a s ILE 182 CO 0.10 0.26 -0.11 -0.63 0.00 0.00 0.00 174.94 174.56 3h7a s ILE 183 N 0.85 3.24 -0.21 2.92 1.01 -0.91 -1.31 121.20 126.79 3h7a s ILE 183 Ca 0.34 -0.60 -0.18 0.00 0.00 0.00 0.00 60.65 60.21 3h7a s ILE 183 Cb -0.17 -2.37 -0.19 0.00 0.01 0.00 0.00 42.46 39.75 3h7a s ILE 183 CO 0.15 0.52 0.11 0.47 0.00 0.00 0.00 174.94 176.19 3h7a n ASP 184 N 3.41 1.91 0.00 3.58 9.92 -1.12 -3.44 116.55 130.82 3h7a n ASP 184 Ca -0.18 0.36 0.00 0.00 -0.53 0.00 0.00 54.79 54.44 3h7a n ASP 184 Cb 0.53 -0.91 0.00 0.00 -0.64 0.00 0.00 41.12 40.10 3h7a n ASP 184 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 3h7a n MET 212 N -4.25 0.00 0.00 -1.24 2.00 -1.26 -4.79 117.12 107.58 3h7a n MET 212 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.33 3h7a n MET 212 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 33.22 34.00 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 0.00 0.00 -0.06 0.03 -0.02 -1.26 -4.87 135.00 128.82 3h7a n PRO 213 Ca 0.00 0.00 0.25 0.00 -2.02 0.00 0.00 63.50 61.73 3h7a n PRO 213 Cb 0.00 0.00 0.72 0.00 -0.02 0.00 0.00 33.50 34.20 3h7a n PRO 213 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3h7a h PRO 214 N 0.00 0.00 -0.51 0.52 0.11 -1.96 -0.19 132.00 129.97 3h7a h PRO 214 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 3h7a h PRO 214 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 3h7a h PRO 214 CO 0.00 0.00 0.19 0.00 -0.21 0.00 0.00 178.00 177.98 3h7a h ALA 215 N 1.50 1.38 -0.29 -0.75 0.00 -1.89 -2.82 119.26 116.38 3h7a h ALA 215 Ca 0.32 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3h7a h ALA 215 Cb 1.45 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 3h7a h ALA 215 CO -0.00 0.46 -0.12 0.00 0.00 0.00 0.00 179.25 179.59 3h7a h ALA 216 N 1.48 1.25 -0.64 0.00 0.00 -1.40 -1.40 119.26 118.55 3h7a h ALA 216 Ca 0.17 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 3h7a h ALA 216 Cb 0.16 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3h7a h ALA 216 CO -0.01 0.49 0.14 0.28 0.00 0.00 0.00 179.25 180.15 3h7a h VAL 217 N 0.46 1.26 -0.42 0.00 2.07 -1.45 -1.91 116.25 116.26 3h7a h VAL 217 Ca 0.09 -0.96 -0.07 0.00 0.82 0.00 0.00 66.70 66.57 3h7a h VAL 217 Cb 0.49 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 3h7a h VAL 217 CO 0.03 0.36 -0.04 0.00 0.02 0.00 0.00 177.57 177.94 3h7a h ALA 218 N 1.05 1.16 -0.37 1.67 0.00 -1.22 -1.96 119.26 119.58 3h7a h ALA 218 Ca 0.20 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3h7a h ALA 218 Cb 0.38 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3h7a h ALA 218 CO 0.01 0.54 0.04 0.78 0.00 0.00 0.00 179.25 180.61 3h7a h GLY 219 N 0.95 0.68 0.90 0.00 0.00 -1.11 -2.05 103.07 102.45 3h7a h GLY 219 Ca 0.12 -0.47 0.03 0.00 0.00 0.00 0.00 47.33 47.01 3h7a h GLY 219 CO 0.02 0.44 0.59 0.00 0.00 0.00 0.00 176.54 177.59 3h7a h ALA 220 N 0.89 1.18 -0.53 3.60 0.00 -1.10 0.42 119.26 123.73 3h7a h ALA 220 Ca 0.11 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3h7a h ALA 220 Cb 0.41 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3h7a h ALA 220 CO 0.01 0.46 0.03 1.88 0.00 0.00 0.00 179.25 181.63 3h7a h TYR 221 N 1.15 0.93 -0.57 0.00 0.05 -1.28 -2.00 116.97 115.25 3h7a h TYR 221 Ca 0.35 -0.13 -0.04 0.00 0.05 0.00 0.00 58.73 58.96 3h7a h TYR 221 Cb -0.03 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.43 3h7a h TYR 221 CO -0.01 0.84 0.21 2.35 -1.05 0.00 0.00 178.16 180.49 3h7a h TRP 222 N 0.82 0.89 -0.48 4.88 2.91 -0.61 0.07 115.95 124.42 3h7a h TRP 222 Ca 0.16 -0.08 0.09 0.00 1.13 0.00 0.00 58.89 60.20 3h7a h TRP 222 Cb 0.45 -0.26 -0.08 0.00 -0.51 0.00 0.00 29.16 28.75 3h7a h TRP 222 CO 0.03 0.73 -0.04 1.96 -1.03 0.00 0.00 178.44 180.09 3h7a h GLN 223 N 0.79 0.08 -0.46 2.65 4.20 -0.73 -0.02 115.11 121.62 3h7a h GLN 223 Ca 0.19 -0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.81 3h7a h GLN 223 Cb 0.23 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 3h7a h GLN 223 CO -0.01 0.05 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.09 3h7a h LEU 224 N 0.08 0.75 -0.48 1.46 3.38 -1.03 -2.71 115.31 116.76 3h7a h LEU 224 Ca 0.24 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3h7a h LEU 224 Cb 0.36 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3h7a h LEU 224 CO -0.43 0.85 0.19 0.22 0.09 0.00 0.00 178.44 179.35 3h7a h TYR 225 N 0.72 0.74 0.00 1.13 3.20 -0.34 -3.12 116.97 119.30 3h7a h TYR 225 Ca 0.13 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.94 3h7a h TYR 225 Cb 0.50 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.55 3h7a h TYR 225 CO 0.03 0.63 0.00 1.96 -1.64 0.00 0.00 178.16 179.14 3h7a h GLN 226 N 0.64 0.00 -6.64 1.82 1.08 -0.71 -3.45 115.11 107.86 3h7a h GLN 226 Ca 0.16 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.83 3h7a h GLN 226 Cb 0.21 0.00 0.06 0.00 -0.05 0.00 0.00 27.48 27.70 3h7a h GLN 226 CO -0.01 0.00 0.99 1.04 -0.95 0.00 0.00 178.83 179.89 3h7a n GLN 227 N -2.90 2.70 -2.24 1.46 6.02 -1.09 -5.00 117.38 116.33 3h7a n GLN 227 Ca -0.00 0.97 -0.32 0.00 -0.01 0.00 0.00 57.00 57.64 3h7a n GLN 227 Cb 0.22 -2.81 -0.02 0.00 1.02 0.00 0.00 30.24 28.66 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 1.13 3.69 0.66 -1.09 0.04 -1.26 -4.91 135.00 133.26 3h7a s PRO 228 Ca 0.76 1.05 0.40 0.00 0.04 0.00 0.00 61.00 63.25 3h7a s PRO 228 Cb -0.53 -2.09 2.22 0.00 0.04 0.00 0.00 34.50 34.14 3h7a s PRO 228 CO 0.33 -0.49 2.26 -0.22 0.04 0.00 0.00 177.00 178.92 3h7a h LYS 229 N 0.69 0.00 0.00 4.56 3.64 -1.99 -0.35 116.57 123.12 3h7a h LYS 229 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 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 -0.15 -1.13 -2.27 0.00 0.00 179.45 176.50 3h7a n SER 230 N -3.09 0.58 -3.14 4.20 3.41 -1.26 -4.08 113.62 110.23 3h7a n SER 230 Ca -0.03 0.41 -0.19 0.00 -0.26 0.00 0.00 58.87 58.81 3h7a n SER 230 Cb 0.15 -0.47 -0.03 0.00 -0.26 0.00 0.00 64.21 63.59 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 -1.70 1.81 -2.63 7.33 0.00 -0.15 -5.11 120.51 120.06 3h7a n ALA 231 Ca 0.05 -3.20 -0.38 0.00 0.00 0.00 0.00 53.44 49.91 3h7a n ALA 231 Cb 0.40 -0.93 -0.06 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.78 3.59 -0.22 0.00 0.51 -1.19 -4.45 118.94 115.41 3h7a s TRP 232 Ca 0.37 1.05 -0.10 0.00 -2.12 0.00 0.00 56.10 55.30 3h7a s TRP 232 Cb 0.29 -2.59 -0.05 0.00 -0.81 0.00 0.00 33.47 30.31 3h7a s TRP 232 CO -0.09 0.25 0.13 0.95 -0.51 0.00 0.00 176.95 177.68 3h7a s THR 233 N 0.27 5.30 -0.03 2.01 -4.23 -1.26 -5.01 115.64 112.69 3h7a s THR 233 Ca 0.29 0.15 -0.19 0.00 -1.18 0.00 0.00 61.69 60.76 3h7a s THR 233 Cb -0.17 -3.44 -0.12 0.00 1.34 0.00 0.00 72.50 70.12 3h7a s THR 233 CO 0.14 0.40 0.83 0.15 -0.54 0.00 0.00 174.62 175.60 3h7a h PHE 234 N 7.06 -0.49 -3.33 3.99 3.57 -1.96 -3.44 116.94 122.34 3h7a h PHE 234 Ca -0.39 -0.01 -0.68 0.00 3.53 0.00 0.00 57.97 60.42 3h7a h PHE 234 Cb 1.16 0.16 -0.32 0.00 2.79 0.00 0.00 35.95 39.74 3h7a h PHE 234 CO 0.62 -0.21 -0.86 -2.00 -2.23 0.00 0.00 178.31 173.63 3h7a s GLU 235 N -3.72 3.11 -0.02 1.11 2.12 -1.26 -0.39 118.70 119.64 3h7a s GLU 235 Ca -0.11 -0.84 0.01 0.00 0.36 0.00 0.00 54.97 54.39 3h7a s GLU 235 Cb 0.01 -2.37 0.01 0.00 0.26 0.00 0.00 34.13 32.04 3h7a s GLU 235 CO 0.35 0.18 -0.03 1.41 -0.54 0.00 0.00 175.26 176.63 3h7a s MET 236 N 0.36 0.42 -0.11 4.30 1.75 -0.93 -4.99 119.30 120.09 3h7a s MET 236 Ca -0.17 -0.07 0.02 0.00 -1.25 0.00 0.00 55.69 54.22 3h7a s MET 236 Cb -0.18 -0.47 -0.01 0.00 2.84 0.00 0.00 34.83 37.02 3h7a s MET 236 CO 0.08 -0.01 -0.19 -2.00 -0.65 0.00 0.00 175.02 172.25 3h7a s GLU 237 N 0.43 3.21 0.13 4.11 2.12 -1.26 -0.40 118.70 127.04 3h7a s GLU 237 Ca -0.05 -0.79 0.10 0.00 0.36 0.00 0.00 54.97 54.60 3h7a s GLU 237 Cb -0.08 -2.46 -0.04 0.00 0.26 0.00 0.00 34.13 31.82 3h7a s GLU 237 CO -0.01 0.20 -0.25 0.96 -0.54 0.00 0.00 175.26 175.62 3h7a s ILE 238 N 0.34 2.12 -0.01 -3.70 -4.36 -0.43 -4.97 121.20 110.19 3h7a s ILE 238 Ca -0.15 -1.75 -0.28 0.00 -0.26 0.00 0.00 60.65 58.21 3h7a s ILE 238 Cb -0.17 -1.90 0.09 0.00 1.25 0.00 0.00 42.46 41.72 3h7a s ILE 238 CO 0.07 0.01 0.75 0.00 0.24 0.00 0.00 174.94 176.01 3h7a s ARG 239 N -2.13 1.00 0.45 0.37 1.70 -1.26 -2.79 118.95 116.29 3h7a s ARG 239 Ca 0.13 -0.03 -0.05 0.00 -0.47 0.00 0.00 55.73 55.31 3h7a s ARG 239 Cb -0.10 0.47 -0.04 0.00 -0.57 0.00 0.00 34.95 34.71 3h7a s ARG 239 CO 0.06 -0.37 0.75 -1.25 -1.08 0.00 0.00 175.30 173.42 3h7a s PRO 240 N -2.10 3.56 0.00 3.89 0.04 -1.26 -5.06 135.00 134.06 3h7a s PRO 240 Ca -0.04 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.16 3h7a s PRO 240 Cb -0.00 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 32.12 3h7a s PRO 240 CO -0.00 -0.14 0.02 0.66 0.04 0.00 0.00 177.00 177.58