#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h7a s PRO 3 N 0.00 4.27 0.31 -2.82 0.04 -1.26 -4.84 135.00 130.70 3h7a s PRO 3 Ca 0.00 2.30 -0.27 0.00 0.04 0.00 0.00 61.00 63.07 3h7a s PRO 3 Cb 0.00 -3.11 -0.09 0.00 0.04 0.00 0.00 34.50 31.34 3h7a s PRO 3 CO 0.00 -0.41 1.02 1.03 0.04 0.00 0.00 177.00 178.68 3h7a s ARG 4 N -0.47 4.55 -1.42 4.56 0.52 -0.19 -4.95 118.95 121.55 3h7a s ARG 4 Ca 0.59 1.56 -0.10 0.00 -0.52 0.00 0.00 55.73 57.26 3h7a s ARG 4 Cb -0.42 -2.96 0.07 0.00 0.52 0.00 0.00 34.95 32.16 3h7a s ARG 4 CO 0.44 0.20 2.32 -1.71 0.02 0.00 0.00 175.30 176.57 3h7a n ASN 5 N 0.80 6.17 -3.55 0.23 4.05 -1.26 -4.64 115.26 117.06 3h7a n ASN 5 Ca 0.01 -2.92 -0.17 0.00 0.45 0.00 0.00 54.58 51.95 3h7a n ASN 5 Cb 0.48 -1.52 -0.06 0.00 1.23 0.00 0.00 39.78 39.90 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 1.23 -1.62 0.15 5.20 0.00 -1.26 -4.03 121.76 121.43 3h7a s ALA 6 Ca 0.51 1.12 0.07 0.00 0.00 0.00 0.00 51.96 53.66 3h7a s ALA 6 Cb 0.15 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 3h7a s ALA 6 CO -0.06 -0.39 -0.05 0.95 0.00 0.00 0.00 175.76 176.22 3h7a s THR 7 N -1.41 3.53 -0.15 0.00 -4.23 -0.19 -1.86 115.64 111.33 3h7a s THR 7 Ca -0.10 -1.40 0.02 0.00 -1.18 0.00 0.00 61.69 59.02 3h7a s THR 7 Cb -0.01 -2.73 0.01 0.00 1.34 0.00 0.00 72.50 71.11 3h7a s THR 7 CO 0.07 -0.03 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.23 3h7a s VAL 8 N -1.56 2.17 -0.26 2.29 1.01 -0.35 -1.16 120.40 122.55 3h7a s VAL 8 Ca 0.25 -0.94 -0.18 0.00 0.00 0.00 0.00 61.98 61.11 3h7a s VAL 8 Cb -0.10 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 3h7a s VAL 8 CO 0.16 0.54 0.53 0.00 0.00 0.00 0.00 175.10 176.34 3h7a s ALA 9 N 0.88 3.59 -0.47 5.51 0.00 0.14 -0.82 121.76 130.59 3h7a s ALA 9 Ca -0.05 -0.58 -0.10 0.00 0.00 0.00 0.00 51.96 51.23 3h7a s ALA 9 Cb -0.15 -2.91 0.12 0.00 0.00 0.00 0.00 23.12 20.17 3h7a s ALA 9 CO -0.03 -0.75 0.35 0.08 0.00 0.00 0.00 175.76 175.40 3h7a s VAL 10 N 2.34 4.27 -0.61 0.00 1.01 0.38 -0.31 120.40 127.47 3h7a s VAL 10 Ca 0.22 -1.75 -0.22 0.00 0.00 0.00 0.00 61.98 60.23 3h7a s VAL 10 Cb -0.16 -3.80 0.07 0.00 0.00 0.00 0.00 36.38 32.49 3h7a s VAL 10 CO 0.09 -0.76 0.89 -0.63 0.00 0.00 0.00 175.10 174.69 3h7a s ILE 11 N 1.38 4.45 0.00 2.22 1.01 -0.09 -1.87 121.20 128.31 3h7a s ILE 11 Ca 0.05 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.40 3h7a s ILE 11 Cb -0.26 -4.59 0.00 0.00 0.01 0.00 0.00 42.46 37.62 3h7a s ILE 11 CO -0.00 -1.27 0.00 0.61 0.00 0.00 0.00 174.94 174.28 3h7a n GLY 12 N 5.26 0.65 1.73 6.18 0.00 -0.77 -0.43 105.19 117.81 3h7a n GLY 12 Ca -0.04 -0.71 0.06 0.00 0.00 0.00 0.00 46.02 45.33 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 3.72 0.32 4.61 0.00 0.31 -4.24 120.51 125.23 3h7a n ALA 13 Ca 0.00 -1.68 0.12 0.00 0.00 0.00 0.00 53.44 51.88 3h7a n ALA 13 Cb 0.00 -1.11 0.10 0.00 0.00 0.00 0.00 19.45 18.43 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 4.16 0.00 -1.74 0.00 0.00 -1.91 -3.34 103.07 100.24 3h7a h GLY 14 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 3h7a h GLY 14 CO 0.43 0.00 -0.06 0.51 0.00 0.00 0.00 176.54 177.42 3h7a s ASP 15 N -4.95 4.97 0.20 0.19 1.47 -1.26 -4.96 116.67 112.33 3h7a s ASP 15 Ca 0.03 -0.74 -0.08 0.00 1.18 0.00 0.00 52.55 52.94 3h7a s ASP 15 Cb 0.11 0.21 0.12 0.00 -0.34 0.00 0.00 42.92 43.02 3h7a s ASP 15 CO 0.75 -1.43 1.69 1.88 0.68 0.00 0.00 175.17 178.74 3h7a h TYR 16 N 0.05 1.17 0.19 2.11 0.05 -1.96 -1.62 116.97 116.96 3h7a h TYR 16 Ca -0.31 -0.16 -0.01 0.00 0.05 0.00 0.00 58.73 58.29 3h7a h TYR 16 Cb 1.28 -0.32 0.00 0.00 1.01 0.00 0.00 36.73 38.70 3h7a h TYR 16 CO 0.31 0.98 -0.09 0.82 -1.05 0.00 0.00 178.16 179.13 3h7a h ILE 17 N 1.03 0.82 -0.82 -2.88 2.04 -1.95 -1.19 117.51 114.56 3h7a h ILE 17 Ca 0.20 -0.01 0.04 0.00 1.00 0.00 0.00 64.86 66.10 3h7a h ILE 17 Cb 0.45 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 37.30 3h7a h ILE 17 CO 0.01 0.00 0.52 1.23 0.00 0.00 0.00 178.15 179.91 3h7a h GLY 18 N -0.25 1.21 1.01 5.37 0.00 -1.71 -0.47 103.07 108.22 3h7a h GLY 18 Ca -0.03 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 46.86 3h7a h GLY 18 CO 0.04 0.31 0.14 0.00 0.00 0.00 0.00 176.54 177.03 3h7a h ALA 19 N 1.36 0.76 -0.33 3.60 0.00 -1.18 -1.87 119.26 121.60 3h7a h ALA 19 Ca 0.34 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3h7a h ALA 19 Cb 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3h7a h ALA 19 CO -0.13 0.47 -0.20 0.93 0.00 0.00 0.00 179.25 180.31 3h7a h GLU 20 N 0.83 0.62 -0.39 0.00 4.39 -0.77 -0.28 114.58 118.99 3h7a h GLU 20 Ca 0.18 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 3h7a h GLU 20 Cb 0.35 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 3h7a h GLU 20 CO 0.00 0.79 0.20 0.82 -1.16 0.00 0.00 179.01 179.66 3h7a h ILE 21 N 0.55 1.16 -0.17 3.13 2.04 -0.91 -0.89 117.51 122.43 3h7a h ILE 21 Ca 0.08 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.51 3h7a h ILE 21 Cb 0.66 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 3h7a h ILE 21 CO 0.05 0.17 0.09 0.00 0.00 0.00 0.00 178.15 178.46 3h7a h ALA 22 N 1.05 0.22 -0.69 1.87 0.00 -1.09 -1.70 119.26 118.93 3h7a h ALA 22 Ca 0.13 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.10 3h7a h ALA 22 Cb 0.09 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.73 3h7a h ALA 22 CO -0.02 -0.25 0.29 0.87 0.00 0.00 0.00 179.25 180.14 3h7a h LYS 23 N 0.18 0.47 -0.02 0.00 1.57 -0.92 -1.04 116.57 116.81 3h7a h LYS 23 Ca 0.06 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3h7a h LYS 23 Cb 0.07 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 3h7a h LYS 23 CO -0.01 0.31 -0.00 -0.22 -0.57 0.00 0.00 179.45 178.96 3h7a h LYS 24 N 0.48 0.03 -0.01 3.15 1.63 -0.78 -0.70 116.57 120.36 3h7a h LYS 24 Ca 0.35 -0.01 -0.11 0.00 -0.85 0.00 0.00 60.65 60.03 3h7a h LYS 24 Cb 0.45 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.07 3h7a h LYS 24 CO -0.33 0.35 -0.51 0.74 -3.45 0.00 0.00 179.45 176.26 3h7a h PHE 25 N -0.29 0.04 -0.19 1.91 0.04 -1.21 -1.91 116.94 115.33 3h7a h PHE 25 Ca 0.00 -0.01 -0.14 0.00 2.80 0.00 0.00 57.97 60.62 3h7a h PHE 25 Cb 0.34 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 3h7a h PHE 25 CO 0.04 0.54 -0.49 0.00 -0.60 0.00 0.00 178.31 177.80 3h7a h ALA 26 N 1.46 0.80 0.00 2.45 0.00 -1.18 -1.73 119.26 121.07 3h7a h ALA 26 Ca -0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 3h7a h ALA 26 Cb 0.91 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3h7a h ALA 26 CO 0.07 0.67 -0.19 0.00 0.00 0.00 0.00 179.25 179.79 3h7a h ALA 27 N 1.07 1.22 -0.50 0.00 0.00 -0.68 -2.13 119.26 118.23 3h7a h ALA 27 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3h7a h ALA 27 Cb 1.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3h7a h ALA 27 CO 0.09 0.24 0.00 0.39 0.00 0.00 0.00 179.25 179.97 3h7a n GLU 28 N -3.64 2.22 -0.12 0.00 -0.58 -0.76 -4.94 120.64 112.82 3h7a n GLU 28 Ca -0.01 -1.89 0.00 0.00 -0.42 0.00 0.00 57.16 54.84 3h7a n GLU 28 Cb 0.32 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.77 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 1.34 0.88 3.89 0.62 0.00 -0.80 -4.86 105.19 106.27 3h7a n GLY 29 Ca 0.18 0.00 -0.30 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 -2.03 3.47 -0.17 1.61 0.08 -0.67 -1.02 117.98 119.24 3h7a s PHE 30 Ca 0.00 0.82 -0.26 0.00 0.12 0.00 0.00 56.93 57.62 3h7a s PHE 30 Cb 0.00 -2.25 -0.01 0.00 -0.57 0.00 0.00 43.02 40.18 3h7a s PHE 30 CO 0.00 0.07 0.86 0.99 -0.10 0.00 0.00 175.22 177.04 3h7a s THR 31 N -2.17 4.86 -0.18 0.64 2.01 -0.78 -4.24 115.64 115.79 3h7a s THR 31 Ca 0.47 1.68 -0.15 0.00 0.31 0.00 0.00 61.69 64.00 3h7a s THR 31 Cb -0.11 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.20 3h7a s THR 31 CO 0.29 0.01 0.36 -0.69 -0.69 0.00 0.00 174.62 173.90 3h7a s VAL 32 N 2.25 5.25 -0.40 3.82 1.01 -0.77 -1.22 120.40 130.34 3h7a s VAL 32 Ca 0.39 0.65 -0.18 0.00 0.00 0.00 0.00 61.98 62.84 3h7a s VAL 32 Cb -0.16 -3.69 0.01 0.00 0.00 0.00 0.00 36.38 32.53 3h7a s VAL 32 CO 0.12 0.32 0.52 -0.36 0.00 0.00 0.00 175.10 175.70 3h7a s PHE 33 N 0.87 3.15 -0.17 5.22 0.40 -0.00 -0.26 117.98 127.18 3h7a s PHE 33 Ca 0.18 -0.07 -0.04 0.00 -0.60 0.00 0.00 56.93 56.40 3h7a s PHE 33 Cb -0.14 -3.02 -0.02 0.00 0.51 0.00 0.00 43.02 40.35 3h7a s PHE 33 CO 0.06 -0.67 -0.04 0.00 0.70 0.00 0.00 175.22 175.27 3h7a s ALA 34 N 2.41 2.95 -0.04 5.36 0.00 -0.21 -0.47 121.76 131.75 3h7a s ALA 34 Ca 0.17 -0.90 0.06 0.00 0.00 0.00 0.00 51.96 51.28 3h7a s ALA 34 Cb -0.16 -1.59 -0.01 0.00 0.00 0.00 0.00 23.12 21.37 3h7a s ALA 34 CO 0.15 0.06 -0.21 0.20 0.00 0.00 0.00 175.76 175.96 3h7a s GLY 35 N 0.63 1.08 0.16 0.00 0.00 -0.78 -1.14 107.32 107.28 3h7a s GLY 35 Ca -0.03 -0.88 -0.06 0.00 0.00 0.00 0.00 44.72 43.75 3h7a s GLY 35 CO 0.02 -0.57 0.22 1.09 0.00 0.00 0.00 173.10 173.86 3h7a s ARG 36 N -0.19 1.11 0.17 2.90 1.70 -1.17 -0.53 118.95 122.94 3h7a s ARG 36 Ca -0.00 -1.29 -0.15 0.00 -0.47 0.00 0.00 55.73 53.82 3h7a s ARG 36 Cb -0.11 0.34 0.13 0.00 -0.57 0.00 0.00 34.95 34.74 3h7a s ARG 36 CO 0.02 -0.38 1.70 0.00 -1.08 0.00 0.00 175.30 175.55 3h7a h ARG 37 N 2.63 0.11 -4.15 3.89 3.08 -1.85 0.14 114.38 118.23 3h7a h ARG 37 Ca -0.33 -0.01 -0.72 0.00 0.07 0.00 0.00 59.98 59.00 3h7a h ARG 37 Cb 1.22 -0.03 -0.31 0.00 0.08 0.00 0.00 29.97 30.93 3h7a h ARG 37 CO 0.51 0.08 -0.37 1.21 -1.07 0.00 0.00 179.97 180.32 3h7a s ASN 38 N -5.26 5.63 0.57 7.04 3.04 -1.26 -3.90 114.94 120.79 3h7a s ASN 38 Ca -0.13 -2.19 0.32 0.00 0.04 0.00 0.00 52.86 50.89 3h7a s ASN 38 Cb 0.15 -1.97 1.71 0.00 -1.54 0.00 0.00 41.25 39.60 3h7a s ASN 38 CO 0.71 -0.59 2.16 1.23 -3.04 0.00 0.00 177.10 177.57 3h7a h GLY 39 N 8.05 0.00 2.00 1.21 0.00 -1.76 -1.58 103.07 110.99 3h7a h GLY 39 Ca -0.13 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.15 3h7a h GLY 39 CO 0.79 0.00 -0.22 0.83 0.00 0.00 0.00 176.54 177.94 3h7a h GLU 40 N 0.00 0.00 0.00 4.80 5.08 -1.93 -2.06 114.58 120.48 3h7a h GLU 40 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3h7a h GLU 40 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3h7a h GLU 40 CO 0.01 0.22 0.00 1.63 -1.00 0.00 0.00 179.01 179.87 3h7a n LYS 41 N -4.06 0.02 0.00 2.33 5.02 -0.59 -2.20 118.16 118.68 3h7a n LYS 41 Ca -0.02 0.30 0.14 0.00 -2.02 0.00 0.00 58.31 56.71 3h7a n LYS 41 Cb 0.29 -1.55 0.71 0.00 -0.02 0.00 0.00 35.03 34.46 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 -1.59 0.00 -0.23 -0.35 4.77 -0.77 -4.29 117.00 114.53 3h7a n LEU 42 Ca 0.03 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 3h7a n LEU 42 Cb 0.16 -0.36 0.12 0.00 -2.33 0.00 0.00 43.42 41.01 3h7a n LEU 42 CO 0.13 -0.00 1.05 0.00 -1.33 0.00 0.00 177.39 177.24 3h7a h ALA 43 N 3.27 0.91 -0.78 -1.18 0.00 -1.60 -0.50 119.26 119.38 3h7a h ALA 43 Ca 0.00 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3h7a h ALA 43 Cb 0.35 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 3h7a h ALA 43 CO 0.00 -0.06 0.48 -1.35 0.00 0.00 0.00 179.25 178.32 3h7a h PRO 44 N 0.57 0.87 -0.44 0.00 0.11 -1.85 -1.73 132.00 129.54 3h7a h PRO 44 Ca 0.33 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.38 3h7a h PRO 44 Cb 0.33 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.22 3h7a h PRO 44 CO -0.26 0.58 0.25 1.25 -0.21 0.00 0.00 178.00 179.61 3h7a h LEU 45 N 0.90 0.54 -0.29 2.35 5.85 -1.54 -1.06 115.31 122.06 3h7a h LEU 45 Ca 0.33 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.97 3h7a h LEU 45 Cb 0.11 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3h7a h LEU 45 CO -0.15 0.46 0.17 0.58 -0.34 0.00 0.00 178.44 179.16 3h7a h VAL 46 N 0.58 1.12 -0.39 1.05 2.07 -1.04 -0.37 116.25 119.27 3h7a h VAL 46 Ca 0.16 -0.31 0.04 0.00 0.82 0.00 0.00 66.70 67.41 3h7a h VAL 46 Cb 0.03 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 3h7a h VAL 46 CO -0.03 0.12 0.15 0.00 0.02 0.00 0.00 177.57 177.83 3h7a h ALA 47 N 1.04 0.46 -0.49 1.67 0.00 -1.10 0.25 119.26 121.10 3h7a h ALA 47 Ca 0.10 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3h7a h ALA 47 Cb 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3h7a h ALA 47 CO -0.02 -0.23 0.11 1.49 0.00 0.00 0.00 179.25 180.60 3h7a h GLU 48 N 0.32 0.79 -0.25 0.00 4.81 -1.02 -1.42 114.58 117.80 3h7a h GLU 48 Ca 0.18 -0.20 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 3h7a h GLU 48 Cb 0.14 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 3h7a h GLU 48 CO -0.17 0.77 -0.10 0.82 -0.73 0.00 0.00 179.01 179.61 3h7a h ILE 49 N 0.67 1.29 -0.25 2.32 2.04 -0.83 -3.02 117.51 119.74 3h7a h ILE 49 Ca 0.15 -1.15 -0.11 0.00 1.00 0.00 0.00 64.86 64.75 3h7a h ILE 49 Cb 0.34 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 3h7a h ILE 49 CO 0.00 0.36 -0.31 -0.33 0.00 0.00 0.00 178.15 177.87 3h7a h GLU 50 N 0.24 0.53 0.00 2.37 5.08 -0.93 -1.05 114.58 120.82 3h7a h GLU 50 Ca 0.06 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.12 3h7a h GLU 50 Cb 0.59 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 3h7a h GLU 50 CO 0.03 0.78 -0.32 0.00 -1.00 0.00 0.00 179.01 178.50 3h7a h ALA 51 N 1.21 1.40 -0.03 3.43 0.00 -1.31 -2.21 119.26 121.75 3h7a h ALA 51 Ca 0.06 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3h7a h ALA 51 Cb 0.77 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3h7a h ALA 51 CO 0.06 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.71 3h7a n ALA 52 N -2.45 2.61 0.00 0.00 0.00 -1.05 -4.91 120.51 114.71 3h7a n ALA 52 Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.10 3h7a n ALA 52 Cb 0.37 -1.29 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 1.05 0.65 3.96 0.00 0.00 -0.83 -5.09 105.19 104.94 3h7a n GLY 53 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.18 1.72 -0.12 -0.02 0.00 -0.42 -4.98 107.32 102.32 3h7a s GLY 54 Ca 0.00 -1.22 0.01 0.00 0.00 0.00 0.00 44.72 43.51 3h7a s GLY 54 CO 0.00 -0.98 -0.15 0.50 0.00 0.00 0.00 173.10 172.47 3h7a s ARG 55 N -4.68 3.27 -0.13 2.90 0.52 -1.26 -3.92 118.95 115.64 3h7a s ARG 55 Ca 0.54 -0.72 -0.11 0.00 -0.52 0.00 0.00 55.73 54.92 3h7a s ARG 55 Cb -0.10 -2.56 0.04 0.00 0.52 0.00 0.00 34.95 32.85 3h7a s ARG 55 CO 0.38 0.24 0.34 -1.50 0.02 0.00 0.00 175.30 174.78 3h7a s ILE 56 N 0.27 -0.01 -0.22 1.52 2.07 -1.26 -1.85 121.20 121.73 3h7a s ILE 56 Ca -0.11 0.03 -0.04 0.00 -1.41 0.00 0.00 60.65 59.13 3h7a s ILE 56 Cb -0.16 -0.49 -0.01 0.00 0.13 0.00 0.00 42.46 41.93 3h7a s ILE 56 CO 0.06 0.01 -0.05 -0.69 -1.91 0.00 0.00 174.94 172.36 3h7a s VAL 57 N 0.51 3.30 -0.16 4.00 1.01 0.64 -4.94 120.40 124.76 3h7a s VAL 57 Ca -0.03 -0.52 -0.13 0.00 0.00 0.00 0.00 61.98 61.31 3h7a s VAL 57 Cb -0.04 -2.49 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 3h7a s VAL 57 CO -0.03 0.43 0.26 0.00 0.00 0.00 0.00 175.10 175.77 3h7a s ALA 58 N 1.44 3.63 0.10 5.51 0.00 -1.26 -1.04 121.76 130.14 3h7a s ALA 58 Ca 0.05 -0.49 0.05 0.00 0.00 0.00 0.00 51.96 51.57 3h7a s ALA 58 Cb -0.14 -2.33 -0.03 0.00 0.00 0.00 0.00 23.12 20.61 3h7a s ALA 58 CO -0.04 0.16 -0.12 1.03 0.00 0.00 0.00 175.76 176.79 3h7a s ARG 59 N 0.27 0.90 0.05 0.00 0.52 -0.29 -4.96 118.95 115.44 3h7a s ARG 59 Ca 0.15 -1.13 -0.28 0.00 -0.52 0.00 0.00 55.73 53.95 3h7a s ARG 59 Cb -0.13 -0.72 -0.05 0.00 0.52 0.00 0.00 34.95 34.57 3h7a s ARG 59 CO 0.03 0.14 0.88 -1.12 0.02 0.00 0.00 175.30 175.25 3h7a s SER 60 N -2.28 7.34 -0.18 0.23 0.01 -1.26 -3.05 113.70 114.51 3h7a s SER 60 Ca 0.05 1.60 -0.07 0.00 1.31 0.00 0.00 55.95 58.84 3h7a s SER 60 Cb -0.05 -2.53 0.08 0.00 0.21 0.00 0.00 66.02 63.72 3h7a s SER 60 CO 0.02 -0.08 0.40 -0.22 0.41 0.00 0.00 173.24 173.76 3h7a s LEU 61 N 0.26 -0.45 -0.47 2.44 2.96 0.49 -4.89 118.68 119.02 3h7a s LEU 61 Ca 0.44 0.91 -0.14 0.00 -0.22 0.00 0.00 54.13 55.13 3h7a s LEU 61 Cb -0.21 1.26 0.09 0.00 0.50 0.00 0.00 46.19 47.83 3h7a s LEU 61 CO 0.26 -0.22 0.38 -0.62 -1.32 0.00 0.00 176.35 174.84 3h7a s ASP 62 N 2.27 6.03 0.51 3.68 2.15 -1.26 -2.83 116.67 127.21 3h7a s ASP 62 Ca -0.03 -1.48 0.34 0.00 0.43 0.00 0.00 52.55 51.80 3h7a s ASP 62 Cb -0.11 -2.14 1.56 0.00 -0.30 0.00 0.00 42.92 41.93 3h7a s ASP 62 CO -0.12 -0.67 2.01 0.00 -0.17 0.00 0.00 175.17 176.22 3h7a h ALA 63 N 8.69 1.00 0.00 3.66 0.00 -1.95 0.28 119.26 130.94 3h7a h ALA 63 Ca -0.27 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 3h7a h ALA 63 Cb 1.10 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3h7a h ALA 63 CO 0.88 0.00 -0.12 0.00 0.00 0.00 0.00 179.25 180.02 3h7a h ARG 64 N 0.00 0.00 -5.73 0.00 3.08 -1.88 -3.40 114.38 106.45 3h7a h ARG 64 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 3h7a h ARG 64 Cb 0.30 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.22 3h7a h ARG 64 CO 0.00 0.12 0.45 1.21 -1.07 0.00 0.00 179.97 180.67 3h7a s ASN 65 N -6.54 6.35 0.52 7.04 3.84 0.08 -4.87 114.94 121.36 3h7a s ASN 65 Ca -0.04 -0.36 0.24 0.00 0.21 0.00 0.00 52.86 52.91 3h7a s ASN 65 Cb 0.15 -2.40 1.39 0.00 -0.55 0.00 0.00 41.25 39.84 3h7a s ASN 65 CO 0.63 -1.10 2.09 1.05 -2.79 0.00 0.00 177.10 176.98 3h7a h GLU 66 N 9.18 0.00 -0.10 0.43 9.09 -1.84 -1.25 114.58 130.09 3h7a h GLU 66 Ca -0.26 0.00 -0.23 0.00 0.05 0.00 0.00 59.36 58.93 3h7a h GLU 66 Cb 1.08 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 28.19 3h7a h GLU 66 CO 1.04 0.11 -0.83 -0.44 0.05 0.00 0.00 179.01 178.93 3h7a h ASP 67 N 0.00 0.83 -0.47 3.06 3.32 -1.94 -1.94 116.42 119.28 3h7a h ASP 67 Ca -0.00 -0.57 -0.13 0.00 0.02 0.00 0.00 57.03 56.35 3h7a h ASP 67 Cb 0.24 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3h7a h ASP 67 CO 0.01 1.36 -0.21 -0.33 -1.72 0.00 0.00 179.24 178.36 3h7a h GLU 68 N 0.45 0.96 -0.17 3.56 5.08 -1.69 -1.45 114.58 121.32 3h7a h GLU 68 Ca -0.07 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 57.87 3h7a h GLU 68 Cb 1.46 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.67 3h7a h GLU 68 CO 0.16 1.08 0.08 0.28 -1.00 0.00 0.00 179.01 179.62 3h7a h VAL 69 N 0.81 1.12 -0.83 3.13 2.07 -1.25 0.28 116.25 121.59 3h7a h VAL 69 Ca 0.11 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 3h7a h VAL 69 Cb 0.79 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 3h7a h VAL 69 CO 0.07 0.12 0.51 0.74 0.02 0.00 0.00 177.57 179.02 3h7a h THR 70 N 0.15 1.23 -0.22 2.57 2.02 -1.34 -1.65 112.91 115.67 3h7a h THR 70 Ca 0.06 -0.48 -0.17 0.00 0.77 0.00 0.00 66.41 66.59 3h7a h THR 70 Cb 0.11 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.57 3h7a h THR 70 CO -0.01 0.23 -0.57 0.00 0.37 0.00 0.00 175.52 175.54 3h7a h ALA 71 N 1.28 0.59 -0.55 6.16 0.00 -1.09 -0.57 119.26 125.08 3h7a h ALA 71 Ca 0.30 -0.52 0.01 0.00 0.00 0.00 0.00 54.91 54.70 3h7a h ALA 71 Cb -0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3h7a h ALA 71 CO -0.06 0.69 0.35 0.35 0.00 0.00 0.00 179.25 180.58 3h7a h PHE 72 N 0.51 0.67 -0.03 0.00 3.57 -0.68 -1.04 116.94 119.94 3h7a h PHE 72 Ca 0.01 0.02 -0.19 0.00 3.53 0.00 0.00 57.97 61.33 3h7a h PHE 72 Cb 1.14 -0.22 0.01 0.00 2.79 0.00 0.00 35.95 39.68 3h7a h PHE 72 CO 0.06 0.41 -0.73 -0.07 -2.23 0.00 0.00 178.31 175.74 3h7a h LEU 73 N 0.71 0.70 -0.70 0.59 3.38 -1.19 -1.74 115.31 117.06 3h7a h LEU 73 Ca 0.21 -0.72 0.05 0.00 0.09 0.00 0.00 57.88 57.51 3h7a h LEU 73 Cb -0.05 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.44 3h7a h LEU 73 CO -0.06 1.32 0.41 0.78 0.09 0.00 0.00 178.44 180.98 3h7a h ASN 74 N 0.14 0.63 -0.61 -0.43 2.35 -1.13 -0.27 115.58 116.26 3h7a h ASN 74 Ca -0.08 0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.70 3h7a h ASN 74 Cb 1.41 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 39.63 3h7a h ASN 74 CO 0.15 0.42 0.40 0.00 -1.65 0.00 0.00 177.43 176.74 3h7a h ALA 75 N 1.34 0.78 -0.17 -0.83 0.00 -1.15 -0.60 119.26 118.63 3h7a h ALA 75 Ca 0.30 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3h7a h ALA 75 Cb 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3h7a h ALA 75 CO -0.16 0.18 0.05 0.00 0.00 0.00 0.00 179.25 179.33 3h7a h ALA 76 N 1.23 0.22 -0.12 0.00 0.00 -0.90 -2.19 119.26 117.51 3h7a h ALA 76 Ca 0.23 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3h7a h ALA 76 Cb -0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3h7a h ALA 76 CO -0.06 -0.16 -0.18 0.22 0.00 0.00 0.00 179.25 179.07 3h7a h ASP 77 N 0.10 0.19 -0.08 0.00 3.58 -0.94 -2.66 116.42 116.60 3h7a h ASP 77 Ca 0.05 -0.04 -0.14 0.00 0.42 0.00 0.00 57.03 57.33 3h7a h ASP 77 Cb 0.22 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 3h7a h ASP 77 CO -0.00 0.38 -0.40 0.00 -2.88 0.00 0.00 179.24 176.34 3h7a h ALA 78 N 1.64 0.82 0.40 -0.78 0.00 -0.90 -3.21 119.26 117.23 3h7a h ALA 78 Ca 0.03 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 3h7a h ALA 78 Cb 0.43 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3h7a h ALA 78 CO 0.03 0.65 -0.19 1.25 0.00 0.00 0.00 179.25 180.99 3h7a h HIS 79 N 0.50 -0.49 -2.01 0.00 -0.00 -1.06 -3.46 115.15 108.62 3h7a h HIS 79 Ca 0.04 -0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.37 3h7a h HIS 79 Cb 0.91 0.16 -0.19 0.00 -0.00 0.00 0.00 27.41 28.29 3h7a h HIS 79 CO 0.04 -0.29 0.26 0.00 -0.00 0.00 0.00 177.93 177.94 3h7a s ALA 80 N -6.00 -1.79 -0.28 5.26 0.00 -1.08 -5.01 121.76 112.87 3h7a s ALA 80 Ca -0.16 1.30 -0.43 0.00 0.00 0.00 0.00 51.96 52.67 3h7a s ALA 80 Cb 0.04 -0.04 -0.18 0.00 0.00 0.00 0.00 23.12 22.94 3h7a s ALA 80 CO 0.63 -0.40 1.52 -2.30 0.00 0.00 0.00 175.76 175.21 3h7a n PRO 81 N 0.75 0.47 -2.06 0.00 -0.02 -1.25 -3.83 135.00 129.08 3h7a n PRO 81 Ca -0.17 0.17 -0.43 0.00 -2.02 0.00 0.00 63.50 61.05 3h7a n PRO 81 Cb 0.58 -1.74 -0.03 0.00 -0.02 0.00 0.00 33.50 32.29 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 2.34 3.84 -0.09 2.45 2.96 -1.26 -1.02 118.68 127.89 3h7a s LEU 82 Ca 0.98 1.62 0.11 0.00 -0.22 0.00 0.00 54.13 56.62 3h7a s LEU 82 Cb -1.27 -3.53 -0.15 0.00 0.50 0.00 0.00 46.19 41.73 3h7a s LEU 82 CO 0.69 -1.35 0.10 -0.62 -1.32 0.00 0.00 176.35 173.85 3h7a n GLU 83 N 7.82 1.65 -3.76 1.98 1.02 -0.31 -4.63 120.64 124.42 3h7a n GLU 83 Ca 0.20 -0.03 -0.15 0.00 -0.02 0.00 0.00 57.16 57.15 3h7a n GLU 83 Cb 0.45 -1.29 -0.16 0.00 -0.02 0.00 0.00 31.44 30.42 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 -2.43 -0.06 -0.14 2.62 1.01 -1.21 -0.87 120.40 119.31 3h7a s VAL 84 Ca -0.05 0.23 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 3h7a s VAL 84 Cb 0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 36.38 36.31 3h7a s VAL 84 CO 0.48 0.09 -0.11 -0.89 0.00 0.00 0.00 175.10 174.68 3h7a s THR 85 N 1.17 3.21 -0.24 3.92 2.01 -0.16 -0.68 115.64 124.87 3h7a s THR 85 Ca -0.08 -0.60 -0.00 0.00 0.31 0.00 0.00 61.69 61.32 3h7a s THR 85 Cb -0.13 -2.37 0.03 0.00 0.01 0.00 0.00 72.50 70.05 3h7a s THR 85 CO -0.03 0.51 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.68 3h7a s ILE 86 N 0.48 2.59 -0.41 1.82 1.01 0.57 -0.81 121.20 126.44 3h7a s ILE 86 Ca -0.08 -1.17 -0.18 0.00 0.00 0.00 0.00 60.65 59.22 3h7a s ILE 86 Cb -0.15 -2.34 0.02 0.00 0.01 0.00 0.00 42.46 40.00 3h7a s ILE 86 CO 0.04 0.18 0.46 0.12 0.00 0.00 0.00 174.94 175.74 3h7a s PHE 87 N 1.26 3.16 -0.48 3.97 5.36 0.04 -0.91 117.98 130.38 3h7a s PHE 87 Ca -0.01 -0.28 0.08 0.00 -0.96 0.00 0.00 56.93 55.75 3h7a s PHE 87 Cb -0.17 -2.92 0.30 0.00 -0.34 0.00 0.00 43.02 39.88 3h7a s PHE 87 CO -0.06 -0.69 0.72 -1.71 -1.46 0.00 0.00 175.22 172.03 3h7a n ASN 88 N 5.66 2.08 -4.07 6.13 5.15 0.43 -1.15 115.26 129.49 3h7a n ASN 88 Ca -0.07 -3.16 -0.34 0.00 -0.60 0.00 0.00 54.58 50.41 3h7a n ASN 88 Cb 0.48 -0.62 -0.13 0.00 -0.53 0.00 0.00 39.78 38.97 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 -2.53 2.88 0.00 3.44 1.01 -1.26 -4.37 120.40 119.57 3h7a s VAL 89 Ca 0.41 -2.26 0.00 0.00 0.00 0.00 0.00 61.98 60.13 3h7a s VAL 89 Cb 0.24 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.60 3h7a s VAL 89 CO -0.09 -0.67 0.00 0.61 0.00 0.00 0.00 175.10 174.96 3h7a n GLY 90 N 4.35 -1.32 0.00 4.51 0.00 -1.26 -4.58 105.19 106.90 3h7a n GLY 90 Ca 0.01 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.46 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 -3.00 0.00 -1.63 4.61 0.00 -1.26 -4.72 120.51 114.51 3h7a n ALA 91 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3h7a n ALA 91 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 0.00 5.30 0.05 0.00 3.84 -1.26 -4.89 114.94 117.97 3h7a s ASN 92 Ca 0.00 1.70 0.02 0.00 0.21 0.00 0.00 52.86 54.79 3h7a s ASN 92 Cb 0.00 -2.51 -0.03 0.00 -0.55 0.00 0.00 41.25 38.16 3h7a s ASN 92 CO 0.00 -2.11 -0.08 0.68 -2.79 0.00 0.00 177.10 172.80 3h7a s VAL 93 N 8.90 0.55 -0.07 -5.21 -7.23 -1.26 -5.16 120.40 110.92 3h7a s VAL 93 Ca 0.99 -1.16 -0.00 0.00 -1.81 0.00 0.00 61.98 60.00 3h7a s VAL 93 Cb -0.29 -0.71 0.02 0.00 0.56 0.00 0.00 36.38 35.96 3h7a s VAL 93 CO 0.33 -0.43 -0.04 0.21 -0.31 0.00 0.00 175.10 174.87 3h7a s ASN 94 N -1.72 1.46 -0.04 4.85 3.84 -1.26 -4.56 114.94 117.50 3h7a s ASN 94 Ca -0.08 -0.15 -0.03 0.00 0.21 0.00 0.00 52.86 52.81 3h7a s ASN 94 Cb -0.09 -0.54 0.02 0.00 -0.55 0.00 0.00 41.25 40.10 3h7a s ASN 94 CO -0.00 -0.11 0.10 -0.36 -2.79 0.00 0.00 177.10 173.94 3h7a s PHE 95 N 1.45 -0.11 0.78 0.43 0.08 0.52 -5.01 117.98 116.11 3h7a s PHE 95 Ca -0.02 0.31 -0.16 0.00 0.12 0.00 0.00 56.93 57.18 3h7a s PHE 95 Cb -0.13 -0.02 -0.04 0.00 -0.57 0.00 0.00 43.02 42.26 3h7a s PHE 95 CO -0.03 -0.08 0.32 -2.30 -0.10 0.00 0.00 175.22 173.02 3h7a n PRO 96 N 3.43 0.13 -0.24 0.24 -0.02 -1.26 -4.29 135.00 132.99 3h7a n PRO 96 Ca -0.17 0.08 -0.02 0.00 -2.02 0.00 0.00 63.50 61.37 3h7a n PRO 96 Cb 0.57 -1.69 0.10 0.00 -0.02 0.00 0.00 33.50 32.45 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 -0.64 1.01 0.00 4.25 6.09 -1.96 -0.16 117.51 126.10 3h7a h ILE 97 Ca -0.45 -0.26 0.00 0.00 -1.37 0.00 0.00 64.86 62.79 3h7a h ILE 97 Cb 1.34 0.19 0.00 0.00 0.47 0.00 0.00 36.82 38.81 3h7a h ILE 97 CO 0.39 0.14 0.00 0.18 -3.07 0.00 0.00 178.15 175.79 3h7a n LEU 98 N -4.74 0.72 -1.07 2.19 4.77 -1.26 -1.83 117.00 115.77 3h7a n LEU 98 Ca 0.09 0.68 0.08 0.00 -0.03 0.00 0.00 56.01 56.82 3h7a n LEU 98 Cb 0.15 -0.58 0.26 0.00 -2.33 0.00 0.00 43.42 40.92 3h7a n LEU 98 CO 0.30 -0.58 0.72 -0.62 -1.33 0.00 0.00 177.39 175.88 3h7a n GLU 99 N -2.29 3.18 -3.36 3.23 1.02 -0.12 -4.85 120.64 117.45 3h7a n GLU 99 Ca 0.02 -2.56 -0.44 0.00 -0.02 0.00 0.00 57.16 54.16 3h7a n GLU 99 Cb 0.23 -1.64 -0.08 0.00 -0.02 0.00 0.00 31.44 29.94 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 5.17 0.67 2.62 2.01 -0.76 -4.78 115.64 118.86 3h7a s THR 100 Ca 0.39 -0.82 -0.11 0.00 0.31 0.00 0.00 61.69 61.45 3h7a s THR 100 Cb 0.25 -4.11 -0.01 0.00 0.01 0.00 0.00 72.50 68.65 3h7a s THR 100 CO 0.19 -0.55 1.06 0.42 -0.69 0.00 0.00 174.62 175.05 3h7a s THR 101 N 1.86 4.04 0.20 -0.82 -4.23 -1.26 -4.87 115.64 110.56 3h7a s THR 101 Ca 0.07 0.66 -0.11 0.00 -1.18 0.00 0.00 61.69 61.13 3h7a s THR 101 Cb -0.22 -3.61 0.14 0.00 1.34 0.00 0.00 72.50 70.15 3h7a s THR 101 CO 0.09 -0.87 1.72 0.44 -0.54 0.00 0.00 174.62 175.46 3h7a h ASP 102 N -0.55 0.07 0.29 3.99 3.32 -2.00 -2.25 116.42 119.29 3h7a h ASP 102 Ca -0.45 0.09 -0.00 0.00 0.02 0.00 0.00 57.03 56.69 3h7a h ASP 102 Cb 1.22 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.87 3h7a h ASP 102 CO 0.62 0.05 -0.23 -0.09 -1.72 0.00 0.00 179.24 177.87 3h7a h ARG 103 N 0.30 -0.51 -0.33 3.56 2.43 -1.99 -1.93 114.38 115.89 3h7a h ARG 103 Ca 0.29 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.53 3h7a h ARG 103 Cb 0.39 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.02 3h7a h ARG 103 CO -0.34 -0.34 0.10 0.28 -1.51 0.00 0.00 179.97 178.15 3h7a h VAL 104 N -0.53 0.88 -0.12 0.20 2.07 -1.91 -0.29 116.25 116.56 3h7a h VAL 104 Ca -0.02 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3h7a h VAL 104 Cb 0.47 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3h7a h VAL 104 CO -0.02 0.04 0.07 0.15 0.02 0.00 0.00 177.57 177.84 3h7a h PHE 105 N 0.23 0.15 -0.30 1.57 3.57 -1.38 -0.93 116.94 119.84 3h7a h PHE 105 Ca 0.15 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 3h7a h PHE 105 Cb 0.14 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 3h7a h PHE 105 CO -0.15 0.11 0.13 0.00 -2.23 0.00 0.00 178.31 176.17 3h7a h ARG 106 N 0.14 0.44 -0.56 1.11 3.08 -1.20 -2.34 114.38 115.05 3h7a h ARG 106 Ca 0.04 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 3h7a h ARG 106 Cb 0.00 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 3h7a h ARG 106 CO -0.01 0.43 0.26 -0.22 -1.07 0.00 0.00 179.97 179.36 3h7a h LYS 107 N 0.34 0.81 -0.58 0.04 3.64 -0.97 0.29 116.57 120.14 3h7a h LYS 107 Ca 0.10 -0.13 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 3h7a h LYS 107 Cb 0.14 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 3h7a h LYS 107 CO -0.01 0.67 0.12 0.28 -2.27 0.00 0.00 179.45 178.23 3h7a h VAL 108 N 0.75 1.25 -0.47 2.00 2.07 -1.17 -1.33 116.25 119.36 3h7a h VAL 108 Ca 0.19 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 3h7a h VAL 108 Cb 0.14 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 3h7a h VAL 108 CO -0.02 0.35 0.27 -0.25 0.02 0.00 0.00 177.57 177.94 3h7a h TRP 109 N 0.85 0.63 -0.85 1.57 7.01 -1.17 0.11 115.95 124.10 3h7a h TRP 109 Ca 0.18 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.19 3h7a h TRP 109 Cb 0.39 -0.20 -0.05 0.00 -2.10 0.00 0.00 29.16 27.19 3h7a h TRP 109 CO 0.03 0.45 0.55 0.93 -2.79 0.00 0.00 178.44 177.62 3h7a h GLU 110 N 0.62 1.07 0.00 2.65 5.08 -0.69 0.69 114.58 124.00 3h7a h GLU 110 Ca 0.17 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3h7a h GLU 110 Cb 0.02 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.03 3h7a h GLU 110 CO -0.03 0.71 -0.05 0.52 -1.00 0.00 0.00 179.01 179.15 3h7a h MET 111 N 1.10 0.03 0.00 2.33 2.86 -1.15 -1.81 114.93 118.29 3h7a h MET 111 Ca 0.33 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 3h7a h MET 111 Cb -0.05 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.62 3h7a h MET 111 CO -0.10 0.89 -1.02 0.00 1.06 0.00 0.00 176.91 177.75 3h7a n ALA 112 N -2.55 3.82 0.06 6.32 0.00 0.02 -4.27 120.51 123.90 3h7a n ALA 112 Ca -0.10 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.87 3h7a n ALA 112 Cb 0.45 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 0.11 -0.49 0.00 2.91 -1.04 -0.30 115.95 117.14 3h7a h TRP 114 Ca 0.00 0.01 0.01 0.00 1.13 0.00 0.00 58.89 60.04 3h7a h TRP 114 Cb 0.19 -0.01 -0.02 0.00 -0.51 0.00 0.00 29.16 28.81 3h7a h TRP 114 CO 0.00 0.04 0.32 0.00 -1.03 0.00 0.00 178.44 177.77 3h7a h ALA 115 N 1.18 1.67 -0.29 2.65 0.00 -1.51 -1.43 119.26 121.54 3h7a h ALA 115 Ca 0.12 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 3h7a h ALA 115 Cb 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3h7a h ALA 115 CO -0.15 0.31 -0.51 0.78 0.00 0.00 0.00 179.25 179.68 3h7a h GLY 116 N 0.65 0.93 0.99 0.00 0.00 -1.64 -1.35 103.07 102.65 3h7a h GLY 116 Ca 0.18 -1.07 0.01 0.00 0.00 0.00 0.00 47.33 46.45 3h7a h GLY 116 CO -0.04 0.96 0.39 -2.75 0.00 0.00 0.00 176.54 175.10 3h7a h PHE 117 N 0.62 0.73 -0.11 5.60 3.57 -0.30 0.14 116.94 127.20 3h7a h PHE 117 Ca 0.02 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 3h7a h PHE 117 Cb 1.11 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.61 3h7a h PHE 117 CO 0.08 0.46 -0.17 0.28 -2.23 0.00 0.00 178.31 176.72 3h7a h VAL 118 N 0.79 1.38 -0.92 1.41 2.07 -1.23 -0.48 116.25 119.26 3h7a h VAL 118 Ca 0.22 -1.42 0.09 0.00 0.82 0.00 0.00 66.70 66.40 3h7a h VAL 118 Cb -0.08 2.05 -0.07 0.00 -1.52 0.00 0.00 31.29 31.67 3h7a h VAL 118 CO -0.05 0.41 0.57 0.28 0.02 0.00 0.00 177.57 178.80 3h7a h SER 119 N -0.12 0.87 0.15 0.57 0.02 -1.22 -0.40 113.55 113.43 3h7a h SER 119 Ca 0.01 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 3h7a h SER 119 Cb 0.74 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.14 3h7a h SER 119 CO 0.04 0.51 -0.07 1.23 -1.14 0.00 0.00 176.83 177.40 3h7a h GLY 120 N 0.98 -0.22 0.81 -3.77 0.00 -0.77 -1.17 103.07 98.93 3h7a h GLY 120 Ca 0.43 0.08 0.03 0.00 0.00 0.00 0.00 47.33 47.87 3h7a h GLY 120 CO -0.22 -0.08 0.26 -0.09 0.00 0.00 0.00 176.54 176.41 3h7a h ARG 121 N -0.62 0.50 -0.20 4.80 2.43 -0.93 0.11 114.38 120.47 3h7a h ARG 121 Ca -0.02 -0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 58.95 3h7a h ARG 121 Cb 0.47 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 3h7a h ARG 121 CO 0.03 0.33 -0.55 0.93 -1.51 0.00 0.00 179.97 179.20 3h7a h GLU 122 N 0.51 0.59 -0.52 0.20 4.39 -1.14 -1.47 114.58 117.14 3h7a h GLU 122 Ca 0.20 -0.38 -0.01 0.00 0.34 0.00 0.00 59.36 59.51 3h7a h GLU 122 Cb 0.07 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 3h7a h GLU 122 CO -0.12 0.99 0.30 0.77 -1.16 0.00 0.00 179.01 179.79 3h7a h SER 123 N 0.46 0.64 -0.60 1.42 0.02 -0.96 -2.39 113.55 112.15 3h7a h SER 123 Ca 0.01 -0.08 0.03 0.00 -0.84 0.00 0.00 61.79 60.91 3h7a h SER 123 Cb 1.11 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.44 3h7a h SER 123 CO 0.11 0.54 0.36 0.00 -1.14 0.00 0.00 176.83 176.69 3h7a h ALA 124 N 1.13 0.77 -0.11 3.77 0.00 -0.83 0.72 119.26 124.71 3h7a h ALA 124 Ca 0.19 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.11 3h7a h ALA 124 Cb 0.03 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3h7a h ALA 124 CO -0.03 0.09 -0.08 -0.09 0.00 0.00 0.00 179.25 179.15 3h7a h ARG 125 N 0.71 -0.07 -0.35 0.00 2.43 -1.12 -0.99 114.38 114.98 3h7a h ARG 125 Ca 0.24 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.37 3h7a h ARG 125 Cb 0.03 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 3h7a h ARG 125 CO -0.11 -0.05 0.04 -0.07 -1.51 0.00 0.00 179.97 178.28 3h7a h LEU 126 N -0.08 0.57 -0.58 3.80 3.38 -1.16 -3.26 115.31 117.98 3h7a h LEU 126 Ca 0.07 -0.27 -0.14 0.00 0.09 0.00 0.00 57.88 57.63 3h7a h LEU 126 Cb 0.18 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3h7a h LEU 126 CO -0.16 0.70 -0.39 0.24 0.09 0.00 0.00 178.44 178.91 3h7a h MET 127 N 0.42 0.69 -0.19 1.13 2.86 -0.73 -3.09 114.93 116.03 3h7a h MET 127 Ca 0.10 -0.35 -0.02 0.00 -2.06 0.00 0.00 59.70 57.37 3h7a h MET 127 Cb 0.38 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 3h7a h MET 127 CO 0.01 0.96 0.03 -0.07 1.06 0.00 0.00 176.91 178.90 3h7a h LEU 128 N 0.57 0.23 -1.73 1.22 3.38 -1.23 0.26 115.31 118.01 3h7a h LEU 128 Ca 0.05 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3h7a h LEU 128 Cb 0.92 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 3h7a h LEU 128 CO 0.08 0.26 -0.09 0.00 0.09 0.00 0.00 178.44 178.78 3h7a h ALA 129 N 1.78 1.78 0.00 1.53 0.00 -1.58 -2.14 119.26 120.63 3h7a h ALA 129 Ca 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3h7a h ALA 129 Cb 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3h7a h ALA 129 CO -0.00 0.17 -0.67 0.72 0.00 0.00 0.00 179.25 179.47 3h7a n HIS 130 N -4.40 0.14 -1.00 0.00 8.25 -0.15 -4.98 115.22 113.09 3h7a n HIS 130 Ca -0.02 0.04 -0.00 0.00 -0.26 0.00 0.00 57.72 57.48 3h7a n HIS 130 Cb 0.19 -0.33 -0.00 0.00 1.12 0.00 0.00 29.99 30.97 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 1.45 0.48 3.54 -1.41 0.00 -0.10 -5.00 105.19 104.15 3h7a n GLY 131 Ca 0.04 -0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 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 1.10 0.00 1.61 -2.07 -1.13 -4.75 119.66 114.15 3h7a s GLN 132 Ca 0.00 -0.46 0.00 0.00 -1.82 0.00 0.00 55.36 53.08 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 -0.49 0.00 0.41 -1.32 0.00 0.00 175.29 173.89 3h7a n GLY 133 N -0.34 2.14 2.92 2.60 0.00 -1.19 -4.57 105.19 106.75 3h7a n GLY 133 Ca -0.11 -1.07 -0.20 0.00 0.00 0.00 0.00 46.02 44.64 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 0.89 -0.24 1.61 1.02 -0.05 -1.75 119.74 119.22 3h7a s LYS 134 Ca 0.00 -0.16 0.00 0.00 0.02 0.00 0.00 55.97 55.83 3h7a s LYS 134 Cb 0.00 -0.85 0.06 0.00 -0.52 0.00 0.00 37.83 36.52 3h7a s LYS 134 CO 0.00 -0.03 -0.02 0.42 -0.92 0.00 0.00 175.35 174.80 3h7a s ILE 135 N 0.71 1.33 -0.08 2.17 1.01 -0.53 -0.99 121.20 124.82 3h7a s ILE 135 Ca -0.10 -1.17 0.01 0.00 0.00 0.00 0.00 60.65 59.39 3h7a s ILE 135 Cb -0.13 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 3h7a s ILE 135 CO 0.01 -0.19 -0.09 -0.36 0.00 0.00 0.00 174.94 174.31 3h7a s PHE 136 N 1.47 2.87 -0.09 3.97 0.08 0.01 -1.13 117.98 125.17 3h7a s PHE 136 Ca -0.03 -0.14 0.04 0.00 0.12 0.00 0.00 56.93 56.93 3h7a s PHE 136 Cb -0.18 -1.73 -0.00 0.00 -0.57 0.00 0.00 43.02 40.53 3h7a s PHE 136 CO -0.08 0.19 -0.23 -0.06 -0.10 0.00 0.00 175.22 174.94 3h7a s PHE 137 N -0.53 2.42 -0.31 0.36 0.08 -0.21 -0.78 117.98 119.01 3h7a s PHE 137 Ca 0.08 -0.94 -0.25 0.00 0.12 0.00 0.00 56.93 55.94 3h7a s PHE 137 Cb -0.12 -1.62 0.01 0.00 -0.57 0.00 0.00 43.02 40.72 3h7a s PHE 137 CO 0.02 -0.37 0.87 0.99 -0.10 0.00 0.00 175.22 176.64 3h7a s THR 138 N 0.28 4.71 0.51 0.64 2.01 -0.30 -0.69 115.64 122.80 3h7a s THR 138 Ca -0.16 1.33 0.07 0.00 0.31 0.00 0.00 61.69 63.25 3h7a s THR 138 Cb -0.17 -4.23 0.07 0.00 0.01 0.00 0.00 72.50 68.18 3h7a s THR 138 CO 0.07 -0.33 0.59 0.61 -0.69 0.00 0.00 174.62 174.88 3h7a n GLY 139 N 4.11 2.26 3.33 4.40 0.00 0.16 -4.82 105.19 114.63 3h7a n GLY 139 Ca 0.06 -2.24 -0.16 0.00 0.00 0.00 0.00 46.02 43.68 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 1.36 0.46 4.61 0.00 -1.26 -2.27 121.76 122.01 3h7a s ALA 140 Ca 0.45 -1.81 0.16 0.00 0.00 0.00 0.00 51.96 50.75 3h7a s ALA 140 Cb -0.04 1.37 1.09 0.00 0.00 0.00 0.00 23.12 25.54 3h7a s ALA 140 CO 0.28 -0.69 2.03 1.79 0.00 0.00 0.00 175.76 179.17 3h7a h THR 141 N 2.23 1.06 0.00 0.00 1.35 -1.94 0.27 112.91 115.89 3h7a h THR 141 Ca -0.28 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 3h7a h THR 141 Cb 1.24 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 3h7a h THR 141 CO 0.40 0.14 0.00 0.00 -0.25 0.00 0.00 175.52 175.82 3h7a n ALA 142 N -2.49 1.44 0.27 6.62 0.00 -1.26 -0.78 120.51 124.31 3h7a n ALA 142 Ca -0.03 -0.02 0.17 0.00 0.00 0.00 0.00 53.44 53.56 3h7a n ALA 142 Cb 0.22 -1.17 0.67 0.00 0.00 0.00 0.00 19.45 19.16 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 -1.21 -3.37 113.55 108.99 3h7a h SER 143 Ca 0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 3h7a h SER 143 Cb 0.17 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 3h7a h SER 143 CO 0.00 0.02 -1.53 0.18 -1.14 0.00 0.00 176.83 174.35 3h7a n LEU 144 N -3.11 1.84 -3.85 5.07 4.77 0.04 -4.25 117.00 117.50 3h7a n LEU 144 Ca 0.01 -0.03 -0.12 0.00 -0.03 0.00 0.00 56.01 55.84 3h7a n LEU 144 Cb 0.32 -0.14 -0.12 0.00 -2.33 0.00 0.00 43.42 41.15 3h7a n LEU 144 CO 0.28 0.48 -0.21 0.00 -1.33 0.00 0.00 177.39 176.60 3h7a s ARG 145 N -2.19 0.28 -0.41 3.23 1.70 -0.83 -5.12 118.95 115.61 3h7a s ARG 145 Ca -0.09 -0.08 -0.13 0.00 -0.47 0.00 0.00 55.73 54.96 3h7a s ARG 145 Cb 0.03 0.12 0.04 0.00 -0.57 0.00 0.00 34.95 34.57 3h7a s ARG 145 CO 0.25 -0.05 0.28 0.20 -1.08 0.00 0.00 175.30 174.90 3h7a s GLY 146 N -0.54 1.98 0.88 3.88 0.00 -1.26 -4.25 107.32 108.01 3h7a s GLY 146 Ca -0.06 -1.88 -0.11 0.00 0.00 0.00 0.00 44.72 42.67 3h7a s GLY 146 CO 0.01 0.93 1.21 -0.32 0.00 0.00 0.00 173.10 174.93 3h7a s GLY 147 N 1.90 1.77 0.09 0.20 0.00 -1.26 -4.95 107.32 105.07 3h7a s GLY 147 Ca 0.03 -1.36 -0.31 0.00 0.00 0.00 0.00 44.72 43.09 3h7a s GLY 147 CO 0.07 -0.66 1.65 -0.45 0.00 0.00 0.00 173.10 173.70 3h7a s SER 148 N -4.83 6.59 0.00 1.64 0.15 -1.26 -1.97 113.70 114.02 3h7a s SER 148 Ca 0.71 2.52 0.00 0.00 0.70 0.00 0.00 55.95 59.88 3h7a s SER 148 Cb -0.04 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 3h7a s SER 148 CO 0.50 -0.88 0.00 0.61 1.20 0.00 0.00 173.24 174.67 3h7a n GLY 149 N 3.97 0.46 1.65 9.45 0.00 -1.26 -4.94 105.19 114.52 3h7a n GLY 149 Ca 0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.26 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 1.69 -0.28 1.61 3.72 -0.83 -0.36 117.46 121.01 3h7a n PHE 150 Ca 0.00 -0.69 0.03 0.00 -0.05 0.00 0.00 57.45 56.74 3h7a n PHE 150 Cb 0.00 -0.37 0.17 0.00 -0.94 0.00 0.00 39.48 38.34 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 3.81 1.14 -0.05 4.37 0.00 -1.83 0.15 119.26 126.85 3h7a h ALA 151 Ca 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3h7a h ALA 151 Cb 1.68 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.38 3h7a h ALA 151 CO 0.35 0.03 -0.13 0.00 0.00 0.00 0.00 179.25 179.50 3h7a h ALA 152 N 1.46 0.09 -0.08 0.00 0.00 -1.91 -2.50 119.26 116.32 3h7a h ALA 152 Ca 0.40 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3h7a h ALA 152 Cb 0.41 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3h7a h ALA 152 CO -0.27 -0.02 -0.03 0.35 0.00 0.00 0.00 179.25 179.28 3h7a h PHE 153 N -0.33 0.19 -0.43 0.00 3.57 -1.75 -2.88 116.94 115.31 3h7a h PHE 153 Ca -0.00 -0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.41 3h7a h PHE 153 Cb 0.72 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 3h7a h PHE 153 CO 0.12 0.50 0.06 0.00 -2.23 0.00 0.00 178.31 176.76 3h7a h ALA 154 N 0.66 1.30 -0.41 2.41 0.00 -0.84 -0.39 119.26 121.99 3h7a h ALA 154 Ca 0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3h7a h ALA 154 Cb 0.44 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3h7a h ALA 154 CO 0.01 0.48 0.25 1.03 0.00 0.00 0.00 179.25 181.02 3h7a h SER 155 N 0.64 0.49 -0.42 0.00 0.87 -1.40 0.12 113.55 113.85 3h7a h SER 155 Ca 0.14 -0.06 -0.15 0.00 -1.23 0.00 0.00 61.79 60.50 3h7a h SER 155 Cb 0.31 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 3h7a h SER 155 CO 0.00 0.40 -0.30 0.00 -0.53 0.00 0.00 176.83 176.40 3h7a h ALA 156 N 1.11 0.64 -0.41 6.23 0.00 -1.28 -1.13 119.26 124.42 3h7a h ALA 156 Ca 0.15 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 3h7a h ALA 156 Cb 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3h7a h ALA 156 CO -0.03 0.68 -0.15 0.87 0.00 0.00 0.00 179.25 180.62 3h7a h LYS 157 N 0.80 0.82 -0.42 0.00 1.79 -0.74 -0.15 116.57 118.68 3h7a h LYS 157 Ca 0.09 -0.34 0.02 0.00 -2.18 0.00 0.00 60.65 58.23 3h7a h LYS 157 Cb 0.89 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.48 3h7a h LYS 157 CO 0.08 0.97 0.25 0.74 -1.08 0.00 0.00 179.45 180.41 3h7a h PHE 158 N 0.64 0.48 -0.58 -1.35 -1.00 -0.81 -1.21 116.94 113.11 3h7a h PHE 158 Ca 0.10 0.01 0.04 0.00 2.81 0.00 0.00 57.97 60.94 3h7a h PHE 158 Cb 0.69 -0.15 -0.05 0.00 3.61 0.00 0.00 35.95 40.05 3h7a h PHE 158 CO 0.05 0.28 0.32 0.78 -1.61 0.00 0.00 178.31 178.13 3h7a h GLY 159 N 0.51 0.83 1.02 -1.45 0.00 -1.02 -0.96 103.07 102.00 3h7a h GLY 159 Ca 0.17 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 3h7a h GLY 159 CO -0.07 0.16 0.42 -2.00 0.00 0.00 0.00 176.54 175.04 3h7a h LEU 160 N 0.62 1.00 -0.41 3.11 5.85 -0.70 -2.52 115.31 122.26 3h7a h LEU 160 Ca 0.25 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.86 3h7a h LEU 160 Cb 0.12 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 3h7a h LEU 160 CO -0.15 0.83 0.26 -0.09 -0.34 0.00 0.00 178.44 178.95 3h7a h ARG 161 N 1.10 0.55 -0.98 1.25 2.43 -0.47 -0.95 114.38 117.31 3h7a h ARG 161 Ca 0.28 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.44 3h7a h ARG 161 Cb 0.06 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 29.43 3h7a h ARG 161 CO -0.04 0.39 0.64 0.00 -1.51 0.00 0.00 179.97 179.45 3h7a h ALA 162 N 1.13 1.37 -0.13 2.80 0.00 -1.07 0.22 119.26 123.58 3h7a h ALA 162 Ca 0.15 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3h7a h ALA 162 Cb -0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 3h7a h ALA 162 CO -0.03 0.53 0.06 0.28 0.00 0.00 0.00 179.25 180.09 3h7a h VAL 163 N 1.23 1.14 -0.32 0.00 2.07 -0.99 -0.44 116.25 118.95 3h7a h VAL 163 Ca 0.39 -0.41 0.05 0.00 0.82 0.00 0.00 66.70 67.55 3h7a h VAL 163 Cb 0.01 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 3h7a h VAL 163 CO -0.12 0.12 0.04 0.00 0.02 0.00 0.00 177.57 177.64 3h7a h ALA 164 N 0.91 0.32 -0.12 1.67 0.00 -0.84 0.32 119.26 121.51 3h7a h ALA 164 Ca 0.04 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3h7a h ALA 164 Cb 0.15 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3h7a h ALA 164 CO -0.00 -0.36 0.01 1.96 0.00 0.00 0.00 179.25 180.86 3h7a h GLN 165 N 0.15 0.06 -0.51 0.00 4.20 -0.72 0.68 115.11 118.96 3h7a h GLN 165 Ca 0.15 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.81 3h7a h GLN 165 Cb 0.18 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 3h7a h GLN 165 CO -0.21 0.04 0.11 0.77 -0.67 0.00 0.00 178.83 178.87 3h7a h SER 166 N 0.06 0.74 -0.34 1.46 0.02 -0.88 -0.85 113.55 113.76 3h7a h SER 166 Ca 0.06 -0.13 -0.16 0.00 -0.84 0.00 0.00 61.79 60.71 3h7a h SER 166 Cb 0.06 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.40 3h7a h SER 166 CO -0.08 0.74 -0.40 0.24 -1.14 0.00 0.00 176.83 176.18 3h7a h MET 167 N 0.76 0.87 -0.39 3.45 2.86 -0.61 -2.87 114.93 119.00 3h7a h MET 167 Ca 0.17 -0.49 -0.01 0.00 -2.06 0.00 0.00 59.70 57.31 3h7a h MET 167 Cb 0.30 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 3h7a h MET 167 CO 0.00 1.13 0.19 0.00 1.06 0.00 0.00 176.91 179.29 3h7a h ALA 168 N 0.73 0.51 -0.87 6.32 0.00 -0.41 0.11 119.26 125.66 3h7a h ALA 168 Ca 0.05 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3h7a h ALA 168 Cb 1.00 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 3h7a h ALA 168 CO 0.10 0.07 0.57 0.00 0.00 0.00 0.00 179.25 179.99 3h7a h ARG 169 N 0.50 1.12 0.11 0.00 2.47 -1.17 -1.51 114.38 115.89 3h7a h ARG 169 Ca 0.14 -0.07 -0.30 0.00 -1.26 0.00 0.00 59.98 58.49 3h7a h ARG 169 Cb 0.11 -0.25 0.03 0.00 -1.65 0.00 0.00 29.97 28.21 3h7a h ARG 169 CO -0.02 0.74 -1.23 1.49 0.56 0.00 0.00 179.97 181.52 3h7a h GLU 170 N 1.15 0.63 0.00 0.04 4.81 -1.25 -3.41 114.58 116.55 3h7a h GLU 170 Ca 0.32 -0.82 -0.02 0.00 -0.13 0.00 0.00 59.36 58.71 3h7a h GLU 170 Cb -0.10 0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 3h7a h GLU 170 CO -0.08 1.37 -1.69 1.28 -0.73 0.00 0.00 179.01 179.16 3h7a n LEU 171 N -3.79 0.00 -0.24 1.64 4.77 0.37 -4.38 117.00 115.37 3h7a n LEU 171 Ca -0.13 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.83 3h7a n LEU 171 Cb 0.98 0.03 0.10 0.00 -2.33 0.00 0.00 43.42 42.19 3h7a n LEU 171 CO 0.58 0.03 1.11 0.24 -1.33 0.00 0.00 177.39 178.01 3h7a h MET 172 N 0.00 0.71 0.00 3.23 2.86 -1.21 0.70 114.93 121.22 3h7a h MET 172 Ca -0.03 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 3h7a h MET 172 Cb 0.77 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.27 3h7a h MET 172 CO 0.00 0.47 0.00 -2.30 1.06 0.00 0.00 176.91 176.14 3h7a n PRO 173 N -4.75 0.08 -0.66 -0.22 -0.02 -1.26 -2.29 135.00 125.87 3h7a n PRO 173 Ca 0.08 0.24 0.03 0.00 -2.02 0.00 0.00 63.50 61.83 3h7a n PRO 173 Cb 0.15 -1.50 0.26 0.00 -0.02 0.00 0.00 33.50 32.40 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 -1.40 2.96 -1.28 -0.52 5.02 0.15 -4.95 118.16 118.13 3h7a n LYS 174 Ca 0.04 -2.98 -0.05 0.00 -2.02 0.00 0.00 58.31 53.30 3h7a n LYS 174 Cb 0.12 -1.94 -0.02 0.00 -0.02 0.00 0.00 35.03 33.17 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 -0.52 -3.40 -4.36 4.39 5.15 -0.97 -4.71 115.26 110.83 3h7a n ASN 175 Ca 0.28 0.11 -0.37 0.00 -0.60 0.00 0.00 54.58 54.00 3h7a n ASN 175 Cb 1.05 -1.55 -0.13 0.00 -0.53 0.00 0.00 39.78 38.62 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 -2.20 3.95 -0.88 -1.44 1.01 -0.64 -3.18 121.20 117.83 3h7a s ILE 176 Ca 0.00 -0.52 -0.25 0.00 0.00 0.00 0.00 60.65 59.89 3h7a s ILE 176 Cb 0.00 -2.94 0.04 0.00 0.01 0.00 0.00 42.46 39.57 3h7a s ILE 176 CO 0.00 0.21 1.34 -2.28 0.00 0.00 0.00 174.94 174.21 3h7a s HIS 177 N 1.53 2.44 -0.00 3.97 5.65 -0.72 -3.10 115.29 125.06 3h7a s HIS 177 Ca 0.04 -0.49 -0.24 0.00 0.25 0.00 0.00 55.06 54.62 3h7a s HIS 177 Cb -0.16 -4.64 -0.05 0.00 -1.18 0.00 0.00 32.58 26.56 3h7a s HIS 177 CO 0.02 -1.98 0.75 0.08 -0.65 0.00 0.00 174.74 172.96 3h7a s VAL 178 N 5.21 4.87 0.10 0.89 1.01 -1.26 -1.46 120.40 129.75 3h7a s VAL 178 Ca 0.40 1.57 -0.01 0.00 0.00 0.00 0.00 61.98 63.93 3h7a s VAL 178 Cb -0.04 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 3h7a s VAL 178 CO 0.02 0.31 0.02 0.00 0.00 0.00 0.00 175.10 175.46 3h7a s ALA 179 N 0.32 0.70 -0.19 5.51 0.00 -0.28 -4.63 121.76 123.19 3h7a s ALA 179 Ca 0.39 -1.35 -0.03 0.00 0.00 0.00 0.00 51.96 50.96 3h7a s ALA 179 Cb -0.19 0.62 0.06 0.00 0.00 0.00 0.00 23.12 23.60 3h7a s ALA 179 CO 0.21 -0.44 0.04 -1.58 0.00 0.00 0.00 175.76 173.99 3h7a s HIS 180 N -3.99 0.88 -0.29 0.00 2.46 0.58 -1.04 115.29 113.89 3h7a s HIS 180 Ca 0.17 -0.74 -0.10 0.00 0.47 0.00 0.00 55.06 54.86 3h7a s HIS 180 Cb 0.08 -0.96 -0.02 0.00 -0.13 0.00 0.00 32.58 31.54 3h7a s HIS 180 CO -0.03 -0.58 0.15 -1.17 -2.47 0.00 0.00 174.74 170.63 3h7a s LEU 181 N 1.91 3.97 -0.24 8.88 2.96 0.14 -2.16 118.68 134.13 3h7a s LEU 181 Ca -0.00 -0.33 -0.12 0.00 -0.22 0.00 0.00 54.13 53.46 3h7a s LEU 181 Cb -0.17 -2.02 -0.05 0.00 0.50 0.00 0.00 46.19 44.46 3h7a s LEU 181 CO -0.08 -0.13 0.24 -0.63 -1.32 0.00 0.00 176.35 174.43 3h7a s ILE 182 N 1.66 5.30 0.20 6.68 1.01 0.08 0.36 121.20 136.48 3h7a s ILE 182 Ca 0.06 0.33 0.11 0.00 0.00 0.00 0.00 60.65 61.14 3h7a s ILE 182 Cb -0.16 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 3h7a s ILE 182 CO 0.07 0.29 -0.21 0.27 0.00 0.00 0.00 174.94 175.37 3h7a s ILE 183 N 1.33 2.54 -0.30 2.92 -4.36 -0.96 -1.30 121.20 121.07 3h7a s ILE 183 Ca 0.11 -2.01 0.19 0.00 -0.26 0.00 0.00 60.65 58.67 3h7a s ILE 183 Cb -0.14 -2.24 0.47 0.00 1.25 0.00 0.00 42.46 41.79 3h7a s ILE 183 CO 0.07 -0.15 1.23 -0.90 0.24 0.00 0.00 174.94 175.42 3h7a n ASP 184 N 0.10 0.45 0.00 4.36 3.85 -1.23 -3.44 116.55 120.64 3h7a n ASP 184 Ca -0.11 -2.20 0.00 0.00 -0.71 0.00 0.00 54.79 51.77 3h7a n ASP 184 Cb 0.56 -0.05 0.00 0.00 -1.35 0.00 0.00 41.12 40.28 3h7a n ASP 184 CO 0.00 0.00 0.00 0.80 -1.01 0.00 0.00 177.20 176.99 3h7a n MET 212 N -0.80 0.00 -1.69 0.11 1.56 -1.26 -4.55 117.12 110.49 3h7a n MET 212 Ca -0.00 0.00 -0.39 0.00 -0.27 0.00 0.00 57.70 57.03 3h7a n MET 212 Cb 0.83 0.00 0.04 0.00 2.15 0.00 0.00 33.22 36.23 3h7a n MET 212 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 3h7a n PRO 213 N -0.77 1.51 0.12 2.12 -0.04 -1.26 -4.69 135.00 131.99 3h7a n PRO 213 Ca 0.00 0.55 0.15 0.00 -0.04 0.00 0.00 63.50 64.17 3h7a n PRO 213 Cb 0.00 -2.38 0.68 0.00 -0.04 0.00 0.00 33.50 31.76 3h7a n PRO 213 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 3h7a h PRO 214 N 1.34 0.00 0.00 0.54 0.11 -1.96 -1.40 132.00 130.63 3h7a h PRO 214 Ca -0.49 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 3h7a h PRO 214 Cb 1.32 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.43 3h7a h PRO 214 CO 0.56 0.00 -0.09 0.00 -0.21 0.00 0.00 178.00 178.26 3h7a h ALA 215 N 1.84 1.39 -0.29 -0.75 0.00 -1.92 -2.91 119.26 116.62 3h7a h ALA 215 Ca 0.14 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 3h7a h ALA 215 Cb 0.59 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3h7a h ALA 215 CO -0.00 0.12 -0.24 0.00 0.00 0.00 0.00 179.25 179.12 3h7a h ALA 216 N 1.91 0.42 -0.81 0.00 0.00 -1.64 -2.30 119.26 116.83 3h7a h ALA 216 Ca -0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 3h7a h ALA 216 Cb 0.24 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3h7a h ALA 216 CO 0.01 0.40 0.48 0.28 0.00 0.00 0.00 179.25 180.42 3h7a h VAL 217 N 0.41 1.23 -0.83 0.00 2.07 -1.61 -0.78 116.25 116.76 3h7a h VAL 217 Ca 0.05 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 67.02 3h7a h VAL 217 Cb 0.80 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 3h7a h VAL 217 CO 0.06 0.24 0.39 0.00 0.02 0.00 0.00 177.57 178.29 3h7a h ALA 218 N 1.26 1.13 -0.40 1.67 0.00 -1.50 -0.40 119.26 121.02 3h7a h ALA 218 Ca 0.29 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3h7a h ALA 218 Cb -0.03 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 3h7a h ALA 218 CO -0.05 0.65 0.26 0.78 0.00 0.00 0.00 179.25 180.89 3h7a h GLY 219 N 1.19 0.57 1.02 0.00 0.00 -0.85 -0.09 103.07 104.91 3h7a h GLY 219 Ca 0.28 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 3h7a h GLY 219 CO -0.03 0.21 0.40 0.00 0.00 0.00 0.00 176.54 177.12 3h7a h ALA 220 N 1.13 0.98 -0.56 3.60 0.00 -0.67 0.19 119.26 123.94 3h7a h ALA 220 Ca 0.15 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3h7a h ALA 220 Cb -0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3h7a h ALA 220 CO -0.03 0.51 0.05 1.88 0.00 0.00 0.00 179.25 181.66 3h7a h TYR 221 N 1.06 0.97 -0.64 0.00 0.05 -0.87 -0.83 116.97 116.71 3h7a h TYR 221 Ca 0.27 -0.13 -0.05 0.00 0.05 0.00 0.00 58.73 58.86 3h7a h TYR 221 Cb 0.06 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 37.51 3h7a h TYR 221 CO 0.00 0.85 0.19 2.35 -1.05 0.00 0.00 178.16 180.50 3h7a h TRP 222 N 0.86 1.04 -0.43 4.88 2.91 -0.49 0.45 115.95 125.16 3h7a h TRP 222 Ca 0.17 -0.11 0.06 0.00 1.13 0.00 0.00 58.89 60.14 3h7a h TRP 222 Cb 0.44 -0.30 -0.05 0.00 -0.51 0.00 0.00 29.16 28.74 3h7a h TRP 222 CO 0.03 0.85 0.13 0.37 -1.03 0.00 0.00 178.44 178.79 3h7a h GLN 223 N 0.93 0.28 -0.77 2.65 4.15 -0.28 -0.03 115.11 122.04 3h7a h GLN 223 Ca 0.20 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.57 3h7a h GLN 223 Cb 0.31 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.90 3h7a h GLN 223 CO -0.00 0.18 0.35 -0.07 -1.93 0.00 0.00 178.83 177.35 3h7a h LEU 224 N 0.28 1.03 -0.62 -2.39 3.38 -0.86 -2.42 115.31 113.71 3h7a h LEU 224 Ca 0.20 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.09 3h7a h LEU 224 Cb 0.22 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 3h7a h LEU 224 CO -0.23 0.90 0.32 0.22 0.09 0.00 0.00 178.44 179.74 3h7a h TYR 225 N 1.10 0.59 0.00 1.13 3.20 -0.30 -2.91 116.97 119.77 3h7a h TYR 225 Ca 0.26 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.16 3h7a h TYR 225 Cb 0.16 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.26 3h7a h TYR 225 CO 0.01 0.27 0.00 1.96 -1.64 0.00 0.00 178.16 178.76 3h7a h GLN 226 N 0.60 0.00 -6.63 1.82 1.08 -0.52 -3.46 115.11 108.00 3h7a h GLN 226 Ca 0.28 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.96 3h7a h GLN 226 Cb 0.20 0.00 0.05 0.00 -0.05 0.00 0.00 27.48 27.68 3h7a h GLN 226 CO -0.19 0.00 0.94 -0.65 -0.95 0.00 0.00 178.83 177.97 3h7a s GLN 227 N -3.50 4.18 0.65 1.46 -0.21 -1.10 -5.01 119.66 116.13 3h7a s GLN 227 Ca 0.03 2.47 -0.12 0.00 0.02 0.00 0.00 55.36 57.76 3h7a s GLN 227 Cb 0.09 -3.12 -0.01 0.00 1.00 0.00 0.00 33.01 30.97 3h7a s GLN 227 CO 0.48 -0.67 1.05 -1.25 -2.12 0.00 0.00 175.29 172.78 3h7a s PRO 228 N 1.10 3.20 0.00 2.91 0.04 -1.26 -4.89 135.00 136.10 3h7a s PRO 228 Ca 0.72 0.95 0.16 0.00 0.04 0.00 0.00 61.00 62.86 3h7a s PRO 228 Cb -0.46 -2.03 0.78 0.00 0.04 0.00 0.00 34.50 32.83 3h7a s PRO 228 CO 0.32 -0.89 1.46 0.36 0.04 0.00 0.00 177.00 178.29 3h7a n LYS 229 N -2.78 0.19 0.01 4.56 2.85 -1.26 -1.06 118.16 120.67 3h7a n LYS 229 Ca 0.07 0.15 0.14 0.00 -1.05 0.00 0.00 58.31 57.62 3h7a n LYS 229 Cb 0.54 -1.50 0.56 0.00 -0.65 0.00 0.00 35.03 33.98 3h7a n LYS 229 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 3h7a n SER 230 N -1.32 0.11 -2.90 -5.58 3.41 -1.26 -4.40 113.62 101.68 3h7a n SER 230 Ca 0.07 0.43 -0.12 0.00 -0.26 0.00 0.00 58.87 58.98 3h7a n SER 230 Cb 0.14 -0.44 0.04 0.00 -0.26 0.00 0.00 64.21 63.69 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 -1.52 0.17 -2.31 7.33 0.00 -0.22 -5.13 120.51 118.83 3h7a n ALA 231 Ca 0.07 -2.15 -0.36 0.00 0.00 0.00 0.00 53.44 50.99 3h7a n ALA 231 Cb 0.35 -1.09 -0.06 0.00 0.00 0.00 0.00 19.45 18.65 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 -0.60 3.68 -0.18 0.00 0.51 -1.21 -4.56 118.94 116.59 3h7a s TRP 232 Ca 0.29 1.15 -0.09 0.00 -2.12 0.00 0.00 56.10 55.33 3h7a s TRP 232 Cb 0.30 -2.43 -0.05 0.00 -0.81 0.00 0.00 33.47 30.48 3h7a s TRP 232 CO -0.08 0.48 0.14 0.99 -0.51 0.00 0.00 176.95 177.97 3h7a s THR 233 N -1.35 5.43 -0.13 2.01 2.01 -1.26 -5.02 115.64 117.33 3h7a s THR 233 Ca 0.35 0.22 -0.18 0.00 0.31 0.00 0.00 61.69 62.38 3h7a s THR 233 Cb -0.17 -3.46 -0.16 0.00 0.01 0.00 0.00 72.50 68.72 3h7a s THR 233 CO 0.19 0.49 0.48 0.15 -0.69 0.00 0.00 174.62 175.24 3h7a h PHE 234 N 6.20 0.00 -4.38 4.92 3.57 -1.95 -3.44 116.94 121.85 3h7a h PHE 234 Ca -0.45 0.00 -0.60 0.00 3.53 0.00 0.00 57.97 60.45 3h7a h PHE 234 Cb 1.17 0.00 -0.30 0.00 2.79 0.00 0.00 35.95 39.61 3h7a h PHE 234 CO 0.63 0.63 -0.86 -2.00 -2.23 0.00 0.00 178.31 174.49 3h7a s GLU 235 N -1.98 1.72 -0.06 1.11 2.12 -1.26 -0.30 118.70 120.04 3h7a s GLU 235 Ca -0.12 -0.74 -0.05 0.00 0.36 0.00 0.00 54.97 54.42 3h7a s GLU 235 Cb -0.02 -1.64 0.02 0.00 0.26 0.00 0.00 34.13 32.75 3h7a s GLU 235 CO 0.43 0.43 0.17 1.41 -0.54 0.00 0.00 175.26 177.16 3h7a s MET 236 N -0.44 0.18 -0.09 4.30 1.75 -0.92 -4.98 119.30 119.11 3h7a s MET 236 Ca 0.07 0.26 0.04 0.00 -1.25 0.00 0.00 55.69 54.80 3h7a s MET 236 Cb -0.08 0.06 -0.01 0.00 2.84 0.00 0.00 34.83 37.63 3h7a s MET 236 CO -0.00 -0.04 -0.20 -2.00 -0.65 0.00 0.00 175.02 172.12 3h7a s GLU 237 N 0.24 2.88 0.12 4.11 2.12 -1.26 -0.74 118.70 126.17 3h7a s GLU 237 Ca -0.01 -0.81 0.09 0.00 0.36 0.00 0.00 54.97 54.60 3h7a s GLU 237 Cb -0.03 -2.35 -0.04 0.00 0.26 0.00 0.00 34.13 31.98 3h7a s GLU 237 CO -0.01 0.33 -0.22 0.96 -0.54 0.00 0.00 175.26 175.78 3h7a s ILE 238 N 0.00 1.91 0.02 -3.70 -4.36 -0.42 -4.97 121.20 109.68 3h7a s ILE 238 Ca -0.07 -1.67 -0.25 0.00 -0.26 0.00 0.00 60.65 58.40 3h7a s ILE 238 Cb -0.15 -1.74 0.06 0.00 1.25 0.00 0.00 42.46 41.88 3h7a s ILE 238 CO 0.05 -0.05 0.58 0.00 0.24 0.00 0.00 174.94 175.76 3h7a s ARG 239 N -2.09 1.06 0.49 0.37 1.70 -1.26 -3.51 118.95 115.72 3h7a s ARG 239 Ca 0.10 -0.08 -0.11 0.00 -0.47 0.00 0.00 55.73 55.17 3h7a s ARG 239 Cb -0.09 0.49 -0.06 0.00 -0.57 0.00 0.00 34.95 34.72 3h7a s ARG 239 CO 0.05 -0.37 0.88 -1.25 -1.08 0.00 0.00 175.30 173.53 3h7a s PRO 240 N -2.11 3.73 0.00 3.89 0.04 -1.26 -5.10 135.00 134.19 3h7a s PRO 240 Ca -0.07 0.59 0.00 0.00 0.04 0.00 0.00 61.00 61.56 3h7a s PRO 240 Cb -0.01 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 32.27 3h7a s PRO 240 CO 0.01 -0.24 0.19 0.66 0.04 0.00 0.00 177.00 177.66