#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sfs s ILE 5 N 0.00 4.57 -0.06 -0.61 -1.09 -0.24 -4.80 121.20 118.98 1sfs s ILE 5 Ca 0.00 1.50 -0.03 0.00 -2.23 0.00 0.00 60.65 59.89 1sfs s ILE 5 Cb 0.00 -4.04 -0.04 0.00 -1.58 0.00 0.00 42.46 36.80 1sfs s ILE 5 CO 0.00 0.51 0.11 0.86 -1.23 0.00 0.00 174.94 175.19 1sfs s TRP 6 N -0.92 3.42 0.12 3.97 -0.00 -1.26 -0.48 118.94 123.79 1sfs s TRP 6 Ca 0.34 0.34 -0.04 0.00 -0.00 0.00 0.00 56.10 56.74 1sfs s TRP 6 Cb -0.21 -1.83 0.02 0.00 -0.00 0.00 0.00 33.47 31.44 1sfs s TRP 6 CO 0.23 0.62 0.23 0.41 -0.00 0.00 0.00 176.95 178.44 1sfs n GLY 7 N 1.55 1.78 3.29 5.86 0.00 -0.36 -0.75 105.19 116.55 1sfs n GLY 7 Ca -0.16 -1.11 -0.18 0.00 0.00 0.00 0.00 46.02 44.57 1sfs n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sfs s VAL 8 N -2.71 0.10 0.07 1.61 -7.23 -0.83 -0.67 120.40 110.74 1sfs s VAL 8 Ca 0.05 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.12 1sfs s VAL 8 Cb -0.01 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.44 1sfs s VAL 8 CO 0.04 0.00 0.21 1.51 -0.31 0.00 0.00 175.10 176.55 1sfs s ASP 9 N -3.34 0.05 -0.08 4.85 1.47 -0.79 -0.60 116.67 118.24 1sfs s ASP 9 Ca 0.38 -0.49 -0.19 0.00 1.18 0.00 0.00 52.55 53.43 1sfs s ASP 9 Cb 0.04 0.33 0.04 0.00 -0.34 0.00 0.00 42.92 42.99 1sfs s ASP 9 CO 0.21 -0.66 0.44 -0.94 0.68 0.00 0.00 175.17 174.91 1sfs s SER 10 N -2.51 -0.39 0.29 2.11 1.04 -0.67 -1.20 113.70 112.37 1sfs s SER 10 Ca 0.00 0.51 0.02 0.00 0.48 0.00 0.00 55.95 56.96 1sfs s SER 10 Cb 0.02 0.58 0.44 0.00 0.10 0.00 0.00 66.02 67.16 1sfs s SER 10 CO -0.08 -0.39 1.77 0.00 0.98 0.00 0.00 173.24 175.52 1sfs h ALA 11 N 4.18 1.17 -2.19 5.32 0.00 -1.87 -3.42 119.26 122.45 1sfs h ALA 11 Ca -0.28 -0.29 -0.47 0.00 0.00 0.00 0.00 54.91 53.87 1sfs h ALA 11 Cb 1.17 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.83 1sfs h ALA 11 CO 0.34 0.53 -0.16 1.14 0.00 0.00 0.00 179.25 181.09 1sfs s GLN 12 N -4.73 3.39 0.37 0.00 -2.07 -1.26 -0.84 119.66 114.52 1sfs s GLN 12 Ca -0.08 -0.36 -0.27 0.00 -1.82 0.00 0.00 55.36 52.83 1sfs s GLN 12 Cb 0.14 -2.63 -0.11 0.00 -1.09 0.00 0.00 33.01 29.32 1sfs s GLN 12 CO 0.79 0.05 1.27 0.28 -1.32 0.00 0.00 175.29 176.36 1sfs n VAL 13 N -1.86 2.19 -2.58 3.63 0.31 -1.26 -4.92 118.33 113.83 1sfs n VAL 13 Ca -0.03 -0.50 -0.41 0.00 -0.01 0.00 0.00 64.34 63.39 1sfs n VAL 13 Cb 0.56 -1.56 -0.03 0.00 -0.91 0.00 0.00 33.84 31.91 1sfs n VAL 13 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1sfs s VAL 14 N -1.13 3.85 0.68 2.52 1.01 -1.26 -4.90 120.40 121.17 1sfs s VAL 14 Ca 0.57 -0.09 -0.08 0.00 0.00 0.00 0.00 61.98 62.39 1sfs s VAL 14 Cb -0.55 -4.95 0.04 0.00 0.00 0.00 0.00 36.38 30.92 1sfs s VAL 14 CO 0.61 -1.86 1.02 0.42 0.00 0.00 0.00 175.10 175.29 1sfs s THR 15 N 5.30 2.88 0.30 3.92 -4.23 -1.26 -4.85 115.64 117.69 1sfs s THR 15 Ca 0.38 -0.02 -0.01 0.00 -1.18 0.00 0.00 61.69 60.86 1sfs s THR 15 Cb -0.06 -3.22 0.27 0.00 1.34 0.00 0.00 72.50 70.83 1sfs s THR 15 CO 0.06 -0.25 1.95 -0.78 -0.54 0.00 0.00 174.62 175.05 1sfs h ASP 16 N -0.54 0.95 -0.51 3.99 3.58 -1.97 -0.79 116.42 121.13 1sfs h ASP 16 Ca -0.45 -0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.01 1sfs h ASP 16 Cb 1.29 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 42.08 1sfs h ASP 16 CO 0.62 0.66 0.30 1.56 -2.88 0.00 0.00 179.24 179.49 1sfs h GLN 17 N 1.10 0.57 -0.29 0.28 1.08 -1.98 0.84 115.11 116.70 1sfs h GLN 17 Ca 0.34 -0.03 -0.13 0.00 -1.45 0.00 0.00 58.65 57.37 1sfs h GLN 17 Cb -0.01 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 27.29 1sfs h GLN 17 CO -0.10 0.38 -0.34 1.25 -0.95 0.00 0.00 178.83 179.07 1sfs h LEU 18 N 0.59 0.81 -0.25 1.46 5.85 -1.78 -1.46 115.31 120.53 1sfs h LEU 18 Ca 0.21 -0.49 0.03 0.00 0.84 0.00 0.00 57.88 58.47 1sfs h LEU 18 Cb 0.05 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 1sfs h LEU 18 CO -0.11 1.13 0.07 0.15 -0.34 0.00 0.00 178.44 179.35 1sfs h PHE 19 N 0.50 0.13 -0.37 1.25 3.57 -0.88 -1.84 116.94 119.29 1sfs h PHE 19 Ca 0.04 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 1sfs h PHE 19 Cb 0.92 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 1sfs h PHE 19 CO 0.07 0.05 -0.01 1.96 -2.23 0.00 0.00 178.31 178.16 1sfs h GLN 20 N 0.18 0.59 0.01 1.11 1.08 -0.71 0.65 115.11 118.02 1sfs h GLN 20 Ca 0.11 -0.14 0.03 0.00 -1.45 0.00 0.00 58.65 57.20 1sfs h GLN 20 Cb 0.09 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.41 1sfs h GLN 20 CO -0.13 0.62 -0.18 0.00 -0.95 0.00 0.00 178.83 178.19 1sfs h VAL 22 N -0.30 1.03 -0.63 0.00 2.07 -0.90 0.44 116.25 117.95 1sfs h VAL 22 Ca 0.05 -0.08 0.06 0.00 0.82 0.00 0.00 66.70 67.55 1sfs h VAL 22 Cb 0.37 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 1sfs h VAL 22 CO -0.16 0.02 0.34 -0.09 0.02 0.00 0.00 177.57 177.69 1sfs h ARG 23 N -0.02 0.60 0.00 1.57 2.43 -0.73 0.19 114.38 118.43 1sfs h ARG 23 Ca 0.00 -0.04 -0.27 0.00 -0.81 0.00 0.00 59.98 58.86 1sfs h ARG 23 Cb 0.03 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.40 1sfs h ARG 23 CO -0.00 0.40 -1.74 0.25 -1.51 0.00 0.00 179.97 177.37 1sfs n THR 24 N -4.83 1.48 0.00 0.20 -2.24 -0.59 -3.54 114.28 104.76 1sfs n THR 24 Ca 0.08 -0.78 0.06 0.00 -2.27 0.00 0.00 64.05 61.14 1sfs n THR 24 Cb 0.18 -0.90 -0.12 0.00 -2.10 0.00 0.00 70.33 67.39 1sfs n THR 24 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1sfs n GLU 25 N -2.97 0.65 0.00 -0.78 -0.58 0.14 -4.80 120.64 112.30 1sfs n GLU 25 Ca -0.17 -0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.52 1sfs n GLU 25 Cb 1.02 -1.62 0.00 0.00 -0.57 0.00 0.00 31.44 30.27 1sfs n GLU 25 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1sfs n LEU 26 N -2.51 0.18 0.00 -4.62 4.77 0.46 -4.89 117.00 110.40 1sfs n LEU 26 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1sfs n LEU 26 Cb 0.70 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.79 1sfs n LEU 26 CO 0.44 -0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1sfs n GLY 27 N 2.47 -1.83 3.47 -0.72 0.00 -0.05 -0.57 105.19 107.95 1sfs n GLY 27 Ca 0.00 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.12 1sfs n GLY 27 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1sfs s TYR 28 N -1.90 3.12 0.27 1.61 5.04 -1.26 -3.27 117.35 120.95 1sfs s TYR 28 Ca 0.00 -0.40 -0.29 0.00 -2.44 0.00 0.00 57.07 53.94 1sfs s TYR 28 Cb 0.00 -3.20 -0.09 0.00 0.35 0.00 0.00 41.96 39.02 1sfs s TYR 28 CO 0.00 -0.84 1.10 -1.25 -1.34 0.00 0.00 175.55 173.22 1sfs s PRO 29 N 2.40 4.63 0.16 4.97 0.04 -1.26 -4.85 135.00 141.09 1sfs s PRO 29 Ca 0.15 1.80 0.23 0.00 0.04 0.00 0.00 61.00 63.22 1sfs s PRO 29 Cb -0.18 -3.20 0.11 0.00 0.04 0.00 0.00 34.50 31.27 1sfs s PRO 29 CO 0.14 0.19 1.13 0.87 0.04 0.00 0.00 177.00 179.36 1sfs h LYS 30 N 3.98 0.00 -3.44 4.56 1.79 -1.29 -3.43 116.57 118.73 1sfs h LYS 30 Ca -0.46 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 57.92 1sfs h LYS 30 Cb 1.21 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.71 1sfs h LYS 30 CO 0.68 0.00 -0.23 -0.59 -1.08 0.00 0.00 179.45 178.22 1sfs s PHE 31 N -3.29 -0.07 -0.15 -1.35 -0.12 -1.26 -1.57 117.98 110.17 1sfs s PHE 31 Ca 0.02 -0.18 -0.04 0.00 -0.05 0.00 0.00 56.93 56.68 1sfs s PHE 31 Cb 0.11 0.10 0.06 0.00 -0.63 0.00 0.00 43.02 42.66 1sfs s PHE 31 CO 0.77 -0.56 0.13 -0.46 -0.05 0.00 0.00 175.22 175.05 1sfs s TRP 32 N -3.16 -0.01 0.05 3.49 -0.11 -0.07 -1.96 118.94 117.17 1sfs s TRP 32 Ca -0.01 0.05 -0.31 0.00 1.22 0.00 0.00 56.10 57.06 1sfs s TRP 32 Cb 0.01 -0.51 -0.06 0.00 -1.50 0.00 0.00 33.47 31.42 1sfs s TRP 32 CO -0.07 -0.45 1.23 0.20 -4.62 0.00 0.00 176.95 173.24 1sfs s GLY 33 N 2.22 2.30 0.06 5.86 0.00 0.23 -1.41 107.32 116.58 1sfs s GLY 33 Ca 0.04 0.85 -0.07 0.00 0.00 0.00 0.00 44.72 45.54 1sfs s GLY 33 CO -0.08 2.12 0.14 0.50 0.00 0.00 0.00 173.10 175.78 1sfs s ARG 34 N 1.26 0.71 -0.04 2.90 1.81 -0.58 -1.67 118.95 123.35 1sfs s ARG 34 Ca 0.59 -0.83 -0.14 0.00 -1.72 0.00 0.00 55.73 53.63 1sfs s ARG 34 Cb -0.30 0.28 -0.05 0.00 -0.45 0.00 0.00 34.95 34.43 1sfs s ARG 34 CO 0.28 -0.20 0.36 0.71 -0.68 0.00 0.00 175.30 175.77 1sfs s TYR 35 N -3.15 3.68 0.26 -0.53 1.51 -1.26 -0.75 117.35 117.10 1sfs s TYR 35 Ca -0.00 0.88 0.19 0.00 -1.01 0.00 0.00 57.07 57.13 1sfs s TYR 35 Cb 0.02 -2.25 0.85 0.00 -0.11 0.00 0.00 41.96 40.47 1sfs s TYR 35 CO -0.07 0.61 1.82 -0.07 -1.11 0.00 0.00 175.55 176.73 1sfs h LEU 36 N 4.99 0.00 -7.99 -1.29 3.38 -1.10 0.70 115.31 114.00 1sfs h LEU 36 Ca -0.51 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.36 1sfs h LEU 36 Cb 1.22 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.83 1sfs h LEU 36 CO 0.63 0.32 -0.36 -0.94 0.09 0.00 0.00 178.44 178.17 1sfs s SER 37 N -6.47 0.09 -0.03 -0.43 1.04 -1.26 -4.34 113.70 102.30 1sfs s SER 37 Ca -0.01 -0.80 -0.30 0.00 0.48 0.00 0.00 55.95 55.32 1sfs s SER 37 Cb 0.12 0.38 -0.03 0.00 0.10 0.00 0.00 66.02 66.60 1sfs s SER 37 CO 0.67 -0.81 1.06 -0.70 0.98 0.00 0.00 173.24 174.44 1sfs s GLU 38 N -3.93 4.47 -0.21 4.02 2.56 -1.26 -3.78 118.70 120.57 1sfs s GLU 38 Ca 0.12 1.51 0.01 0.00 0.00 0.00 0.00 54.97 56.61 1sfs s GLU 38 Cb 0.04 -3.48 0.05 0.00 2.00 0.00 0.00 34.13 32.74 1sfs s GLU 38 CO -0.05 -0.22 -0.09 0.08 -0.56 0.00 0.00 175.26 174.43 1sfs s VAL 39 N 1.48 1.61 0.28 3.70 1.01 -0.48 -4.93 120.40 123.06 1sfs s VAL 39 Ca 0.53 -1.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 1sfs s VAL 39 Cb -0.22 -1.74 -0.13 0.00 0.00 0.00 0.00 36.38 34.28 1sfs s VAL 39 CO 0.25 0.08 1.28 -2.65 0.00 0.00 0.00 175.10 174.05 1sfs n PRO 40 N 4.68 1.87 -1.13 2.72 -0.02 -1.26 -1.17 135.00 140.69 1sfs n PRO 40 Ca -0.14 0.66 -0.04 0.00 -2.02 0.00 0.00 63.50 61.96 1sfs n PRO 40 Cb 0.46 -2.23 -0.02 0.00 -0.02 0.00 0.00 33.50 31.69 1sfs n PRO 40 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1sfs n ASN 41 N 1.53 -4.65 0.06 2.55 3.02 -1.26 -4.71 115.26 111.80 1sfs n ASN 41 Ca 0.09 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 1sfs n ASN 41 Cb 0.32 -2.54 0.00 0.00 -0.61 0.00 0.00 39.78 36.95 1sfs n ASN 41 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1sfs n VAL 42 N -2.50 0.00 -3.77 2.41 0.31 -0.38 -5.14 118.33 109.26 1sfs n VAL 42 Ca -0.04 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.16 1sfs n VAL 42 Cb 0.33 -0.43 -0.09 0.00 -0.91 0.00 0.00 33.84 32.74 1sfs n VAL 42 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1sfs s SER 43 N -4.59 -0.21 -0.16 4.52 1.04 -0.31 -4.82 113.70 109.17 1sfs s SER 43 Ca 0.00 0.19 -0.13 0.00 0.48 0.00 0.00 55.95 56.49 1sfs s SER 43 Cb 0.00 0.38 -0.05 0.00 0.10 0.00 0.00 66.02 66.46 1sfs s SER 43 CO 0.00 -0.36 0.28 -1.61 0.98 0.00 0.00 173.24 172.52 1sfs s GLU 44 N -0.99 4.23 0.61 4.02 2.02 -0.02 -1.39 118.70 127.19 1sfs s GLU 44 Ca -0.11 0.07 -0.15 0.00 0.02 0.00 0.00 54.97 54.80 1sfs s GLU 44 Cb -0.05 -3.42 -0.03 0.00 0.10 0.00 0.00 34.13 30.74 1sfs s GLU 44 CO 0.03 0.26 1.07 0.20 0.02 0.00 0.00 175.26 176.84 1sfs s GLY 45 N 0.41 2.09 0.72 -1.39 0.00 -1.25 -4.34 107.32 103.56 1sfs s GLY 45 Ca 0.16 0.39 -0.15 0.00 0.00 0.00 0.00 44.72 45.12 1sfs s GLY 45 CO 0.03 0.72 1.19 1.08 0.00 0.00 0.00 173.10 176.12 1sfs s LEU 46 N -4.65 3.33 0.20 0.66 1.43 0.24 -4.91 118.68 114.98 1sfs s LEU 46 Ca 0.64 2.30 0.04 0.00 -1.03 0.00 0.00 54.13 56.08 1sfs s LEU 46 Cb -0.17 -4.58 -0.05 0.00 0.03 0.00 0.00 46.19 41.42 1sfs s LEU 46 CO 0.39 -2.16 -0.04 0.42 0.23 0.00 0.00 176.35 175.19 1sfs s THR 47 N -2.03 1.09 0.23 5.49 -4.23 -1.26 -4.91 115.64 110.01 1sfs s THR 47 Ca 0.73 -2.05 -0.08 0.00 -1.18 0.00 0.00 61.69 59.11 1sfs s THR 47 Cb -0.28 -2.15 0.21 0.00 1.34 0.00 0.00 72.50 71.62 1sfs s THR 47 CO 0.44 -0.49 1.90 0.03 -0.54 0.00 0.00 174.62 175.97 1sfs h ARG 48 N 2.59 1.16 -0.73 3.99 3.08 -1.92 -1.42 114.38 121.14 1sfs h ARG 48 Ca -0.38 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.60 1sfs h ARG 48 Cb 1.21 -0.26 -0.04 0.00 0.08 0.00 0.00 29.97 30.96 1sfs h ARG 48 CO 0.64 0.77 0.44 0.22 -1.07 0.00 0.00 179.97 180.97 1sfs h ASP 49 N 1.19 0.87 -0.61 7.04 3.58 -1.97 -1.19 116.42 125.34 1sfs h ASP 49 Ca 0.32 -0.06 -0.05 0.00 0.42 0.00 0.00 57.03 57.66 1sfs h ASP 49 Cb -0.14 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 40.67 1sfs h ASP 49 CO -0.07 0.67 0.20 -0.08 -2.88 0.00 0.00 179.24 177.08 1sfs h GLU 50 N 0.99 0.94 -0.73 0.28 4.81 -1.83 -1.84 114.58 117.20 1sfs h GLU 50 Ca 0.26 -0.20 0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1sfs h GLU 50 Cb -0.04 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.16 1sfs h GLU 50 CO -0.05 0.83 0.47 0.82 -0.73 0.00 0.00 179.01 180.35 1sfs h ILE 51 N 0.86 1.14 -0.62 2.32 2.04 -0.74 -0.33 117.51 122.18 1sfs h ILE 51 Ca 0.20 -0.32 0.06 0.00 1.00 0.00 0.00 64.86 65.79 1sfs h ILE 51 Cb 0.28 0.12 -0.05 0.00 -0.74 0.00 0.00 36.82 36.42 1sfs h ILE 51 CO -0.01 0.17 0.33 0.58 0.00 0.00 0.00 178.15 179.22 1sfs h VAL 52 N 0.94 0.95 -0.70 1.67 2.07 -0.97 -0.79 116.25 119.42 1sfs h VAL 52 Ca 0.28 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.62 1sfs h VAL 52 Cb -0.04 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 29.96 1sfs h VAL 52 CO -0.09 0.11 0.43 0.03 0.02 0.00 0.00 177.57 178.08 1sfs h ARG 53 N 0.62 0.80 -0.07 1.57 3.08 -0.55 -0.64 114.38 119.19 1sfs h ARG 53 Ca 0.28 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.22 1sfs h ARG 53 Cb 0.19 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1sfs h ARG 53 CO -0.18 0.53 -0.20 0.82 -1.07 0.00 0.00 179.97 179.87 1sfs h ILE 54 N 0.83 1.42 0.00 2.04 2.04 -0.69 -3.22 117.51 119.93 1sfs h ILE 54 Ca 0.29 -1.56 -0.05 0.00 1.00 0.00 0.00 64.86 64.54 1sfs h ILE 54 Cb 0.05 2.26 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 1sfs h ILE 54 CO -0.12 0.44 -0.24 0.03 0.00 0.00 0.00 178.15 178.26 1sfs h ARG 55 N -0.24 0.00 0.00 2.37 3.08 -1.03 -1.95 114.38 116.62 1sfs h ARG 55 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1sfs h ARG 55 Cb 0.81 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.86 1sfs h ARG 55 CO 0.04 0.24 -0.03 -0.97 -1.07 0.00 0.00 179.97 178.18 1sfs h ASN 56 N 0.00 0.00 -0.05 7.04 -0.73 -1.12 -0.42 115.58 120.30 1sfs h ASN 56 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1sfs h ASN 56 Cb 0.44 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.03 1sfs h ASN 56 CO 0.03 0.03 0.00 -1.22 -0.37 0.00 0.00 177.43 175.90 1sfs n TYR 57 N -4.09 0.05 -1.37 0.67 4.01 -0.75 -4.91 117.16 110.78 1sfs n TYR 57 Ca -0.03 -0.03 -0.05 0.00 -0.16 0.00 0.00 57.90 57.63 1sfs n TYR 57 Cb 0.12 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.13 1sfs n TYR 57 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sfs n GLY 58 N 1.06 0.65 3.75 2.72 0.00 -0.17 -5.03 105.19 108.18 1sfs n GLY 58 Ca 0.19 -0.78 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 1sfs n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sfs s VAL 59 N -2.22 4.73 -0.01 1.61 1.01 -1.13 -4.91 120.40 119.49 1sfs s VAL 59 Ca 0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 61.98 61.82 1sfs s VAL 59 Cb 0.00 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.31 1sfs s VAL 59 CO 0.00 0.61 0.27 -0.54 0.00 0.00 0.00 175.10 175.43 1sfs s LYS 60 N -0.91 3.59 0.04 2.72 1.02 -0.61 -3.85 119.74 121.75 1sfs s LYS 60 Ca 0.14 -0.05 -0.30 0.00 0.02 0.00 0.00 55.97 55.78 1sfs s LYS 60 Cb -0.12 -3.10 -0.04 0.00 -0.52 0.00 0.00 37.83 34.05 1sfs s LYS 60 CO 0.03 0.66 0.98 0.08 -0.92 0.00 0.00 175.35 176.18 1sfs s VAL 61 N -1.26 4.71 -0.59 3.17 1.01 0.34 -0.90 120.40 126.89 1sfs s VAL 61 Ca 0.26 2.06 -0.04 0.00 0.00 0.00 0.00 61.98 64.25 1sfs s VAL 61 Cb -0.13 -4.32 0.15 0.00 0.00 0.00 0.00 36.38 32.08 1sfs s VAL 61 CO 0.15 0.22 0.41 -0.22 0.00 0.00 0.00 175.10 175.66 1sfs s LEU 62 N 0.62 5.41 0.21 3.92 2.96 -0.50 -3.47 118.68 127.82 1sfs s LEU 62 Ca 0.50 -2.59 -0.30 0.00 -0.22 0.00 0.00 54.13 51.52 1sfs s LEU 62 Cb -0.22 -1.89 -0.08 0.00 0.50 0.00 0.00 46.19 44.49 1sfs s LEU 62 CO 0.29 -0.45 0.96 -2.84 -1.32 0.00 0.00 176.35 172.98 1sfs s PRO 63 N 0.32 4.81 -0.07 0.98 0.02 -1.26 -1.52 135.00 138.27 1sfs s PRO 63 Ca 0.14 1.50 0.03 0.00 0.02 0.00 0.00 61.00 62.69 1sfs s PRO 63 Cb -0.20 -3.30 0.01 0.00 0.02 0.00 0.00 34.50 31.02 1sfs s PRO 63 CO -0.04 0.42 -0.15 0.42 -0.33 0.00 0.00 177.00 177.32 1sfs s ILE 64 N -0.88 1.38 -0.28 2.83 1.01 0.07 -1.17 121.20 124.16 1sfs s ILE 64 Ca 0.43 -0.63 -0.10 0.00 0.00 0.00 0.00 60.65 60.35 1sfs s ILE 64 Cb -0.26 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.94 1sfs s ILE 64 CO 0.32 0.41 0.16 -0.47 0.00 0.00 0.00 174.94 175.36 1sfs s TYR 65 N 0.53 3.19 -0.04 3.97 5.04 0.68 -0.47 117.35 130.25 1sfs s TYR 65 Ca -0.15 -0.06 0.07 0.00 -2.44 0.00 0.00 57.07 54.49 1sfs s TYR 65 Cb -0.16 -2.35 0.11 0.00 0.35 0.00 0.00 41.96 39.91 1sfs s TYR 65 CO 0.05 -0.23 1.05 0.27 -1.34 0.00 0.00 175.55 175.35 1sfs n ASN 66 N 5.03 0.79 0.22 4.32 6.94 -1.26 -1.55 115.26 129.75 1sfs n ASN 66 Ca -0.14 -2.37 0.10 0.00 -0.02 0.00 0.00 54.58 52.15 1sfs n ASN 66 Cb 0.52 -0.28 0.38 0.00 -2.36 0.00 0.00 39.78 38.04 1sfs n ASN 66 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1sfs h ALA 67 N 0.04 0.96 -2.38 -2.53 0.00 -1.93 -3.45 119.26 109.97 1sfs h ALA 67 Ca -0.01 -0.18 -0.49 0.00 0.00 0.00 0.00 54.91 54.23 1sfs h ALA 67 Cb 1.28 -0.03 0.06 0.00 0.00 0.00 0.00 17.79 19.10 1sfs h ALA 67 CO 0.00 0.24 0.32 -0.59 0.00 0.00 0.00 179.25 179.23 1sfs s PHE 68 N -3.47 3.44 0.00 0.00 -0.12 -1.26 -5.02 117.98 111.56 1sfs s PHE 68 Ca 0.02 1.01 0.00 0.00 -0.05 0.00 0.00 56.93 57.91 1sfs s PHE 68 Cb 0.09 -2.78 0.00 0.00 -0.63 0.00 0.00 43.02 39.70 1sfs s PHE 68 CO 0.64 -0.82 0.41 0.54 -0.05 0.00 0.00 175.22 175.94 1sfs n ARG 69 N -2.73 -0.35 -3.82 1.99 5.12 -1.26 -5.03 116.66 110.57 1sfs n ARG 69 Ca 0.05 -0.41 -0.10 0.00 -1.93 0.00 0.00 57.85 55.46 1sfs n ARG 69 Cb 0.56 -0.91 -0.08 0.00 -1.16 0.00 0.00 32.46 30.88 1sfs n ARG 69 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1sfs s GLU 70 N -0.07 0.77 -0.40 5.56 0.41 -1.26 -4.74 118.70 118.97 1sfs s GLU 70 Ca 0.00 -0.70 0.11 0.00 -0.41 0.00 0.00 54.97 53.97 1sfs s GLU 70 Cb 0.00 0.32 0.41 0.00 -1.78 0.00 0.00 34.13 33.09 1sfs s GLU 70 CO 0.00 -0.24 0.98 0.00 -0.49 0.00 0.00 175.26 175.51 1sfs n ALA 71 N 0.42 3.98 -2.86 5.21 0.00 -0.08 -5.01 120.51 122.17 1sfs n ALA 71 Ca -0.18 -3.80 -0.27 0.00 0.00 0.00 0.00 53.44 49.19 1sfs n ALA 71 Cb 0.60 -0.77 -0.16 0.00 0.00 0.00 0.00 19.45 19.12 1sfs n ALA 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1sfs s VAL 72 N -4.06 1.56 0.00 0.00 -7.23 -1.25 -1.36 120.40 108.05 1sfs s VAL 72 Ca 0.39 -0.79 0.00 0.00 -1.81 0.00 0.00 61.98 59.77 1sfs s VAL 72 Cb 0.40 -1.34 0.00 0.00 0.56 0.00 0.00 36.38 36.00 1sfs s VAL 72 CO -0.08 0.45 0.00 0.61 -0.31 0.00 0.00 175.10 175.76 1sfs n GLY 73 N 3.09 2.16 0.07 2.32 0.00 -1.26 -4.62 105.19 106.95 1sfs n GLY 73 Ca -0.18 -1.50 -0.11 0.00 0.00 0.00 0.00 46.02 44.23 1sfs n GLY 73 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1sfs h TYR 74 N 0.00 0.12 -0.92 1.61 3.20 -1.92 -1.47 116.97 117.60 1sfs h TYR 74 Ca 0.00 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.88 1sfs h TYR 74 Cb 0.00 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.18 1sfs h TYR 74 CO 0.00 0.16 0.61 0.00 -1.64 0.00 0.00 178.16 177.29 1sfs h ALA 75 N 0.95 1.35 -0.62 1.82 0.00 -1.91 0.05 119.26 120.89 1sfs h ALA 75 Ca 0.03 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1sfs h ALA 75 Cb 0.08 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1sfs h ALA 75 CO -0.01 0.61 0.05 -0.91 0.00 0.00 0.00 179.25 178.99 1sfs h ASN 76 N 1.25 1.03 -0.02 0.00 2.35 -1.77 -1.45 115.58 116.96 1sfs h ASN 76 Ca 0.34 -0.28 -0.06 0.00 -0.55 0.00 0.00 56.30 55.74 1sfs h ASN 76 Cb -0.14 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 37.94 1sfs h ASN 76 CO -0.07 1.06 -0.15 1.23 -1.65 0.00 0.00 177.43 177.85 1sfs h GLY 77 N 0.97 0.36 1.06 2.83 0.00 -0.42 -1.43 103.07 106.45 1sfs h GLY 77 Ca 0.18 -0.24 -0.13 0.00 0.00 0.00 0.00 47.33 47.15 1sfs h GLY 77 CO 0.02 0.22 -0.24 -1.61 0.00 0.00 0.00 176.54 174.93 1sfs h GLN 78 N 0.31 0.89 -0.47 4.80 4.15 -0.56 -1.18 115.11 123.05 1sfs h GLN 78 Ca 0.06 -0.41 -0.01 0.00 0.77 0.00 0.00 58.65 59.07 1sfs h GLN 78 Cb 0.45 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.10 1sfs h GLN 78 CO 0.03 1.06 0.27 0.28 -1.93 0.00 0.00 178.83 178.53 1sfs h VAL 79 N 0.71 1.15 -0.23 2.39 2.07 -1.04 -1.58 116.25 119.72 1sfs h VAL 79 Ca 0.09 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1sfs h VAL 79 Cb 0.81 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1sfs h VAL 79 CO 0.07 0.16 0.14 0.00 0.02 0.00 0.00 177.57 177.96 1sfs h ALA 80 N 1.12 0.30 -0.38 1.67 0.00 -1.09 -0.12 119.26 120.75 1sfs h ALA 80 Ca 0.17 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1sfs h ALA 80 Cb 0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1sfs h ALA 80 CO -0.03 -0.19 0.23 0.00 0.00 0.00 0.00 179.25 179.26 1sfs h ALA 81 N 1.04 0.49 -0.83 0.00 0.00 -1.15 -0.05 119.26 118.75 1sfs h ALA 81 Ca 0.08 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1sfs h ALA 81 Cb 0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1sfs h ALA 81 CO -0.02 -0.02 0.41 0.00 0.00 0.00 0.00 179.25 179.62 1sfs h ARG 82 N 0.50 1.18 -0.47 0.00 3.08 -1.02 -1.44 114.38 116.21 1sfs h ARG 82 Ca 0.14 -0.16 -0.13 0.00 0.07 0.00 0.00 59.98 59.90 1sfs h ARG 82 Cb 0.00 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 1sfs h ARG 82 CO -0.03 0.90 -0.21 -0.91 -1.07 0.00 0.00 179.97 178.65 1sfs h ASN 83 N 1.17 0.99 -0.41 7.04 2.35 -0.69 -1.37 115.58 124.66 1sfs h ASN 83 Ca 0.29 -0.37 -0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1sfs h ASN 83 Cb 0.09 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 1sfs h ASN 83 CO -0.04 1.15 0.25 0.00 -1.65 0.00 0.00 177.43 177.14 1sfs h ALA 84 N 0.92 0.53 -0.61 -0.83 0.00 -0.61 -1.67 119.26 116.97 1sfs h ALA 84 Ca 0.11 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1sfs h ALA 84 Cb 0.78 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1sfs h ALA 84 CO 0.06 0.02 0.20 0.28 0.00 0.00 0.00 179.25 179.81 1sfs h VAL 85 N 0.54 1.24 -0.48 0.00 2.07 -1.19 -0.23 116.25 118.21 1sfs h VAL 85 Ca 0.15 -0.82 0.06 0.00 0.82 0.00 0.00 66.70 66.90 1sfs h VAL 85 Cb 0.00 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 1sfs h VAL 85 CO -0.03 0.31 0.19 0.15 0.02 0.00 0.00 177.57 178.21 1sfs h PHE 86 N 0.87 0.33 -0.42 1.57 3.57 -0.93 0.29 116.94 122.23 1sfs h PHE 86 Ca 0.20 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.63 1sfs h PHE 86 Cb 0.28 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 1sfs h PHE 86 CO 0.02 0.13 -0.10 0.45 -2.23 0.00 0.00 178.31 176.58 1sfs h HIS 87 N 0.37 0.90 -0.77 0.41 3.86 -1.06 -2.43 115.15 116.42 1sfs h HIS 87 Ca 0.22 -0.19 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1sfs h HIS 87 Cb 0.21 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 28.42 1sfs h HIS 87 CO -0.15 0.92 0.50 0.00 0.86 0.00 0.00 177.93 180.06 1sfs h ALA 88 N 0.85 0.97 -0.40 2.45 0.00 -0.53 -1.51 119.26 121.10 1sfs h ALA 88 Ca 0.11 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1sfs h ALA 88 Cb 0.62 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1sfs h ALA 88 CO 0.04 0.41 0.05 0.00 0.00 0.00 0.00 179.25 179.75 1sfs h ARG 89 N 1.04 0.68 -0.48 0.00 3.08 -0.87 -1.22 114.38 116.60 1sfs h ARG 89 Ca 0.28 -0.19 0.02 0.00 0.07 0.00 0.00 59.98 60.16 1sfs h ARG 89 Cb -0.10 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.85 1sfs h ARG 89 CO -0.06 0.73 0.32 0.00 -1.07 0.00 0.00 179.97 179.90 1sfs h ARG 90 N 0.52 0.58 -0.00 0.04 2.47 -1.16 0.25 114.38 117.08 1sfs h ARG 90 Ca 0.12 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.81 1sfs h ARG 90 Cb 0.39 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.58 1sfs h ARG 90 CO 0.01 0.38 -0.04 1.28 0.56 0.00 0.00 179.97 182.17 1sfs n LEU 91 N -4.47 0.10 -0.19 3.04 4.77 -0.59 -4.92 117.00 114.74 1sfs n LEU 91 Ca 0.05 0.26 -0.02 0.00 -0.03 0.00 0.00 56.01 56.26 1sfs n LEU 91 Cb 0.10 -0.30 -0.01 0.00 -2.33 0.00 0.00 43.42 40.89 1sfs n LEU 91 CO 0.35 0.02 -0.02 0.61 -1.33 0.00 0.00 177.39 177.02 1sfs n GLY 92 N 1.32 0.45 3.68 -0.72 0.00 0.08 -4.72 105.19 105.27 1sfs n GLY 92 Ca 0.13 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 1sfs n GLY 92 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sfs s ILE 93 N -2.09 4.11 0.91 -0.61 1.01 -0.52 -5.00 121.20 119.02 1sfs s ILE 93 Ca 0.00 1.44 -0.12 0.00 0.00 0.00 0.00 60.65 61.97 1sfs s ILE 93 Cb 0.00 -3.92 0.14 0.00 0.01 0.00 0.00 42.46 38.68 1sfs s ILE 93 CO 0.00 -0.02 1.09 -2.16 0.00 0.00 0.00 174.94 173.85 1sfs s PRO 94 N 2.49 1.12 0.99 2.79 0.05 -1.26 -4.64 135.00 136.53 1sfs s PRO 94 Ca 0.58 0.83 -0.11 0.00 0.05 0.00 0.00 61.00 62.34 1sfs s PRO 94 Cb -0.26 -1.79 0.18 0.00 0.05 0.00 0.00 34.50 32.68 1sfs s PRO 94 CO 0.22 -2.34 1.09 0.15 0.05 0.00 0.00 177.00 176.17 1sfs s LYS 95 N -4.91 0.50 -1.06 4.56 1.02 -1.26 -3.86 119.74 114.73 1sfs s LYS 95 Ca 0.64 1.04 -0.02 0.00 0.02 0.00 0.00 55.97 57.64 1sfs s LYS 95 Cb -0.18 -1.70 0.00 0.00 -0.52 0.00 0.00 37.83 35.42 1sfs s LYS 95 CO 0.57 -2.82 0.32 -1.71 -0.92 0.00 0.00 175.35 170.79 1sfs n ASN 96 N -4.31 -4.51 -4.19 2.83 5.15 0.12 -4.98 115.26 105.38 1sfs n ASN 96 Ca 0.07 -0.15 -0.21 0.00 -0.60 0.00 0.00 54.58 53.68 1sfs n ASN 96 Cb 0.54 -3.44 -0.13 0.00 -0.53 0.00 0.00 39.78 36.22 1sfs n ASN 96 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1sfs s LYS 97 N -5.17 1.02 0.33 1.20 -0.14 -1.25 -4.60 119.74 111.13 1sfs s LYS 97 Ca 0.16 -0.88 -0.27 0.00 -1.36 0.00 0.00 55.97 53.62 1sfs s LYS 97 Cb -0.07 -1.09 -0.09 0.00 -1.68 0.00 0.00 37.83 34.90 1sfs s LYS 97 CO 0.20 0.26 1.11 -0.51 -0.76 0.00 0.00 175.35 175.65 1sfs s LEU 98 N -1.35 4.38 -0.15 3.17 1.43 -0.14 -1.01 118.68 125.01 1sfs s LEU 98 Ca 0.03 2.25 0.01 0.00 -1.03 0.00 0.00 54.13 55.39 1sfs s LEU 98 Cb -0.09 -3.84 0.02 0.00 0.03 0.00 0.00 46.19 42.32 1sfs s LEU 98 CO 0.02 -0.35 -0.17 -0.76 0.23 0.00 0.00 176.35 175.32 1sfs s LEU 99 N -1.95 1.89 -0.20 1.79 1.43 -0.57 -4.42 118.68 116.65 1sfs s LEU 99 Ca 0.50 -0.54 -0.13 0.00 -1.03 0.00 0.00 54.13 52.93 1sfs s LEU 99 Cb -0.30 -1.29 -0.05 0.00 0.03 0.00 0.00 46.19 44.58 1sfs s LEU 99 CO 0.38 -0.00 0.26 -0.36 0.23 0.00 0.00 176.35 176.86 1sfs s PHE 100 N 1.22 3.39 -0.14 0.29 0.08 -0.32 -0.54 117.98 121.97 1sfs s PHE 100 Ca 0.01 0.46 -0.29 0.00 0.12 0.00 0.00 56.93 57.23 1sfs s PHE 100 Cb -0.14 -2.35 -0.01 0.00 -0.57 0.00 0.00 43.02 39.96 1sfs s PHE 100 CO -0.08 0.13 1.00 0.00 -0.10 0.00 0.00 175.22 176.18 1sfs s ALA 101 N 0.84 3.47 -0.39 5.36 0.00 -0.33 -0.23 121.76 130.48 1sfs s ALA 101 Ca 0.14 0.31 -0.27 0.00 0.00 0.00 0.00 51.96 52.14 1sfs s ALA 101 Cb -0.13 -3.45 0.02 0.00 0.00 0.00 0.00 23.12 19.56 1sfs s ALA 101 CO 0.04 -0.71 1.00 1.21 0.00 0.00 0.00 175.76 177.30 1sfs s ASN 102 N 1.12 6.71 -0.52 0.00 3.84 -0.59 -0.66 114.94 124.84 1sfs s ASN 102 Ca 0.47 0.62 -0.03 0.00 0.21 0.00 0.00 52.86 54.13 1sfs s ASN 102 Cb -0.17 -2.50 0.14 0.00 -0.55 0.00 0.00 41.25 38.16 1sfs s ASN 102 CO 0.15 -0.96 0.32 -0.63 -2.79 0.00 0.00 177.10 173.19 1sfs s ILE 103 N 3.73 3.47 0.67 -5.21 1.01 -0.00 -4.88 121.20 119.98 1sfs s ILE 103 Ca 0.41 -2.53 -0.13 0.00 0.00 0.00 0.00 60.65 58.40 1sfs s ILE 103 Cb -0.11 -3.32 0.00 0.00 0.01 0.00 0.00 42.46 39.04 1sfs s ILE 103 CO 0.21 -0.78 1.07 -1.61 0.00 0.00 0.00 174.94 173.83 1sfs s GLU 104 N 0.52 2.93 0.35 2.79 2.02 -1.26 -4.25 118.70 121.80 1sfs s GLU 104 Ca 0.13 1.13 0.26 0.00 0.02 0.00 0.00 54.97 56.50 1sfs s GLU 104 Cb -0.22 -1.98 1.23 0.00 0.10 0.00 0.00 34.13 33.26 1sfs s GLU 104 CO -0.04 -1.12 1.78 0.38 0.02 0.00 0.00 175.26 176.28 1sfs h ASP 105 N -0.31 0.00 -0.03 -0.19 -0.00 -1.93 -1.47 116.42 112.50 1sfs h ASP 105 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.58 1sfs h ASP 105 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.55 1sfs h ASP 105 CO 0.56 0.00 0.00 2.22 -0.00 0.00 0.00 179.24 182.02 1sfs n PHE 106 N -2.40 0.00 -2.36 4.15 1.16 -1.26 -4.03 117.46 112.72 1sfs n PHE 106 Ca -0.00 -0.00 -0.37 0.00 -1.87 0.00 0.00 57.45 55.21 1sfs n PHE 106 Cb 0.14 -0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 37.99 1sfs n PHE 106 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 1sfs s PHE 107 N -1.78 2.99 0.32 2.97 2.99 -0.55 -5.02 117.98 119.90 1sfs s PHE 107 Ca 0.25 1.57 -0.29 0.00 0.00 0.00 0.00 56.93 58.46 1sfs s PHE 107 Cb 0.18 -3.28 -0.10 0.00 0.00 0.00 0.00 43.02 39.82 1sfs s PHE 107 CO 0.27 -1.19 1.31 0.00 -0.00 0.00 0.00 175.22 175.60 1sfs s ALA 108 N -1.62 3.50 -0.02 5.36 0.00 -1.26 -4.50 121.76 123.21 1sfs s ALA 108 Ca 0.63 1.24 -0.01 0.00 0.00 0.00 0.00 51.96 53.82 1sfs s ALA 108 Cb -0.25 -3.48 0.01 0.00 0.00 0.00 0.00 23.12 19.40 1sfs s ALA 108 CO 0.31 -0.62 0.04 0.08 0.00 0.00 0.00 175.76 175.57 1sfs s VAL 109 N -1.02 -0.02 0.18 0.00 1.01 -1.26 -0.90 120.40 118.40 1sfs s VAL 109 Ca 0.50 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.57 1sfs s VAL 109 Cb -0.39 -0.08 -0.05 0.00 0.00 0.00 0.00 36.38 35.86 1sfs s VAL 109 CO 0.51 0.03 -0.01 1.51 0.00 0.00 0.00 175.10 177.15 1sfs s ASP 110 N 0.39 1.37 0.37 3.32 3.84 -0.47 -4.80 116.67 120.69 1sfs s ASP 110 Ca -0.03 -1.17 0.06 0.00 -0.00 0.00 0.00 52.55 51.41 1sfs s ASP 110 Cb -0.04 0.09 0.73 0.00 -1.38 0.00 0.00 42.92 42.32 1sfs s ASP 110 CO -0.01 -0.54 1.96 0.00 -0.00 0.00 0.00 175.17 176.58 1sfs h ALA 111 N 2.66 1.53 -0.68 2.11 0.00 -1.90 -2.72 119.26 120.26 1sfs h ALA 111 Ca -0.37 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 1sfs h ALA 111 Cb 1.21 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1sfs h ALA 111 CO 0.63 0.36 0.18 0.00 0.00 0.00 0.00 179.25 180.42 1sfs h ALA 112 N 1.62 1.03 -0.34 0.00 0.00 -1.92 -1.06 119.26 118.59 1sfs h ALA 112 Ca 0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1sfs h ALA 112 Cb 0.16 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1sfs h ALA 112 CO -0.01 0.64 0.15 2.35 0.00 0.00 0.00 179.25 182.38 1sfs h TRP 113 N 1.03 0.51 -0.44 0.00 7.01 -1.58 -1.23 115.95 121.25 1sfs h TRP 113 Ca 0.22 -0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.19 1sfs h TRP 113 Cb 0.33 -0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 27.22 1sfs h TRP 113 CO 0.03 0.47 0.29 0.82 -2.79 0.00 0.00 178.44 177.25 1sfs h ILE 114 N 0.41 1.12 -0.46 2.65 2.04 -1.38 -0.28 117.51 121.60 1sfs h ILE 114 Ca 0.12 -0.23 0.06 0.00 1.00 0.00 0.00 64.86 65.80 1sfs h ILE 114 Cb 0.16 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 36.68 1sfs h ILE 114 CO -0.01 0.12 0.17 0.00 0.00 0.00 0.00 178.15 178.42 1sfs h ALA 115 N 1.15 0.56 -0.69 1.87 0.00 -1.06 -1.64 119.26 119.45 1sfs h ALA 115 Ca 0.16 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1sfs h ALA 115 Cb -0.05 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1sfs h ALA 115 CO -0.03 -0.22 0.22 0.00 0.00 0.00 0.00 179.25 179.21 1sfs h ALA 116 N 1.30 0.90 -0.10 0.00 0.00 -0.68 0.18 119.26 120.86 1sfs h ALA 116 Ca 0.22 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1sfs h ALA 116 Cb 0.22 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1sfs h ALA 116 CO -0.22 0.58 -0.09 2.35 0.00 0.00 0.00 179.25 181.86 1sfs h TRP 117 N 1.01 -0.23 -0.05 0.00 2.91 -0.70 -0.33 115.95 118.56 1sfs h TRP 117 Ca 0.22 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.25 1sfs h TRP 117 Cb 0.30 0.12 -0.00 0.00 -0.51 0.00 0.00 29.16 29.06 1sfs h TRP 117 CO 0.02 -0.14 0.02 0.28 -1.03 0.00 0.00 178.44 177.59 1sfs h VAL 118 N -0.11 1.15 -0.31 2.65 2.07 -1.10 -2.85 116.25 117.74 1sfs h VAL 118 Ca 0.07 -0.44 -0.14 0.00 0.82 0.00 0.00 66.70 67.02 1sfs h VAL 118 Cb 0.22 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1sfs h VAL 118 CO -0.17 0.12 -0.35 -0.08 0.02 0.00 0.00 177.57 177.10 1sfs h GLU 119 N -0.09 0.71 -0.13 1.57 4.81 -0.55 -2.83 114.58 118.06 1sfs h GLU 119 Ca 0.02 -0.34 -0.14 0.00 -0.13 0.00 0.00 59.36 58.76 1sfs h GLU 119 Cb 0.18 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1sfs h GLU 119 CO -0.00 0.95 -0.54 1.15 -0.73 0.00 0.00 179.01 179.85 1sfs h THR 120 N 0.59 1.34 0.00 0.32 2.02 -1.10 -3.15 112.91 112.94 1sfs h THR 120 Ca 0.06 -1.81 -0.03 0.00 0.77 0.00 0.00 66.41 65.40 1sfs h THR 120 Cb 0.88 1.83 -0.00 0.00 -1.74 0.00 0.00 68.15 69.12 1sfs h THR 120 CO 0.08 0.55 -0.15 -0.07 0.37 0.00 0.00 175.52 176.30 1sfs h LEU 121 N 0.29 0.00 -0.13 2.58 3.38 -1.34 -3.37 115.31 116.72 1sfs h LEU 121 Ca 0.01 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1sfs h LEU 121 Cb 1.04 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.73 1sfs h LEU 121 CO 0.09 0.15 -0.30 0.22 0.09 0.00 0.00 178.44 178.69 1sfs h TYR 122 N 0.00 -0.82 0.00 1.13 3.20 -1.46 -2.08 116.97 116.94 1sfs h TYR 122 Ca -0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1sfs h TYR 122 Cb 1.06 0.38 0.00 0.00 1.54 0.00 0.00 36.73 39.71 1sfs h TYR 122 CO 0.00 -0.38 0.00 -0.35 -1.64 0.00 0.00 178.16 175.79 1sfs n PRO 123 N -5.40 0.57 0.12 1.82 -0.04 -1.26 -2.36 135.00 128.45 1sfs n PRO 123 Ca -0.03 0.03 0.12 0.00 -0.04 0.00 0.00 63.50 63.58 1sfs n PRO 123 Cb 0.32 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.52 1sfs n PRO 123 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1sfs h THR 124 N 0.00 0.00 0.00 0.52 1.35 -1.58 -3.48 112.91 109.73 1sfs h THR 124 Ca 0.00 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 1sfs h THR 124 Cb 0.10 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 1sfs h THR 124 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1sfs n GLY 125 N 1.26 2.21 3.83 5.82 0.00 -1.00 -4.89 105.19 112.41 1sfs n GLY 125 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1sfs n GLY 125 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sfs s TYR 126 N -2.31 3.41 -0.11 1.61 1.51 -1.24 0.15 117.35 120.37 1sfs s TYR 126 Ca 0.00 1.46 -0.08 0.00 -1.01 0.00 0.00 57.07 57.44 1sfs s TYR 126 Cb 0.00 -2.71 -0.04 0.00 -0.11 0.00 0.00 41.96 39.09 1sfs s TYR 126 CO 0.00 0.05 0.17 0.50 -1.11 0.00 0.00 175.55 175.16 1sfs s ARG 127 N -2.86 3.53 -0.06 -0.62 3.52 -0.18 -4.31 118.95 117.98 1sfs s ARG 127 Ca 0.56 -0.08 -0.30 0.00 -0.13 0.00 0.00 55.73 55.78 1sfs s ARG 127 Cb -0.11 -3.21 -0.02 0.00 -1.56 0.00 0.00 34.95 30.05 1sfs s ARG 127 CO 0.17 0.74 1.04 -1.25 -0.81 0.00 0.00 175.30 175.19 1sfs s PRO 128 N -0.95 4.44 0.12 5.12 0.04 -1.26 -1.50 135.00 141.01 1sfs s PRO 128 Ca 0.16 1.47 0.06 0.00 0.04 0.00 0.00 61.00 62.73 1sfs s PRO 128 Cb -0.12 -3.51 -0.04 0.00 0.04 0.00 0.00 34.50 30.86 1sfs s PRO 128 CO 0.05 -0.27 -0.04 0.20 0.04 0.00 0.00 177.00 176.98 1sfs s GLY 129 N 1.14 1.83 -0.11 0.56 0.00 0.30 -1.49 107.32 109.55 1sfs s GLY 129 Ca 0.51 -1.22 -0.01 0.00 0.00 0.00 0.00 44.72 44.00 1sfs s GLY 129 CO 0.22 -1.21 -0.05 1.08 0.00 0.00 0.00 173.10 173.13 1sfs s LEU 130 N -2.43 1.12 -0.41 0.66 1.43 0.22 -1.19 118.68 118.08 1sfs s LEU 130 Ca 0.25 -0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 52.91 1sfs s LEU 130 Cb -0.11 -0.76 0.05 0.00 0.03 0.00 0.00 46.19 45.41 1sfs s LEU 130 CO 0.17 -0.15 0.26 -0.47 0.23 0.00 0.00 176.35 176.38 1sfs s TYR 131 N 1.76 3.28 0.22 0.29 5.04 0.16 -0.71 117.35 127.38 1sfs s TYR 131 Ca 0.04 -1.15 -0.18 0.00 -2.44 0.00 0.00 57.07 53.34 1sfs s TYR 131 Cb -0.13 -2.73 0.03 0.00 0.35 0.00 0.00 41.96 39.47 1sfs s TYR 131 CO -0.08 -0.74 0.57 0.00 -1.34 0.00 0.00 175.55 173.96 1sfs s ALA 132 N 1.52 -0.99 -0.37 3.97 0.00 -0.58 -0.82 121.76 124.50 1sfs s ALA 132 Ca 0.03 -0.25 -0.11 0.00 0.00 0.00 0.00 51.96 51.63 1sfs s ALA 132 Cb -0.21 0.88 0.03 0.00 0.00 0.00 0.00 23.12 23.81 1sfs s ALA 132 CO 0.05 -0.86 0.20 0.34 0.00 0.00 0.00 175.76 175.49 1sfs s ASP 133 N -2.89 5.70 0.00 0.00 -1.08 -1.26 -1.07 116.67 116.08 1sfs s ASP 133 Ca 0.10 -0.99 0.13 0.00 -0.52 0.00 0.00 52.55 51.27 1sfs s ASP 133 Cb -0.02 -2.01 0.61 0.00 -1.46 0.00 0.00 42.92 40.03 1sfs s ASP 133 CO -0.00 -0.38 1.41 -0.81 0.52 0.00 0.00 175.17 175.91 1sfs n PRO 134 N 4.99 1.29 0.00 4.34 -0.04 -1.26 -3.44 135.00 140.87 1sfs n PRO 134 Ca -0.12 -0.44 0.05 0.00 -0.04 0.00 0.00 63.50 62.95 1sfs n PRO 134 Cb 0.46 -1.23 -0.01 0.00 -0.04 0.00 0.00 33.50 32.67 1sfs n PRO 134 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1sfs n THR 135 N -0.26 0.00 -3.74 0.52 -2.24 -1.26 -4.60 114.28 102.70 1sfs n THR 135 Ca 0.10 -0.36 -0.12 0.00 -2.27 0.00 0.00 64.05 61.40 1sfs n THR 135 Cb 0.14 1.09 -0.13 0.00 -2.10 0.00 0.00 70.33 69.33 1sfs n THR 135 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1sfs s LYS 136 N -1.50 0.23 0.60 -0.78 2.20 -1.22 -5.11 119.74 114.16 1sfs s LYS 136 Ca 0.07 0.49 0.00 0.00 -0.36 0.00 0.00 55.97 56.18 1sfs s LYS 136 Cb 0.08 -0.05 0.00 0.00 -1.51 0.00 0.00 37.83 36.35 1sfs s LYS 136 CO 0.29 -0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.56 1sfs n GLY 137 N 3.91 -2.21 0.11 5.54 0.00 -1.26 -4.57 105.19 106.72 1sfs n GLY 137 Ca -0.22 -1.54 0.12 0.00 0.00 0.00 0.00 46.02 44.38 1sfs n GLY 137 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sfs n ASP 138 N 0.33 0.69 0.06 1.61 10.43 -1.26 -4.30 116.55 124.11 1sfs n ASP 138 Ca 0.00 0.62 -0.11 0.00 2.57 0.00 0.00 54.79 57.87 1sfs n ASP 138 Cb 0.00 -0.78 -0.05 0.00 1.84 0.00 0.00 41.12 42.13 1sfs n ASP 138 CO 0.00 0.00 0.00 0.15 -1.07 0.00 0.00 177.20 176.28 1sfs h PHE 139 N 0.00 -0.41 -0.51 1.24 3.57 -1.82 -2.43 116.94 116.58 1sfs h PHE 139 Ca 0.00 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 1sfs h PHE 139 Cb 0.51 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 1sfs h PHE 139 CO 0.00 -0.23 0.30 0.00 -2.23 0.00 0.00 178.31 176.15 1sfs h ALA 140 N 0.66 0.65 -0.55 2.41 0.00 -1.80 0.87 119.26 121.49 1sfs h ALA 140 Ca 0.05 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1sfs h ALA 140 Cb 0.33 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1sfs h ALA 140 CO -0.14 0.15 0.04 0.00 0.00 0.00 0.00 179.25 179.29 1sfs h ALA 141 N 1.14 0.74 -0.50 0.00 0.00 -1.85 -0.82 119.26 117.97 1sfs h ALA 141 Ca 0.18 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1sfs h ALA 141 Cb 0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1sfs h ALA 141 CO -0.03 0.53 0.31 0.00 0.00 0.00 0.00 179.25 180.06 1sfs h ALA 142 N 0.97 0.63 -0.18 0.00 0.00 -0.94 -0.75 119.26 119.00 1sfs h ALA 142 Ca 0.16 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1sfs h ALA 142 Cb 0.49 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1sfs h ALA 142 CO 0.02 0.11 0.10 -0.92 0.00 0.00 0.00 179.25 178.56 1sfs h TYR 143 N 0.67 0.24 -0.32 0.00 3.20 -0.70 -0.61 116.97 119.45 1sfs h TYR 143 Ca 0.18 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.96 1sfs h TYR 143 Cb -0.03 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 1sfs h TYR 143 CO -0.03 0.23 -0.18 0.00 -1.64 0.00 0.00 178.16 176.54 1sfs h GLU 145 N 0.52 0.69 -0.75 0.00 4.81 -1.01 -1.20 114.58 117.63 1sfs h GLU 145 Ca 0.09 -0.15 0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1sfs h GLU 145 Cb 0.60 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 1sfs h GLU 145 CO 0.04 0.68 0.48 0.00 -0.73 0.00 0.00 179.01 179.48 1sfs h ALA 146 N 0.98 0.98 -0.71 2.92 0.00 -0.49 -1.10 119.26 121.84 1sfs h ALA 146 Ca 0.14 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1sfs h ALA 146 Cb 0.28 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1sfs h ALA 146 CO -0.00 0.30 0.32 0.28 0.00 0.00 0.00 179.25 180.15 1sfs h VAL 147 N 0.96 1.24 -0.97 0.00 2.07 -0.96 -0.98 116.25 117.61 1sfs h VAL 147 Ca 0.29 -0.71 0.03 0.00 0.82 0.00 0.00 66.70 67.13 1sfs h VAL 147 Cb -0.02 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.07 1sfs h VAL 147 CO -0.10 0.29 0.63 0.77 0.02 0.00 0.00 177.57 179.19 1sfs h SER 148 N 1.01 1.07 1.04 0.57 4.64 -0.63 -2.67 113.55 118.59 1sfs h SER 148 Ca 0.24 -0.02 -0.15 0.00 -0.47 0.00 0.00 61.79 61.39 1sfs h SER 148 Cb 0.15 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.97 1sfs h SER 148 CO -0.03 0.75 -0.73 0.03 -0.87 0.00 0.00 176.83 175.98 1sfs h ARG 149 N 1.26 0.00 -1.46 4.77 3.08 -0.91 -3.43 114.38 117.69 1sfs h ARG 149 Ca 0.37 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.34 1sfs h ARG 149 Cb -0.06 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 29.73 1sfs h ARG 149 CO -0.10 0.73 -0.45 1.21 -1.07 0.00 0.00 179.97 180.29 1sfs s ASN 150 N -6.64 -0.41 0.56 7.04 2.47 -0.40 -5.03 114.94 112.53 1sfs s ASN 150 Ca 0.01 0.06 0.28 0.00 0.42 0.00 0.00 52.86 53.63 1sfs s ASN 150 Cb 0.10 1.50 1.47 0.00 -1.45 0.00 0.00 41.25 42.87 1sfs s ASN 150 CO 0.77 -0.32 1.96 -0.55 -3.72 0.00 0.00 177.10 175.25 1sfs h ASN 151 N 8.10 0.00 -0.01 -4.21 -1.07 -1.74 -1.12 115.58 115.54 1sfs h ASN 151 Ca -0.11 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.26 1sfs h ASN 151 Cb 1.15 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.40 1sfs h ASN 151 CO 0.24 0.00 0.05 1.56 0.07 0.00 0.00 177.43 179.34 1sfs h GLN 152 N 0.00 0.00 -0.58 4.14 1.08 -1.92 -0.50 115.11 117.33 1sfs h GLN 152 Ca 0.25 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.47 1sfs h GLN 152 Cb 1.11 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.50 1sfs h GLN 152 CO -0.00 0.00 0.36 0.28 -0.95 0.00 0.00 178.83 178.52 1sfs h VAL 153 N 0.00 1.09 -0.08 -0.54 2.07 -1.50 0.72 116.25 118.01 1sfs h VAL 153 Ca 0.01 -0.25 -0.16 0.00 0.82 0.00 0.00 66.70 67.12 1sfs h VAL 153 Cb 0.10 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1sfs h VAL 153 CO -0.00 0.13 -0.66 0.00 0.02 0.00 0.00 177.57 177.06 1sfs h ALA 154 N 1.24 0.72 -0.01 1.67 0.00 -1.30 -1.12 119.26 120.46 1sfs h ALA 154 Ca 0.23 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1sfs h ALA 154 Cb -0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1sfs h ALA 154 CO -0.08 0.75 -0.01 0.28 0.00 0.00 0.00 179.25 180.19 1sfs h VAL 155 N 0.23 1.33 0.15 0.00 2.07 -1.09 -3.38 116.25 115.55 1sfs h VAL 155 Ca -0.02 -0.98 -0.30 0.00 0.82 0.00 0.00 66.70 66.23 1sfs h VAL 155 Cb 1.21 1.96 0.01 0.00 -1.52 0.00 0.00 31.29 32.95 1sfs h VAL 155 CO 0.11 0.26 -1.47 1.56 0.02 0.00 0.00 177.57 178.05 1sfs h GLN 156 N -0.38 0.32 -6.96 1.57 1.08 -0.91 -3.47 115.11 106.35 1sfs h GLN 156 Ca 0.00 -0.54 -0.50 0.00 -1.45 0.00 0.00 58.65 56.16 1sfs h GLN 156 Cb 0.42 0.20 0.04 0.00 -0.05 0.00 0.00 27.48 28.10 1sfs h GLN 156 CO 0.00 1.26 0.46 0.00 -0.95 0.00 0.00 178.83 179.60 1sfs s ALA 157 N -2.51 3.08 -0.10 3.87 0.00 -0.42 -4.35 121.76 121.33 1sfs s ALA 157 Ca -0.17 0.86 0.03 0.00 0.00 0.00 0.00 51.96 52.67 1sfs s ALA 157 Cb 0.04 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.82 1sfs s ALA 157 CO 0.81 -0.44 -0.21 0.08 0.00 0.00 0.00 175.76 176.01 1sfs s VAL 158 N -1.54 2.37 -0.16 0.00 1.01 -0.55 -4.20 120.40 117.33 1sfs s VAL 158 Ca 0.59 -0.91 -0.08 0.00 0.00 0.00 0.00 61.98 61.57 1sfs s VAL 158 Cb -0.27 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1sfs s VAL 158 CO 0.33 0.55 0.12 -0.63 0.00 0.00 0.00 175.10 175.48 1sfs s ILE 159 N 0.26 5.35 -0.41 2.22 1.01 0.28 -0.61 121.20 129.31 1sfs s ILE 159 Ca -0.14 0.16 -0.10 0.00 0.00 0.00 0.00 60.65 60.56 1sfs s ILE 159 Cb -0.17 -3.38 0.07 0.00 0.01 0.00 0.00 42.46 38.98 1sfs s ILE 159 CO 0.07 0.52 0.26 0.86 0.00 0.00 0.00 174.94 176.65 1sfs s TRP 160 N -0.27 3.30 -0.01 3.97 -0.00 0.11 -1.73 118.94 124.32 1sfs s TRP 160 Ca 0.11 -1.34 -0.20 0.00 -0.00 0.00 0.00 56.10 54.67 1sfs s TRP 160 Cb -0.12 -2.84 -0.05 0.00 -0.00 0.00 0.00 33.47 30.46 1sfs s TRP 160 CO 0.01 -0.80 0.58 0.45 -0.00 0.00 0.00 176.95 177.19 1sfs s SER 161 N 2.02 6.95 -0.24 5.86 0.15 -0.01 -1.52 113.70 126.91 1sfs s SER 161 Ca 0.03 1.13 0.10 0.00 0.70 0.00 0.00 55.95 57.91 1sfs s SER 161 Cb -0.22 -2.36 0.67 0.00 -1.71 0.00 0.00 66.02 62.41 1sfs s SER 161 CO 0.04 0.11 1.60 0.00 1.20 0.00 0.00 173.24 176.18 1sfs n ALA 162 N 2.73 3.96 -3.03 5.45 0.00 -0.23 -0.87 120.51 128.52 1sfs n ALA 162 Ca -0.07 -1.78 -0.12 0.00 0.00 0.00 0.00 53.44 51.47 1sfs n ALA 162 Cb 0.51 -1.16 -0.08 0.00 0.00 0.00 0.00 19.45 18.72 1sfs n ALA 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sfs s ALA 163 N -2.55 -0.68 1.09 0.00 0.00 -1.26 -4.60 121.76 113.76 1sfs s ALA 163 Ca 0.47 0.03 -0.16 0.00 0.00 0.00 0.00 51.96 52.30 1sfs s ALA 163 Cb 0.36 0.28 0.24 0.00 0.00 0.00 0.00 23.12 24.00 1sfs s ALA 163 CO 0.13 -0.39 1.14 -1.25 0.00 0.00 0.00 175.76 175.39 1sfs s PRO 164 N -2.37 -0.32 -0.52 0.00 0.04 -1.26 -0.32 135.00 130.25 1sfs s PRO 164 Ca -0.06 0.05 0.06 0.00 0.04 0.00 0.00 61.00 61.09 1sfs s PRO 164 Cb -0.02 -1.69 0.22 0.00 0.04 0.00 0.00 34.50 33.06 1sfs s PRO 164 CO -0.02 -3.13 0.56 -2.13 0.04 0.00 0.00 177.00 172.31 1sfs n ARG 165 N -4.37 1.36 0.28 4.56 0.63 -1.26 -4.52 116.66 113.33 1sfs n ARG 165 Ca 0.11 -3.87 0.16 0.00 -0.92 0.00 0.00 57.85 53.33 1sfs n ARG 165 Cb 0.59 -1.79 0.82 0.00 0.45 0.00 0.00 32.46 32.53 1sfs n ARG 165 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 1sfs h PRO 166 N 4.57 0.00 0.00 -0.14 0.13 -1.80 -3.46 132.00 131.29 1sfs h PRO 166 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1sfs h PRO 166 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1sfs h PRO 166 CO 0.60 0.07 0.00 0.41 -0.23 0.00 0.00 178.00 178.85 1sfs n GLY 167 N -0.63 3.75 3.75 1.56 0.00 -0.37 -5.02 105.19 108.22 1sfs n GLY 167 Ca -0.02 -1.72 -0.37 0.00 0.00 0.00 0.00 46.02 43.92 1sfs n GLY 167 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sfs s THR 168 N -2.42 2.44 0.16 2.61 -4.23 -1.26 -4.27 115.64 108.66 1sfs s THR 168 Ca 0.00 0.29 -0.06 0.00 -1.18 0.00 0.00 61.69 60.74 1sfs s THR 168 Cb 0.00 -3.12 -0.02 0.00 1.34 0.00 0.00 72.50 70.70 1sfs s THR 168 CO 0.00 -0.05 0.20 0.42 -0.54 0.00 0.00 174.62 174.65 1sfs s THR 169 N -1.50 0.07 0.73 3.99 -4.23 -1.26 -5.03 115.64 108.41 1sfs s THR 169 Ca 0.77 -1.63 -0.15 0.00 -1.18 0.00 0.00 61.69 59.50 1sfs s THR 169 Cb -0.33 -2.00 0.04 0.00 1.34 0.00 0.00 72.50 71.55 1sfs s THR 169 CO 0.37 -0.31 1.21 -0.54 -0.54 0.00 0.00 174.62 174.80 1sfs s LYS 170 N -4.02 2.14 0.24 3.99 1.02 -1.26 -4.86 119.74 116.99 1sfs s LYS 170 Ca 0.22 1.76 -0.04 0.00 0.02 0.00 0.00 55.97 57.93 1sfs s LYS 170 Cb 0.05 -1.83 0.46 0.00 -0.52 0.00 0.00 37.83 35.98 1sfs s LYS 170 CO 0.02 -1.84 1.72 1.49 -0.92 0.00 0.00 175.35 175.83 1sfs h GLU 171 N -0.29 0.39 0.00 1.68 4.81 -1.22 -1.74 114.58 118.21 1sfs h GLU 171 Ca -0.48 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1sfs h GLU 171 Cb 1.30 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1sfs h GLU 171 CO 0.50 0.26 0.00 1.04 -0.73 0.00 0.00 179.01 180.08 1sfs n GLN 172 N -5.03 0.19 -0.44 1.92 1.13 -1.26 -2.30 117.38 111.60 1sfs n GLN 172 Ca 0.14 0.26 0.08 0.00 -1.94 0.00 0.00 57.00 55.54 1sfs n GLN 172 Cb 0.42 -1.77 0.27 0.00 0.11 0.00 0.00 30.24 29.27 1sfs n GLN 172 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1sfs n LYS 173 N -2.12 3.26 -1.80 -1.09 4.76 -0.69 -5.02 118.16 115.46 1sfs n LYS 173 Ca 0.04 -2.63 -0.37 0.00 -2.87 0.00 0.00 58.31 52.49 1sfs n LYS 173 Cb 0.34 -1.69 0.06 0.00 -1.84 0.00 0.00 35.03 31.89 1sfs n LYS 173 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1sfs s ALA 174 N -1.87 2.48 0.83 7.82 0.00 -0.97 -4.85 121.76 125.20 1sfs s ALA 174 Ca 0.40 1.20 -0.12 0.00 0.00 0.00 0.00 51.96 53.45 1sfs s ALA 174 Cb 0.27 -3.54 0.09 0.00 0.00 0.00 0.00 23.12 19.94 1sfs s ALA 174 CO 0.17 -1.48 1.11 -1.25 0.00 0.00 0.00 175.76 174.31 1sfs s PRO 175 N -3.29 1.81 0.33 0.00 0.04 -1.26 -5.00 135.00 127.64 1sfs s PRO 175 Ca 0.80 0.53 -0.29 0.00 0.04 0.00 0.00 61.00 62.08 1sfs s PRO 175 Cb -0.37 -1.90 -0.11 0.00 0.04 0.00 0.00 34.50 32.17 1sfs s PRO 175 CO 0.40 -1.78 1.50 0.50 0.04 0.00 0.00 177.00 177.65 1sfs s ARG 176 N -5.20 4.16 -0.10 4.56 3.52 -1.26 -4.88 118.95 119.75 1sfs s ARG 176 Ca 0.62 2.51 -0.31 0.00 -0.13 0.00 0.00 55.73 58.41 1sfs s ARG 176 Cb -0.14 -3.01 -0.09 0.00 -1.56 0.00 0.00 34.95 30.14 1sfs s ARG 176 CO 0.54 -0.52 2.04 0.98 -0.81 0.00 0.00 175.30 177.53 1sfs n TYR 177 N 1.29 2.25 -2.74 5.12 9.36 -1.26 -4.87 117.16 126.31 1sfs n TYR 177 Ca 0.04 -0.17 -0.07 0.00 3.32 0.00 0.00 57.90 61.02 1sfs n TYR 177 Cb 0.39 -2.73 0.05 0.00 -0.63 0.00 0.00 39.34 36.42 1sfs n TYR 177 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 1sfs n GLN 178 N 7.73 0.65 -1.89 2.98 -0.06 -1.26 -5.04 117.38 120.49 1sfs n GLN 178 Ca 0.25 -1.62 -0.35 0.00 -2.00 0.00 0.00 57.00 53.28 1sfs n GLN 178 Cb 0.38 -1.28 0.04 0.00 -4.06 0.00 0.00 30.24 25.32 1sfs n GLN 178 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 1sfs s PRO 179 N 0.66 2.82 0.49 3.69 0.04 -1.26 -4.65 135.00 136.79 1sfs s PRO 179 Ca 0.31 1.76 -0.22 0.00 0.04 0.00 0.00 61.00 62.88 1sfs s PRO 179 Cb 0.19 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.75 1sfs s PRO 179 CO -0.20 -1.31 1.22 0.00 0.04 0.00 0.00 177.00 176.75 1sfs s ALA 180 N -1.75 2.91 0.14 8.56 0.00 0.57 -4.91 121.76 127.28 1sfs s ALA 180 Ca 0.76 1.05 0.07 0.00 0.00 0.00 0.00 51.96 53.83 1sfs s ALA 180 Cb -0.29 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 1sfs s ALA 180 CO 0.36 -0.88 -0.15 0.00 0.00 0.00 0.00 175.76 175.09 1sfs s ALA 181 N -1.48 1.66 0.87 0.00 0.00 -1.26 -4.80 121.76 116.74 1sfs s ALA 181 Ca 0.66 -1.38 -0.11 0.00 0.00 0.00 0.00 51.96 51.14 1sfs s ALA 181 Cb -0.32 -0.10 0.11 0.00 0.00 0.00 0.00 23.12 22.82 1sfs s ALA 181 CO 0.38 0.12 1.10 -1.25 0.00 0.00 0.00 175.76 176.11 1sfs s PRO 182 N -2.84 1.45 -0.14 0.00 0.04 -1.26 -4.89 135.00 127.36 1sfs s PRO 182 Ca 0.12 1.11 -0.00 0.00 0.04 0.00 0.00 61.00 62.27 1sfs s PRO 182 Cb -0.04 -1.81 0.11 0.00 0.04 0.00 0.00 34.50 32.80 1sfs s PRO 182 CO 0.04 -2.19 1.85 -0.35 0.04 0.00 0.00 177.00 176.39 1sfs n PRO 183 N -3.89 1.36 -3.99 0.56 -0.04 -1.26 -4.79 135.00 122.95 1sfs n PRO 183 Ca 0.09 -0.72 -0.11 0.00 -0.04 0.00 0.00 63.50 62.71 1sfs n PRO 183 Cb 0.54 -1.28 -0.03 0.00 -0.04 0.00 0.00 33.50 32.68 1sfs n PRO 183 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sfs n SER 185 N -1.07 3.42 -3.44 0.00 7.64 -1.26 -4.98 113.62 113.93 1sfs n SER 185 Ca -0.02 1.15 -0.12 0.00 1.01 0.00 0.00 58.87 60.88 1sfs n SER 185 Cb 0.61 -1.53 -0.03 0.00 -1.01 0.00 0.00 64.21 62.26 1sfs n SER 185 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sfs s ALA 186 N -0.09 -1.65 -0.86 -0.43 0.00 -1.26 -4.74 121.76 112.74 1sfs s ALA 186 Ca 0.65 0.66 -0.09 0.00 0.00 0.00 0.00 51.96 53.18 1sfs s ALA 186 Cb -0.55 0.71 0.22 0.00 0.00 0.00 0.00 23.12 23.50 1sfs s ALA 186 CO 0.50 -0.70 0.78 -0.80 0.00 0.00 0.00 175.76 175.54 1sfs s ASN 187 N -2.50 6.46 -0.93 0.00 0.01 -1.26 -5.01 114.94 111.72 1sfs s ASN 187 Ca -0.00 -3.09 -0.17 0.00 -0.71 0.00 0.00 52.86 48.89 1sfs s ASN 187 Cb -0.01 -2.09 0.16 0.00 0.41 0.00 0.00 41.25 39.72 1sfs s ASN 187 CO -0.09 -0.41 1.05 -0.69 -1.51 0.00 0.00 177.10 175.45 1sfs s VAL 188 N -0.45 5.04 -1.54 1.60 1.01 -1.26 -0.55 120.40 124.24 1sfs s VAL 188 Ca 0.22 -1.97 0.16 0.00 0.00 0.00 0.00 61.98 60.39 1sfs s VAL 188 Cb -0.12 -4.70 0.02 0.00 0.00 0.00 0.00 36.38 31.59 1sfs s VAL 188 CO -0.08 -1.37 0.87 0.79 0.00 0.00 0.00 175.10 175.31 1sfs n TRP 189 N 5.64 0.00 -4.06 5.22 8.01 -0.70 -4.82 117.44 126.72 1sfs n TRP 189 Ca 0.22 0.00 -0.13 0.00 -1.31 0.00 0.00 57.50 56.28 1sfs n TRP 189 Cb 0.48 0.00 -0.12 0.00 -2.01 0.00 0.00 31.31 29.66 1sfs n TRP 189 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 1sfs s VAL 190 N -1.77 0.44 -0.09 -0.99 1.01 -1.13 -0.95 120.40 116.92 1sfs s VAL 190 Ca 0.14 -0.84 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 1sfs s VAL 190 Cb 0.13 -0.49 0.04 0.00 0.00 0.00 0.00 36.38 36.06 1sfs s VAL 190 CO 0.36 -0.28 0.09 0.86 0.00 0.00 0.00 175.10 176.13 1sfs s TRP 191 N -1.07 0.05 -0.68 5.22 -0.00 0.35 -0.83 118.94 121.97 1sfs s TRP 191 Ca -0.08 0.14 -0.24 0.00 -0.00 0.00 0.00 56.10 55.92 1sfs s TRP 191 Cb -0.08 -0.51 0.06 0.00 -0.00 0.00 0.00 33.47 32.94 1sfs s TRP 191 CO 0.00 -0.31 1.06 -1.14 -0.00 0.00 0.00 176.95 176.55 1sfs s GLN 192 N 2.19 3.14 0.00 5.86 0.74 -0.05 -1.07 119.66 130.46 1sfs s GLN 192 Ca 0.04 -0.64 0.24 0.00 0.05 0.00 0.00 55.36 55.05 1sfs s GLN 192 Cb -0.13 -4.21 0.37 0.00 1.10 0.00 0.00 33.01 30.14 1sfs s GLN 192 CO -0.06 -1.91 1.32 2.48 -0.55 0.00 0.00 175.29 176.58 1sfs n TYR 193 N 8.20 0.00 -3.61 1.67 0.18 -0.68 -4.32 117.16 118.59 1sfs n TYR 193 Ca -0.02 0.00 -0.16 0.00 1.88 0.00 0.00 57.90 59.60 1sfs n TYR 193 Cb 0.47 -0.19 -0.07 0.00 -0.38 0.00 0.00 39.34 39.17 1sfs n TYR 193 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 1sfs s GLY 194 N -2.96 -0.42 0.04 -7.48 0.00 -1.13 -1.23 107.32 94.14 1sfs s GLY 194 Ca 0.11 0.99 0.08 0.00 0.00 0.00 0.00 44.72 45.91 1sfs s GLY 194 CO 0.72 0.69 -0.22 0.50 0.00 0.00 0.00 173.10 174.79 1sfs s ARG 195 N -1.15 1.95 -0.42 2.90 0.52 -1.26 -1.46 118.95 120.04 1sfs s ARG 195 Ca -0.11 -1.04 -0.08 0.00 -0.52 0.00 0.00 55.73 53.98 1sfs s ARG 195 Cb -0.02 -2.10 0.01 0.00 0.52 0.00 0.00 34.95 33.36 1sfs s ARG 195 CO 0.07 0.53 0.49 -0.25 0.02 0.00 0.00 175.30 176.16 1sfs n ASP 196 N 1.65 -6.57 -4.77 0.23 8.00 -1.13 -4.60 116.55 109.36 1sfs n ASP 196 Ca -0.17 0.25 -0.40 0.00 0.71 0.00 0.00 54.79 55.19 1sfs n ASP 196 Cb 0.52 -4.38 -0.01 0.00 -0.02 0.00 0.00 41.12 37.23 1sfs n ASP 196 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sfs s ALA 197 N -2.51 3.37 0.21 2.24 0.00 -0.24 -4.87 121.76 119.97 1sfs s ALA 197 Ca 0.13 1.27 -0.11 0.00 0.00 0.00 0.00 51.96 53.25 1sfs s ALA 197 Cb -0.04 -3.49 0.28 0.00 0.00 0.00 0.00 23.12 19.87 1sfs s ALA 197 CO 0.59 -0.78 1.66 1.49 0.00 0.00 0.00 175.76 178.72 1sfs h GLU 198 N 2.95 0.10 0.00 0.00 4.81 -1.92 -3.33 114.58 117.20 1sfs h GLU 198 Ca -0.49 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1sfs h GLU 198 Cb 1.24 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1sfs h GLU 198 CO 0.64 0.07 -1.77 0.28 -0.73 0.00 0.00 179.01 177.50 1sfs n VAL 199 N -5.29 0.00 -3.89 0.32 0.31 -1.26 -4.96 118.33 103.56 1sfs n VAL 199 Ca 0.08 -0.40 -0.11 0.00 -0.01 0.00 0.00 64.34 63.91 1sfs n VAL 199 Cb 0.34 0.19 -0.12 0.00 -0.91 0.00 0.00 33.84 33.33 1sfs n VAL 199 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sfs n PRO 201 N 2.48 3.22 -4.13 0.00 -0.04 -1.26 -3.85 135.00 131.41 1sfs n PRO 201 Ca -0.17 -2.81 -0.09 0.00 -0.04 0.00 0.00 63.50 60.39 1sfs n PRO 201 Cb 0.58 -3.11 -0.10 0.00 -0.04 0.00 0.00 33.50 30.83 1sfs n PRO 201 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1sfs s VAL 202 N 2.19 0.39 0.23 0.52 -7.23 -1.26 -4.67 120.40 110.56 1sfs s VAL 202 Ca 0.48 -1.88 0.04 0.00 -1.81 0.00 0.00 61.98 58.82 1sfs s VAL 202 Cb 0.14 -1.69 -0.03 0.00 0.56 0.00 0.00 36.38 35.36 1sfs s VAL 202 CO -0.06 -0.85 0.35 -1.81 -0.31 0.00 0.00 175.10 172.42 1sfs s ASP 203 N -2.99 6.32 -0.04 4.85 -0.00 -0.34 -1.07 116.67 123.39 1sfs s ASP 203 Ca 0.12 0.10 0.05 0.00 -0.00 0.00 0.00 52.55 52.82 1sfs s ASP 203 Cb 0.07 -1.87 -0.02 0.00 -0.00 0.00 0.00 42.92 41.09 1sfs s ASP 203 CO -0.06 -0.05 -0.18 0.42 -0.00 0.00 0.00 175.17 175.30 1sfs s THR 204 N -1.94 2.73 0.10 -1.27 -4.23 -0.54 -1.89 115.64 108.60 1sfs s THR 204 Ca 0.34 -0.85 0.03 0.00 -1.18 0.00 0.00 61.69 60.03 1sfs s THR 204 Cb -0.09 -2.04 -0.04 0.00 1.34 0.00 0.00 72.50 71.67 1sfs s THR 204 CO 0.29 0.59 -0.08 0.20 -0.54 0.00 0.00 174.62 175.08 1sfs s ASN 205 N -0.64 1.27 0.15 3.99 0.01 0.16 -1.69 114.94 118.19 1sfs s ASN 205 Ca 0.10 -0.91 0.09 0.00 -0.71 0.00 0.00 52.86 51.43 1sfs s ASN 205 Cb -0.11 0.05 -0.04 0.00 0.41 0.00 0.00 41.25 41.57 1sfs s ASN 205 CO 0.00 -0.37 -0.19 -0.76 -1.51 0.00 0.00 177.10 174.27 1sfs s LEU 206 N -2.74 2.41 0.04 0.60 1.43 -0.24 -1.22 118.68 118.96 1sfs s LEU 206 Ca 0.08 -0.83 -0.00 0.00 -1.03 0.00 0.00 54.13 52.36 1sfs s LEU 206 Cb 0.01 -0.86 -0.03 0.00 0.03 0.00 0.00 46.19 45.34 1sfs s LEU 206 CO -0.02 -0.01 -0.03 0.00 0.23 0.00 0.00 176.35 176.52 1sfs s ALA 207 N -1.85 0.33 0.19 4.21 0.00 0.37 -0.50 121.76 124.52 1sfs s ALA 207 Ca 0.14 -0.86 -0.30 0.00 0.00 0.00 0.00 51.96 50.94 1sfs s ALA 207 Cb -0.07 0.19 -0.08 0.00 0.00 0.00 0.00 23.12 23.16 1sfs s ALA 207 CO 0.06 -0.23 1.20 0.34 0.00 0.00 0.00 175.76 177.13 1sfs s ASP 208 N -2.07 7.08 0.66 0.00 -1.08 -0.12 -1.08 116.67 120.06 1sfs s ASP 208 Ca -0.06 2.25 0.43 0.00 -0.52 0.00 0.00 52.55 54.64 1sfs s ASP 208 Cb -0.03 -2.61 2.33 0.00 -1.46 0.00 0.00 42.92 41.16 1sfs s ASP 208 CO -0.04 -0.37 2.35 -0.09 0.52 0.00 0.00 175.17 177.53 1sfs h ARG 209 N 5.20 0.00 -0.23 4.34 2.43 -1.96 -0.34 114.38 123.82 1sfs h ARG 209 Ca -0.45 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 58.79 1sfs h ARG 209 Cb 1.21 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 1sfs h ARG 209 CO 0.74 0.00 0.26 0.00 -1.51 0.00 0.00 179.97 179.46 1sfs h ARG 210 N 0.00 0.00 -0.77 0.20 3.08 -1.94 -1.92 114.38 113.04 1sfs h ARG 210 Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1sfs h ARG 210 Cb 0.02 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 1sfs h ARG 210 CO 0.00 0.00 0.32 1.25 -1.07 0.00 0.00 179.97 180.47 1sfs h LEU 211 N 0.00 1.03 -1.28 3.04 5.85 -1.35 -3.33 115.31 119.27 1sfs h LEU 211 Ca 0.11 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 1sfs h LEU 211 Cb 0.63 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1sfs h LEU 211 CO -0.00 0.90 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.74 1sfs h LEU 212 N 1.10 0.25 -0.28 2.25 3.38 -1.54 -0.43 115.31 120.04 1sfs h LEU 212 Ca 0.26 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1sfs h LEU 212 Cb 0.18 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1sfs h LEU 212 CO -0.03 0.46 0.00 0.47 0.09 0.00 0.00 178.44 179.43 1sfs n ASP 213 N -4.21 0.21 -1.00 -0.43 8.00 -1.25 -1.78 116.55 116.08 1sfs n ASP 213 Ca -0.01 0.56 0.08 0.00 0.71 0.00 0.00 54.79 56.14 1sfs n ASP 213 Cb 0.32 -0.60 0.24 0.00 -0.02 0.00 0.00 41.12 41.06 1sfs n ASP 213 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1sfs n PHE 214 N -1.74 0.78 -4.30 1.24 3.01 -0.17 -4.92 117.46 111.35 1sfs n PHE 214 Ca 0.02 -0.53 -0.24 0.00 1.01 0.00 0.00 57.45 57.71 1sfs n PHE 214 Cb 0.15 -0.06 -0.08 0.00 -0.01 0.00 0.00 39.48 39.49 1sfs n PHE 214 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1sfs s LEU 215 N -1.19 3.11 0.00 4.37 1.43 -0.73 -0.97 118.68 124.70 1sfs s LEU 215 Ca 0.36 -0.65 0.21 0.00 -1.03 0.00 0.00 54.13 53.02 1sfs s LEU 215 Cb 0.20 -1.67 0.17 0.00 0.03 0.00 0.00 46.19 44.92 1sfs s LEU 215 CO 0.22 0.03 1.17 0.00 0.23 0.00 0.00 176.35 178.00