#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t0t s THR 7 N 0.00 4.70 -0.12 5.09 -4.23 -1.26 -4.85 115.64 114.97 1t0t s THR 7 Ca 0.00 0.94 -0.11 0.00 -1.18 0.00 0.00 61.69 61.34 1t0t s THR 7 Cb 0.00 -3.67 -0.05 0.00 1.34 0.00 0.00 72.50 70.13 1t0t s THR 7 CO 0.00 -0.06 0.23 -0.76 -0.54 0.00 0.00 174.62 173.48 1t0t s LEU 8 N -2.69 4.34 -0.10 4.79 1.43 -0.18 -4.93 118.68 121.33 1t0t s LEU 8 Ca 0.50 0.53 -0.03 0.00 -1.03 0.00 0.00 54.13 54.09 1t0t s LEU 8 Cb -0.12 -2.25 -0.03 0.00 0.03 0.00 0.00 46.19 43.82 1t0t s LEU 8 CO 0.19 0.28 0.03 -1.81 0.23 0.00 0.00 176.35 175.27 1t0t s ASP 9 N -0.41 5.48 0.00 2.29 1.01 -1.26 -0.98 116.67 122.80 1t0t s ASP 9 Ca 0.16 0.20 0.00 0.00 0.71 0.00 0.00 52.55 53.61 1t0t s ASP 9 Cb -0.13 -1.64 0.00 0.00 1.01 0.00 0.00 42.92 42.16 1t0t s ASP 9 CO 0.05 0.36 0.00 0.61 0.21 0.00 0.00 175.17 176.40 1t0t n GLY 10 N 2.26 3.76 3.75 0.21 0.00 0.12 -5.01 105.19 110.28 1t0t n GLY 10 Ca -0.19 -1.68 -0.39 0.00 0.00 0.00 0.00 46.02 43.76 1t0t n GLY 10 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1t0t s TRP 11 N 4.24 2.32 0.68 1.61 0.51 -0.86 -4.56 118.94 122.88 1t0t s TRP 11 Ca 0.00 1.36 -0.13 0.00 -2.12 0.00 0.00 56.10 55.21 1t0t s TRP 11 Cb 0.00 -3.81 0.01 0.00 -0.81 0.00 0.00 33.47 28.86 1t0t s TRP 11 CO 0.00 -2.88 1.09 0.71 -0.51 0.00 0.00 176.95 175.36 1t0t s TYR 12 N -1.30 2.75 -0.04 -1.98 2.02 0.38 -0.39 117.35 118.79 1t0t s TYR 12 Ca 0.70 1.53 -0.02 0.00 -0.37 0.00 0.00 57.07 58.91 1t0t s TYR 12 Cb -0.41 -3.07 0.03 0.00 -0.40 0.00 0.00 41.96 38.12 1t0t s TYR 12 CO 0.49 -1.53 0.04 0.00 -1.57 0.00 0.00 175.55 172.98 1t0t s LEU 14 N 1.95 3.65 -0.31 0.00 2.96 -0.11 -1.24 118.68 125.59 1t0t s LEU 14 Ca 0.03 -0.02 -0.11 0.00 -0.22 0.00 0.00 54.13 53.80 1t0t s LEU 14 Cb -0.12 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.61 1t0t s LEU 14 CO -0.03 0.11 0.18 -1.00 -1.32 0.00 0.00 176.35 174.29 1t0t s HIS 15 N 0.75 3.20 -0.32 5.38 3.76 0.33 -0.44 115.29 127.94 1t0t s HIS 15 Ca 0.03 -0.31 0.01 0.00 -0.15 0.00 0.00 55.06 54.64 1t0t s HIS 15 Cb -0.13 -2.39 0.08 0.00 1.11 0.00 0.00 32.58 31.24 1t0t s HIS 15 CO 0.02 -0.36 0.02 0.34 -0.85 0.00 0.00 174.74 173.91 1t0t s ASP 16 N 1.68 4.82 -0.12 1.40 -1.08 0.09 -1.03 116.67 122.43 1t0t s ASP 16 Ca 0.06 -1.68 -0.06 0.00 -0.52 0.00 0.00 52.55 50.35 1t0t s ASP 16 Cb -0.17 -1.67 -0.04 0.00 -1.46 0.00 0.00 42.92 39.58 1t0t s ASP 16 CO 0.08 -0.33 0.11 -0.36 0.52 0.00 0.00 175.17 175.19 1t0t s PHE 17 N 1.10 3.48 0.13 -5.34 0.08 -0.02 -1.15 117.98 116.26 1t0t s PHE 17 Ca 0.01 0.42 0.04 0.00 0.12 0.00 0.00 56.93 57.52 1t0t s PHE 17 Cb -0.20 -1.93 -0.04 0.00 -0.57 0.00 0.00 43.02 40.28 1t0t s PHE 17 CO -0.04 0.62 -0.10 1.03 -0.10 0.00 0.00 175.22 176.63 1t0t s ARG 18 N -0.84 1.00 -0.07 0.44 1.81 0.09 -2.61 118.95 118.77 1t0t s ARG 18 Ca 0.14 -1.37 0.02 0.00 -1.72 0.00 0.00 55.73 52.79 1t0t s ARG 18 Cb -0.12 -0.60 -0.03 0.00 -0.45 0.00 0.00 34.95 33.76 1t0t s ARG 18 CO 0.03 0.08 -0.11 0.99 -0.68 0.00 0.00 175.30 175.61 1t0t s THR 19 N -3.07 3.37 -0.10 0.02 2.01 -0.32 -0.14 115.64 117.40 1t0t s THR 19 Ca 0.13 -0.60 -0.20 0.00 0.31 0.00 0.00 61.69 61.33 1t0t s THR 19 Cb 0.01 -2.36 -0.04 0.00 0.01 0.00 0.00 72.50 70.12 1t0t s THR 19 CO 0.00 0.58 0.58 -0.63 -0.69 0.00 0.00 174.62 174.46 1t0t s ILE 20 N -0.58 5.12 -1.23 1.82 1.01 -1.26 -0.73 121.20 125.35 1t0t s ILE 20 Ca 0.08 1.17 -0.14 0.00 0.00 0.00 0.00 60.65 61.76 1t0t s ILE 20 Cb -0.12 -3.92 0.16 0.00 0.01 0.00 0.00 42.46 38.59 1t0t s ILE 20 CO 0.02 0.28 1.50 -0.67 0.00 0.00 0.00 174.94 176.06 1t0t n ASP 21 N 3.81 5.18 -0.08 3.58 -0.08 -0.14 -4.83 116.55 124.00 1t0t n ASP 21 Ca -0.04 -2.97 -0.01 0.00 -1.51 0.00 0.00 54.79 50.25 1t0t n ASP 21 Cb 0.51 -1.59 0.25 0.00 2.34 0.00 0.00 41.12 42.64 1t0t n ASP 21 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 1t0t h TRP 22 N 7.13 0.71 -0.40 -0.67 4.06 -1.93 -1.86 115.95 122.99 1t0t h TRP 22 Ca 0.34 -0.05 -0.01 0.00 2.06 0.00 0.00 58.89 61.23 1t0t h TRP 22 Cb 0.86 -0.21 -0.02 0.00 -1.00 0.00 0.00 29.16 28.79 1t0t h TRP 22 CO 1.15 0.61 0.23 1.03 -3.56 0.00 0.00 178.44 177.89 1t0t h SER 23 N 0.68 0.49 -0.29 -3.49 0.87 -2.00 -1.07 113.55 108.75 1t0t h SER 23 Ca 0.15 -0.08 -0.17 0.00 -1.23 0.00 0.00 61.79 60.47 1t0t h SER 23 Cb 0.25 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1t0t h SER 23 CO -0.00 0.43 -0.45 0.00 -0.53 0.00 0.00 176.83 176.28 1t0t h ALA 24 N 1.09 0.58 -0.67 6.23 0.00 -1.90 -3.09 119.26 121.49 1t0t h ALA 24 Ca 0.14 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1t0t h ALA 24 Cb 0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1t0t h ALA 24 CO -0.02 0.68 0.43 2.35 0.00 0.00 0.00 179.25 182.69 1t0t h TRP 25 N 0.68 0.86 0.00 0.00 -0.00 -1.14 -1.23 115.95 115.12 1t0t h TRP 25 Ca 0.04 0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 58.94 1t0t h TRP 25 Cb 1.03 -0.29 -0.00 0.00 -0.00 0.00 0.00 29.16 29.91 1t0t h TRP 25 CO 0.06 0.56 -0.04 0.87 -0.00 0.00 0.00 178.44 179.89 1t0t h LYS 26 N 0.91 0.00 0.00 2.65 1.57 -1.14 -2.12 116.57 118.44 1t0t h LYS 26 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1t0t h LYS 26 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1t0t h LYS 26 CO -0.05 0.04 -0.27 0.25 -0.57 0.00 0.00 179.45 178.85 1t0t n THR 27 N -3.47 0.33 -2.51 -0.16 -2.24 -0.47 -4.82 114.28 100.94 1t0t n THR 27 Ca -0.02 -0.19 -0.41 0.00 -2.27 0.00 0.00 64.05 61.15 1t0t n THR 27 Cb 0.15 -0.31 -0.04 0.00 -2.10 0.00 0.00 70.33 68.03 1t0t n THR 27 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1t0t s LEU 28 N -3.96 4.44 0.67 3.22 2.96 -0.80 -4.98 118.68 120.23 1t0t s LEU 28 Ca 0.10 2.02 -0.17 0.00 -0.22 0.00 0.00 54.13 55.86 1t0t s LEU 28 Cb 0.15 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.21 1t0t s LEU 28 CO 0.64 -0.30 0.79 -2.65 -1.32 0.00 0.00 176.35 173.51 1t0t n PRO 29 N 3.02 0.55 -0.31 0.98 -0.02 -1.26 -4.68 135.00 133.29 1t0t n PRO 29 Ca 0.05 0.23 0.04 0.00 -2.02 0.00 0.00 63.50 61.80 1t0t n PRO 29 Cb 0.47 -2.03 0.23 0.00 -0.02 0.00 0.00 33.50 32.15 1t0t n PRO 29 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 1t0t h ASN 30 N -0.03 0.92 0.31 2.55 -1.24 -1.94 -0.33 115.58 115.82 1t0t h ASN 30 Ca -0.47 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 56.45 1t0t h ASN 30 Cb 1.36 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 40.20 1t0t h ASN 30 CO 0.47 0.60 -0.40 -0.33 -1.29 0.00 0.00 177.43 176.47 1t0t h GLU 31 N 1.05 0.13 0.10 6.67 3.07 -1.99 -0.35 114.58 123.25 1t0t h GLU 31 Ca 0.39 -0.06 -0.26 0.00 -0.50 0.00 0.00 59.36 58.93 1t0t h GLU 31 Cb 0.18 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 1t0t h GLU 31 CO -0.14 0.51 -1.16 0.93 -1.40 0.00 0.00 179.01 177.74 1t0t h GLU 32 N 0.11 0.30 -0.65 2.33 5.08 -1.45 -1.97 114.58 118.34 1t0t h GLU 32 Ca 0.01 -0.46 -0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1t0t h GLU 32 Cb 0.76 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.14 1t0t h GLU 32 CO 0.06 1.19 0.40 0.00 -1.00 0.00 0.00 179.01 179.66 1t0t h ARG 33 N 0.11 0.87 -0.65 2.33 3.08 -1.07 -0.47 114.38 118.59 1t0t h ARG 33 Ca -0.12 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.82 1t0t h ARG 33 Cb 1.87 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 31.70 1t0t h ARG 33 CO 0.19 0.61 0.24 0.93 -1.07 0.00 0.00 179.97 180.87 1t0t h GLU 34 N 0.88 0.96 -0.33 0.04 5.08 -0.99 -1.16 114.58 119.06 1t0t h GLU 34 Ca 0.23 -0.17 -0.16 0.00 -1.00 0.00 0.00 59.36 58.27 1t0t h GLU 34 Cb -0.05 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 1t0t h GLU 34 CO -0.05 0.80 -0.43 0.00 -1.00 0.00 0.00 179.01 178.33 1t0t h ALA 35 N 1.32 0.62 -0.70 3.43 0.00 -1.06 -1.30 119.26 121.57 1t0t h ALA 35 Ca 0.22 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 1t0t h ALA 35 Cb 0.21 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1t0t h ALA 35 CO -0.02 0.67 0.18 0.00 0.00 0.00 0.00 179.25 180.08 1t0t h ALA 36 N 0.84 0.98 -0.29 0.00 0.00 -0.75 0.35 119.26 120.39 1t0t h ALA 36 Ca 0.05 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1t0t h ALA 36 Cb 1.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1t0t h ALA 36 CO 0.10 0.66 0.02 0.82 0.00 0.00 0.00 179.25 180.85 1t0t h ILE 37 N 1.06 1.25 -0.37 0.00 2.04 -0.99 -1.13 117.51 119.36 1t0t h ILE 37 Ca 0.22 -0.87 0.06 0.00 1.00 0.00 0.00 64.86 65.26 1t0t h ILE 37 Cb 0.36 1.25 -0.05 0.00 -0.74 0.00 0.00 36.82 37.64 1t0t h ILE 37 CO 0.00 0.28 0.07 0.28 0.00 0.00 0.00 178.15 178.79 1t0t h SER 38 N 0.31 0.01 -0.68 1.72 0.02 -1.09 0.52 113.55 114.35 1t0t h SER 38 Ca 0.09 0.06 0.09 0.00 -0.84 0.00 0.00 61.79 61.19 1t0t h SER 38 Cb 0.39 0.08 -0.07 0.00 0.14 0.00 0.00 62.40 62.94 1t0t h SER 38 CO 0.01 0.04 0.31 -0.08 -1.14 0.00 0.00 176.83 175.98 1t0t h GLU 39 N 0.20 0.52 -0.41 3.45 4.81 -0.86 0.91 114.58 123.20 1t0t h GLU 39 Ca 0.18 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.32 1t0t h GLU 39 Cb 0.21 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1t0t h GLU 39 CO -0.23 0.35 0.04 0.35 -0.73 0.00 0.00 179.01 178.78 1t0t h PHE 40 N 0.54 0.76 -0.46 0.92 3.57 -0.81 -1.08 116.94 120.39 1t0t h PHE 40 Ca 0.33 -0.12 -0.03 0.00 3.53 0.00 0.00 57.97 61.69 1t0t h PHE 40 Cb 0.37 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 1t0t h PHE 40 CO -0.12 0.75 0.16 -0.07 -2.23 0.00 0.00 178.31 176.80 1t0t h LEU 41 N 0.55 0.60 -0.63 0.59 3.38 -0.61 -0.84 115.31 118.35 1t0t h LEU 41 Ca 0.12 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 1t0t h LEU 41 Cb 0.43 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1t0t h LEU 41 CO 0.01 0.56 -0.20 0.00 0.09 0.00 0.00 178.44 178.90 1t0t h ALA 42 N 1.53 0.82 0.20 1.53 0.00 -0.59 -1.43 119.26 121.32 1t0t h ALA 42 Ca 0.16 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1t0t h ALA 42 Cb 0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1t0t h ALA 42 CO -0.01 0.65 -0.14 1.25 0.00 0.00 0.00 179.25 181.00 1t0t h LEU 43 N 0.75 -0.35 -1.92 0.00 5.85 -0.15 -2.96 115.31 116.53 1t0t h LEU 43 Ca 0.11 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1t0t h LEU 43 Cb 0.74 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 1t0t h LEU 43 CO 0.06 -0.22 -0.12 0.58 -0.34 0.00 0.00 178.44 178.40 1t0t h VAL 44 N -0.34 0.78 -0.59 1.05 2.07 -1.02 -1.80 116.25 116.40 1t0t h VAL 44 Ca -0.01 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 1t0t h VAL 44 Cb 0.29 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1t0t h VAL 44 CO 0.01 0.11 0.28 -0.78 0.02 0.00 0.00 177.57 177.21 1t0t h ASP 45 N 0.00 0.74 -0.70 0.57 3.58 -1.17 0.24 116.42 119.68 1t0t h ASP 45 Ca -0.00 -0.07 -0.04 0.00 0.42 0.00 0.00 57.03 57.34 1t0t h ASP 45 Cb 0.26 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.09 1t0t h ASP 45 CO 0.02 0.63 0.27 1.56 -2.88 0.00 0.00 179.24 178.83 1t0t h GLN 46 N 0.82 1.05 -0.76 0.28 4.20 -1.18 -0.99 115.11 118.54 1t0t h GLN 46 Ca 0.20 -0.20 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 1t0t h GLN 46 Cb 0.08 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.66 1t0t h GLN 46 CO -0.03 0.88 0.28 -1.49 -0.67 0.00 0.00 178.83 177.80 1t0t h TRP 47 N 1.00 1.17 -0.80 2.96 6.55 -0.87 -1.66 115.95 124.31 1t0t h TRP 47 Ca 0.23 -0.10 -0.03 0.00 0.95 0.00 0.00 58.89 59.94 1t0t h TRP 47 Cb 0.22 -0.35 -0.04 0.00 -0.86 0.00 0.00 29.16 28.14 1t0t h TRP 47 CO 0.02 0.90 0.36 0.93 -1.05 0.00 0.00 178.44 179.60 1t0t h GLU 48 N 1.11 1.16 -0.08 0.49 5.08 -0.31 -1.53 114.58 120.51 1t0t h GLU 48 Ca 0.25 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1t0t h GLU 48 Cb 0.24 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1t0t h GLU 48 CO -0.02 0.91 0.05 1.15 -1.00 0.00 0.00 179.01 180.11 1t0t h THR 49 N 1.14 1.03 -0.68 1.13 2.02 -0.94 -1.06 112.91 115.54 1t0t h THR 49 Ca 0.27 -0.06 0.09 0.00 0.77 0.00 0.00 66.41 67.48 1t0t h THR 49 Cb 0.15 0.93 -0.07 0.00 -1.74 0.00 0.00 68.15 67.42 1t0t h THR 49 CO -0.03 0.03 0.33 0.74 0.37 0.00 0.00 175.52 176.95 1t0t h THR 50 N 0.10 0.85 -0.54 3.16 2.02 -1.04 0.56 112.91 118.01 1t0t h THR 50 Ca 0.03 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 1t0t h THR 50 Cb -0.00 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 66.62 1t0t h THR 50 CO -0.01 0.10 0.27 -0.08 0.37 0.00 0.00 175.52 176.18 1t0t h GLU 51 N 0.57 0.77 0.00 6.66 4.81 -0.99 -0.80 114.58 125.60 1t0t h GLU 51 Ca 0.33 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.42 1t0t h GLU 51 Cb 0.34 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1t0t h GLU 51 CO -0.26 0.62 -0.17 0.66 -0.73 0.00 0.00 179.01 179.13 1t0t h SER 52 N 0.72 0.00 -0.04 1.04 4.64 -0.02 0.74 113.55 120.62 1t0t h SER 52 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1t0t h SER 52 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1t0t h SER 52 CO -0.03 0.17 0.00 -0.62 -0.87 0.00 0.00 176.83 175.48 1t0t n GLU 53 N -3.88 1.37 -2.58 4.77 1.02 0.07 -4.91 120.64 116.50 1t0t n GLU 53 Ca -0.02 -0.54 -0.17 0.00 -0.02 0.00 0.00 57.16 56.41 1t0t n GLU 53 Cb 0.26 -1.43 0.01 0.00 -0.02 0.00 0.00 31.44 30.26 1t0t n GLU 53 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1t0t n LYS 54 N -0.31 -2.57 -0.17 3.49 4.76 0.25 -4.89 118.16 118.73 1t0t n LYS 54 Ca 0.19 0.76 0.05 0.00 -2.87 0.00 0.00 58.31 56.43 1t0t n LYS 54 Cb 0.22 -5.19 0.14 0.00 -1.84 0.00 0.00 35.03 28.36 1t0t n LYS 54 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1t0t n GLN 55 N -2.94 2.88 -3.38 1.97 1.13 -0.35 -5.02 117.38 111.65 1t0t n GLN 55 Ca -0.14 -2.03 0.00 0.00 -1.94 0.00 0.00 57.00 52.89 1t0t n GLN 55 Cb 0.62 -1.27 0.00 0.00 0.11 0.00 0.00 30.24 29.70 1t0t n GLN 55 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1t0t n GLY 56 N 0.23 -1.53 3.56 1.08 0.00 -1.23 -4.45 105.19 102.86 1t0t n GLY 56 Ca 0.10 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.98 1t0t n GLY 56 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1t0t s SER 57 N -2.16 -0.47 0.18 1.61 0.15 -0.63 -3.93 113.70 108.44 1t0t s SER 57 Ca 0.00 -0.20 -0.17 0.00 0.70 0.00 0.00 55.95 56.28 1t0t s SER 57 Cb 0.00 0.64 0.03 0.00 -1.71 0.00 0.00 66.02 64.98 1t0t s SER 57 CO 0.00 -1.09 0.49 -1.38 1.20 0.00 0.00 173.24 172.45 1t0t s HIS 58 N -3.81 -0.10 -0.08 3.44 -3.43 -1.26 -0.74 115.29 109.31 1t0t s HIS 58 Ca 0.04 -0.23 -0.14 0.00 -0.80 0.00 0.00 55.06 53.93 1t0t s HIS 58 Cb -0.03 0.34 0.03 0.00 -1.43 0.00 0.00 32.58 31.49 1t0t s HIS 58 CO -0.06 -0.86 0.34 0.00 -2.00 0.00 0.00 174.74 172.15 1t0t s ALA 59 N -3.87 -0.85 -0.11 -1.38 0.00 0.07 -4.75 121.76 110.88 1t0t s ALA 59 Ca 0.09 0.72 -0.01 0.00 0.00 0.00 0.00 51.96 52.76 1t0t s ALA 59 Cb -0.00 -0.30 0.03 0.00 0.00 0.00 0.00 23.12 22.85 1t0t s ALA 59 CO -0.04 -0.21 -0.04 0.08 0.00 0.00 0.00 175.76 175.55 1t0t s VAL 60 N -0.47 0.76 0.01 0.00 1.01 -1.26 -0.70 120.40 119.74 1t0t s VAL 60 Ca -0.06 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 61.78 1t0t s VAL 60 Cb -0.04 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 1t0t s VAL 60 CO 0.02 0.27 -0.09 -0.31 0.00 0.00 0.00 175.10 174.99 1t0t s TYR 61 N 1.81 0.83 0.06 5.22 2.02 -0.76 -1.63 117.35 124.90 1t0t s TYR 61 Ca 0.04 -0.22 -0.22 0.00 -0.37 0.00 0.00 57.07 56.30 1t0t s TYR 61 Cb -0.13 -0.52 -0.06 0.00 -0.40 0.00 0.00 41.96 40.85 1t0t s TYR 61 CO -0.07 -0.01 0.68 0.95 -1.57 0.00 0.00 175.55 175.52 1t0t s THR 62 N -0.43 4.71 -0.15 -0.71 -4.23 0.54 -0.29 115.64 115.09 1t0t s THR 62 Ca 0.02 1.44 -0.06 0.00 -1.18 0.00 0.00 61.69 61.91 1t0t s THR 62 Cb -0.05 -4.02 -0.04 0.00 1.34 0.00 0.00 72.50 69.73 1t0t s THR 62 CO -0.00 0.45 0.08 -0.63 -0.54 0.00 0.00 174.62 173.98 1t0t s ILE 63 N -0.54 4.95 0.08 2.99 -1.09 0.13 -0.65 121.20 127.07 1t0t s ILE 63 Ca 0.34 0.01 -0.21 0.00 -2.23 0.00 0.00 60.65 58.56 1t0t s ILE 63 Cb -0.20 -3.18 -0.07 0.00 -1.58 0.00 0.00 42.46 37.43 1t0t s ILE 63 CO 0.21 0.53 0.62 -0.69 -1.23 0.00 0.00 174.94 174.38 1t0t s VAL 64 N -0.28 4.70 0.00 2.92 1.01 -0.60 -4.31 120.40 123.83 1t0t s VAL 64 Ca 0.09 1.32 0.00 0.00 0.00 0.00 0.00 61.98 63.39 1t0t s VAL 64 Cb -0.12 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.31 1t0t s VAL 64 CO 0.01 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1t0t n GLY 65 N 1.83 -2.96 0.53 4.51 0.00 -1.26 -4.66 105.19 103.18 1t0t n GLY 65 Ca -0.09 -2.05 0.12 0.00 0.00 0.00 0.00 46.02 44.00 1t0t n GLY 65 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1t0t n GLN 66 N -0.03 1.43 0.07 1.61 6.02 -1.26 -4.15 117.38 121.06 1t0t n GLN 66 Ca 0.00 -1.07 -0.01 0.00 -0.01 0.00 0.00 57.00 55.91 1t0t n GLN 66 Cb 0.00 -1.48 0.27 0.00 1.02 0.00 0.00 30.24 30.05 1t0t n GLN 66 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1t0t h LYS 67 N 2.61 0.34 -2.63 -1.09 1.57 -1.95 -3.46 116.57 111.96 1t0t h LYS 67 Ca 0.00 -0.12 0.13 0.00 -1.87 0.00 0.00 60.65 58.79 1t0t h LYS 67 Cb 0.71 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.93 1t0t h LYS 67 CO 0.00 0.57 0.39 0.00 -0.57 0.00 0.00 179.45 179.84 1t0t s ALA 68 N -4.50 -1.43 -0.08 3.86 0.00 -1.26 -4.65 121.76 113.71 1t0t s ALA 68 Ca -0.06 -0.13 0.08 0.00 0.00 0.00 0.00 51.96 51.85 1t0t s ALA 68 Cb 0.14 0.72 -0.11 0.00 0.00 0.00 0.00 23.12 23.88 1t0t s ALA 68 CO 0.77 -1.04 0.05 -0.25 0.00 0.00 0.00 175.76 175.28 1t0t n ASP 69 N -0.61 2.90 -3.76 0.00 8.00 0.80 -4.43 116.55 119.44 1t0t n ASP 69 Ca -0.05 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.32 1t0t n ASP 69 Cb 0.60 0.78 -0.11 0.00 -0.02 0.00 0.00 41.12 42.37 1t0t n ASP 69 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1t0t s ILE 70 N -2.25 -0.00 -0.10 0.53 2.07 -0.87 -0.69 121.20 119.89 1t0t s ILE 70 Ca -0.04 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.24 1t0t s ILE 70 Cb 0.03 -0.45 0.00 0.00 0.13 0.00 0.00 42.46 42.18 1t0t s ILE 70 CO 0.35 0.00 -0.23 -0.22 -1.91 0.00 0.00 174.94 172.94 1t0t s LEU 71 N 0.18 2.05 -0.33 8.50 2.96 0.60 -0.73 118.68 131.91 1t0t s LEU 71 Ca -0.00 -0.54 -0.07 0.00 -0.22 0.00 0.00 54.13 53.30 1t0t s LEU 71 Cb -0.02 -1.36 0.03 0.00 0.50 0.00 0.00 46.19 45.34 1t0t s LEU 71 CO 0.00 0.14 0.11 -0.36 -1.32 0.00 0.00 176.35 174.92 1t0t s PHE 72 N 0.41 3.23 -0.25 5.38 0.08 -0.30 -1.83 117.98 124.70 1t0t s PHE 72 Ca -0.18 -1.29 -0.08 0.00 0.12 0.00 0.00 56.93 55.50 1t0t s PHE 72 Cb -0.18 -2.29 -0.03 0.00 -0.57 0.00 0.00 43.02 39.95 1t0t s PHE 72 CO 0.08 -0.69 0.09 1.41 -0.10 0.00 0.00 175.22 176.01 1t0t s MET 73 N 1.44 3.74 -0.13 0.44 -2.45 0.12 -0.73 119.30 121.74 1t0t s MET 73 Ca -0.00 -0.43 0.02 0.00 -1.25 0.00 0.00 55.69 54.02 1t0t s MET 73 Cb -0.19 -3.38 0.01 0.00 1.25 0.00 0.00 34.83 32.52 1t0t s MET 73 CO 0.03 -0.15 -0.19 0.42 1.05 0.00 0.00 175.02 176.19 1t0t s ILE 74 N 1.53 1.81 -0.15 10.11 -1.09 0.42 -0.75 121.20 133.09 1t0t s ILE 74 Ca 0.06 -0.83 -0.02 0.00 -2.23 0.00 0.00 60.65 57.63 1t0t s ILE 74 Cb -0.15 -1.62 -0.02 0.00 -1.58 0.00 0.00 42.46 39.08 1t0t s ILE 74 CO 0.05 0.50 -0.07 -0.76 -1.23 0.00 0.00 174.94 173.43 1t0t s LEU 75 N 0.91 3.06 0.07 2.97 1.43 0.08 -0.93 118.68 126.26 1t0t s LEU 75 Ca -0.06 -0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 52.82 1t0t s LEU 75 Cb -0.15 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 1t0t s LEU 75 CO -0.02 0.17 0.00 -0.13 0.23 0.00 0.00 176.35 176.60 1t0t s ARG 76 N 0.36 0.71 0.48 1.70 1.81 -0.56 -1.61 118.95 121.84 1t0t s ARG 76 Ca -0.07 -1.27 0.27 0.00 -1.72 0.00 0.00 55.73 52.94 1t0t s ARG 76 Cb -0.15 0.22 1.08 0.00 -0.45 0.00 0.00 34.95 35.66 1t0t s ARG 76 CO 0.04 -0.16 1.89 -1.35 -0.68 0.00 0.00 175.30 175.04 1t0t h PRO 77 N 3.05 0.00 -5.04 3.54 0.11 -1.87 0.11 132.00 131.90 1t0t h PRO 77 Ca -0.34 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.44 1t0t h PRO 77 Cb 1.16 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.11 1t0t h PRO 77 CO 0.64 0.15 -0.72 0.95 -0.21 0.00 0.00 178.00 178.80 1t0t s THR 78 N -3.68 1.10 0.40 -1.15 -4.23 -1.26 -4.65 115.64 102.17 1t0t s THR 78 Ca 0.01 -1.95 0.13 0.00 -1.18 0.00 0.00 61.69 58.70 1t0t s THR 78 Cb 0.10 -1.72 0.12 0.00 1.34 0.00 0.00 72.50 72.34 1t0t s THR 78 CO 0.60 -0.70 1.88 0.25 -0.54 0.00 0.00 174.62 176.12 1t0t h LEU 79 N 3.00 0.00 -0.61 4.79 5.85 -1.97 -2.80 115.31 123.56 1t0t h LEU 79 Ca -0.37 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.30 1t0t h LEU 79 Cb 1.19 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 1t0t h LEU 79 CO 0.61 0.31 0.18 0.44 -0.34 0.00 0.00 178.44 179.63 1t0t h ASP 80 N 0.00 0.91 -0.51 1.25 3.32 -1.99 -1.74 116.42 117.66 1t0t h ASP 80 Ca -0.00 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 56.80 1t0t h ASP 80 Cb 0.55 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 1t0t h ASP 80 CO 0.04 0.88 0.23 -0.33 -1.72 0.00 0.00 179.24 178.35 1t0t h GLU 81 N 0.88 0.79 -0.32 3.56 5.08 -1.91 -0.09 114.58 122.57 1t0t h GLU 81 Ca 0.20 -0.11 0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1t0t h GLU 81 Cb 0.31 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1t0t h GLU 81 CO -0.00 0.64 0.18 -0.07 -1.00 0.00 0.00 179.01 178.75 1t0t h LEU 82 N 0.78 0.28 -0.53 1.33 3.38 -1.27 -0.95 115.31 118.33 1t0t h LEU 82 Ca 0.19 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.23 1t0t h LEU 82 Cb 0.14 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 1t0t h LEU 82 CO -0.02 0.21 0.23 -0.74 0.09 0.00 0.00 178.44 178.21 1t0t h HIS 83 N 0.37 0.42 -0.38 1.13 2.76 -0.96 -1.25 115.15 117.23 1t0t h HIS 83 Ca 0.13 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.31 1t0t h HIS 83 Cb 0.02 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 28.85 1t0t h HIS 83 CO -0.08 0.17 0.19 0.93 -1.30 0.00 0.00 177.93 177.83 1t0t h GLU 84 N 0.44 0.55 -0.37 5.26 5.08 -0.73 -1.15 114.58 123.66 1t0t h GLU 84 Ca 0.25 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 1t0t h GLU 84 Cb 0.22 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1t0t h GLU 84 CO -0.21 0.48 0.15 0.82 -1.00 0.00 0.00 179.01 179.24 1t0t h ILE 85 N 0.48 1.19 -0.29 3.13 1.08 -1.01 0.03 117.51 122.12 1t0t h ILE 85 Ca 0.13 -0.60 0.01 0.00 -0.39 0.00 0.00 64.86 64.02 1t0t h ILE 85 Cb 0.11 0.89 -0.02 0.00 -3.07 0.00 0.00 36.82 34.73 1t0t h ILE 85 CO -0.02 0.21 0.17 -0.08 -0.69 0.00 0.00 178.15 177.74 1t0t h GLU 86 N 0.45 0.33 -0.21 2.37 4.81 -1.08 -0.12 114.58 121.14 1t0t h GLU 86 Ca 0.12 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1t0t h GLU 86 Cb 0.19 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1t0t h GLU 86 CO -0.01 0.22 0.13 1.15 -0.73 0.00 0.00 179.01 179.77 1t0t h THR 87 N 0.34 1.07 -0.86 0.32 2.02 -1.06 -1.14 112.91 113.60 1t0t h THR 87 Ca 0.12 -0.15 0.01 0.00 0.77 0.00 0.00 66.41 67.15 1t0t h THR 87 Cb 0.00 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 1t0t h THR 87 CO -0.06 0.07 0.57 0.00 0.37 0.00 0.00 175.52 176.47 1t0t h ALA 88 N 1.06 1.39 -0.08 6.16 0.00 -0.81 -0.51 119.26 126.46 1t0t h ALA 88 Ca 0.08 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1t0t h ALA 88 Cb -0.01 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.43 1t0t h ALA 88 CO -0.02 0.57 0.04 1.25 0.00 0.00 0.00 179.25 181.09 1t0t h LEU 89 N 1.16 0.11 -2.03 0.00 5.85 -0.77 -2.56 115.31 117.07 1t0t h LEU 89 Ca 0.31 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 1t0t h LEU 89 Cb -0.13 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 1t0t h LEU 89 CO -0.07 0.22 -0.09 0.78 -0.34 0.00 0.00 178.44 178.94 1t0t h ASN 90 N -0.01 0.00 0.76 1.25 2.35 -0.68 -1.45 115.58 117.80 1t0t h ASN 90 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1t0t h ASN 90 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1t0t h ASN 90 CO -0.00 0.09 -0.20 0.29 -1.65 0.00 0.00 177.43 175.96 1t0t n LYS 91 N -3.62 0.06 -1.50 0.81 5.02 -0.25 -4.66 118.16 114.02 1t0t n LYS 91 Ca -0.02 -0.02 -0.33 0.00 -2.02 0.00 0.00 58.31 55.92 1t0t n LYS 91 Cb 0.21 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.80 1t0t n LYS 91 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1t0t s THR 92 N -2.95 2.90 0.13 -0.18 -4.23 -0.54 -4.97 115.64 105.79 1t0t s THR 92 Ca 0.14 0.39 -0.14 0.00 -1.18 0.00 0.00 61.69 60.91 1t0t s THR 92 Cb 0.19 -2.88 -0.02 0.00 1.34 0.00 0.00 72.50 71.13 1t0t s THR 92 CO 0.59 -0.28 1.55 0.50 -0.54 0.00 0.00 174.62 176.43 1t0t h LYS 93 N -0.40 0.78 -0.78 3.99 1.63 -1.88 -2.91 116.57 117.01 1t0t h LYS 93 Ca -0.46 -0.28 0.10 0.00 -0.85 0.00 0.00 60.65 59.16 1t0t h LYS 93 Cb 1.26 -0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 32.78 1t0t h LYS 93 CO 0.51 0.89 0.51 1.25 -3.45 0.00 0.00 179.45 179.17 1t0t h LEU 94 N 0.61 0.61 -1.60 5.20 5.85 -1.91 -2.13 115.31 121.93 1t0t h LEU 94 Ca 0.11 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1t0t h LEU 94 Cb 0.58 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1t0t h LEU 94 CO 0.03 0.35 0.00 0.00 -0.34 0.00 0.00 178.44 178.49 1t0t h ALA 95 N 1.61 1.00 0.00 1.25 0.00 -1.73 -1.23 119.26 120.16 1t0t h ALA 95 Ca 0.36 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 1t0t h ALA 95 Cb 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1t0t h ALA 95 CO -0.14 0.00 -0.02 -0.44 0.00 0.00 0.00 179.25 178.66 1t0t h ASP 96 N 0.00 0.00 -0.18 0.00 3.32 -1.47 -1.77 116.42 116.32 1t0t h ASP 96 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1t0t h ASP 96 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1t0t h ASP 96 CO 0.00 0.02 0.00 -1.22 -1.72 0.00 0.00 179.24 176.32 1t0t n TYR 97 N -3.64 0.21 -3.54 4.55 4.01 -0.47 -4.74 117.16 113.53 1t0t n TYR 97 Ca -0.03 -0.11 -0.41 0.00 -0.16 0.00 0.00 57.90 57.19 1t0t n TYR 97 Cb 0.10 -0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.07 1t0t n TYR 97 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1t0t s LEU 98 N -1.63 5.89 0.64 7.72 1.43 -0.67 -0.96 118.68 131.11 1t0t s LEU 98 Ca 0.30 -3.00 -0.12 0.00 -1.03 0.00 0.00 54.13 50.29 1t0t s LEU 98 Cb 0.19 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.38 1t0t s LEU 98 CO 0.28 -0.40 1.04 -0.76 0.23 0.00 0.00 176.35 176.74 1t0t s LEU 99 N -0.28 3.23 0.46 1.79 1.43 0.09 -4.80 118.68 120.61 1t0t s LEU 99 Ca 0.20 1.54 -0.25 0.00 -1.03 0.00 0.00 54.13 54.60 1t0t s LEU 99 Cb -0.14 -4.49 -0.08 0.00 0.03 0.00 0.00 46.19 41.52 1t0t s LEU 99 CO -0.07 -1.12 1.39 -2.84 0.23 0.00 0.00 176.35 173.94 1t0t s PRO 100 N -4.97 3.62 0.09 1.29 0.02 -1.26 -1.17 135.00 132.61 1t0t s PRO 100 Ca 0.57 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.93 1t0t s PRO 100 Cb -0.13 -2.59 0.00 0.00 0.02 0.00 0.00 34.50 31.81 1t0t s PRO 100 CO 0.52 -0.84 0.00 0.00 -0.33 0.00 0.00 177.00 176.35 1t0t n ALA 101 N -0.32 3.00 -3.54 -1.55 0.00 -1.07 -4.45 120.51 112.58 1t0t n ALA 101 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.43 1t0t n ALA 101 Cb 0.43 0.03 -0.02 0.00 0.00 0.00 0.00 19.45 19.89 1t0t n ALA 101 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1t0t s TYR 102 N -2.00 -0.28 0.09 0.00 5.04 -1.15 -5.00 117.35 114.05 1t0t s TYR 102 Ca 0.00 0.16 -0.15 0.00 -2.44 0.00 0.00 57.07 54.64 1t0t s TYR 102 Cb 0.00 0.54 0.03 0.00 0.35 0.00 0.00 41.96 42.88 1t0t s TYR 102 CO 0.00 -0.47 0.37 -1.54 -1.34 0.00 0.00 175.55 172.57 1t0t s SER 103 N -2.44 -0.20 -0.13 4.32 1.04 -1.26 -0.84 113.70 114.20 1t0t s SER 103 Ca 0.06 -0.27 -0.08 0.00 0.48 0.00 0.00 55.95 56.14 1t0t s SER 103 Cb -0.01 0.44 0.04 0.00 0.10 0.00 0.00 66.02 66.59 1t0t s SER 103 CO -0.07 -0.77 0.32 -0.47 0.98 0.00 0.00 173.24 173.22 1t0t s TYR 104 N -3.39 -0.41 -0.14 5.02 5.04 -0.20 -4.96 117.35 118.31 1t0t s TYR 104 Ca 0.01 0.94 0.02 0.00 -2.44 0.00 0.00 57.07 55.60 1t0t s TYR 104 Cb 0.01 0.13 0.01 0.00 0.35 0.00 0.00 41.96 42.46 1t0t s TYR 104 CO -0.09 -0.24 -0.21 0.08 -1.34 0.00 0.00 175.55 173.75 1t0t s VAL 105 N 0.89 2.14 0.29 3.14 1.01 -1.26 -0.51 120.40 126.10 1t0t s VAL 105 Ca -0.06 -0.96 -0.08 0.00 0.00 0.00 0.00 61.98 60.88 1t0t s VAL 105 Cb -0.07 -1.86 0.03 0.00 0.00 0.00 0.00 36.38 34.49 1t0t s VAL 105 CO -0.06 0.55 0.52 -1.54 0.00 0.00 0.00 175.10 174.56 1t0t n SER 106 N 3.99 -1.50 -3.81 3.32 3.41 -0.37 -4.16 113.62 114.50 1t0t n SER 106 Ca -0.20 -2.29 -0.16 0.00 -0.26 0.00 0.00 58.87 55.97 1t0t n SER 106 Cb 0.52 2.57 -0.16 0.00 -0.26 0.00 0.00 64.21 66.88 1t0t n SER 106 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1t0t s VAL 107 N -2.46 0.08 0.07 -3.33 0.11 -0.19 0.14 120.40 114.83 1t0t s VAL 107 Ca 0.15 0.11 -0.34 0.00 -2.93 0.00 0.00 61.98 58.97 1t0t s VAL 107 Cb -0.03 -0.18 -0.13 0.00 -1.53 0.00 0.00 36.38 34.51 1t0t s VAL 107 CO 0.11 0.11 1.66 0.52 -3.33 0.00 0.00 175.10 174.17 1t0t n VAL 108 N 3.99 0.18 -4.45 2.04 0.31 0.47 -0.23 118.33 120.64 1t0t n VAL 108 Ca -0.25 -0.03 -0.22 0.00 -0.01 0.00 0.00 64.34 63.83 1t0t n VAL 108 Cb 0.51 -1.60 -0.16 0.00 -0.91 0.00 0.00 33.84 31.69 1t0t n VAL 108 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1t0t s GLU 109 N 1.88 1.14 -0.14 5.55 2.12 -1.07 0.12 118.70 128.30 1t0t s GLU 109 Ca 0.84 -0.34 0.01 0.00 0.36 0.00 0.00 54.97 55.84 1t0t s GLU 109 Cb -0.70 -1.04 0.02 0.00 0.26 0.00 0.00 34.13 32.67 1t0t s GLU 109 CO 0.43 0.10 -0.16 -0.51 -0.54 0.00 0.00 175.26 174.58 1t0t s LEU 110 N 0.29 1.79 -0.23 2.70 1.02 -0.15 -4.77 118.68 119.32 1t0t s LEU 110 Ca -0.05 -0.50 0.08 0.00 0.02 0.00 0.00 54.13 53.68 1t0t s LEU 110 Cb -0.10 -1.21 -0.20 0.00 0.02 0.00 0.00 46.19 44.70 1t0t s LEU 110 CO 0.01 -0.01 -0.10 -1.20 0.02 0.00 0.00 176.35 175.07 1t0t n SER 111 N 4.46 1.23 -4.48 2.29 7.64 -1.26 -1.01 113.62 122.50 1t0t n SER 111 Ca -0.18 -0.08 -0.43 0.00 1.01 0.00 0.00 58.87 59.18 1t0t n SER 111 Cb 0.51 0.12 -0.06 0.00 -1.01 0.00 0.00 64.21 63.77 1t0t n SER 111 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1t0t s ASN 112 N -6.14 6.27 0.02 6.43 0.02 -1.26 -4.93 114.94 115.34 1t0t s ASN 112 Ca -0.25 -0.69 -0.24 0.00 -1.02 0.00 0.00 52.86 50.65 1t0t s ASN 112 Cb 0.08 -2.34 0.06 0.00 0.02 0.00 0.00 41.25 39.06 1t0t s ASN 112 CO 0.69 -1.00 0.56 -0.72 0.02 0.00 0.00 177.10 176.65 1t0t s TYR 113 N 3.08 -0.48 -0.49 2.20 -0.85 -1.26 -5.11 117.35 114.44 1t0t s TYR 113 Ca 0.21 0.65 -0.29 0.00 -0.52 0.00 0.00 57.07 57.12 1t0t s TYR 113 Cb -0.17 0.35 0.03 0.00 0.38 0.00 0.00 41.96 42.56 1t0t s TYR 113 CO 0.15 -0.62 1.15 -1.17 -1.52 0.00 0.00 175.55 173.53 1t0t s LEU 114 N -1.71 3.61 -0.24 -3.49 2.96 -1.26 -4.98 118.68 113.57 1t0t s LEU 114 Ca -0.07 0.43 -0.15 0.00 -0.22 0.00 0.00 54.13 54.11 1t0t s LEU 114 Cb -0.01 -3.51 -0.04 0.00 0.50 0.00 0.00 46.19 43.13 1t0t s LEU 114 CO 0.02 -1.29 0.37 0.00 -1.32 0.00 0.00 176.35 174.13 1t0t s ALA 115 N 4.53 3.57 -0.20 5.97 0.00 -1.26 -4.94 121.76 129.43 1t0t s ALA 115 Ca 0.48 -0.68 0.06 0.00 0.00 0.00 0.00 51.96 51.81 1t0t s ALA 115 Cb -0.07 -2.65 -0.16 0.00 0.00 0.00 0.00 23.12 20.24 1t0t s ALA 115 CO 0.31 -0.46 -0.11 -1.13 0.00 0.00 0.00 175.76 174.38 1t0t n SER 116 N 4.86 1.84 0.00 0.00 3.41 -1.26 -4.99 113.62 117.47 1t0t n SER 116 Ca -0.09 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 1t0t n SER 116 Cb 0.51 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 1t0t n SER 116 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1t0t n GLY 117 N 2.30 3.32 0.99 5.00 0.00 -1.26 -4.91 105.19 110.64 1t0t n GLY 117 Ca -0.34 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.79 1t0t n GLY 117 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1t0t n SER 118 N 0.01 2.97 -4.02 1.61 3.41 -1.26 -4.88 113.62 111.47 1t0t n SER 118 Ca 0.00 -1.92 -0.08 0.00 -0.26 0.00 0.00 58.87 56.60 1t0t n SER 118 Cb 0.00 -0.22 -0.11 0.00 -0.26 0.00 0.00 64.21 63.63 1t0t n SER 118 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1t0t s GLU 119 N -1.56 0.41 -0.43 4.33 2.02 -1.26 -5.10 118.70 117.10 1t0t s GLU 119 Ca 0.37 -0.81 -0.28 0.00 0.02 0.00 0.00 54.97 54.27 1t0t s GLU 119 Cb 0.21 0.14 0.02 0.00 0.10 0.00 0.00 34.13 34.61 1t0t s GLU 119 CO 0.30 -0.07 1.06 0.34 0.02 0.00 0.00 175.26 176.91 1t0t s ASP 120 N -1.94 6.67 0.57 -0.19 -1.08 -1.26 -4.90 116.67 114.53 1t0t s ASP 120 Ca -0.08 0.52 0.31 0.00 -0.52 0.00 0.00 52.55 52.77 1t0t s ASP 120 Cb -0.04 -2.52 1.72 0.00 -1.46 0.00 0.00 42.92 40.62 1t0t s ASP 120 CO -0.04 -1.09 2.18 1.55 0.52 0.00 0.00 175.17 178.29 1t0t h PRO 121 N 8.89 0.00 0.00 4.34 0.13 -1.98 -0.31 132.00 143.06 1t0t h PRO 121 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1t0t h PRO 121 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1t0t h PRO 121 CO 1.07 0.05 0.00 0.66 -0.23 0.00 0.00 178.00 179.55 1t0t n TYR 122 N -3.63 0.80 0.86 1.56 4.01 -1.26 -1.88 117.16 117.62 1t0t n TYR 122 Ca -0.02 0.35 0.10 0.00 -0.16 0.00 0.00 57.90 58.17 1t0t n TYR 122 Cb 0.16 -1.07 0.04 0.00 -0.31 0.00 0.00 39.34 38.17 1t0t n TYR 122 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1t0t n GLN 123 N -2.27 1.67 -3.11 -0.72 1.13 -0.13 -4.71 117.38 109.25 1t0t n GLN 123 Ca 0.01 -1.36 -0.40 0.00 -1.94 0.00 0.00 57.00 53.31 1t0t n GLN 123 Cb 0.16 -1.39 -0.06 0.00 0.11 0.00 0.00 30.24 29.06 1t0t n GLN 123 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1t0t s ILE 124 N -1.94 5.02 0.27 5.09 1.01 -0.79 -4.98 121.20 124.88 1t0t s ILE 124 Ca 0.20 1.21 -0.04 0.00 0.00 0.00 0.00 60.65 62.02 1t0t s ILE 124 Cb 0.17 -3.95 0.37 0.00 0.01 0.00 0.00 42.46 39.05 1t0t s ILE 124 CO 0.37 0.12 1.60 -0.65 0.00 0.00 0.00 174.94 176.37 1t0t h PRO 125 N 7.42 0.04 0.00 2.79 0.11 -1.93 0.30 132.00 140.74 1t0t h PRO 125 Ca -0.32 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.69 1t0t h PRO 125 Cb 1.15 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1t0t h PRO 125 CO 0.77 0.03 -0.48 0.93 -0.21 0.00 0.00 178.00 179.04 1t0t h GLU 126 N 0.04 0.00 0.02 1.05 3.07 -1.94 -1.06 114.58 115.76 1t0t h GLU 126 Ca 0.49 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 59.30 1t0t h GLU 126 Cb 0.91 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.81 1t0t h GLU 126 CO -0.84 0.48 -0.28 0.28 -1.40 0.00 0.00 179.01 177.25 1t0t h VAL 127 N 0.00 1.64 -0.96 3.13 2.07 -1.21 -3.37 116.25 117.55 1t0t h VAL 127 Ca -0.00 -2.36 0.19 0.00 0.82 0.00 0.00 66.70 65.35 1t0t h VAL 127 Cb 1.16 3.23 -0.09 0.00 -1.52 0.00 0.00 31.29 34.07 1t0t h VAL 127 CO 0.06 0.59 0.61 0.03 0.02 0.00 0.00 177.57 178.89 1t0t h ARG 128 N -0.90 0.59 -0.44 1.57 3.08 -0.44 -0.34 114.38 117.49 1t0t h ARG 128 Ca -0.07 -0.04 0.09 0.00 0.07 0.00 0.00 59.98 60.04 1t0t h ARG 128 Cb 1.14 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.03 1t0t h ARG 128 CO -0.00 0.39 0.31 -0.09 -1.07 0.00 0.00 179.97 179.50 1t0t h ARG 129 N 0.61 0.19 0.00 0.04 2.43 -1.34 -1.34 114.38 114.97 1t0t h ARG 129 Ca 0.52 -0.01 -0.35 0.00 -0.81 0.00 0.00 59.98 59.33 1t0t h ARG 129 Cb 1.02 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.46 1t0t h ARG 129 CO -0.28 0.13 -2.18 0.54 -1.51 0.00 0.00 179.97 176.67 1t0t n ARG 130 N -4.45 0.67 -0.03 0.20 1.74 -0.22 -3.69 116.66 110.88 1t0t n ARG 130 Ca 0.07 0.10 -0.05 0.00 -0.77 0.00 0.00 57.85 57.20 1t0t n ARG 130 Cb 0.38 -1.61 0.17 0.00 -1.02 0.00 0.00 32.46 30.37 1t0t n ARG 130 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1t0t h LEU 131 N 0.00 0.60 -5.60 0.55 3.38 -1.16 -3.37 115.31 109.71 1t0t h LEU 131 Ca -0.47 -0.20 -0.55 0.00 0.09 0.00 0.00 57.88 56.75 1t0t h LEU 131 Cb 2.15 -0.16 -0.41 0.00 0.09 0.00 0.00 40.66 42.32 1t0t h LEU 131 CO 0.04 0.81 -0.85 -1.22 0.09 0.00 0.00 178.44 177.31 1t0t n TYR 132 N -4.13 2.52 -2.75 1.13 4.01 -0.52 -2.02 117.16 115.40 1t0t n TYR 132 Ca 0.00 -3.93 -0.36 0.00 -0.16 0.00 0.00 57.90 53.45 1t0t n TYR 132 Cb 0.40 -0.46 -0.06 0.00 -0.31 0.00 0.00 39.34 38.91 1t0t n TYR 132 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1t0t s PRO 133 N -3.00 4.49 -0.19 -0.72 0.04 -1.24 -4.79 135.00 129.59 1t0t s PRO 133 Ca 0.45 1.33 -0.28 0.00 0.04 0.00 0.00 61.00 62.54 1t0t s PRO 133 Cb 0.30 -2.69 -0.00 0.00 0.04 0.00 0.00 34.50 32.14 1t0t s PRO 133 CO -0.11 0.19 0.97 0.42 0.04 0.00 0.00 177.00 178.51 1t0t s ILE 134 N -1.69 4.76 0.39 0.56 -1.09 -1.26 -4.69 121.20 118.18 1t0t s ILE 134 Ca 0.53 1.91 -0.27 0.00 -2.23 0.00 0.00 60.65 60.59 1t0t s ILE 134 Cb -0.18 -4.26 -0.09 0.00 -1.58 0.00 0.00 42.46 36.35 1t0t s ILE 134 CO 0.23 -0.08 1.34 -0.76 -1.23 0.00 0.00 174.94 174.43 1t0t s LEU 135 N 2.67 4.26 0.43 2.97 1.43 -1.26 -4.96 118.68 124.22 1t0t s LEU 135 Ca 0.43 2.74 -0.26 0.00 -1.03 0.00 0.00 54.13 56.01 1t0t s LEU 135 Cb -0.16 -3.82 -0.08 0.00 0.03 0.00 0.00 46.19 42.15 1t0t s LEU 135 CO 0.10 -0.82 1.39 -2.84 0.23 0.00 0.00 176.35 174.42 1t0t s PRO 136 N -2.15 3.78 -0.92 1.29 0.02 -1.26 -4.94 135.00 130.82 1t0t s PRO 136 Ca 0.55 2.35 -0.02 0.00 0.02 0.00 0.00 61.00 63.90 1t0t s PRO 136 Cb -0.40 -2.70 0.31 0.00 0.02 0.00 0.00 34.50 31.73 1t0t s PRO 136 CO 0.52 -0.71 2.01 1.63 -0.33 0.00 0.00 177.00 180.12 1t0t n LYS 137 N -0.08 3.91 -2.13 5.54 4.01 -1.26 -5.02 118.16 123.13 1t0t n LYS 137 Ca 0.05 -3.92 -0.29 0.00 -0.51 0.00 0.00 58.31 53.64 1t0t n LYS 137 Cb 0.42 -2.36 0.03 0.00 -0.51 0.00 0.00 35.03 32.61 1t0t n LYS 137 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1t0t s THR 138 N -4.43 4.06 0.45 -0.18 -4.23 -1.26 -4.95 115.64 105.09 1t0t s THR 138 Ca 0.47 0.41 0.13 0.00 -1.18 0.00 0.00 61.69 61.53 1t0t s THR 138 Cb 0.32 -3.63 0.20 0.00 1.34 0.00 0.00 72.50 70.73 1t0t s THR 138 CO -0.28 -0.75 2.01 0.78 -0.54 0.00 0.00 174.62 175.84 1t0t h ASN 139 N -0.31 0.08 -4.37 3.99 2.35 -1.84 -3.40 115.58 112.09 1t0t h ASN 139 Ca -0.45 -0.01 -0.27 0.00 -0.55 0.00 0.00 56.30 55.02 1t0t h ASN 139 Cb 1.23 -0.02 -0.15 0.00 0.05 0.00 0.00 38.32 39.43 1t0t h ASN 139 CO 0.62 0.20 -0.71 -0.31 -1.65 0.00 0.00 177.43 175.59 1t0t s TYR 140 N -4.80 1.03 0.03 1.19 2.02 -0.26 -1.28 117.35 115.28 1t0t s TYR 140 Ca -0.05 -0.83 -0.01 0.00 -0.37 0.00 0.00 57.07 55.81 1t0t s TYR 140 Cb 0.16 -0.56 -0.02 0.00 -0.40 0.00 0.00 41.96 41.13 1t0t s TYR 140 CO 0.70 -0.06 -0.01 -1.50 -1.57 0.00 0.00 175.55 173.11 1t0t s ILE 141 N -3.38 0.14 -0.02 2.71 2.07 -0.71 -2.35 121.20 119.66 1t0t s ILE 141 Ca 0.12 -1.16 -0.00 0.00 -1.41 0.00 0.00 60.65 58.21 1t0t s ILE 141 Cb 0.03 -0.65 0.03 0.00 0.13 0.00 0.00 42.46 42.00 1t0t s ILE 141 CO -0.02 -0.64 0.03 0.00 -1.91 0.00 0.00 174.94 172.40 1t0t s PHE 143 N 1.00 1.81 -0.01 0.00 5.36 0.60 -0.27 117.98 126.47 1t0t s PHE 143 Ca -0.08 -0.43 -0.19 0.00 -0.96 0.00 0.00 56.93 55.27 1t0t s PHE 143 Cb -0.12 -1.19 0.04 0.00 -0.34 0.00 0.00 43.02 41.41 1t0t s PHE 143 CO -0.03 -0.10 0.41 1.52 -1.46 0.00 0.00 175.22 175.56 1t0t s TYR 144 N -0.25 -0.29 0.34 10.12 -0.85 -0.47 -1.00 117.35 124.94 1t0t s TYR 144 Ca 0.02 0.42 0.01 0.00 -0.52 0.00 0.00 57.07 57.01 1t0t s TYR 144 Cb -0.10 0.19 -0.03 0.00 0.38 0.00 0.00 41.96 42.40 1t0t s TYR 144 CO 0.01 -0.48 0.53 -1.25 -1.52 0.00 0.00 175.55 172.83 1t0t s PRO 145 N -1.61 3.47 0.06 -3.49 0.04 -1.26 -0.64 135.00 131.57 1t0t s PRO 145 Ca -0.11 -0.40 -0.10 0.00 0.04 0.00 0.00 61.00 60.43 1t0t s PRO 145 Cb -0.03 -2.69 0.00 0.00 0.04 0.00 0.00 34.50 31.82 1t0t s PRO 145 CO 0.04 0.18 0.21 0.00 0.04 0.00 0.00 177.00 177.46 1t0t s MET 146 N -4.28 0.76 0.31 4.56 0.23 -0.10 -0.95 119.30 119.83 1t0t s MET 146 Ca 0.39 -0.74 0.09 0.00 -1.03 0.00 0.00 55.69 54.40 1t0t s MET 146 Cb -0.09 0.32 -0.04 0.00 -1.53 0.00 0.00 34.83 33.48 1t0t s MET 146 CO 0.35 -0.23 0.05 -0.51 -2.03 0.00 0.00 175.02 172.65 1t0t s ASP 147 N -2.38 4.53 -0.17 -1.18 1.01 -0.04 -1.39 116.67 117.04 1t0t s ASP 147 Ca -0.01 -0.75 -0.13 0.00 0.71 0.00 0.00 52.55 52.37 1t0t s ASP 147 Cb 0.01 -0.75 -0.05 0.00 1.01 0.00 0.00 42.92 43.15 1t0t s ASP 147 CO -0.07 -0.15 0.24 -0.54 0.21 0.00 0.00 175.17 174.86 1t0t s LYS 148 N -3.74 4.24 0.55 8.23 -0.14 -1.26 -1.39 119.74 126.22 1t0t s LYS 148 Ca 0.34 -0.01 -0.21 0.00 -1.36 0.00 0.00 55.97 54.73 1t0t s LYS 148 Cb -0.04 -3.42 -0.05 0.00 -1.68 0.00 0.00 37.83 32.64 1t0t s LYS 148 CO 0.21 0.26 1.31 0.50 -0.76 0.00 0.00 175.35 176.87 1t0t s ARG 149 N 0.44 3.13 -0.42 1.68 3.52 0.13 -4.83 118.95 122.60 1t0t s ARG 149 Ca 0.14 2.12 0.09 0.00 -0.13 0.00 0.00 55.73 57.95 1t0t s ARG 149 Cb -0.12 -2.20 0.28 0.00 -1.56 0.00 0.00 34.95 31.35 1t0t s ARG 149 CO 0.02 -1.16 0.62 0.54 -0.81 0.00 0.00 175.30 174.51 1t0t n ARG 150 N -1.11 1.13 -3.70 5.12 1.74 -1.23 -0.68 116.66 117.92 1t0t n ARG 150 Ca 0.11 -3.52 -0.19 0.00 -0.77 0.00 0.00 57.85 53.48 1t0t n ARG 150 Cb 0.46 -1.52 -0.18 0.00 -1.02 0.00 0.00 32.46 30.21 1t0t n ARG 150 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1t0t s GLN 151 N -1.78 -0.03 5.57 5.56 -0.21 -0.93 -4.92 119.66 122.93 1t0t s GLN 151 Ca 0.38 0.32 0.00 0.00 0.02 0.00 0.00 55.36 56.08 1t0t s GLN 151 Cb 0.22 -0.48 0.00 0.00 1.00 0.00 0.00 33.01 33.75 1t0t s GLN 151 CO -0.09 -0.29 0.00 0.41 -2.12 0.00 0.00 175.29 173.19 1t0t n GLY 152 N 5.05 3.33 0.28 3.09 0.00 -1.26 -0.25 105.19 115.43 1t0t n GLY 152 Ca -0.09 -0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.03 1t0t n GLY 152 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1t0t n ASN 153 N 4.02 0.86 -3.65 1.61 3.02 -1.26 -3.99 115.26 115.88 1t0t n ASN 153 Ca 0.00 -1.34 -0.36 0.00 -0.03 0.00 0.00 54.58 52.86 1t0t n ASN 153 Cb 0.00 -0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.13 1t0t n ASN 153 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1t0t n ASP 154 N -0.30 5.44 -4.10 6.41 8.00 0.65 -4.98 116.55 127.68 1t0t n ASP 154 Ca 0.20 -3.49 -0.34 0.00 0.71 0.00 0.00 54.79 51.87 1t0t n ASP 154 Cb 0.24 -0.98 -0.13 0.00 -0.02 0.00 0.00 41.12 40.24 1t0t n ASP 154 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1t0t s ASN 155 N -2.16 5.05 0.34 -2.24 3.84 -1.26 -2.18 114.94 116.34 1t0t s ASN 155 Ca 0.37 -1.96 0.05 0.00 0.21 0.00 0.00 52.86 51.53 1t0t s ASN 155 Cb 0.12 -1.75 0.69 0.00 -0.55 0.00 0.00 41.25 39.77 1t0t s ASN 155 CO 0.01 -0.45 1.92 -0.25 -2.79 0.00 0.00 177.10 175.54 1t0t h TRP 156 N 7.91 0.87 -0.00 0.43 2.91 -1.22 -2.30 115.95 124.55 1t0t h TRP 156 Ca -0.11 0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.93 1t0t h TRP 156 Cb 1.04 -0.28 0.00 0.00 -0.51 0.00 0.00 29.16 29.41 1t0t h TRP 156 CO 0.54 0.42 -0.20 0.66 -1.03 0.00 0.00 178.44 178.82 1t0t n TYR 157 N -4.51 0.00 1.12 2.65 4.01 -1.26 -2.30 117.16 116.87 1t0t n TYR 157 Ca 0.14 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.99 1t0t n TYR 157 Cb 0.29 -0.20 0.17 0.00 -0.31 0.00 0.00 39.34 39.28 1t0t n TYR 157 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 1t0t n MET 158 N -1.00 1.13 -1.35 -0.72 2.81 -0.87 -4.95 117.12 112.16 1t0t n MET 158 Ca 0.12 -0.84 -0.30 0.00 -1.81 0.00 0.00 57.70 54.87 1t0t n MET 158 Cb 0.31 -1.48 0.12 0.00 -0.71 0.00 0.00 33.22 31.46 1t0t n MET 158 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1t0t s LEU 159 N -2.45 2.44 0.77 4.03 1.43 -0.97 -5.06 118.68 118.86 1t0t s LEU 159 Ca 0.22 1.43 -0.11 0.00 -1.03 0.00 0.00 54.13 54.63 1t0t s LEU 159 Cb 0.19 -3.94 0.05 0.00 0.03 0.00 0.00 46.19 42.51 1t0t s LEU 159 CO 0.53 -2.33 1.09 -0.94 0.23 0.00 0.00 176.35 174.93 1t0t s SER 160 N -3.62 4.80 0.37 2.29 1.04 -1.26 -4.88 113.70 112.43 1t0t s SER 160 Ca 0.62 1.34 0.06 0.00 0.48 0.00 0.00 55.95 58.45 1t0t s SER 160 Cb -0.16 -2.11 0.72 0.00 0.10 0.00 0.00 66.02 64.57 1t0t s SER 160 CO 0.56 -1.78 1.96 -0.03 0.98 0.00 0.00 173.24 174.92 1t0t h MET 161 N -0.95 0.52 -0.05 4.02 4.05 -1.97 -1.83 114.93 118.71 1t0t h MET 161 Ca -0.46 -0.07 -0.23 0.00 -0.28 0.00 0.00 59.70 58.65 1t0t h MET 161 Cb 1.26 -0.09 0.01 0.00 -0.80 0.00 0.00 31.60 31.97 1t0t h MET 161 CO 0.59 0.46 -0.90 1.05 0.23 0.00 0.00 176.91 178.34 1t0t h GLU 162 N 0.51 0.60 -0.09 0.39 9.09 -1.98 0.90 114.58 123.99 1t0t h GLU 162 Ca 0.12 -0.58 0.00 0.00 0.05 0.00 0.00 59.36 58.96 1t0t h GLU 162 Cb 0.16 0.15 -0.01 0.00 -1.65 0.00 0.00 28.75 27.41 1t0t h GLU 162 CO -0.01 1.19 0.06 1.96 0.05 0.00 0.00 179.01 182.26 1t0t h GLN 163 N 0.37 0.11 -0.62 1.06 4.20 -1.89 -1.10 115.11 117.24 1t0t h GLN 163 Ca -0.08 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.67 1t0t h GLN 163 Cb 1.53 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 29.24 1t0t h GLN 163 CO 0.17 0.08 0.35 0.00 -0.67 0.00 0.00 178.83 178.76 1t0t h ARG 164 N 0.12 0.65 -0.50 1.46 3.08 -1.26 -0.83 114.38 117.10 1t0t h ARG 164 Ca 0.04 -0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.10 1t0t h ARG 164 Cb -0.01 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 29.84 1t0t h ARG 164 CO -0.02 0.43 0.21 -0.09 -1.07 0.00 0.00 179.97 179.44 1t0t h ARG 165 N 0.67 0.40 -0.03 0.04 2.43 -0.55 -1.43 114.38 115.92 1t0t h ARG 165 Ca 0.27 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.28 1t0t h ARG 165 Cb 0.12 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1t0t h ARG 165 CO -0.15 0.26 -0.62 0.93 -1.51 0.00 0.00 179.97 178.88 1t0t h GLU 166 N 0.41 0.12 -0.50 0.20 5.08 -0.85 -2.59 114.58 116.45 1t0t h GLU 166 Ca 0.23 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.43 1t0t h GLU 166 Cb 0.21 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1t0t h GLU 166 CO -0.21 0.70 0.00 -0.07 -1.00 0.00 0.00 179.01 178.43 1t0t h LEU 167 N 0.09 0.87 -1.03 1.33 3.38 -0.99 -2.54 115.31 116.42 1t0t h LEU 167 Ca -0.01 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1t0t h LEU 167 Cb 1.11 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1t0t h LEU 167 CO 0.09 0.97 0.00 0.24 0.09 0.00 0.00 178.44 179.82 1t0t h MET 168 N 0.75 0.00 -0.19 1.13 2.86 -1.05 -3.19 114.93 115.24 1t0t h MET 168 Ca 0.14 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.75 1t0t h MET 168 Cb 0.52 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 1t0t h MET 168 CO 0.03 0.00 -0.02 -0.09 1.06 0.00 0.00 176.91 177.88 1t0t h ARG 169 N 0.00 0.36 -0.58 1.72 2.43 -1.06 -1.12 114.38 116.14 1t0t h ARG 169 Ca 0.00 -0.13 0.02 0.00 -0.81 0.00 0.00 59.98 59.07 1t0t h ARG 169 Cb 0.45 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.94 1t0t h ARG 169 CO 0.00 0.59 0.36 0.00 -1.51 0.00 0.00 179.97 179.40 1t0t h ALA 170 N 0.76 0.74 -0.67 2.80 0.00 -1.61 -1.28 119.26 120.00 1t0t h ALA 170 Ca 0.05 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.01 1t0t h ALA 170 Cb 0.44 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1t0t h ALA 170 CO 0.01 0.10 0.36 1.25 0.00 0.00 0.00 179.25 180.97 1t0t h HIS 171 N 0.71 0.65 -0.62 0.00 -0.00 -1.52 -1.82 115.15 112.55 1t0t h HIS 171 Ca 0.23 0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.55 1t0t h HIS 171 Cb 0.00 -0.19 -0.03 0.00 -0.00 0.00 0.00 27.41 27.19 1t0t h HIS 171 CO -0.05 0.29 0.10 0.78 -0.00 0.00 0.00 177.93 179.05 1t0t h GLY 172 N 0.65 1.08 1.60 5.26 0.00 -0.50 -2.07 103.07 109.08 1t0t h GLY 172 Ca 0.31 -0.69 -0.11 0.00 0.00 0.00 0.00 47.33 46.84 1t0t h GLY 172 CO -0.21 0.64 -0.32 -0.33 0.00 0.00 0.00 176.54 176.32 1t0t h MET 173 N 0.94 0.46 -0.44 4.80 2.86 -0.86 -0.85 114.93 121.85 1t0t h MET 173 Ca 0.19 -0.20 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 1t0t h MET 173 Cb 0.40 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 1t0t h MET 173 CO 0.01 0.73 0.00 1.15 1.06 0.00 0.00 176.91 179.86 1t0t h THR 174 N 0.40 1.26 -0.76 2.22 2.02 -1.09 -2.79 112.91 114.17 1t0t h THR 174 Ca 0.05 -1.03 0.03 0.00 0.77 0.00 0.00 66.41 66.22 1t0t h THR 174 Cb 0.76 1.06 -0.05 0.00 -1.74 0.00 0.00 68.15 68.18 1t0t h THR 174 CO 0.06 0.35 0.49 1.23 0.37 0.00 0.00 175.52 178.02 1t0t h GLY 175 N 0.62 1.10 1.59 2.16 0.00 -0.89 -2.34 103.07 105.31 1t0t h GLY 175 Ca 0.13 -0.37 0.02 0.00 0.00 0.00 0.00 47.33 47.11 1t0t h GLY 175 CO 0.02 0.32 0.18 3.21 0.00 0.00 0.00 176.54 180.28 1t0t h ARG 176 N 0.96 0.00 0.00 4.80 3.08 -0.89 -0.39 114.38 121.95 1t0t h ARG 176 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.35 1t0t h ARG 176 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1t0t h ARG 176 CO -0.10 0.00 0.00 0.87 -1.07 0.00 0.00 179.97 179.67 1t0t h LYS 177 N 0.00 0.00 -0.27 0.04 1.57 -1.39 -2.41 116.57 114.11 1t0t h LYS 177 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1t0t h LYS 177 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1t0t h LYS 177 CO -0.00 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.54 1t0t n TYR 178 N -2.64 0.77 -1.66 -1.35 4.01 -0.15 -4.97 117.16 111.17 1t0t n TYR 178 Ca 0.00 -0.78 -0.48 0.00 -0.16 0.00 0.00 57.90 56.49 1t0t n TYR 178 Cb 0.20 -0.23 -0.05 0.00 -0.31 0.00 0.00 39.34 38.96 1t0t n TYR 178 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1t0t n ALA 179 N -0.28 0.83 -0.13 -0.72 0.00 -0.91 -0.37 120.51 118.93 1t0t n ALA 179 Ca 0.18 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.06 1t0t n ALA 179 Cb 0.75 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.88 1t0t n ALA 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t0t n GLY 180 N 3.41 2.64 0.13 0.00 0.00 -1.26 -4.79 105.19 105.32 1t0t n GLY 180 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 1t0t n GLY 180 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1t0t n LYS 181 N -2.00 0.66 -4.03 1.61 5.02 0.51 -5.01 118.16 114.91 1t0t n LYS 181 Ca 0.00 0.15 -0.14 0.00 -2.02 0.00 0.00 58.31 56.30 1t0t n LYS 181 Cb 0.00 -1.53 -0.14 0.00 -0.02 0.00 0.00 35.03 33.34 1t0t n LYS 181 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1t0t s VAL 182 N -2.52 0.23 0.10 -0.18 1.01 -0.91 -4.38 120.40 113.75 1t0t s VAL 182 Ca -0.34 -0.12 0.09 0.00 0.00 0.00 0.00 61.98 61.60 1t0t s VAL 182 Cb 0.09 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 36.23 1t0t s VAL 182 CO 0.61 0.06 -0.19 0.42 0.00 0.00 0.00 175.10 176.01 1t0t s THR 183 N -0.06 2.80 -0.12 3.92 -4.23 -0.64 -4.71 115.64 112.59 1t0t s THR 183 Ca 0.01 -1.46 0.01 0.00 -1.18 0.00 0.00 61.69 59.07 1t0t s THR 183 Cb -0.01 -2.26 0.02 0.00 1.34 0.00 0.00 72.50 71.59 1t0t s THR 183 CO -0.00 0.14 -0.13 -1.58 -0.54 0.00 0.00 174.62 172.51 1t0t s GLN 184 N -2.01 2.07 -0.32 3.99 0.74 -1.26 -0.92 119.66 121.95 1t0t s GLN 184 Ca 0.17 -0.49 -0.13 0.00 0.05 0.00 0.00 55.36 54.96 1t0t s GLN 184 Cb -0.11 -1.88 -0.03 0.00 1.10 0.00 0.00 33.01 32.10 1t0t s GLN 184 CO 0.09 -0.16 0.26 0.42 -0.55 0.00 0.00 175.29 175.35 1t0t s ILE 185 N 1.30 5.26 -0.24 -2.34 -1.09 0.30 -4.98 121.20 119.41 1t0t s ILE 185 Ca -0.00 0.00 -0.11 0.00 -2.23 0.00 0.00 60.65 58.31 1t0t s ILE 185 Cb -0.14 -3.69 -0.05 0.00 -1.58 0.00 0.00 42.46 37.01 1t0t s ILE 185 CO -0.06 0.05 0.16 -0.63 -1.23 0.00 0.00 174.94 173.24 1t0t s ILE 186 N 1.82 5.36 0.00 2.92 -1.09 -1.26 -1.43 121.20 127.52 1t0t s ILE 186 Ca 0.08 0.19 0.08 0.00 -2.23 0.00 0.00 60.65 58.77 1t0t s ILE 186 Cb -0.17 -3.50 -0.02 0.00 -1.58 0.00 0.00 42.46 37.19 1t0t s ILE 186 CO 0.11 0.34 -0.25 0.42 -1.23 0.00 0.00 174.94 174.34 1t0t s THR 187 N 1.06 2.22 -0.09 2.92 -4.23 -0.42 -2.60 115.64 114.51 1t0t s THR 187 Ca 0.08 -1.16 -0.12 0.00 -1.18 0.00 0.00 61.69 59.30 1t0t s THR 187 Cb -0.14 -1.82 -0.05 0.00 1.34 0.00 0.00 72.50 71.84 1t0t s THR 187 CO 0.05 0.50 0.29 -0.83 -0.54 0.00 0.00 174.62 174.09 1t0t s GLY 188 N -0.87 2.29 0.00 3.99 0.00 0.68 -0.64 107.32 112.78 1t0t s GLY 188 Ca 0.11 -0.42 0.00 0.00 0.00 0.00 0.00 44.72 44.41 1t0t s GLY 188 CO 0.00 0.09 0.66 -1.14 0.00 0.00 0.00 173.10 172.72 1t0t n SER 189 N 2.47 0.70 -4.68 1.64 3.41 0.02 -1.02 113.62 116.16 1t0t n SER 189 Ca -0.15 -1.34 -0.46 0.00 -0.26 0.00 0.00 58.87 56.66 1t0t n SER 189 Cb 0.53 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.44 1t0t n SER 189 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1t0t n VAL 190 N -0.17 0.28 -0.63 -3.33 0.31 -1.12 -0.59 118.33 113.08 1t0t n VAL 190 Ca 0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1t0t n VAL 190 Cb 0.40 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 1t0t n VAL 190 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1t0t n GLY 191 N 3.94 1.51 0.00 2.92 0.00 -1.26 -4.79 105.19 107.51 1t0t n GLY 191 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1t0t n GLY 191 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1t0t n LEU 192 N 0.00 0.24 0.00 0.99 4.77 0.24 -5.12 117.00 118.13 1t0t n LEU 192 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1t0t n LEU 192 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1t0t n LEU 192 CO 0.00 0.04 0.00 -0.67 -1.33 0.00 0.00 177.39 175.43 1t0t n ASP 193 N -1.67 0.00 0.08 -1.43 -0.08 -0.41 -4.75 116.55 108.30 1t0t n ASP 193 Ca 0.00 -0.69 -0.03 0.00 -1.51 0.00 0.00 54.79 52.56 1t0t n ASP 193 Cb 0.37 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.76 1t0t n ASP 193 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1t0t h ASP 194 N 0.00 0.00 -5.13 1.67 5.19 -1.92 -3.45 116.42 112.78 1t0t h ASP 194 Ca 0.00 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 56.07 1t0t h ASP 194 Cb 0.00 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 1t0t h ASP 194 CO 0.00 0.78 -0.13 0.49 -3.12 0.00 0.00 179.24 177.25 1t0t n PHE 195 N -3.25 -1.38 -0.06 4.55 3.72 -1.26 -5.06 117.46 114.71 1t0t n PHE 195 Ca -0.01 -1.41 -0.12 0.00 -0.05 0.00 0.00 57.45 55.86 1t0t n PHE 195 Cb 0.86 -0.30 -0.15 0.00 -0.94 0.00 0.00 39.48 38.96 1t0t n PHE 195 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1t0t n GLU 196 N -1.43 0.67 -4.01 -1.08 1.02 -0.48 -4.00 120.64 111.32 1t0t n GLU 196 Ca 0.02 0.15 -0.11 0.00 -0.02 0.00 0.00 57.16 57.20 1t0t n GLU 196 Cb 0.38 -1.64 -0.12 0.00 -0.02 0.00 0.00 31.44 30.05 1t0t n GLU 196 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1t0t s TRP 197 N -2.54 0.39 -0.02 -0.32 0.51 -0.56 -0.80 118.94 115.58 1t0t s TRP 197 Ca -0.13 -0.42 -0.12 0.00 -2.12 0.00 0.00 56.10 53.31 1t0t s TRP 197 Cb 0.07 -0.25 -0.05 0.00 -0.81 0.00 0.00 33.47 32.43 1t0t s TRP 197 CO 0.79 -0.12 0.33 0.20 -0.51 0.00 0.00 176.95 177.65 1t0t s GLY 198 N -1.22 2.38 -0.21 0.98 0.00 0.19 -0.93 107.32 108.51 1t0t s GLY 198 Ca -0.11 -0.35 0.01 0.00 0.00 0.00 0.00 44.72 44.28 1t0t s GLY 198 CO -0.00 -0.03 -0.12 0.14 0.00 0.00 0.00 173.10 173.09 1t0t s VAL 199 N -1.10 1.82 -0.16 1.40 1.01 0.19 -1.30 120.40 122.26 1t0t s VAL 199 Ca 0.22 -1.14 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 1t0t s VAL 199 Cb -0.15 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 1t0t s VAL 199 CO 0.11 0.18 -0.10 -0.89 0.00 0.00 0.00 175.10 174.41 1t0t s THR 200 N 1.31 3.17 -0.05 3.92 2.01 -0.52 -1.37 115.64 124.12 1t0t s THR 200 Ca -0.02 -0.60 0.05 0.00 0.31 0.00 0.00 61.69 61.43 1t0t s THR 200 Cb -0.17 -2.37 -0.02 0.00 0.01 0.00 0.00 72.50 69.95 1t0t s THR 200 CO -0.08 0.49 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.39 1t0t s LEU 201 N 0.72 2.41 -0.10 4.42 1.43 0.63 -0.54 118.68 127.65 1t0t s LEU 201 Ca -0.05 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 52.74 1t0t s LEU 201 Cb -0.15 -1.46 0.01 0.00 0.03 0.00 0.00 46.19 44.62 1t0t s LEU 201 CO 0.02 0.31 -0.18 -0.36 0.23 0.00 0.00 176.35 176.36 1t0t s PHE 202 N -0.52 2.16 0.06 0.29 0.08 -0.09 -1.12 117.98 118.83 1t0t s PHE 202 Ca 0.07 -0.95 -0.16 0.00 0.12 0.00 0.00 56.93 56.00 1t0t s PHE 202 Cb -0.11 -1.50 0.03 0.00 -0.57 0.00 0.00 43.02 40.86 1t0t s PHE 202 CO 0.01 -0.44 0.37 0.45 -0.10 0.00 0.00 175.22 175.51 1t0t s SER 203 N 0.70 -0.22 0.00 1.36 0.15 -0.99 -1.61 113.70 113.08 1t0t s SER 203 Ca -0.12 -0.12 0.20 0.00 0.70 0.00 0.00 55.95 56.61 1t0t s SER 203 Cb -0.16 0.41 0.72 0.00 -1.71 0.00 0.00 66.02 65.28 1t0t s SER 203 CO 0.03 -0.68 1.53 0.47 1.20 0.00 0.00 173.24 175.79 1t0t n ASP 204 N 0.39 1.72 -3.65 5.45 8.00 -1.26 -1.10 116.55 126.10 1t0t n ASP 204 Ca -0.18 -1.73 -0.28 0.00 0.71 0.00 0.00 54.79 53.31 1t0t n ASP 204 Cb 0.60 -0.11 -0.16 0.00 -0.02 0.00 0.00 41.12 41.43 1t0t n ASP 204 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1t0t s ASP 205 N -1.54 3.16 0.60 -2.24 2.15 -1.26 -4.72 116.67 112.81 1t0t s ASP 205 Ca 0.32 -1.05 0.31 0.00 0.43 0.00 0.00 52.55 52.56 1t0t s ASP 205 Cb 0.17 -0.49 1.88 0.00 -0.30 0.00 0.00 42.92 44.18 1t0t s ASP 205 CO 0.26 -0.37 2.26 0.00 -0.17 0.00 0.00 175.17 177.14 1t0t h ALA 206 N 8.30 1.49 0.00 3.66 0.00 -1.97 -0.96 119.26 129.79 1t0t h ALA 206 Ca -0.17 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1t0t h ALA 206 Cb 1.08 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1t0t h ALA 206 CO 0.38 -0.03 -0.08 -0.07 0.00 0.00 0.00 179.25 179.45 1t0t h LEU 207 N 0.00 0.00 -1.87 0.00 3.38 -1.98 -2.08 115.31 112.75 1t0t h LEU 207 Ca 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1t0t h LEU 207 Cb 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1t0t h LEU 207 CO -0.00 0.08 -0.12 1.56 0.09 0.00 0.00 178.44 180.05 1t0t h GLN 208 N 0.00 0.00 0.01 1.13 1.08 -1.57 -1.45 115.11 114.32 1t0t h GLN 208 Ca -0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1t0t h GLN 208 Cb 0.17 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 1t0t h GLN 208 CO 0.01 0.12 -0.01 0.74 -0.95 0.00 0.00 178.83 178.75 1t0t h PHE 209 N 0.00 -0.02 -0.62 2.96 0.04 -1.53 -0.06 116.94 117.71 1t0t h PHE 209 Ca -0.00 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 1t0t h PHE 209 Cb 0.25 0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.38 1t0t h PHE 209 CO 0.00 -0.01 0.25 -0.22 -0.60 0.00 0.00 178.31 177.73 1t0t h LYS 210 N -0.02 0.93 -0.10 1.51 3.64 -1.56 -1.65 116.57 119.32 1t0t h LYS 210 Ca -0.00 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.20 1t0t h LYS 210 Cb 0.01 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1t0t h LYS 210 CO 0.00 0.79 0.04 0.87 -2.27 0.00 0.00 179.45 178.88 1t0t h LYS 211 N 0.87 0.15 -0.17 1.90 1.57 -1.11 -1.90 116.57 117.89 1t0t h LYS 211 Ca 0.21 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1t0t h LYS 211 Cb 0.20 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1t0t h LYS 211 CO -0.02 0.27 0.07 1.25 -0.57 0.00 0.00 179.45 180.45 1t0t h LEU 212 N -0.01 0.23 -0.82 2.94 5.85 -1.02 -1.14 115.31 121.35 1t0t h LEU 212 Ca 0.03 -0.17 -0.12 0.00 0.84 0.00 0.00 57.88 58.47 1t0t h LEU 212 Cb 0.18 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1t0t h LEU 212 CO -0.00 0.34 -0.39 0.58 -0.34 0.00 0.00 178.44 178.63 1t0t h VAL 213 N 0.11 1.30 -0.20 1.05 2.07 -1.32 0.08 116.25 119.34 1t0t h VAL 213 Ca 0.06 -1.51 -0.19 0.00 0.82 0.00 0.00 66.70 65.87 1t0t h VAL 213 Cb 0.18 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1t0t h VAL 213 CO -0.00 0.47 -0.64 0.22 0.02 0.00 0.00 177.57 177.63 1t0t h TYR 214 N 0.35 0.96 -0.42 1.57 3.20 -1.27 -2.41 116.97 118.94 1t0t h TYR 214 Ca 0.03 -0.38 -0.10 0.00 3.14 0.00 0.00 58.73 61.43 1t0t h TYR 214 Cb 0.83 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 1t0t h TYR 214 CO 0.02 1.18 -0.12 1.49 -1.64 0.00 0.00 178.16 179.10 1t0t h GLU 215 N 0.54 0.83 -0.75 1.82 4.81 -0.81 -1.65 114.58 119.38 1t0t h GLU 215 Ca -0.01 -0.32 0.09 0.00 -0.13 0.00 0.00 59.36 58.99 1t0t h GLU 215 Cb 1.24 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.53 1t0t h GLU 215 CO 0.13 0.95 0.49 0.52 -0.73 0.00 0.00 179.01 180.37 1t0t h MET 216 N 0.65 0.64 0.00 1.92 2.86 -0.85 -2.20 114.93 117.96 1t0t h MET 216 Ca 0.11 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1t0t h MET 216 Cb 0.65 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1t0t h MET 216 CO 0.04 0.43 0.00 -0.09 1.06 0.00 0.00 176.91 178.35 1t0t h ARG 217 N 0.66 0.00 0.00 1.72 2.43 -0.78 -0.82 114.38 117.59 1t0t h ARG 217 Ca 0.34 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 1t0t h ARG 217 Cb 0.46 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1t0t h ARG 217 CO -0.12 0.00 -0.26 1.19 -1.51 0.00 0.00 179.97 179.26 1t0t n PHE 218 N -3.03 0.12 -2.24 2.20 3.72 -0.83 -3.41 117.46 114.00 1t0t n PHE 218 Ca -0.01 0.04 -0.41 0.00 -0.05 0.00 0.00 57.45 57.02 1t0t n PHE 218 Cb 0.18 -0.45 -0.03 0.00 -0.94 0.00 0.00 39.48 38.25 1t0t n PHE 218 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1t0t s ASP 219 N -3.23 6.94 0.25 4.37 1.01 -0.31 -4.87 116.67 120.82 1t0t s ASP 219 Ca 0.12 2.53 -0.05 0.00 0.71 0.00 0.00 52.55 55.86 1t0t s ASP 219 Cb 0.17 -2.64 0.32 0.00 1.01 0.00 0.00 42.92 41.79 1t0t s ASP 219 CO 0.62 -0.41 1.88 -0.08 0.21 0.00 0.00 175.17 177.39 1t0t h GLU 220 N 3.72 1.10 -0.93 8.23 4.81 -1.88 0.83 114.58 130.45 1t0t h GLU 220 Ca -0.48 -0.07 0.11 0.00 -0.13 0.00 0.00 59.36 58.79 1t0t h GLU 220 Cb 1.22 -0.25 -0.08 0.00 0.63 0.00 0.00 28.75 30.27 1t0t h GLU 220 CO 0.67 0.73 0.57 -0.24 -0.73 0.00 0.00 179.01 180.00 1t0t h VAL 221 N 1.13 0.92 0.15 0.32 3.04 -1.91 0.54 116.25 120.44 1t0t h VAL 221 Ca 0.38 -0.32 -0.21 0.00 -1.01 0.00 0.00 66.70 65.55 1t0t h VAL 221 Cb 0.07 -0.08 0.02 0.00 -2.01 0.00 0.00 31.29 29.29 1t0t h VAL 221 CO -0.14 0.17 -0.92 0.28 -1.01 0.00 0.00 177.57 175.94 1t0t h SER 222 N 0.92 0.50 -0.49 3.17 0.02 -1.21 -2.20 113.55 114.26 1t0t h SER 222 Ca 0.46 -0.94 -0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1t0t h SER 222 Cb 0.43 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1t0t h SER 222 CO -0.26 1.44 0.29 0.00 -1.14 0.00 0.00 176.83 177.17 1t0t h ALA 223 N 0.08 0.62 0.00 3.77 0.00 -0.75 -1.78 119.26 121.20 1t0t h ALA 223 Ca -0.17 -0.07 -0.32 0.00 0.00 0.00 0.00 54.91 54.36 1t0t h ALA 223 Cb 1.70 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 19.24 1t0t h ALA 223 CO 0.16 0.11 -1.96 0.54 0.00 0.00 0.00 179.25 178.09 1t0t n ARG 224 N -4.70 0.65 0.00 0.00 1.74 0.16 -4.60 116.66 109.92 1t0t n ARG 224 Ca 0.02 0.17 0.02 0.00 -0.77 0.00 0.00 57.85 57.30 1t0t n ARG 224 Cb 0.06 -1.69 0.01 0.00 -1.02 0.00 0.00 32.46 29.82 1t0t n ARG 224 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1t0t n PHE 225 N -2.92 0.00 -3.09 -1.55 3.72 -0.83 -4.82 117.46 107.96 1t0t n PHE 225 Ca -0.23 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.78 1t0t n PHE 225 Cb 1.08 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.57 1t0t n PHE 225 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1t0t s GLY 226 N -0.54 2.33 -0.14 1.37 0.00 -0.67 0.21 107.32 109.89 1t0t s GLY 226 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 44.72 44.71 1t0t s GLY 226 CO 0.08 1.22 -0.12 -0.54 0.00 0.00 0.00 173.10 173.74 1t0t s GLU 227 N 1.31 2.01 0.06 2.90 0.41 -0.49 -4.85 118.70 120.06 1t0t s GLU 227 Ca 0.33 -0.45 0.05 0.00 -0.41 0.00 0.00 54.97 54.49 1t0t s GLU 227 Cb -0.17 -1.92 -0.04 0.00 -1.78 0.00 0.00 34.13 30.23 1t0t s GLU 227 CO 0.14 -0.25 -0.06 -0.06 -0.49 0.00 0.00 175.26 174.54 1t0t s PHE 228 N 1.57 2.86 0.00 1.61 0.08 -1.26 -0.86 117.98 121.97 1t0t s PHE 228 Ca 0.05 -0.08 0.00 0.00 0.12 0.00 0.00 56.93 57.02 1t0t s PHE 228 Cb -0.13 -1.53 0.00 0.00 -0.57 0.00 0.00 43.02 40.80 1t0t s PHE 228 CO -0.10 0.42 0.00 0.41 -0.10 0.00 0.00 175.22 175.85 1t0t n GLY 229 N 0.99 1.62 3.83 4.36 0.00 -0.12 -4.99 105.19 110.87 1t0t n GLY 229 Ca -0.13 -1.77 -0.33 0.00 0.00 0.00 0.00 46.02 43.79 1t0t n GLY 229 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1t0t s SER 230 N -1.00 6.79 -0.18 1.61 0.01 -1.26 -4.83 113.70 114.84 1t0t s SER 230 Ca 0.00 1.62 -0.04 0.00 1.31 0.00 0.00 55.95 58.84 1t0t s SER 230 Cb 0.00 -2.52 -0.02 0.00 0.21 0.00 0.00 66.02 63.69 1t0t s SER 230 CO 0.00 -0.46 -0.03 -0.36 0.41 0.00 0.00 173.24 172.81 1t0t s PHE 231 N -2.37 3.01 -0.11 2.43 0.08 -1.26 -4.20 117.98 115.56 1t0t s PHE 231 Ca 0.60 -0.47 0.02 0.00 0.12 0.00 0.00 56.93 57.21 1t0t s PHE 231 Cb -0.09 -2.03 -0.01 0.00 -0.57 0.00 0.00 43.02 40.32 1t0t s PHE 231 CO 0.21 -0.20 -0.20 -0.06 -0.10 0.00 0.00 175.22 174.88 1t0t s PHE 232 N 0.78 2.65 -0.02 0.36 0.08 -0.17 -4.97 117.98 116.69 1t0t s PHE 232 Ca -0.01 -0.87 0.04 0.00 0.12 0.00 0.00 56.93 56.22 1t0t s PHE 232 Cb -0.14 -1.76 -0.01 0.00 -0.57 0.00 0.00 43.02 40.54 1t0t s PHE 232 CO 0.02 -0.32 -0.15 0.54 -0.10 0.00 0.00 175.22 175.21 1t0t s VAL 233 N 0.31 1.17 0.30 -0.44 0.11 -1.26 -0.29 120.40 120.29 1t0t s VAL 233 Ca -0.15 -0.61 -0.00 0.00 -2.93 0.00 0.00 61.98 58.29 1t0t s VAL 233 Cb -0.17 -0.99 0.00 0.00 -1.53 0.00 0.00 36.38 33.69 1t0t s VAL 233 CO 0.07 0.34 0.39 0.61 -3.33 0.00 0.00 175.10 173.18 1t0t n GLY 234 N 2.90 2.39 3.23 6.54 0.00 -0.63 -1.56 105.19 118.07 1t0t n GLY 234 Ca -0.16 -1.63 -0.24 0.00 0.00 0.00 0.00 46.02 43.99 1t0t n GLY 234 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t0t s THR 235 N -2.83 1.57 0.36 2.61 -4.23 0.18 -1.74 115.64 111.56 1t0t s THR 235 Ca 0.27 -1.19 -0.28 0.00 -1.18 0.00 0.00 61.69 59.31 1t0t s THR 235 Cb -0.00 -1.38 -0.10 0.00 1.34 0.00 0.00 72.50 72.35 1t0t s THR 235 CO 0.19 0.15 1.41 -0.60 -0.54 0.00 0.00 174.62 175.23 1t0t s ARG 236 N -1.23 4.18 -0.53 3.99 3.52 -0.40 -0.34 118.95 128.14 1t0t s ARG 236 Ca 0.06 2.41 -0.04 0.00 -0.13 0.00 0.00 55.73 58.03 1t0t s ARG 236 Cb -0.09 -2.99 0.14 0.00 -1.56 0.00 0.00 34.95 30.46 1t0t s ARG 236 CO 0.02 -0.41 0.35 -1.17 -0.81 0.00 0.00 175.30 173.28 1t0t s LEU 237 N -2.02 5.37 0.37 -0.88 2.96 -0.64 -4.74 118.68 119.09 1t0t s LEU 237 Ca 0.52 -2.41 -0.28 0.00 -0.22 0.00 0.00 54.13 51.74 1t0t s LEU 237 Cb -0.43 -1.88 -0.11 0.00 0.50 0.00 0.00 46.19 44.27 1t0t s LEU 237 CO 0.58 -0.49 1.44 -2.84 -1.32 0.00 0.00 176.35 173.73 1t0t s PRO 238 N 0.60 4.16 0.54 0.98 0.02 -1.26 -4.81 135.00 135.23 1t0t s PRO 238 Ca 0.12 2.48 0.21 0.00 0.02 0.00 0.00 61.00 63.84 1t0t s PRO 238 Cb -0.22 -2.99 1.46 0.00 0.02 0.00 0.00 34.50 32.77 1t0t s PRO 238 CO -0.04 -0.46 2.17 0.52 -0.33 0.00 0.00 177.00 178.86 1t0t h MET 239 N 3.08 0.00 0.00 5.54 2.86 -1.98 0.41 114.93 124.84 1t0t h MET 239 Ca -0.50 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.14 1t0t h MET 239 Cb 1.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.90 1t0t h MET 239 CO 0.64 0.00 0.00 0.39 1.06 0.00 0.00 176.91 179.00 1t0t n GLU 240 N -4.29 0.18 0.00 1.72 4.71 -1.26 -2.62 120.64 119.07 1t0t n GLU 240 Ca -0.02 0.50 0.11 0.00 -0.01 0.00 0.00 57.16 57.74 1t0t n GLU 240 Cb 0.14 -1.91 0.08 0.00 -1.01 0.00 0.00 31.44 28.74 1t0t n GLU 240 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1t0t n ASN 241 N -2.25 2.73 -0.12 1.62 4.13 0.13 -4.61 115.26 116.89 1t0t n ASN 241 Ca 0.01 -1.87 -0.11 0.00 1.68 0.00 0.00 54.58 54.29 1t0t n ASN 241 Cb 0.16 0.04 -0.02 0.00 -1.54 0.00 0.00 39.78 38.42 1t0t n ASN 241 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 1t0t h VAL 242 N 4.09 1.26 -0.55 2.41 2.07 -1.51 -1.44 116.25 122.59 1t0t h VAL 242 Ca 0.00 -1.01 0.02 0.00 0.82 0.00 0.00 66.70 66.53 1t0t h VAL 242 Cb 0.89 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 1t0t h VAL 242 CO 0.00 0.33 0.34 -1.28 0.02 0.00 0.00 177.57 176.98 1t0t h SER 243 N 0.44 0.56 -0.39 0.57 0.87 -1.81 -1.76 113.55 112.02 1t0t h SER 243 Ca 0.10 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.61 1t0t h SER 243 Cb 0.48 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.31 1t0t h SER 243 CO 0.02 0.39 0.05 0.28 -0.53 0.00 0.00 176.83 177.05 1t0t h SER 244 N 0.68 0.63 -0.74 6.23 0.02 -1.83 -2.08 113.55 116.45 1t0t h SER 244 Ca 0.22 -0.27 0.04 0.00 -0.84 0.00 0.00 61.79 60.94 1t0t h SER 244 Cb 0.00 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.33 1t0t h SER 244 CO -0.09 0.74 0.46 0.15 -1.14 0.00 0.00 176.83 176.95 1t0t h PHE 245 N 0.49 0.85 -0.28 3.45 3.57 -0.76 -2.14 116.94 122.13 1t0t h PHE 245 Ca 0.12 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1t0t h PHE 245 Cb 0.38 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.85 1t0t h PHE 245 CO 0.03 0.46 0.00 1.19 -2.23 0.00 0.00 178.31 177.76 1t0t n PHE 246 N -4.67 0.36 -2.24 0.41 3.72 -0.71 -4.89 117.46 109.45 1t0t n PHE 246 Ca 0.09 -0.18 -0.42 0.00 -0.05 0.00 0.00 57.45 56.88 1t0t n PHE 246 Cb 0.12 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.63 1t0t n PHE 246 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 1t0t s HIS 247 N -1.64 2.83 0.00 1.38 2.46 -0.79 -5.07 115.29 114.47 1t0t s HIS 247 Ca 0.33 0.82 0.00 0.00 0.47 0.00 0.00 55.06 56.68 1t0t s HIS 247 Cb 0.18 -3.65 0.00 0.00 -0.13 0.00 0.00 32.58 28.98 1t0t s HIS 247 CO 0.26 -2.40 0.16 1.33 -2.47 0.00 0.00 174.74 171.62