#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dwu s ASP 2 N 0.00 5.69 0.24 7.83 -4.77 -1.26 -4.98 116.67 119.41 1dwu s ASP 2 Ca 0.00 0.08 -0.15 0.00 -3.30 0.00 0.00 52.55 49.18 1dwu s ASP 2 Cb 0.00 -1.59 0.28 0.00 -1.09 0.00 0.00 42.92 40.52 1dwu s ASP 2 CO 0.00 0.20 1.57 -0.09 0.70 0.00 0.00 175.17 177.55 1dwu h ARG 3 N 3.52 -0.03 0.00 2.11 9.65 -1.99 -0.34 114.38 127.31 1dwu h ARG 3 Ca -0.47 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.40 1dwu h ARG 3 Cb 1.17 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.75 1dwu h ARG 3 CO 0.66 -0.02 -0.06 0.93 2.80 0.00 0.00 179.97 184.29 1dwu h GLU 4 N -0.03 0.00 0.00 0.20 4.39 -1.98 -0.51 114.58 116.65 1dwu h GLU 4 Ca 0.36 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.06 1dwu h GLU 4 Cb 0.62 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1dwu h GLU 4 CO -0.92 0.06 -1.00 0.09 -1.16 0.00 0.00 179.01 176.08 1dwu n ASN 5 N -3.43 0.62 -0.05 1.42 3.02 -0.18 -2.40 115.26 114.26 1dwu n ASN 5 Ca -0.02 -0.11 -0.16 0.00 -0.03 0.00 0.00 54.58 54.26 1dwu n ASN 5 Cb 0.19 0.71 -0.13 0.00 -0.61 0.00 0.00 39.78 39.94 1dwu n ASN 5 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1dwu h ILE 6 N 0.00 1.66 -1.01 2.41 2.04 -0.73 -3.15 117.51 118.73 1dwu h ILE 6 Ca 0.00 -2.36 0.23 0.00 1.00 0.00 0.00 64.86 63.73 1dwu h ILE 6 Cb 0.76 3.25 -0.10 0.00 -0.74 0.00 0.00 36.82 39.99 1dwu h ILE 6 CO 0.00 0.60 0.63 -0.07 0.00 0.00 0.00 178.15 179.31 1dwu h LEU 7 N -0.90 0.61 0.09 1.44 3.38 -1.28 -0.28 115.31 118.38 1dwu h LEU 7 Ca -0.06 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1dwu h LEU 7 Cb 1.13 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1dwu h LEU 7 CO 0.00 0.15 -0.05 0.50 0.09 0.00 0.00 178.44 179.14 1dwu h LYS 8 N 0.56 -0.12 0.00 1.13 3.64 -1.57 -2.59 116.57 117.62 1dwu h LYS 8 Ca 0.60 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.97 1dwu h LYS 8 Cb 1.22 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1dwu h LYS 8 CO -0.36 0.24 -0.09 0.00 -2.27 0.00 0.00 179.45 176.97 1dwu h ALA 9 N 0.35 1.12 -0.21 5.00 0.00 -1.24 -1.73 119.26 122.55 1dwu h ALA 9 Ca -0.01 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1dwu h ALA 9 Cb 0.42 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1dwu h ALA 9 CO 0.02 0.11 -0.30 0.28 0.00 0.00 0.00 179.25 179.36 1dwu h VAL 10 N 0.00 1.33 -0.11 0.00 2.07 -1.07 -2.77 116.25 115.69 1dwu h VAL 10 Ca -0.00 -1.50 -0.08 0.00 0.82 0.00 0.00 66.70 65.95 1dwu h VAL 10 Cb 0.40 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1dwu h VAL 10 CO 0.01 0.46 -0.27 0.11 0.02 0.00 0.00 177.57 177.90 1dwu h LYS 11 N 0.26 0.21 0.00 1.57 1.57 -0.93 -2.87 116.57 116.38 1dwu h LYS 11 Ca 0.02 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1dwu h LYS 11 Cb 0.87 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1dwu h LYS 11 CO 0.07 0.47 -0.16 0.93 -0.57 0.00 0.00 179.45 180.19 1dwu h GLU 12 N 0.19 0.00 0.15 3.15 5.08 -1.35 -2.78 114.58 119.02 1dwu h GLU 12 Ca 0.03 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.07 1dwu h GLU 12 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1dwu h GLU 12 CO 0.04 0.00 -1.55 0.00 -1.00 0.00 0.00 179.01 176.50 1dwu h ALA 13 N 2.29 0.18 -0.01 3.43 0.00 -1.40 -3.01 119.26 120.75 1dwu h ALA 13 Ca 0.00 -1.07 -0.00 0.00 0.00 0.00 0.00 54.91 53.84 1dwu h ALA 13 Cb 0.86 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1dwu h ALA 13 CO 0.00 1.05 -0.00 0.00 0.00 0.00 0.00 179.25 180.29 1dwu h ARG 14 N 0.09 0.02 -0.34 0.00 3.08 -1.52 -2.67 114.38 113.03 1dwu h ARG 14 Ca -0.26 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 59.75 1dwu h ARG 14 Cb 2.05 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 32.08 1dwu h ARG 14 CO 0.18 0.42 0.08 0.77 -1.07 0.00 0.00 179.97 180.35 1dwu h SER 15 N -0.39 0.45 0.88 7.04 0.02 -1.65 -1.83 113.55 118.08 1dwu h SER 15 Ca 0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1dwu h SER 15 Cb 0.42 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1dwu h SER 15 CO 0.00 0.46 -0.22 0.18 -1.14 0.00 0.00 176.83 176.11 1dwu n LEU 16 N -4.35 0.32 -4.55 5.07 4.77 -1.14 -4.80 117.00 112.33 1dwu n LEU 16 Ca 0.02 0.32 -0.43 0.00 -0.03 0.00 0.00 56.01 55.89 1dwu n LEU 16 Cb 0.18 -0.37 -0.06 0.00 -2.33 0.00 0.00 43.42 40.85 1dwu n LEU 16 CO 0.37 0.01 0.54 0.00 -1.33 0.00 0.00 177.39 176.99 1dwu s ALA 17 N -3.03 3.33 0.04 -1.18 0.00 -0.69 -4.39 121.76 115.84 1dwu s ALA 17 Ca 0.12 -0.94 -0.30 0.00 0.00 0.00 0.00 51.96 50.83 1dwu s ALA 17 Cb 0.17 -3.42 -0.08 0.00 0.00 0.00 0.00 23.12 19.79 1dwu s ALA 17 CO 0.61 -1.80 1.69 0.21 0.00 0.00 0.00 175.76 176.47 1dwu s LYS 18 N 3.19 4.19 0.34 0.00 2.20 -1.26 -4.92 119.74 123.47 1dwu s LYS 18 Ca 0.29 2.33 -0.29 0.00 -0.36 0.00 0.00 55.97 57.95 1dwu s LYS 18 Cb -0.13 -3.74 -0.11 0.00 -1.51 0.00 0.00 37.83 32.35 1dwu s LYS 18 CO 0.21 -0.78 1.49 -1.25 -0.36 0.00 0.00 175.35 174.65 1dwu s PRO 19 N 3.13 4.16 0.38 4.03 0.04 -1.26 -4.89 135.00 140.59 1dwu s PRO 19 Ca 0.75 2.50 0.06 0.00 0.04 0.00 0.00 61.00 64.36 1dwu s PRO 19 Cb -0.39 -3.01 -0.07 0.00 0.04 0.00 0.00 34.50 31.07 1dwu s PRO 19 CO 0.33 -0.50 0.01 1.03 0.04 0.00 0.00 177.00 177.90 1dwu s ARG 20 N -1.47 1.85 -0.02 4.56 3.00 -1.26 -5.04 118.95 120.58 1dwu s ARG 20 Ca 0.56 -2.03 0.00 0.00 0.00 0.00 0.00 55.73 54.26 1dwu s ARG 20 Cb -0.45 -1.44 0.03 0.00 0.00 0.00 0.00 34.95 33.08 1dwu s ARG 20 CO 0.56 -0.06 1.01 0.27 0.00 0.00 0.00 175.30 177.08 1dwu n ASN 21 N -0.86 2.95 -3.47 0.23 6.94 -1.26 -4.76 115.26 115.03 1dwu n ASN 21 Ca -0.04 -2.06 -0.14 0.00 -0.02 0.00 0.00 54.58 52.32 1dwu n ASN 21 Cb 0.66 -0.51 -0.03 0.00 -2.36 0.00 0.00 39.78 37.54 1dwu n ASN 21 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 1dwu s PHE 22 N -0.16 -0.54 -0.58 -2.53 -0.71 -1.26 -5.11 117.98 107.09 1dwu s PHE 22 Ca 0.02 0.51 -0.27 0.00 -1.04 0.00 0.00 56.93 56.16 1dwu s PHE 22 Cb 0.02 0.49 0.03 0.00 -1.21 0.00 0.00 43.02 42.35 1dwu s PHE 22 CO 0.00 -0.76 1.11 0.95 -1.34 0.00 0.00 175.22 175.18 1dwu s THR 23 N -3.01 4.13 0.36 -4.49 -4.23 -1.26 -4.99 115.64 102.16 1dwu s THR 23 Ca -0.02 0.65 -0.28 0.00 -1.18 0.00 0.00 61.69 60.86 1dwu s THR 23 Cb -0.01 -4.67 -0.10 0.00 1.34 0.00 0.00 72.50 69.06 1dwu s THR 23 CO -0.06 -1.29 1.37 -1.10 -0.54 0.00 0.00 174.62 172.99 1dwu s GLN 24 N 4.63 4.18 0.08 3.99 -0.21 -1.26 -4.86 119.66 126.21 1dwu s GLN 24 Ca 0.38 2.32 0.03 0.00 0.02 0.00 0.00 55.36 58.11 1dwu s GLN 24 Cb -0.09 -2.96 -0.04 0.00 1.00 0.00 0.00 33.01 30.92 1dwu s GLN 24 CO 0.23 -0.38 0.08 -1.54 -2.12 0.00 0.00 175.29 171.56 1dwu s SER 25 N -0.43 5.54 -0.36 5.90 1.04 -1.26 -1.70 113.70 122.42 1dwu s SER 25 Ca 0.52 -0.00 -0.25 0.00 0.48 0.00 0.00 55.95 56.70 1dwu s SER 25 Cb -0.42 -1.49 0.01 0.00 0.10 0.00 0.00 66.02 64.23 1dwu s SER 25 CO 0.55 0.17 0.89 -0.22 0.98 0.00 0.00 173.24 175.62 1dwu s LEU 26 N -2.37 4.03 0.00 2.42 2.96 0.18 -1.38 118.68 124.52 1dwu s LEU 26 Ca 0.29 0.55 -0.08 0.00 -0.22 0.00 0.00 54.13 54.67 1dwu s LEU 26 Cb -0.12 -3.21 -0.05 0.00 0.50 0.00 0.00 46.19 43.31 1dwu s LEU 26 CO 0.22 -0.82 0.29 -0.62 -1.32 0.00 0.00 176.35 174.10 1dwu s ASP 27 N 1.85 6.55 -0.25 3.68 2.15 0.11 -0.78 116.67 129.99 1dwu s ASP 27 Ca 0.37 0.64 -0.04 0.00 0.43 0.00 0.00 52.55 53.94 1dwu s ASP 27 Cb -0.12 -2.12 0.00 0.00 -0.30 0.00 0.00 42.92 40.38 1dwu s ASP 27 CO 0.18 0.27 -0.01 -0.22 -0.17 0.00 0.00 175.17 175.22 1dwu s LEU 28 N -1.60 3.26 -0.37 -1.34 2.96 -0.61 -0.94 118.68 120.04 1dwu s LEU 28 Ca 0.26 -0.57 -0.11 0.00 -0.22 0.00 0.00 54.13 53.49 1dwu s LEU 28 Cb -0.14 -1.77 0.02 0.00 0.50 0.00 0.00 46.19 44.80 1dwu s LEU 28 CO 0.14 -0.09 0.21 -0.63 -1.32 0.00 0.00 176.35 174.66 1dwu s ILE 29 N 1.46 4.67 -0.22 6.68 1.01 -0.40 -2.84 121.20 131.56 1dwu s ILE 29 Ca 0.04 -0.76 -0.10 0.00 0.00 0.00 0.00 60.65 59.83 1dwu s ILE 29 Cb -0.16 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.70 1dwu s ILE 29 CO -0.02 -0.20 0.13 -0.63 0.00 0.00 0.00 174.94 174.23 1dwu s ILE 30 N 1.58 5.29 -0.36 2.92 -1.09 -0.37 -1.05 121.20 128.12 1dwu s ILE 30 Ca 0.03 0.15 -0.12 0.00 -2.23 0.00 0.00 60.65 58.48 1dwu s ILE 30 Cb -0.19 -3.44 0.01 0.00 -1.58 0.00 0.00 42.46 37.27 1dwu s ILE 30 CO 0.07 0.40 0.22 0.20 -1.23 0.00 0.00 174.94 174.59 1dwu s ASN 31 N 0.70 5.81 0.12 3.58 0.01 -0.70 -2.16 114.94 122.31 1dwu s ASN 31 Ca 0.07 -0.75 -0.25 0.00 -0.71 0.00 0.00 52.86 51.22 1dwu s ASN 31 Cb -0.12 -2.06 -0.07 0.00 0.41 0.00 0.00 41.25 39.40 1dwu s ASN 31 CO 0.01 -0.32 0.77 -0.76 -1.51 0.00 0.00 177.10 175.29 1dwu s LEU 32 N 1.62 4.54 -0.00 0.60 1.43 0.66 -0.52 118.68 127.01 1dwu s LEU 32 Ca 0.04 1.57 0.06 0.00 -1.03 0.00 0.00 54.13 54.76 1dwu s LEU 32 Cb -0.18 -3.26 -0.02 0.00 0.03 0.00 0.00 46.19 42.76 1dwu s LEU 32 CO 0.08 0.15 -0.18 -0.75 0.23 0.00 0.00 176.35 175.88 1dwu s LYS 33 N -0.77 1.39 -0.51 1.70 2.36 0.54 -4.77 119.74 119.66 1dwu s LYS 33 Ca 0.36 -0.68 -0.19 0.00 -2.55 0.00 0.00 55.97 52.91 1dwu s LYS 33 Cb -0.22 -1.37 0.03 0.00 -1.05 0.00 0.00 37.83 35.22 1dwu s LYS 33 CO 0.25 0.37 0.63 0.39 1.55 0.00 0.00 175.35 178.54 1dwu n GLU 34 N 2.48 -2.04 -3.57 4.03 1.02 -1.26 -4.42 120.64 116.88 1dwu n GLU 34 Ca -0.15 1.72 -0.17 0.00 -0.02 0.00 0.00 57.16 58.54 1dwu n GLU 34 Cb 0.54 -4.36 -0.07 0.00 -0.02 0.00 0.00 31.44 27.53 1dwu n GLU 34 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1dwu s LEU 35 N -2.96 -0.51 -0.55 -4.62 1.43 -1.26 -4.93 118.68 105.28 1dwu s LEU 35 Ca 0.23 0.84 -0.09 0.00 -1.03 0.00 0.00 54.13 54.09 1dwu s LEU 35 Cb -0.05 2.37 0.14 0.00 0.03 0.00 0.00 46.19 48.69 1dwu s LEU 35 CO 0.81 -0.50 0.42 -0.62 0.23 0.00 0.00 176.35 176.69 1dwu s ASP 36 N -0.79 5.75 0.00 2.29 2.15 -1.26 -4.90 116.67 119.91 1dwu s ASP 36 Ca -0.08 -2.19 0.08 0.00 0.43 0.00 0.00 52.55 50.78 1dwu s ASP 36 Cb -0.02 -2.01 0.46 0.00 -0.30 0.00 0.00 42.92 41.06 1dwu s ASP 36 CO 0.07 -0.62 1.30 0.18 -0.17 0.00 0.00 175.17 175.93 1dwu n LEU 37 N 4.52 0.08 0.14 -1.34 7.99 -1.26 -1.74 117.00 125.39 1dwu n LEU 37 Ca -0.02 -0.04 0.12 0.00 -0.01 0.00 0.00 56.01 56.06 1dwu n LEU 37 Cb 0.41 -0.01 0.06 0.00 -0.11 0.00 0.00 43.42 43.78 1dwu n LEU 37 CO 0.40 0.02 0.29 0.77 -1.51 0.00 0.00 177.39 177.35 1dwu h SER 38 N 0.09 0.00 -3.57 -1.43 4.64 -1.93 -3.42 113.55 107.93 1dwu h SER 38 Ca 0.00 -0.01 -0.61 0.00 -0.47 0.00 0.00 61.79 60.70 1dwu h SER 38 Cb 0.02 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 61.99 1dwu h SER 38 CO 0.00 0.00 -0.13 -0.13 -0.87 0.00 0.00 176.83 175.70 1dwu s ARG 39 N -3.31 4.10 0.63 4.77 0.52 -0.71 -4.97 118.95 119.99 1dwu s ARG 39 Ca 0.02 0.22 0.40 0.00 -0.52 0.00 0.00 55.73 55.86 1dwu s ARG 39 Cb 0.08 -3.60 2.15 0.00 0.52 0.00 0.00 34.95 34.10 1dwu s ARG 39 CO 0.75 -0.21 2.29 -1.00 0.02 0.00 0.00 175.30 177.15 1dwu h PRO 40 N 7.78 0.00 0.00 3.54 0.13 -1.83 -2.04 132.00 139.58 1dwu h PRO 40 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1dwu h PRO 40 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1dwu h PRO 40 CO 0.70 0.01 0.00 0.93 -0.23 0.00 0.00 178.00 179.41 1dwu h GLU 41 N 0.00 0.00 -0.01 0.86 3.07 -1.93 -2.59 114.58 113.98 1dwu h GLU 41 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1dwu h GLU 41 Cb 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.01 1dwu h GLU 41 CO 0.00 0.00 -0.50 0.09 -1.40 0.00 0.00 179.01 177.20 1dwu n ASN 42 N -3.08 1.51 -4.64 1.42 3.02 -0.77 -4.91 115.26 107.81 1dwu n ASN 42 Ca -0.00 -1.19 -0.42 0.00 -0.03 0.00 0.00 54.58 52.93 1dwu n ASN 42 Cb 0.25 0.45 -0.03 0.00 -0.61 0.00 0.00 39.78 39.85 1dwu n ASN 42 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1dwu s ARG 43 N -2.60 4.16 0.13 3.52 0.52 -0.98 -4.91 118.95 118.79 1dwu s ARG 43 Ca 0.18 1.05 -0.29 0.00 -0.52 0.00 0.00 55.73 56.14 1dwu s ARG 43 Cb 0.18 -3.67 -0.06 0.00 0.52 0.00 0.00 34.95 31.92 1dwu s ARG 43 CO 0.61 -0.64 0.92 -1.17 0.02 0.00 0.00 175.30 175.04 1dwu s LEU 44 N 3.11 4.53 -0.50 2.53 2.96 -1.26 -4.95 118.68 125.09 1dwu s LEU 44 Ca 0.39 1.76 0.07 0.00 -0.22 0.00 0.00 54.13 56.13 1dwu s LEU 44 Cb -0.14 -3.52 0.20 0.00 0.50 0.00 0.00 46.19 43.22 1dwu s LEU 44 CO 0.09 0.00 0.71 1.17 -1.32 0.00 0.00 176.35 177.01 1dwu n LYS 45 N 2.48 0.55 -4.40 1.98 3.00 -1.25 -1.37 118.16 119.15 1dwu n LYS 45 Ca 0.00 -2.13 -0.25 0.00 -0.00 0.00 0.00 58.31 55.93 1dwu n LYS 45 Cb 0.49 -1.48 -0.11 0.00 0.00 0.00 0.00 35.03 33.92 1dwu n LYS 45 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1dwu s GLU 46 N 0.70 1.47 -0.40 1.64 8.01 -0.83 -4.94 118.70 124.35 1dwu s GLU 46 Ca 0.31 -1.52 -0.15 0.00 0.01 0.00 0.00 54.97 53.62 1dwu s GLU 46 Cb 0.05 -1.69 0.01 0.00 -4.31 0.00 0.00 34.13 28.20 1dwu s GLU 46 CO -0.10 0.35 0.31 -0.65 0.01 0.00 0.00 175.26 175.18 1dwu s GLN 47 N -2.80 3.06 -0.21 1.61 -0.21 -1.26 -0.09 119.66 119.76 1dwu s GLN 47 Ca 0.20 -0.93 -0.08 0.00 0.02 0.00 0.00 55.36 54.57 1dwu s GLN 47 Cb -0.07 -3.95 -0.04 0.00 1.00 0.00 0.00 33.01 29.95 1dwu s GLN 47 CO 0.09 -0.72 0.07 0.08 -2.12 0.00 0.00 175.29 172.70 1dwu s VAL 48 N 1.74 4.66 -0.71 1.09 1.01 -0.75 -4.93 120.40 122.51 1dwu s VAL 48 Ca 0.06 -0.07 -0.24 0.00 0.00 0.00 0.00 61.98 61.73 1dwu s VAL 48 Cb -0.19 -3.14 0.05 0.00 0.00 0.00 0.00 36.38 33.11 1dwu s VAL 48 CO 0.10 0.40 1.12 -0.69 0.00 0.00 0.00 175.10 176.03 1dwu s VAL 49 N 0.89 4.06 0.26 2.92 1.01 -1.26 -1.56 120.40 126.73 1dwu s VAL 49 Ca 0.04 -0.06 -0.31 0.00 0.00 0.00 0.00 61.98 61.66 1dwu s VAL 49 Cb -0.14 -4.80 -0.13 0.00 0.00 0.00 0.00 36.38 31.32 1dwu s VAL 49 CO 0.03 -1.65 1.43 0.18 0.00 0.00 0.00 175.10 175.09 1dwu n LEU 50 N 8.45 3.41 -0.12 3.92 4.77 -0.09 -4.94 117.00 132.39 1dwu n LEU 50 Ca 0.01 1.15 -0.09 0.00 -0.03 0.00 0.00 56.01 57.04 1dwu n LEU 50 Cb 0.47 -1.47 -0.01 0.00 -2.33 0.00 0.00 43.42 40.08 1dwu n LEU 50 CO 0.67 -0.36 0.91 1.55 -1.33 0.00 0.00 177.39 178.83 1dwu h PRO 51 N 4.15 0.55 -0.63 3.23 0.13 -1.88 -3.16 132.00 134.39 1dwu h PRO 51 Ca -0.46 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 1dwu h PRO 51 Cb 1.27 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1dwu h PRO 51 CO 0.75 0.54 0.00 0.09 -0.23 0.00 0.00 178.00 179.15 1dwu n ASN 52 N -4.67 2.77 -0.06 1.44 3.02 -1.26 -5.07 115.26 111.43 1dwu n ASN 52 Ca -0.01 -2.28 0.00 0.00 -0.03 0.00 0.00 54.58 52.26 1dwu n ASN 52 Cb 0.14 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 1dwu n ASN 52 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dwu n GLY 53 N 0.59 -1.83 0.78 7.41 0.00 -1.19 -4.75 105.19 106.19 1dwu n GLY 53 Ca 0.13 -1.36 0.05 0.00 0.00 0.00 0.00 46.02 44.83 1dwu n GLY 53 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1dwu n ARG 54 N -0.11 0.65 0.00 1.61 1.85 -1.26 -4.76 116.66 114.63 1dwu n ARG 54 Ca 0.00 -2.23 0.00 0.00 -1.00 0.00 0.00 57.85 54.62 1dwu n ARG 54 Cb 0.00 -0.81 0.00 0.00 -1.05 0.00 0.00 32.46 30.60 1dwu n ARG 54 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1dwu n GLY 55 N -0.39 1.38 3.75 2.89 0.00 -1.26 -4.43 105.19 107.13 1dwu n GLY 55 Ca 0.10 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 45.16 1dwu n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dwu s LYS 56 N 0.00 4.81 0.45 1.61 -0.14 -1.26 -5.00 119.74 120.22 1dwu s LYS 56 Ca 0.00 1.44 -0.25 0.00 -1.36 0.00 0.00 55.97 55.80 1dwu s LYS 56 Cb 0.00 -3.24 -0.08 0.00 -1.68 0.00 0.00 37.83 32.82 1dwu s LYS 56 CO 0.00 0.51 1.43 0.39 -0.76 0.00 0.00 175.35 176.92 1dwu n GLU 57 N 1.43 2.23 -3.01 1.68 4.71 -1.26 -5.01 120.64 121.42 1dwu n GLU 57 Ca -0.02 0.80 -0.33 0.00 -0.01 0.00 0.00 57.16 57.60 1dwu n GLU 57 Cb 0.47 -2.63 -0.06 0.00 -1.01 0.00 0.00 31.44 28.21 1dwu n GLU 57 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1dwu s PRO 58 N -2.46 4.11 0.02 3.49 0.05 -1.26 -5.04 135.00 133.91 1dwu s PRO 58 Ca 0.61 0.86 -0.30 0.00 0.05 0.00 0.00 61.00 62.23 1dwu s PRO 58 Cb -0.45 -2.35 -0.04 0.00 0.05 0.00 0.00 34.50 31.71 1dwu s PRO 58 CO 0.57 0.09 0.98 0.15 0.05 0.00 0.00 177.00 178.85 1dwu s LYS 59 N -3.01 4.58 -0.11 4.56 1.02 -1.26 -4.91 119.74 120.61 1dwu s LYS 59 Ca 0.57 1.44 0.02 0.00 0.02 0.00 0.00 55.97 58.02 1dwu s LYS 59 Cb -0.10 -3.44 -0.01 0.00 -0.52 0.00 0.00 37.83 33.76 1dwu s LYS 59 CO 0.16 -0.01 -0.19 0.42 -0.92 0.00 0.00 175.35 174.80 1dwu s ILE 60 N 0.84 2.49 -0.09 2.17 1.01 -1.26 -1.08 121.20 125.29 1dwu s ILE 60 Ca 0.51 -0.86 -0.01 0.00 0.00 0.00 0.00 60.65 60.29 1dwu s ILE 60 Cb -0.22 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.22 1dwu s ILE 60 CO 0.28 0.54 -0.04 0.00 0.00 0.00 0.00 174.94 175.73 1dwu s ALA 61 N 0.35 3.09 -0.27 9.38 0.00 -0.70 -3.12 121.76 130.50 1dwu s ALA 61 Ca -0.15 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 50.96 1dwu s ALA 61 Cb -0.17 -1.36 0.05 0.00 0.00 0.00 0.00 23.12 21.63 1dwu s ALA 61 CO 0.07 0.53 -0.06 0.08 0.00 0.00 0.00 175.76 176.38 1dwu s VAL 62 N -0.68 2.59 -0.68 0.00 1.01 0.20 -1.26 120.40 121.58 1dwu s VAL 62 Ca 0.10 -1.43 -0.18 0.00 0.00 0.00 0.00 61.98 60.47 1dwu s VAL 62 Cb -0.12 -2.46 0.12 0.00 0.00 0.00 0.00 36.38 33.92 1dwu s VAL 62 CO 0.02 -0.01 0.79 -0.63 0.00 0.00 0.00 175.10 175.28 1dwu s ILE 63 N 1.20 4.87 0.00 2.22 1.01 -0.01 -1.91 121.20 128.58 1dwu s ILE 63 Ca -0.06 -1.23 0.00 0.00 0.00 0.00 0.00 60.65 59.36 1dwu s ILE 63 Cb -0.19 -4.55 0.00 0.00 0.01 0.00 0.00 42.46 37.73 1dwu s ILE 63 CO -0.04 -1.20 0.00 0.00 0.00 0.00 0.00 174.94 173.71 1dwu n ALA 64 N 6.16 0.00 -3.71 9.38 0.00 -0.87 -1.38 120.51 130.10 1dwu n ALA 64 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.34 1dwu n ALA 64 Cb 0.44 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.87 1dwu n ALA 64 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1dwu s LYS 65 N -0.55 1.61 2.31 0.00 0.00 -1.26 -3.99 119.74 117.87 1dwu s LYS 65 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 55.97 55.16 1dwu s LYS 65 Cb 0.00 0.60 0.00 0.00 0.00 0.00 0.00 37.83 38.43 1dwu s LYS 65 CO 0.00 -0.73 0.00 0.41 0.00 0.00 0.00 175.35 175.03 1dwu n GLY 66 N -0.43 -0.84 0.37 0.59 0.00 -1.26 -3.71 105.19 99.90 1dwu n GLY 66 Ca -0.08 -1.18 0.11 0.00 0.00 0.00 0.00 46.02 44.86 1dwu n GLY 66 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1dwu h ASP 67 N 0.57 0.63 -0.10 1.61 5.19 -1.98 0.27 116.42 122.61 1dwu h ASP 67 Ca 0.00 0.03 -0.09 0.00 -0.62 0.00 0.00 57.03 56.34 1dwu h ASP 67 Cb 0.00 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.39 1dwu h ASP 67 CO 0.00 0.35 -0.23 0.25 -3.12 0.00 0.00 179.24 176.50 1dwu h LEU 68 N 0.68 0.53 0.00 1.55 5.85 -1.76 0.24 115.31 122.40 1dwu h LEU 68 Ca 0.40 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1dwu h LEU 68 Cb 0.59 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1dwu h LEU 68 CO -0.16 0.75 -0.42 0.00 -0.34 0.00 0.00 178.44 178.27 1dwu h ALA 69 N 1.29 0.75 -0.09 1.25 0.00 -1.10 -2.97 119.26 118.39 1dwu h ALA 69 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 1dwu h ALA 69 Cb 0.65 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1dwu h ALA 69 CO 0.05 0.00 -0.66 0.00 0.00 0.00 0.00 179.25 178.64 1dwu h ALA 70 N 2.27 0.70 -0.23 0.00 0.00 -0.27 -2.97 119.26 118.76 1dwu h ALA 70 Ca 0.00 -0.57 -0.20 0.00 0.00 0.00 0.00 54.91 54.14 1dwu h ALA 70 Cb 0.86 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1dwu h ALA 70 CO 0.00 0.74 -0.63 1.96 0.00 0.00 0.00 179.25 181.32 1dwu h GLN 71 N 0.26 0.84 -0.15 0.00 4.20 -0.95 -3.05 115.11 116.26 1dwu h GLN 71 Ca -0.02 -0.59 -0.15 0.00 0.06 0.00 0.00 58.65 57.96 1dwu h GLN 71 Cb 1.20 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 29.07 1dwu h GLN 71 CO 0.11 1.21 -0.53 0.00 -0.67 0.00 0.00 178.83 178.95 1dwu h ALA 72 N 0.62 0.81 -0.64 3.87 0.00 -1.55 -0.19 119.26 122.20 1dwu h ALA 72 Ca -0.01 -0.50 -0.07 0.00 0.00 0.00 0.00 54.91 54.33 1dwu h ALA 72 Cb 1.25 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1dwu h ALA 72 CO 0.14 0.68 0.13 0.93 0.00 0.00 0.00 179.25 181.13 1dwu h GLU 73 N 0.33 1.01 -0.80 0.00 5.08 -1.61 0.18 114.58 118.76 1dwu h GLU 73 Ca 0.01 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.10 1dwu h GLU 73 Cb 1.04 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 30.12 1dwu h GLU 73 CO 0.09 0.91 0.40 0.93 -1.00 0.00 0.00 179.01 180.35 1dwu h GLU 74 N 0.96 1.15 0.00 2.33 4.39 -1.37 -0.82 114.58 121.21 1dwu h GLU 74 Ca 0.20 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1dwu h GLU 74 Cb 0.37 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1dwu h GLU 74 CO 0.00 0.87 0.00 -1.33 -1.16 0.00 0.00 179.01 177.40 1dwu n MET 75 N -4.37 0.01 -0.58 2.33 2.81 -0.11 -4.88 117.12 112.33 1dwu n MET 75 Ca 0.08 0.08 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 1dwu n MET 75 Cb 0.12 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.13 1dwu n MET 75 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1dwu n GLY 76 N 0.99 0.70 3.81 3.03 0.00 -0.31 -5.06 105.19 108.35 1dwu n GLY 76 Ca 0.06 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 1dwu n GLY 76 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dwu s LEU 77 N 0.00 3.42 -0.20 0.99 1.43 0.55 -4.99 118.68 119.89 1dwu s LEU 77 Ca 0.00 1.73 -0.29 0.00 -1.03 0.00 0.00 54.13 54.54 1dwu s LEU 77 Cb 0.00 -4.52 -0.03 0.00 0.03 0.00 0.00 46.19 41.68 1dwu s LEU 77 CO 0.00 -1.15 1.54 -0.89 0.23 0.00 0.00 176.35 176.08 1dwu s THR 78 N -2.63 3.80 -0.19 5.49 2.01 -1.18 -4.27 115.64 118.66 1dwu s THR 78 Ca 0.61 0.92 -0.05 0.00 0.31 0.00 0.00 61.69 63.48 1dwu s THR 78 Cb -0.15 -3.76 -0.03 0.00 0.01 0.00 0.00 72.50 68.57 1dwu s THR 78 CO 0.41 -0.27 0.01 -0.69 -0.69 0.00 0.00 174.62 173.39 1dwu s VAL 79 N 4.76 4.09 -0.41 3.82 1.01 -1.26 -0.63 120.40 131.78 1dwu s VAL 79 Ca 0.68 -0.27 -0.05 0.00 0.00 0.00 0.00 61.98 62.34 1dwu s VAL 79 Cb -0.25 -2.85 0.10 0.00 0.00 0.00 0.00 36.38 33.39 1dwu s VAL 79 CO 0.27 0.44 0.22 -0.63 0.00 0.00 0.00 175.10 175.39 1dwu s ILE 80 N 0.85 3.61 0.81 2.22 1.01 -0.80 -4.98 121.20 123.92 1dwu s ILE 80 Ca 0.01 -1.80 -0.12 0.00 0.00 0.00 0.00 60.65 58.75 1dwu s ILE 80 Cb -0.14 -3.36 0.09 0.00 0.01 0.00 0.00 42.46 39.06 1dwu s ILE 80 CO 0.02 -0.60 1.18 -0.13 0.00 0.00 0.00 174.94 175.41 1dwu s ARG 81 N 1.25 1.86 0.31 2.79 0.52 -1.26 -2.04 118.95 122.39 1dwu s ARG 81 Ca 0.05 0.03 0.03 0.00 -0.52 0.00 0.00 55.73 55.33 1dwu s ARG 81 Cb -0.23 -1.96 0.63 0.00 0.52 0.00 0.00 34.95 33.91 1dwu s ARG 81 CO -0.02 -1.64 1.88 0.37 0.02 0.00 0.00 175.30 175.91 1dwu h GLN 82 N -1.07 0.89 -0.42 3.54 4.15 -1.98 -2.16 115.11 118.06 1dwu h GLN 82 Ca -0.46 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 58.88 1dwu h GLN 82 Cb 1.32 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 28.79 1dwu h GLN 82 CO 0.63 0.59 0.14 0.22 -1.93 0.00 0.00 178.83 178.48 1dwu h ASP 83 N 0.91 0.61 1.05 -0.69 3.58 -1.95 -1.90 116.42 118.04 1dwu h ASP 83 Ca 0.43 -0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.68 1dwu h ASP 83 Cb 0.43 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.32 1dwu h ASP 83 CO -0.19 0.65 0.00 -0.33 -2.88 0.00 0.00 179.24 176.48 1dwu h GLU 84 N 0.54 0.00 0.11 0.28 3.07 -1.86 -2.79 114.58 113.93 1dwu h GLU 84 Ca 0.14 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 58.73 1dwu h GLU 84 Cb 0.25 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.16 1dwu h GLU 84 CO -0.01 0.00 -1.21 1.25 -1.40 0.00 0.00 179.01 177.65 1dwu h LEU 85 N 0.00 0.36 -0.37 1.33 5.85 -0.72 -2.90 115.31 118.86 1dwu h LEU 85 Ca 0.00 -0.38 -0.07 0.00 0.84 0.00 0.00 57.88 58.27 1dwu h LEU 85 Cb 0.53 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1dwu h LEU 85 CO 0.00 1.30 -0.04 -0.33 -0.34 0.00 0.00 178.44 179.03 1dwu h GLU 86 N 0.06 0.68 -0.34 1.25 5.08 -1.12 -2.91 114.58 117.27 1dwu h GLU 86 Ca -0.12 -0.24 -0.11 0.00 -1.00 0.00 0.00 59.36 57.90 1dwu h GLU 86 Cb 1.94 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 31.13 1dwu h GLU 86 CO 0.19 0.81 -0.24 1.05 -1.00 0.00 0.00 179.01 179.82 1dwu h GLU 87 N 0.48 0.66 0.00 2.33 4.11 -1.61 -2.43 114.58 118.13 1dwu h GLU 87 Ca 0.10 -0.27 -0.00 0.00 0.07 0.00 0.00 59.36 59.26 1dwu h GLU 87 Cb 0.53 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1dwu h GLU 87 CO 0.03 0.85 -0.02 -0.07 0.07 0.00 0.00 179.01 179.86 1dwu h LEU 88 N 0.58 0.00 -0.52 3.06 3.38 -1.41 -1.15 115.31 119.24 1dwu h LEU 88 Ca 0.08 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 1dwu h LEU 88 Cb 0.72 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1dwu h LEU 88 CO 0.06 0.02 -0.30 1.23 0.09 0.00 0.00 178.44 179.53 1dwu h GLY 89 N 0.16 0.95 2.00 0.83 0.00 -1.24 -2.96 103.07 102.81 1dwu h GLY 89 Ca -0.00 -0.89 0.00 0.00 0.00 0.00 0.00 47.33 46.44 1dwu h GLY 89 CO 0.00 0.81 0.00 0.50 0.00 0.00 0.00 176.54 177.85 1dwu h LYS 90 N 0.74 0.00 -3.31 4.80 1.57 -1.27 -3.41 116.57 115.69 1dwu h LYS 90 Ca 0.08 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.22 1dwu h LYS 90 Cb 0.86 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.77 1dwu h LYS 90 CO 0.08 0.00 -0.56 1.21 -0.57 0.00 0.00 179.45 179.60 1dwu s ASN 91 N -5.59 4.63 0.62 0.86 3.84 -0.99 -4.95 114.94 113.36 1dwu s ASN 91 Ca 0.06 -3.29 0.39 0.00 0.21 0.00 0.00 52.86 50.23 1dwu s ASN 91 Cb 0.08 -1.67 2.00 0.00 -0.55 0.00 0.00 41.25 41.11 1dwu s ASN 91 CO 0.60 -0.20 2.23 0.50 -2.79 0.00 0.00 177.10 177.44 1dwu h LYS 92 N 6.19 0.00 -0.01 0.43 3.64 -1.81 -1.74 116.57 123.27 1dwu h LYS 92 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1dwu h LYS 92 Cb 0.85 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1dwu h LYS 92 CO 0.71 0.02 -0.01 -0.22 -2.27 0.00 0.00 179.45 177.67 1dwu h LYS 93 N 0.00 0.03 0.00 1.90 1.63 -1.92 -2.21 116.57 115.99 1dwu h LYS 93 Ca -0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1dwu h LYS 93 Cb 0.18 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.81 1dwu h LYS 93 CO 0.00 0.50 0.00 1.98 -3.45 0.00 0.00 179.45 178.48 1dwu h MET 94 N -0.44 0.00 0.19 1.90 4.05 -1.83 -2.99 114.93 115.79 1dwu h MET 94 Ca 0.00 0.00 -0.30 0.00 -0.28 0.00 0.00 59.70 59.13 1dwu h MET 94 Cb 0.49 0.00 0.02 0.00 -0.80 0.00 0.00 31.60 31.31 1dwu h MET 94 CO 0.00 0.00 -1.39 0.00 0.23 0.00 0.00 176.91 175.75 1dwu h ALA 95 N 2.05 0.00 0.00 0.39 0.00 -1.26 -2.97 119.26 117.47 1dwu h ALA 95 Ca 0.00 -0.94 -0.02 0.00 0.00 0.00 0.00 54.91 53.95 1dwu h ALA 95 Cb 0.63 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1dwu h ALA 95 CO 0.00 0.73 -0.09 0.87 0.00 0.00 0.00 179.25 180.76 1dwu h LYS 96 N -0.07 0.00 -0.03 0.00 1.57 -1.39 -2.96 116.57 113.70 1dwu h LYS 96 Ca -0.26 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.34 1dwu h LYS 96 Cb 1.95 0.00 0.01 0.00 0.08 0.00 0.00 32.23 34.27 1dwu h LYS 96 CO 0.18 0.09 -0.66 -0.22 -0.57 0.00 0.00 179.45 178.28 1dwu h LYS 97 N 0.00 0.49 -0.45 3.15 3.64 -1.54 -2.00 116.57 119.87 1dwu h LYS 97 Ca -0.00 -0.49 -0.08 0.00 -1.27 0.00 0.00 60.65 58.80 1dwu h LYS 97 Cb 0.38 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 1dwu h LYS 97 CO 0.01 1.13 -0.06 0.82 -2.27 0.00 0.00 179.45 179.09 1dwu h ILE 98 N 0.04 1.25 0.24 2.00 1.08 -1.45 -1.68 117.51 118.99 1dwu h ILE 98 Ca -0.07 -1.08 -0.01 0.00 -0.39 0.00 0.00 64.86 63.30 1dwu h ILE 98 Cb 1.34 0.97 0.00 0.00 -3.07 0.00 0.00 36.82 36.06 1dwu h ILE 98 CO 0.13 0.37 -0.11 0.00 -0.69 0.00 0.00 178.15 177.85 1dwu h ALA 99 N 1.22 -0.32 0.00 1.87 0.00 -1.56 -2.22 119.26 118.25 1dwu h ALA 99 Ca 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1dwu h ALA 99 Cb 0.52 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1dwu h ALA 99 CO 0.03 -0.54 0.00 0.09 0.00 0.00 0.00 179.25 178.83 1dwu n ASN 100 N -5.11 0.48 0.05 0.00 3.02 -0.75 -3.03 115.26 109.92 1dwu n ASN 100 Ca -0.09 0.61 0.11 0.00 -0.03 0.00 0.00 54.58 55.18 1dwu n ASN 100 Cb 0.23 -0.71 -0.05 0.00 -0.61 0.00 0.00 39.78 38.63 1dwu n ASN 100 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1dwu n GLU 101 N -2.02 0.57 -4.53 3.52 1.02 -0.63 -4.94 120.64 113.62 1dwu n GLU 101 Ca 0.03 -0.01 -0.33 0.00 -0.02 0.00 0.00 57.16 56.83 1dwu n GLU 101 Cb 0.24 -1.68 -0.11 0.00 -0.02 0.00 0.00 31.44 29.87 1dwu n GLU 101 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1dwu s HIS 102 N -3.39 2.92 -0.14 -0.32 3.76 -0.85 -4.76 115.29 112.52 1dwu s HIS 102 Ca -0.02 -0.00 -0.24 0.00 -0.15 0.00 0.00 55.06 54.64 1dwu s HIS 102 Cb 0.12 -1.66 -0.26 0.00 1.11 0.00 0.00 32.58 31.89 1dwu s HIS 102 CO 0.83 0.36 0.64 -0.44 -0.85 0.00 0.00 174.74 175.27 1dwu h ASP 103 N 4.87 0.13 -4.27 1.40 3.32 -1.39 -3.47 116.42 117.02 1dwu h ASP 103 Ca -0.49 -0.86 -0.66 0.00 0.02 0.00 0.00 57.03 55.04 1dwu h ASP 103 Cb 1.17 -0.04 -0.26 0.00 0.22 0.00 0.00 39.33 40.42 1dwu h ASP 103 CO 0.53 1.26 -0.87 -0.36 -1.72 0.00 0.00 179.24 178.08 1dwu s PHE 104 N -2.32 2.19 -0.00 4.55 0.08 -1.05 -4.91 117.98 116.51 1dwu s PHE 104 Ca -0.20 -0.40 0.08 0.00 0.12 0.00 0.00 56.93 56.53 1dwu s PHE 104 Cb 0.01 -1.30 -0.02 0.00 -0.57 0.00 0.00 43.02 41.14 1dwu s PHE 104 CO 0.70 0.13 -0.26 -0.06 -0.10 0.00 0.00 175.22 175.64 1dwu s PHE 105 N -0.83 2.31 -0.07 0.36 0.40 -1.26 -1.71 117.98 117.18 1dwu s PHE 105 Ca 0.11 -0.43 0.03 0.00 -0.60 0.00 0.00 56.93 56.04 1dwu s PHE 105 Cb -0.10 -1.46 0.01 0.00 0.51 0.00 0.00 43.02 41.98 1dwu s PHE 105 CO 0.02 0.01 -0.15 0.42 0.70 0.00 0.00 175.22 176.22 1dwu s ILE 106 N -0.66 1.30 0.16 0.64 1.01 -0.39 -0.95 121.20 122.31 1dwu s ILE 106 Ca 0.10 -0.59 0.10 0.00 0.00 0.00 0.00 60.65 60.27 1dwu s ILE 106 Cb -0.10 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.16 1dwu s ILE 106 CO -0.00 0.39 -0.23 0.00 0.00 0.00 0.00 174.94 175.10 1dwu s ALA 107 N 0.51 2.29 0.31 9.38 0.00 -0.35 -0.83 121.76 133.06 1dwu s ALA 107 Ca -0.13 -1.52 -0.29 0.00 0.00 0.00 0.00 51.96 50.02 1dwu s ALA 107 Cb -0.15 -0.30 -0.10 0.00 0.00 0.00 0.00 23.12 22.57 1dwu s ALA 107 CO 0.04 0.40 1.20 -1.14 0.00 0.00 0.00 175.76 176.26 1dwu s GLN 108 N -2.46 4.50 0.17 0.00 0.74 -0.48 -2.20 119.66 119.93 1dwu s GLN 108 Ca 0.16 2.00 -0.27 0.00 0.05 0.00 0.00 55.36 57.30 1dwu s GLN 108 Cb -0.08 -3.13 0.02 0.00 1.10 0.00 0.00 33.01 30.92 1dwu s GLN 108 CO 0.08 0.02 1.56 0.00 -0.55 0.00 0.00 175.29 176.39 1dwu h ALA 109 N 3.59 -0.39 0.00 1.58 0.00 -1.61 -1.70 119.26 120.73 1dwu h ALA 109 Ca -0.48 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1dwu h ALA 109 Cb 1.22 1.09 0.00 0.00 0.00 0.00 0.00 17.79 20.10 1dwu h ALA 109 CO 0.66 -0.87 0.00 -0.40 0.00 0.00 0.00 179.25 178.64 1dwu n ASP 110 N -5.37 0.01 -0.32 0.00 5.68 -1.26 -2.42 116.55 112.87 1dwu n ASP 110 Ca 0.02 0.50 0.14 0.00 -0.50 0.00 0.00 54.79 54.95 1dwu n ASP 110 Cb 0.33 -0.50 0.59 0.00 -1.14 0.00 0.00 41.12 40.40 1dwu n ASP 110 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 1dwu n MET 111 N -1.51 1.31 -0.02 0.11 2.81 -0.64 -4.51 117.12 114.67 1dwu n MET 111 Ca 0.04 -0.64 -0.05 0.00 -1.81 0.00 0.00 57.70 55.24 1dwu n MET 111 Cb 0.20 -1.49 0.16 0.00 -0.71 0.00 0.00 33.22 31.38 1dwu n MET 111 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1dwu h MET 112 N 1.56 0.58 -0.30 0.03 2.86 -1.53 -0.13 114.93 118.00 1dwu h MET 112 Ca 0.00 -0.22 -0.11 0.00 -2.06 0.00 0.00 59.70 57.31 1dwu h MET 112 Cb 0.39 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1dwu h MET 112 CO 0.00 0.77 -0.28 -1.35 1.06 0.00 0.00 176.91 177.11 1dwu h PRO 113 N 0.52 0.61 -0.01 -0.22 0.11 -1.86 0.17 132.00 131.32 1dwu h PRO 113 Ca 0.08 -0.26 -0.09 0.00 0.11 0.00 0.00 66.00 65.84 1dwu h PRO 113 Cb 0.68 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 1dwu h PRO 113 CO 0.05 0.83 -0.44 1.25 -0.21 0.00 0.00 178.00 179.48 1dwu h LEU 114 N 0.53 0.02 -0.18 2.35 5.85 -1.78 -0.31 115.31 121.79 1dwu h LEU 114 Ca 0.07 -0.01 -0.20 0.00 0.84 0.00 0.00 57.88 58.58 1dwu h LEU 114 Cb 0.75 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 1dwu h LEU 114 CO 0.06 0.45 -0.93 0.58 -0.34 0.00 0.00 178.44 178.27 1dwu h VAL 115 N 0.02 1.61 -0.63 1.05 2.07 -0.77 -2.31 116.25 117.29 1dwu h VAL 115 Ca -0.00 -3.00 -0.04 0.00 0.82 0.00 0.00 66.70 64.47 1dwu h VAL 115 Cb 0.78 2.65 -0.03 0.00 -1.52 0.00 0.00 31.29 33.18 1dwu h VAL 115 CO 0.06 0.86 0.22 1.23 0.02 0.00 0.00 177.57 179.96 1dwu h GLY 116 N 2.43 1.03 0.51 2.17 0.00 -0.01 0.97 103.07 110.17 1dwu h GLY 116 Ca -0.03 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 1dwu h GLY 116 CO 0.13 0.55 -0.04 1.70 0.00 0.00 0.00 176.54 178.88 1dwu h LYS 117 N 0.89 0.07 0.00 4.80 3.64 -1.13 -3.19 116.57 121.65 1dwu h LYS 117 Ca 0.21 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1dwu h LYS 117 Cb 0.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1dwu h LYS 117 CO -0.01 0.60 0.00 0.25 -2.27 0.00 0.00 179.45 178.02 1dwu n THR 118 N -4.76 0.00 0.91 1.00 -2.24 -0.87 -4.53 114.28 103.79 1dwu n THR 118 Ca -0.08 0.50 0.13 0.00 -2.27 0.00 0.00 64.05 62.33 1dwu n THR 118 Cb 0.30 -1.50 0.57 0.00 -2.10 0.00 0.00 70.33 67.60 1dwu n THR 118 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1dwu n LEU 119 N -2.21 0.15 -0.24 3.22 4.77 -0.96 -4.36 117.00 117.37 1dwu n LEU 119 Ca 0.00 0.51 0.02 0.00 -0.03 0.00 0.00 56.01 56.51 1dwu n LEU 119 Cb 0.00 -0.47 0.10 0.00 -2.33 0.00 0.00 43.42 40.72 1dwu n LEU 119 CO 0.00 -0.05 0.76 1.23 -1.33 0.00 0.00 177.39 178.00 1dwu h GLY 120 N 4.77 0.60 0.64 -0.72 0.00 -0.81 -0.33 103.07 107.22 1dwu h GLY 120 Ca 0.00 0.19 0.09 0.00 0.00 0.00 0.00 47.33 47.60 1dwu h GLY 120 CO 0.00 -0.26 0.59 -2.55 0.00 0.00 0.00 176.54 174.32 1dwu h PRO 121 N 0.03 0.00 0.00 4.80 0.11 -1.78 -2.47 132.00 132.69 1dwu h PRO 121 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 1dwu h PRO 121 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 1dwu h PRO 121 CO -0.68 0.00 -0.16 0.28 -0.21 0.00 0.00 178.00 177.23 1dwu n VAL 122 N -3.19 0.31 -0.31 3.15 0.31 -0.17 -4.47 118.33 113.96 1dwu n VAL 122 Ca 0.05 0.43 -0.05 0.00 -0.01 0.00 0.00 64.34 64.77 1dwu n VAL 122 Cb 0.72 -1.69 0.08 0.00 -0.91 0.00 0.00 33.84 32.04 1dwu n VAL 122 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1dwu h LEU 123 N -0.21 1.11 0.40 7.52 3.38 -1.48 -2.70 115.31 123.34 1dwu h LEU 123 Ca 0.00 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1dwu h LEU 123 Cb 0.16 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1dwu h LEU 123 CO 0.00 0.94 -0.38 1.23 0.09 0.00 0.00 178.44 180.32 1dwu h GLY 124 N 1.21 -0.92 0.98 0.83 0.00 -1.69 0.62 103.07 104.10 1dwu h GLY 124 Ca 0.29 0.44 0.14 0.00 0.00 0.00 0.00 47.33 48.20 1dwu h GLY 124 CO -0.03 -0.32 0.37 -2.55 0.00 0.00 0.00 176.54 174.01 1dwu h PRO 125 N -0.80 0.00 0.00 4.80 0.11 -1.77 -2.42 132.00 131.92 1dwu h PRO 125 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1dwu h PRO 125 Cb 0.71 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.82 1dwu h PRO 125 CO -0.05 0.00 -0.55 0.54 -0.21 0.00 0.00 178.00 177.73 1dwu n ARG 126 N -4.27 0.15 -0.89 1.05 1.74 -0.13 -4.95 116.66 109.35 1dwu n ARG 126 Ca 0.09 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 1dwu n ARG 126 Cb 0.59 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 1dwu n ARG 126 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1dwu n GLY 127 N 1.42 0.72 2.20 -0.13 0.00 0.20 -4.94 105.19 104.66 1dwu n GLY 127 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 1dwu n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1dwu n LYS 128 N -2.52 2.30 -1.94 1.61 5.02 -0.46 -4.98 118.16 117.18 1dwu n LYS 128 Ca 0.00 -2.93 -0.42 0.00 -2.02 0.00 0.00 58.31 52.94 1dwu n LYS 128 Cb 0.00 -2.15 -0.03 0.00 -0.02 0.00 0.00 35.03 32.84 1dwu n LYS 128 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1dwu s MET 129 N -3.27 4.22 0.46 1.97 -1.94 -1.25 -4.49 119.30 115.00 1dwu s MET 129 Ca 0.56 2.37 -0.25 0.00 -1.71 0.00 0.00 55.69 56.66 1dwu s MET 129 Cb 0.46 -3.12 -0.08 0.00 2.01 0.00 0.00 34.83 34.10 1dwu s MET 129 CO 0.08 -0.54 1.41 -1.25 -0.01 0.00 0.00 175.02 174.70 1dwu s PRO 130 N 0.39 3.65 -0.14 2.03 0.04 -1.26 -4.76 135.00 134.95 1dwu s PRO 130 Ca 0.65 2.37 -0.27 0.00 0.04 0.00 0.00 61.00 63.79 1dwu s PRO 130 Cb -0.44 -2.62 -0.01 0.00 0.04 0.00 0.00 34.50 31.47 1dwu s PRO 130 CO 0.38 -0.83 0.92 -1.14 0.04 0.00 0.00 177.00 176.37 1dwu s GLN 131 N -2.48 4.36 0.19 4.56 0.74 -0.13 -4.69 119.66 122.21 1dwu s GLN 131 Ca 0.62 1.20 -0.28 0.00 0.05 0.00 0.00 55.36 56.95 1dwu s GLN 131 Cb -0.43 -3.56 -0.08 0.00 1.10 0.00 0.00 33.01 30.04 1dwu s GLN 131 CO 0.55 -0.33 0.88 -1.25 -0.55 0.00 0.00 175.29 174.59 1dwu s PRO 132 N 2.10 4.73 0.08 1.67 0.04 -1.26 -1.21 135.00 141.15 1dwu s PRO 132 Ca 0.43 1.35 0.06 0.00 0.04 0.00 0.00 61.00 62.88 1dwu s PRO 132 Cb -0.17 -3.29 -0.03 0.00 0.04 0.00 0.00 34.50 31.05 1dwu s PRO 132 CO 0.15 0.50 -0.15 0.14 0.04 0.00 0.00 177.00 177.67 1dwu s VAL 133 N -1.01 1.23 0.52 -0.36 -7.23 -0.93 -4.92 120.40 107.70 1dwu s VAL 133 Ca 0.40 -1.34 -0.21 0.00 -1.81 0.00 0.00 61.98 59.01 1dwu s VAL 133 Cb -0.25 -1.16 -0.07 0.00 0.56 0.00 0.00 36.38 35.46 1dwu s VAL 133 CO 0.29 -0.19 1.04 -0.81 -0.31 0.00 0.00 175.10 175.13 1dwu n PRO 134 N 1.26 1.21 -0.17 4.82 -0.04 -1.26 -1.60 135.00 139.22 1dwu n PRO 134 Ca -0.21 0.45 0.29 0.00 -0.04 0.00 0.00 63.50 63.99 1dwu n PRO 134 Cb 0.54 -2.18 0.72 0.00 -0.04 0.00 0.00 33.50 32.54 1dwu n PRO 134 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1dwu h ALA 135 N 1.06 2.80 -0.33 0.55 0.00 -1.96 -0.50 119.26 120.88 1dwu h ALA 135 Ca -0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1dwu h ALA 135 Cb 1.34 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1dwu h ALA 135 CO 0.54 -1.14 0.00 0.27 0.00 0.00 0.00 179.25 178.92 1dwu n ASN 136 N -4.13 3.06 -4.49 0.00 6.94 -1.26 -4.34 115.26 111.04 1dwu n ASN 136 Ca 0.18 -1.89 -0.42 0.00 -0.02 0.00 0.00 54.58 52.44 1dwu n ASN 136 Cb 0.99 -0.21 0.01 0.00 -2.36 0.00 0.00 39.78 38.20 1dwu n ASN 136 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1dwu n ALA 137 N 1.08 -1.12 -2.54 -2.53 0.00 -0.20 -4.94 120.51 110.25 1dwu n ALA 137 Ca 0.15 0.19 -0.42 0.00 0.00 0.00 0.00 53.44 53.35 1dwu n ALA 137 Cb 0.50 -1.85 -0.07 0.00 0.00 0.00 0.00 19.45 18.03 1dwu n ALA 137 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1dwu s ASN 138 N -0.90 6.38 0.35 0.00 3.04 -1.26 -4.90 114.94 117.63 1dwu s ASN 138 Ca 0.63 -0.10 0.24 0.00 0.04 0.00 0.00 52.86 53.67 1dwu s ASN 138 Cb -0.60 -2.33 1.26 0.00 -1.54 0.00 0.00 41.25 38.04 1dwu s ASN 138 CO 0.58 -0.70 1.73 -0.07 -3.04 0.00 0.00 177.10 175.59 1dwu h LEU 139 N 9.58 0.00 -0.25 3.21 3.38 -1.95 -3.31 115.31 125.97 1dwu h LEU 139 Ca -0.26 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.58 1dwu h LEU 139 Cb 1.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 1dwu h LEU 139 CO 0.87 0.00 -0.35 0.74 0.09 0.00 0.00 178.44 179.79 1dwu h THR 140 N 0.00 1.31 -0.60 0.22 2.02 -1.99 -0.92 112.91 112.96 1dwu h THR 140 Ca 0.00 -1.55 0.08 0.00 0.77 0.00 0.00 66.41 65.71 1dwu h THR 140 Cb 0.05 1.69 -0.06 0.00 -1.74 0.00 0.00 68.15 68.09 1dwu h THR 140 CO 0.00 0.49 0.26 -0.65 0.37 0.00 0.00 175.52 175.99 1dwu h PRO 141 N 0.41 0.46 -0.17 6.66 0.11 -2.00 -1.99 132.00 135.48 1dwu h PRO 141 Ca 0.03 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 1dwu h PRO 141 Cb 0.94 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 1dwu h PRO 141 CO 0.08 0.30 0.07 1.25 -0.21 0.00 0.00 178.00 179.49 1dwu h LEU 142 N 0.47 0.23 -0.91 2.35 7.12 -1.70 -1.76 115.31 121.11 1dwu h LEU 142 Ca 0.29 -0.16 -0.11 0.00 0.13 0.00 0.00 57.88 58.03 1dwu h LEU 142 Cb 0.30 -0.06 -0.02 0.00 -0.53 0.00 0.00 40.66 40.35 1dwu h LEU 142 CO -0.25 0.32 -0.53 0.58 -0.13 0.00 0.00 178.44 178.43 1dwu h VAL 143 N 0.12 1.35 0.51 1.05 2.07 -1.10 -1.37 116.25 118.89 1dwu h VAL 143 Ca 0.06 -1.85 -0.03 0.00 0.82 0.00 0.00 66.70 65.70 1dwu h VAL 143 Cb 0.17 2.01 0.01 0.00 -1.52 0.00 0.00 31.29 31.95 1dwu h VAL 143 CO -0.00 0.52 -0.25 -0.33 0.02 0.00 0.00 177.57 177.53 1dwu h GLU 144 N 0.00 -0.66 0.13 1.57 4.39 -1.08 -1.50 114.58 117.42 1dwu h GLU 144 Ca -0.01 0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.76 1dwu h GLU 144 Cb 0.96 0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.73 1dwu h GLU 144 CO 0.07 -0.40 -0.31 -0.09 -1.16 0.00 0.00 179.01 177.11 1dwu h ARG 145 N -0.78 -0.52 -0.23 2.33 2.43 -1.22 -2.42 114.38 113.97 1dwu h ARG 145 Ca -0.07 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1dwu h ARG 145 Cb 0.57 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 1dwu h ARG 145 CO 0.12 -0.35 0.16 -0.07 -1.51 0.00 0.00 179.97 178.32 1dwu h LEU 146 N -0.54 0.11 -2.13 3.80 3.38 -1.26 -1.18 115.31 117.49 1dwu h LEU 146 Ca 0.03 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1dwu h LEU 146 Cb 0.57 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1dwu h LEU 146 CO -0.18 0.07 0.00 0.11 0.09 0.00 0.00 178.44 178.53 1dwu h LYS 147 N 0.12 0.00 0.00 1.13 1.57 -0.74 -1.61 116.57 117.04 1dwu h LYS 147 Ca 0.10 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1dwu h LYS 147 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1dwu h LYS 147 CO -0.01 0.00 -0.24 0.36 -0.57 0.00 0.00 179.45 178.99 1dwu n LYS 148 N -2.76 1.31 -3.82 3.15 2.85 -0.48 -4.39 118.16 114.03 1dwu n LYS 148 Ca -0.02 -2.77 -0.35 0.00 -1.05 0.00 0.00 58.31 54.12 1dwu n LYS 148 Cb 0.10 -1.46 -0.08 0.00 -0.65 0.00 0.00 35.03 32.94 1dwu n LYS 148 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1dwu s THR 149 N -2.82 5.24 0.46 0.58 2.01 -0.61 -0.91 115.64 119.59 1dwu s THR 149 Ca 0.33 0.13 0.04 0.00 0.31 0.00 0.00 61.69 62.49 1dwu s THR 149 Cb 0.31 -3.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 1dwu s THR 149 CO -0.01 0.46 0.01 0.68 -0.69 0.00 0.00 174.62 175.06 1dwu s VAL 150 N 0.27 1.49 -0.25 3.82 -7.23 -0.60 -4.97 120.40 112.93 1dwu s VAL 150 Ca 0.07 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.22 1dwu s VAL 150 Cb -0.11 -2.54 0.08 0.00 0.56 0.00 0.00 36.38 34.37 1dwu s VAL 150 CO -0.01 0.00 0.06 -0.76 -0.31 0.00 0.00 175.10 174.08 1dwu s LEU 151 N -3.78 1.62 0.19 1.32 1.43 -1.26 -1.80 118.68 116.40 1dwu s LEU 151 Ca 0.19 -1.17 -0.31 0.00 -1.03 0.00 0.00 54.13 51.81 1dwu s LEU 151 Cb 0.05 -0.72 -0.10 0.00 0.03 0.00 0.00 46.19 45.45 1dwu s LEU 151 CO 0.10 -0.35 1.52 -0.63 0.23 0.00 0.00 176.35 177.22 1dwu s ILE 152 N 1.75 2.66 -0.26 -0.59 1.01 0.87 -4.88 121.20 121.77 1dwu s ILE 152 Ca 0.03 0.50 -0.02 0.00 0.00 0.00 0.00 60.65 61.17 1dwu s ILE 152 Cb -0.17 -3.32 0.13 0.00 0.01 0.00 0.00 42.46 39.10 1dwu s ILE 152 CO -0.16 0.05 0.31 0.21 0.00 0.00 0.00 174.94 175.35 1dwu s ASN 153 N 0.87 1.15 0.27 3.58 3.04 -1.26 -1.96 114.94 120.62 1dwu s ASN 153 Ca 0.66 -0.36 0.13 0.00 0.04 0.00 0.00 52.86 53.33 1dwu s ASN 153 Cb -0.43 0.67 0.29 0.00 -1.54 0.00 0.00 41.25 40.25 1dwu s ASN 153 CO 0.36 -0.35 1.56 0.71 -3.04 0.00 0.00 177.10 176.33 1dwu h THR 154 N 6.25 1.28 -0.16 -5.21 1.35 -1.52 -3.46 112.91 111.43 1dwu h THR 154 Ca -0.15 -2.24 0.00 0.00 -0.55 0.00 0.00 66.41 63.47 1dwu h THR 154 Cb 1.12 2.26 0.00 0.00 -1.73 0.00 0.00 68.15 69.80 1dwu h THR 154 CO 0.30 0.61 0.00 0.54 -0.25 0.00 0.00 175.52 176.72 1dwu n ARG 155 N -3.57 0.00 -1.63 4.72 1.74 -1.26 -2.26 116.66 114.40 1dwu n ARG 155 Ca -0.00 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.74 1dwu n ARG 155 Cb 0.67 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 32.07 1dwu n ARG 155 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1dwu n ASP 156 N -3.39 7.48 -3.68 0.55 5.68 -1.26 -4.79 116.55 117.14 1dwu n ASP 156 Ca 0.00 -2.98 -0.15 0.00 -0.50 0.00 0.00 54.79 51.16 1dwu n ASP 156 Cb 0.00 -1.37 -0.08 0.00 -1.14 0.00 0.00 41.12 38.53 1dwu n ASP 156 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1dwu s LYS 157 N -0.46 0.74 0.00 0.11 2.20 -0.96 -4.96 119.74 116.41 1dwu s LYS 157 Ca 0.60 0.26 -0.03 0.00 -0.36 0.00 0.00 55.97 56.43 1dwu s LYS 157 Cb 0.25 0.35 -0.15 0.00 -1.51 0.00 0.00 37.83 36.76 1dwu s LYS 157 CO -0.11 -0.18 2.75 -0.35 -0.36 0.00 0.00 175.35 177.10 1dwu n PRO 158 N 1.76 1.46 -3.63 4.03 -0.04 -1.26 -4.79 135.00 132.53 1dwu n PRO 158 Ca -0.18 -0.56 -0.12 0.00 -0.04 0.00 0.00 63.50 62.61 1dwu n PRO 158 Cb 0.56 -1.61 -0.07 0.00 -0.04 0.00 0.00 33.50 32.35 1dwu n PRO 158 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1dwu s LEU 159 N 0.00 -0.81 0.10 1.53 2.96 -1.26 -0.25 118.68 120.95 1dwu s LEU 159 Ca 0.38 1.46 -0.21 0.00 -0.22 0.00 0.00 54.13 55.53 1dwu s LEU 159 Cb 0.18 2.43 0.05 0.00 0.50 0.00 0.00 46.19 49.35 1dwu s LEU 159 CO 0.00 -0.24 0.53 0.72 -1.32 0.00 0.00 176.35 176.03 1dwu s PHE 160 N 0.80 -0.42 0.21 5.38 -0.71 -0.92 -4.75 117.98 117.57 1dwu s PHE 160 Ca -0.03 0.32 0.11 0.00 -1.04 0.00 0.00 56.93 56.29 1dwu s PHE 160 Cb -0.05 0.40 -0.04 0.00 -1.21 0.00 0.00 43.02 42.11 1dwu s PHE 160 CO -0.06 -0.72 -0.22 -1.01 -1.34 0.00 0.00 175.22 171.87 1dwu s HIS 161 N -3.14 2.33 -0.11 3.49 3.76 -1.26 -1.24 115.29 119.12 1dwu s HIS 161 Ca -0.02 -0.34 -0.10 0.00 -0.15 0.00 0.00 55.06 54.45 1dwu s HIS 161 Cb -0.00 -1.13 0.03 0.00 1.11 0.00 0.00 32.58 32.59 1dwu s HIS 161 CO -0.07 0.54 0.29 0.14 -0.85 0.00 0.00 174.74 174.79 1dwu s VAL 162 N -1.82 -0.00 -0.07 -0.90 -7.23 -1.13 -4.75 120.40 104.50 1dwu s VAL 162 Ca 0.23 0.01 -0.24 0.00 -1.81 0.00 0.00 61.98 60.17 1dwu s VAL 162 Cb -0.07 -0.41 -0.04 0.00 0.56 0.00 0.00 36.38 36.42 1dwu s VAL 162 CO 0.11 0.00 0.71 -1.48 -0.31 0.00 0.00 175.10 174.13 1dwu s LEU 163 N 0.21 4.31 0.00 1.32 -0.00 -1.26 -1.57 118.68 121.68 1dwu s LEU 163 Ca -0.00 1.19 0.24 0.00 -0.00 0.00 0.00 54.13 55.55 1dwu s LEU 163 Cb -0.02 -3.09 0.25 0.00 -0.00 0.00 0.00 46.19 43.33 1dwu s LEU 163 CO -0.00 -0.13 1.27 1.33 -0.00 0.00 0.00 176.35 178.81 1dwu n VAL 164 N 3.83 0.00 -1.46 1.48 0.24 0.04 -4.95 118.33 117.51 1dwu n VAL 164 Ca -0.01 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 1dwu n VAL 164 Cb 0.51 1.14 0.00 0.00 -1.47 0.00 0.00 33.84 34.02 1dwu n VAL 164 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1dwu n GLY 165 N 1.37 0.36 3.50 7.63 0.00 -1.16 -4.82 105.19 112.07 1dwu n GLY 165 Ca 0.12 -1.62 -0.25 0.00 0.00 0.00 0.00 46.02 44.27 1dwu n GLY 165 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dwu s ASN 166 N -4.00 2.67 0.33 1.61 2.20 -1.26 0.51 114.94 117.00 1dwu s ASN 166 Ca 0.00 -1.62 0.11 0.00 -0.94 0.00 0.00 52.86 50.42 1dwu s ASN 166 Cb 0.00 0.40 1.00 0.00 -2.00 0.00 0.00 41.25 40.65 1dwu s ASN 166 CO 0.00 -0.87 1.65 -0.33 -2.94 0.00 0.00 177.10 174.61 1dwu h GLU 167 N 1.86 0.27 -0.27 3.55 5.08 -1.66 -2.37 114.58 121.04 1dwu h GLU 167 Ca -0.36 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1dwu h GLU 167 Cb 1.27 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1dwu h GLU 167 CO 0.59 0.18 0.00 1.63 -1.00 0.00 0.00 179.01 180.41 1dwu n LYS 168 N -5.11 0.66 -4.20 2.33 5.02 -1.26 -4.70 118.16 110.90 1dwu n LYS 168 Ca 0.29 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.30 1dwu n LYS 168 Cb 0.92 -1.13 -0.08 0.00 -0.02 0.00 0.00 35.03 34.71 1dwu n LYS 168 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1dwu s MET 169 N -1.59 2.32 0.76 1.97 -1.94 -0.89 -5.10 119.30 114.82 1dwu s MET 169 Ca 0.00 -1.05 -0.11 0.00 -1.71 0.00 0.00 55.69 52.82 1dwu s MET 169 Cb 0.00 -2.36 0.05 0.00 2.01 0.00 0.00 34.83 34.53 1dwu s MET 169 CO 0.00 0.48 1.08 -1.54 -0.01 0.00 0.00 175.02 175.03 1dwu s SER 170 N -2.63 4.71 0.28 3.03 1.04 -1.26 -4.89 113.70 113.99 1dwu s SER 170 Ca 0.25 1.76 -0.03 0.00 0.48 0.00 0.00 55.95 58.41 1dwu s SER 170 Cb -0.10 -2.50 0.39 0.00 0.10 0.00 0.00 66.02 63.91 1dwu s SER 170 CO 0.17 -1.89 1.95 0.44 0.98 0.00 0.00 173.24 174.89 1dwu h ASP 171 N -1.03 1.01 -0.22 7.02 3.32 -1.97 -1.11 116.42 123.44 1dwu h ASP 171 Ca -0.44 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 56.51 1dwu h ASP 171 Cb 1.23 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 1dwu h ASP 171 CO 0.53 0.73 -0.09 -0.33 -1.72 0.00 0.00 179.24 178.36 1dwu h GLU 172 N 1.19 0.60 -0.10 3.56 5.08 -1.96 -0.02 114.58 122.93 1dwu h GLU 172 Ca 0.33 -0.17 -0.21 0.00 -1.00 0.00 0.00 59.36 58.30 1dwu h GLU 172 Cb -0.12 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.07 1dwu h GLU 172 CO -0.07 0.68 -0.77 0.93 -1.00 0.00 0.00 179.01 178.78 1dwu h GLU 173 N 0.55 0.69 0.00 2.33 5.08 -1.73 -2.16 114.58 119.34 1dwu h GLU 173 Ca 0.10 -0.62 -0.01 0.00 -1.00 0.00 0.00 59.36 57.84 1dwu h GLU 173 Cb 0.49 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 1dwu h GLU 173 CO 0.03 1.23 -0.03 -0.07 -1.00 0.00 0.00 179.01 179.17 1dwu h LEU 174 N 0.38 0.00 0.00 1.33 3.38 -1.04 -1.43 115.31 117.94 1dwu h LEU 174 Ca -0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1dwu h LEU 174 Cb 1.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.17 1dwu h LEU 174 CO 0.16 0.03 -0.00 0.00 0.09 0.00 0.00 178.44 178.71 1dwu h ALA 175 N 1.97 -0.01 0.00 1.53 0.00 -0.82 -2.22 119.26 119.72 1dwu h ALA 175 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1dwu h ALA 175 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1dwu h ALA 175 CO 0.00 -0.14 0.00 1.49 0.00 0.00 0.00 179.25 180.61 1dwu h GLU 176 N -0.74 0.00 0.09 0.00 4.81 -1.29 0.53 114.58 117.97 1dwu h GLU 176 Ca -0.00 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.03 1dwu h GLU 176 Cb 0.73 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.11 1dwu h GLU 176 CO 0.00 0.00 -1.00 -0.91 -0.73 0.00 0.00 179.01 176.37 1dwu h ASN 177 N 0.00 0.30 -0.60 1.04 4.21 -1.24 -2.96 115.58 116.32 1dwu h ASN 177 Ca 0.00 -0.86 -0.04 0.00 1.21 0.00 0.00 56.30 56.61 1dwu h ASN 177 Cb 0.37 -0.10 -0.03 0.00 -1.12 0.00 0.00 38.32 37.45 1dwu h ASN 177 CO 0.00 1.44 0.24 0.40 -1.29 0.00 0.00 177.43 178.22 1dwu h ILE 178 N -0.52 1.22 0.00 2.81 2.04 -1.14 -2.13 117.51 119.80 1dwu h ILE 178 Ca -0.22 -0.72 -0.07 0.00 1.00 0.00 0.00 64.86 64.85 1dwu h ILE 178 Cb 1.55 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1dwu h ILE 178 CO 0.04 0.28 -0.35 -0.08 0.00 0.00 0.00 178.15 178.05 1dwu h GLU 179 N 0.91 0.00 0.00 2.37 4.81 -1.02 -1.15 114.58 120.50 1dwu h GLU 179 Ca 0.21 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.32 1dwu h GLU 179 Cb 0.19 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1dwu h GLU 179 CO -0.02 0.35 -0.57 0.00 -0.73 0.00 0.00 179.01 178.04 1dwu h ALA 180 N 1.65 0.87 0.13 2.92 0.00 -1.22 -2.03 119.26 121.59 1dwu h ALA 180 Ca -0.00 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 1dwu h ALA 180 Cb 0.65 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1dwu h ALA 180 CO 0.04 0.71 -0.06 0.82 0.00 0.00 0.00 179.25 180.76 1dwu h ILE 181 N 0.00 0.60 -1.00 0.00 1.08 -0.97 -3.32 117.51 113.90 1dwu h ILE 181 Ca -0.01 -1.19 0.23 0.00 -0.39 0.00 0.00 64.86 63.51 1dwu h ILE 181 Cb 1.14 1.07 -0.09 0.00 -3.07 0.00 0.00 36.82 35.87 1dwu h ILE 181 CO 0.07 0.18 0.63 -0.07 -0.69 0.00 0.00 178.15 178.28 1dwu h LEU 182 N -0.97 0.55 -0.72 1.44 3.38 -1.24 0.95 115.31 118.70 1dwu h LEU 182 Ca -0.02 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1dwu h LEU 182 Cb 0.43 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1dwu h LEU 182 CO 0.03 0.15 0.00 -3.20 0.09 0.00 0.00 178.44 175.51 1dwu n ASN 183 N -4.66 0.39 -0.04 -0.43 4.05 -0.77 -1.51 115.26 112.28 1dwu n ASN 183 Ca 0.24 0.64 -0.21 0.00 0.45 0.00 0.00 54.58 55.70 1dwu n ASN 183 Cb 0.75 -0.71 -0.13 0.00 1.23 0.00 0.00 39.78 40.92 1dwu n ASN 183 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 1dwu n THR 184 N -1.98 1.68 0.14 -0.44 -1.04 0.32 -2.38 114.28 110.59 1dwu n THR 184 Ca 0.01 -0.51 -0.14 0.00 -2.04 0.00 0.00 64.05 61.36 1dwu n THR 184 Cb 0.10 -1.75 -0.08 0.00 -1.82 0.00 0.00 70.33 66.78 1dwu n THR 184 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1dwu h VAL 185 N -0.19 0.80 -0.82 12.58 2.07 -1.40 -1.78 116.25 127.50 1dwu h VAL 185 Ca -0.45 -0.03 0.16 0.00 0.82 0.00 0.00 66.70 67.20 1dwu h VAL 185 Cb 1.86 0.82 -0.10 0.00 -1.52 0.00 0.00 31.29 32.35 1dwu h VAL 185 CO -0.02 0.01 0.37 -1.28 0.02 0.00 0.00 177.57 176.67 1dwu h SER 186 N -0.30 0.38 0.32 0.57 0.87 -1.43 -1.49 113.55 112.47 1dwu h SER 186 Ca -0.03 0.11 -0.14 0.00 -1.23 0.00 0.00 61.79 60.51 1dwu h SER 186 Cb 0.23 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1dwu h SER 186 CO 0.05 0.12 -0.56 0.03 -0.53 0.00 0.00 176.83 175.94 1dwu h ARG 187 N 0.50 0.25 0.54 2.24 3.08 -1.07 -3.36 114.38 116.56 1dwu h ARG 187 Ca 0.47 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 60.33 1dwu h ARG 187 Cb 0.74 0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.81 1dwu h ARG 187 CO -0.42 0.75 -0.26 -0.22 -1.07 0.00 0.00 179.97 178.75 1dwu h LYS 188 N 0.19 -0.70 -6.82 0.04 3.64 -0.41 -3.45 116.57 109.05 1dwu h LYS 188 Ca -0.00 0.05 -0.48 0.00 -1.27 0.00 0.00 60.65 58.95 1dwu h LYS 188 Cb 1.05 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 1dwu h LYS 188 CO 0.09 -0.47 0.29 0.71 -2.27 0.00 0.00 179.45 177.80 1dwu s TYR 189 N -3.91 3.65 -0.54 1.91 2.02 -1.12 -5.00 117.35 114.35 1dwu s TYR 189 Ca -0.11 1.67 0.24 0.00 -0.37 0.00 0.00 57.07 58.51 1dwu s TYR 189 Cb 0.01 -2.84 0.47 0.00 -0.40 0.00 0.00 41.96 39.20 1dwu s TYR 189 CO 0.32 0.21 1.58 1.05 -1.57 0.00 0.00 175.55 177.14 1dwu h GLU 190 N 3.12 0.00 0.00 -0.62 4.11 -1.88 -2.70 114.58 116.61 1dwu h GLU 190 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1dwu h GLU 190 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1dwu h GLU 190 CO 0.65 0.00 -0.12 1.63 0.07 0.00 0.00 179.01 181.23 1dwu n LYS 191 N -2.67 0.09 0.00 1.06 5.02 -1.26 -5.02 118.16 115.38 1dwu n LYS 191 Ca 0.04 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1dwu n LYS 191 Cb 0.49 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 1dwu n LYS 191 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1dwu n GLY 192 N 1.44 0.44 0.35 0.72 0.00 -1.02 -3.82 105.19 103.30 1dwu n GLY 192 Ca 0.06 -0.89 0.02 0.00 0.00 0.00 0.00 46.02 45.22 1dwu n GLY 192 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dwu n LEU 193 N 0.00 0.97 0.15 0.99 4.77 -1.26 -3.52 117.00 119.09 1dwu n LEU 193 Ca 0.00 -0.48 0.03 0.00 -0.03 0.00 0.00 56.01 55.52 1dwu n LEU 193 Cb 0.00 -0.16 0.40 0.00 -2.33 0.00 0.00 43.42 41.32 1dwu n LEU 193 CO 0.00 0.22 0.85 0.22 -1.33 0.00 0.00 177.39 177.35 1dwu h TYR 194 N 0.86 0.17 0.00 -1.77 3.20 -1.98 -2.54 116.97 114.91 1dwu h TYR 194 Ca 0.00 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1dwu h TYR 194 Cb 0.29 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.51 1dwu h TYR 194 CO 0.12 0.35 0.00 0.72 -1.64 0.00 0.00 178.16 177.71 1dwu n HIS 195 N -4.24 0.00 -3.17 -3.82 8.25 -1.23 -4.53 115.22 106.48 1dwu n HIS 195 Ca -0.01 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.01 1dwu n HIS 195 Cb 0.30 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.35 1dwu n HIS 195 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1dwu s VAL 196 N -2.00 4.91 0.12 1.59 1.01 -0.96 -0.34 120.40 124.73 1dwu s VAL 196 Ca 0.34 -0.75 -0.18 0.00 0.00 0.00 0.00 61.98 61.38 1dwu s VAL 196 Cb 0.15 -4.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 1dwu s VAL 196 CO 0.26 -0.88 1.68 0.50 0.00 0.00 0.00 175.10 176.65 1dwu h LYS 197 N 9.02 0.44 -2.12 2.72 3.64 -1.04 -3.47 116.57 125.76 1dwu h LYS 197 Ca -0.28 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1dwu h LYS 197 Cb 1.09 -0.08 -0.18 0.00 -0.41 0.00 0.00 32.23 32.66 1dwu h LYS 197 CO 1.00 0.43 0.31 -1.54 -2.27 0.00 0.00 179.45 177.38 1dwu s SER 198 N -5.68 -0.54 -0.03 4.20 1.04 -1.25 -5.05 113.70 106.39 1dwu s SER 198 Ca -0.13 0.43 -0.01 0.00 0.48 0.00 0.00 55.95 56.71 1dwu s SER 198 Cb 0.09 0.48 0.02 0.00 0.10 0.00 0.00 66.02 66.71 1dwu s SER 198 CO 0.73 -0.62 0.07 0.00 0.98 0.00 0.00 173.24 174.40 1dwu s ALA 199 N -1.87 -0.09 0.20 5.32 0.00 -1.26 -1.72 121.76 122.34 1dwu s ALA 199 Ca -0.05 0.33 0.10 0.00 0.00 0.00 0.00 51.96 52.35 1dwu s ALA 199 Cb -0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 1dwu s ALA 199 CO 0.02 -0.09 -0.16 0.71 0.00 0.00 0.00 175.76 176.24 1dwu s TYR 200 N 0.68 2.47 0.20 0.00 1.51 -0.21 -0.36 117.35 121.64 1dwu s TYR 200 Ca -0.05 -0.29 0.10 0.00 -1.01 0.00 0.00 57.07 55.82 1dwu s TYR 200 Cb -0.08 -1.19 -0.04 0.00 -0.11 0.00 0.00 41.96 40.54 1dwu s TYR 200 CO -0.02 0.53 -0.15 0.95 -1.11 0.00 0.00 175.55 175.75 1dwu s THR 201 N -1.80 2.87 -0.22 -0.71 -4.23 -0.78 -1.28 115.64 109.50 1dwu s THR 201 Ca 0.24 -1.84 -0.25 0.00 -1.18 0.00 0.00 61.69 58.65 1dwu s THR 201 Cb -0.08 -2.42 0.07 0.00 1.34 0.00 0.00 72.50 71.41 1dwu s THR 201 CO 0.13 -0.14 0.69 -0.75 -0.54 0.00 0.00 174.62 174.01 1dwu s LYS 202 N -2.86 0.86 0.62 3.99 2.20 -0.12 -1.20 119.74 123.22 1dwu s LYS 202 Ca 0.24 0.81 -0.03 0.00 -0.36 0.00 0.00 55.97 56.63 1dwu s LYS 202 Cb -0.08 0.41 0.04 0.00 -1.51 0.00 0.00 37.83 36.69 1dwu s LYS 202 CO 0.14 -0.14 0.89 -0.51 -0.36 0.00 0.00 175.35 175.36 1dwu s LEU 203 N 0.04 3.10 0.20 5.43 1.43 -1.26 0.09 118.68 127.70 1dwu s LEU 203 Ca -0.02 0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 53.31 1dwu s LEU 203 Cb -0.04 -3.11 0.23 0.00 0.03 0.00 0.00 46.19 43.30 1dwu s LEU 203 CO 0.03 -1.29 1.74 0.74 0.23 0.00 0.00 176.35 177.80 1dwu h THR 204 N -0.23 0.78 -0.01 5.49 2.02 -1.53 -2.55 112.91 116.88 1dwu h THR 204 Ca -0.44 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 66.61 1dwu h THR 204 Cb 1.29 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1dwu h THR 204 CO 0.58 0.07 -0.17 0.23 0.37 0.00 0.00 175.52 176.59 1dwu n MET 205 N -5.02 1.42 -2.19 6.66 2.81 -1.26 -5.04 117.12 114.51 1dwu n MET 205 Ca 0.07 -2.84 -0.26 0.00 -1.81 0.00 0.00 57.70 52.86 1dwu n MET 205 Cb 0.24 -1.55 0.07 0.00 -0.71 0.00 0.00 33.22 31.27 1dwu n MET 205 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1dwu s GLY 206 N -2.98 1.68 0.45 3.03 0.00 -0.96 -4.60 107.32 103.94 1dwu s GLY 206 Ca 0.34 -0.91 -0.11 0.00 0.00 0.00 0.00 44.72 44.04 1dwu s GLY 206 CO -0.00 -0.50 0.84 -4.14 0.00 0.00 0.00 173.10 169.29 1dwu s PRO 207 N -5.26 3.77 -0.03 2.90 0.02 -1.26 -4.56 135.00 130.58 1dwu s PRO 207 Ca 0.60 0.57 -0.24 0.00 0.02 0.00 0.00 61.00 61.95 1dwu s PRO 207 Cb -0.11 -2.31 -0.04 0.00 0.02 0.00 0.00 34.50 32.06 1dwu s PRO 207 CO 0.45 -0.15 0.72 -1.25 -0.33 0.00 0.00 177.00 176.44 1dwu s PRO 208 N -4.11 4.45 -0.21 5.54 0.04 -1.26 -4.43 135.00 135.02 1dwu s PRO 208 Ca 0.53 0.94 0.01 0.00 0.04 0.00 0.00 61.00 62.52 1dwu s PRO 208 Cb -0.10 -3.42 0.03 0.00 0.04 0.00 0.00 34.50 31.05 1dwu s PRO 208 CO 0.35 0.13 -0.16 0.00 0.04 0.00 0.00 177.00 177.35 1dwu s ALA 209 N 0.54 2.43 0.23 8.56 0.00 -0.34 -4.91 121.76 128.27 1dwu s ALA 209 Ca 0.38 -1.39 -0.30 0.00 0.00 0.00 0.00 51.96 50.65 1dwu s ALA 209 Cb -0.19 -1.33 -0.09 0.00 0.00 0.00 0.00 23.12 21.51 1dwu s ALA 209 CO 0.20 -0.62 1.22 1.14 0.00 0.00 0.00 175.76 177.70 1dwu s GLN 210 N 1.24 4.47 0.01 0.00 -2.07 -1.26 -1.87 119.66 120.18 1dwu s GLN 210 Ca 0.01 1.96 -0.30 0.00 -1.82 0.00 0.00 55.36 55.21 1dwu s GLN 210 Cb -0.15 -3.19 -0.07 0.00 -1.09 0.00 0.00 33.01 28.51 1dwu s GLN 210 CO -0.10 -0.08 1.73 0.42 -1.32 0.00 0.00 175.29 175.93 1dwu s ILE 211 N -0.42 3.28 -0.53 3.63 1.01 0.52 -4.77 121.20 123.93 1dwu s ILE 211 Ca 0.51 0.48 -0.27 0.00 0.00 0.00 0.00 60.65 61.37 1dwu s ILE 211 Cb -0.35 -3.31 -0.02 0.00 0.01 0.00 0.00 42.46 38.80 1dwu s ILE 211 CO 0.41 -0.03 1.81 -0.70 0.00 0.00 0.00 174.94 176.42 1dwu s GLU 212 N 3.71 2.88 0.00 2.79 2.12 -1.25 -4.64 118.70 124.31 1dwu s GLU 212 Ca 0.77 0.84 0.00 0.00 0.36 0.00 0.00 54.97 56.94 1dwu s GLU 212 Cb -0.37 -4.31 0.00 0.00 0.26 0.00 0.00 34.13 29.70 1dwu s GLU 212 CO 0.33 -2.42 0.00 1.63 -0.54 0.00 0.00 175.26 174.26