#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jdu n VAL 4 N 0.00 0.00 -0.08 -1.45 0.24 -1.26 -4.92 118.33 110.86 1jdu n VAL 4 Ca 0.00 -0.03 -0.16 0.00 -2.04 0.00 0.00 64.34 62.11 1jdu n VAL 4 Cb 0.00 1.18 -0.06 0.00 -1.47 0.00 0.00 33.84 33.48 1jdu n VAL 4 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1jdu n HIS 5 N -0.04 0.00 -3.19 6.34 8.25 -1.26 -4.85 115.22 120.47 1jdu n HIS 5 Ca 0.00 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 57.01 1jdu n HIS 5 Cb 0.04 -0.62 -0.05 0.00 1.12 0.00 0.00 29.99 30.49 1jdu n HIS 5 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1jdu s ILE 6 N -2.32 4.96 -1.98 1.59 1.09 -1.26 -4.54 121.20 118.74 1jdu s ILE 6 Ca -0.23 -1.05 0.01 0.00 -1.10 0.00 0.00 60.65 58.27 1jdu s ILE 6 Cb 0.08 -4.40 0.02 0.00 -1.06 0.00 0.00 42.46 37.10 1jdu s ILE 6 CO 0.32 -0.97 1.01 0.18 -0.10 0.00 0.00 174.94 175.37 1jdu n LEU 7 N 5.95 0.13 -4.62 2.97 4.77 -1.26 -4.86 117.00 120.08 1jdu n LEU 7 Ca -0.10 -0.07 -0.30 0.00 -0.03 0.00 0.00 56.01 55.51 1jdu n LEU 7 Cb 0.42 -0.02 0.19 0.00 -2.33 0.00 0.00 43.42 41.68 1jdu n LEU 7 CO 0.56 0.03 0.62 0.00 -1.33 0.00 0.00 177.39 177.27 1jdu s ALA 8 N -1.96 0.82 0.23 -1.18 0.00 -1.25 -4.98 121.76 113.45 1jdu s ALA 8 Ca 0.01 0.15 0.06 0.00 0.00 0.00 0.00 51.96 52.18 1jdu s ALA 8 Cb 0.01 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 1jdu s ALA 8 CO 0.01 -3.01 0.22 0.15 0.00 0.00 0.00 175.76 173.13 1jdu s LYS 9 N -4.67 3.03 0.05 0.00 1.02 -1.26 -5.03 119.74 112.87 1jdu s LYS 9 Ca 0.66 -0.95 -0.30 0.00 0.02 0.00 0.00 55.97 55.40 1jdu s LYS 9 Cb -0.22 -2.65 -0.09 0.00 -0.52 0.00 0.00 37.83 34.35 1jdu s LYS 9 CO 0.60 0.43 1.82 0.21 -0.92 0.00 0.00 175.35 177.49 1jdu s LYS 10 N -3.70 4.16 0.00 1.68 2.20 -1.26 -1.53 119.74 121.28 1jdu s LYS 10 Ca 0.33 2.48 0.00 0.00 -0.36 0.00 0.00 55.97 58.42 1jdu s LYS 10 Cb -0.09 -3.88 0.00 0.00 -1.51 0.00 0.00 37.83 32.35 1jdu s LYS 10 CO 0.25 -0.87 0.00 0.41 -0.36 0.00 0.00 175.35 174.79 1jdu n GLY 11 N 4.29 0.90 0.52 5.54 0.00 -1.26 -4.92 105.19 110.26 1jdu n GLY 11 Ca 0.18 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.29 1jdu n GLY 11 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jdu n GLU 12 N -0.75 1.56 -4.23 1.61 1.02 -0.58 -4.86 120.64 114.41 1jdu n GLU 12 Ca 0.00 -1.15 -0.33 0.00 -0.02 0.00 0.00 57.16 55.66 1jdu n GLU 12 Cb 0.00 -1.32 -0.16 0.00 -0.02 0.00 0.00 31.44 29.95 1jdu n GLU 12 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1jdu s VAL 13 N -1.75 2.23 0.97 2.62 1.01 -1.26 -4.73 120.40 119.48 1jdu s VAL 13 Ca 0.17 -0.89 -0.12 0.00 0.00 0.00 0.00 61.98 61.13 1jdu s VAL 13 Cb 0.14 -1.93 0.17 0.00 0.00 0.00 0.00 36.38 34.76 1jdu s VAL 13 CO 0.34 0.53 1.10 0.00 0.00 0.00 0.00 175.10 177.07 1jdu s ALA 14 N 1.19 1.20 0.10 5.51 0.00 -1.26 -4.61 121.76 123.88 1jdu s ALA 14 Ca 0.02 -0.38 -0.13 0.00 0.00 0.00 0.00 51.96 51.48 1jdu s ALA 14 Cb -0.14 -3.10 -0.17 0.00 0.00 0.00 0.00 23.12 19.71 1jdu s ALA 14 CO -0.09 -2.66 1.28 0.93 0.00 0.00 0.00 175.76 175.21 1jdu h GLU 15 N -1.77 0.78 -5.87 0.00 5.08 -1.82 -3.32 114.58 107.65 1jdu h GLU 15 Ca -0.53 -0.68 -0.58 0.00 -1.00 0.00 0.00 59.36 56.58 1jdu h GLU 15 Cb 1.33 0.15 -0.07 0.00 0.50 0.00 0.00 28.75 30.66 1jdu h GLU 15 CO 0.58 1.27 0.14 1.03 -1.00 0.00 0.00 179.01 181.04 1jdu s ARG 16 N -3.65 4.33 -0.02 2.33 0.52 -1.26 -2.33 118.95 118.88 1jdu s ARG 16 Ca -0.10 0.79 0.01 0.00 -0.52 0.00 0.00 55.73 55.91 1jdu s ARG 16 Cb 0.08 -3.51 0.01 0.00 0.52 0.00 0.00 34.95 32.05 1jdu s ARG 16 CO 0.91 -0.10 -0.04 0.08 0.02 0.00 0.00 175.30 176.17 1jdu s VAL 17 N 1.41 0.37 -0.35 3.52 1.01 -0.36 -1.89 120.40 124.11 1jdu s VAL 17 Ca 0.34 -0.13 -0.10 0.00 0.00 0.00 0.00 61.98 62.09 1jdu s VAL 17 Cb -0.17 -0.36 0.02 0.00 0.00 0.00 0.00 36.38 35.87 1jdu s VAL 17 CO 0.14 0.14 0.18 -0.22 0.00 0.00 0.00 175.10 175.34 1jdu s LEU 18 N 0.33 4.46 -0.15 3.92 0.20 -0.10 -1.56 118.68 125.78 1jdu s LEU 18 Ca -0.03 -0.83 -0.07 0.00 0.69 0.00 0.00 54.13 53.88 1jdu s LEU 18 Cb -0.07 -2.00 -0.04 0.00 -0.43 0.00 0.00 46.19 43.65 1jdu s LEU 18 CO -0.00 -0.31 0.08 0.68 -0.29 0.00 0.00 176.35 176.50 1jdu s VAL 19 N 1.56 4.96 0.13 1.68 -7.23 -0.76 -1.09 120.40 119.65 1jdu s VAL 19 Ca 0.03 0.02 0.06 0.00 -1.81 0.00 0.00 61.98 60.27 1jdu s VAL 19 Cb -0.18 -3.19 -0.04 0.00 0.56 0.00 0.00 36.38 33.52 1jdu s VAL 19 CO 0.06 0.52 -0.13 0.68 -0.31 0.00 0.00 175.10 175.92 1jdu s VAL 20 N -0.19 1.32 0.13 1.32 -7.23 0.66 -1.11 120.40 115.28 1jdu s VAL 20 Ca 0.08 -1.83 -0.00 0.00 -1.81 0.00 0.00 61.98 58.42 1jdu s VAL 20 Cb -0.12 -1.63 -0.20 0.00 0.56 0.00 0.00 36.38 34.99 1jdu s VAL 20 CO 0.01 -0.51 1.29 1.23 -0.31 0.00 0.00 175.10 176.81 1jdu h GLY 21 N 3.28 0.26 -5.18 2.32 0.00 -1.79 0.19 103.07 102.15 1jdu h GLY 21 Ca -0.39 -0.53 -0.58 0.00 0.00 0.00 0.00 47.33 45.83 1jdu h GLY 21 CO 0.54 0.47 -0.12 -0.35 0.00 0.00 0.00 176.54 177.08 1jdu s ASP 22 N -6.99 6.81 0.21 0.19 -1.08 -1.26 -2.38 116.67 112.17 1jdu s ASP 22 Ca -0.03 0.96 -0.03 0.00 -0.52 0.00 0.00 52.55 52.93 1jdu s ASP 22 Cb 0.09 -2.30 0.18 0.00 -1.46 0.00 0.00 42.92 39.43 1jdu s ASP 22 CO 0.85 0.13 1.59 -0.65 0.52 0.00 0.00 175.17 177.60 1jdu h PRO 23 N 5.81 0.67 0.00 4.34 0.11 -1.88 -2.76 132.00 138.29 1jdu h PRO 23 Ca -0.45 -0.32 -0.05 0.00 0.11 0.00 0.00 66.00 65.29 1jdu h PRO 23 Cb 1.20 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1jdu h PRO 23 CO 0.70 0.92 -0.22 0.78 -0.21 0.00 0.00 178.00 179.97 1jdu h GLY 24 N 0.99 0.00 1.24 -0.55 0.00 -1.95 -2.26 103.07 100.53 1jdu h GLY 24 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.09 1jdu h GLY 24 CO 0.07 0.00 -1.24 -0.09 0.00 0.00 0.00 176.54 175.29 1jdu h ARG 25 N 0.00 0.63 -0.57 4.80 2.43 -1.94 -1.57 114.38 118.17 1jdu h ARG 25 Ca -0.00 -0.83 0.03 0.00 -0.81 0.00 0.00 59.98 58.36 1jdu h ARG 25 Cb 0.44 0.27 -0.04 0.00 -0.42 0.00 0.00 29.97 30.22 1jdu h ARG 25 CO 0.03 1.38 0.34 0.00 -1.51 0.00 0.00 179.97 180.21 1jdu h ALA 26 N 0.30 0.74 -0.03 2.80 0.00 -1.21 0.40 119.26 122.25 1jdu h ALA 26 Ca -0.19 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1jdu h ALA 26 Cb 1.91 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.53 1jdu h ALA 26 CO 0.24 0.06 0.00 -0.09 0.00 0.00 0.00 179.25 179.46 1jdu h ARG 27 N 0.67 0.05 -0.70 0.00 2.43 -1.46 -0.07 114.38 115.31 1jdu h ARG 27 Ca 0.23 -0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.46 1jdu h ARG 27 Cb 0.03 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.51 1jdu h ARG 27 CO -0.10 0.32 0.37 1.25 -1.51 0.00 0.00 179.97 180.30 1jdu h LEU 28 N -0.22 0.52 -0.38 3.80 5.85 -0.85 -1.56 115.31 122.48 1jdu h LEU 28 Ca 0.01 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1jdu h LEU 28 Cb 0.29 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1jdu h LEU 28 CO 0.00 0.31 0.00 -0.07 -0.34 0.00 0.00 178.44 178.35 1jdu h LEU 29 N 0.65 0.00 -1.73 2.25 3.38 -0.07 -3.13 115.31 116.65 1jdu h LEU 29 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1jdu h LEU 29 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1jdu h LEU 29 CO -0.23 0.00 0.00 0.77 0.09 0.00 0.00 178.44 179.07 1jdu h SER 30 N 0.00 0.00 0.78 -0.43 4.64 0.07 -1.70 113.55 116.91 1jdu h SER 30 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jdu h SER 30 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1jdu h SER 30 CO 0.00 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.31 1jdu n THR 31 N -2.68 0.56 1.60 2.95 -2.24 -1.18 -2.00 114.28 111.29 1jdu n THR 31 Ca -0.01 0.11 0.14 0.00 -2.27 0.00 0.00 64.05 62.03 1jdu n THR 31 Cb 0.15 -0.79 0.64 0.00 -2.10 0.00 0.00 70.33 68.23 1jdu n THR 31 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1jdu n LEU 32 N -1.61 0.89 -4.97 3.22 4.77 -0.64 -4.86 117.00 113.80 1jdu n LEU 32 Ca 0.05 -0.26 -0.21 0.00 -0.03 0.00 0.00 56.01 55.55 1jdu n LEU 32 Cb 0.26 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.29 1jdu n LEU 32 CO 0.20 0.15 -0.01 -0.76 -1.33 0.00 0.00 177.39 175.65 1jdu s LEU 33 N -2.12 4.27 -0.18 2.23 1.43 -0.85 -4.94 118.68 118.52 1jdu s LEU 33 Ca 0.38 0.10 -0.19 0.00 -1.03 0.00 0.00 54.13 53.39 1jdu s LEU 33 Cb 0.21 -2.91 -0.03 0.00 0.03 0.00 0.00 46.19 43.49 1jdu s LEU 33 CO 0.38 -0.12 0.54 -1.10 0.23 0.00 0.00 176.35 176.29 1jdu s GLN 34 N -4.03 4.22 -1.21 1.70 -0.21 0.76 -4.36 119.66 116.54 1jdu s GLN 34 Ca 0.35 0.47 -0.05 0.00 0.02 0.00 0.00 55.36 56.15 1jdu s GLN 34 Cb -0.09 -3.54 -0.02 0.00 1.00 0.00 0.00 33.01 30.36 1jdu s GLN 34 CO 0.30 -0.12 0.80 -1.71 -2.12 0.00 0.00 175.29 172.44 1jdu n ASN 35 N 4.64 -3.17 -4.71 5.90 5.15 -1.26 -1.62 115.26 120.20 1jdu n ASN 35 Ca -0.04 -0.81 -0.43 0.00 -0.60 0.00 0.00 54.58 52.69 1jdu n ASN 35 Cb 0.50 -4.29 -0.02 0.00 -0.53 0.00 0.00 39.78 35.44 1jdu n ASN 35 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1jdu n PRO 36 N -4.02 2.36 -4.17 1.20 -0.02 -1.26 -4.62 135.00 124.47 1jdu n PRO 36 Ca -0.21 0.84 -0.23 0.00 -2.02 0.00 0.00 63.50 61.88 1jdu n PRO 36 Cb 0.65 -2.56 -0.17 0.00 -0.02 0.00 0.00 33.50 31.40 1jdu n PRO 36 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1jdu s LYS 37 N -0.37 1.20 -0.42 -0.52 -0.14 0.66 -4.95 119.74 115.20 1jdu s LYS 37 Ca 0.67 -0.20 -0.29 0.00 -1.36 0.00 0.00 55.97 54.80 1jdu s LYS 37 Cb -0.58 -1.18 0.01 0.00 -1.68 0.00 0.00 37.83 34.40 1jdu s LYS 37 CO 0.48 -0.12 1.44 -1.17 -0.76 0.00 0.00 175.35 175.22 1jdu s LEU 38 N 1.17 3.56 0.00 3.17 2.96 -1.26 -0.94 118.68 127.33 1jdu s LEU 38 Ca -0.06 0.80 0.24 0.00 -0.22 0.00 0.00 54.13 54.89 1jdu s LEU 38 Cb -0.14 -3.49 0.23 0.00 0.50 0.00 0.00 46.19 43.29 1jdu s LEU 38 CO -0.01 -1.49 1.25 0.35 -1.32 0.00 0.00 176.35 175.13 1jdu n THR 39 N 7.09 0.00 -3.61 3.68 -2.24 0.11 -4.97 114.28 114.34 1jdu n THR 39 Ca 0.17 -0.32 -0.08 0.00 -2.27 0.00 0.00 64.05 61.54 1jdu n THR 39 Cb 0.48 1.18 -0.06 0.00 -2.10 0.00 0.00 70.33 69.83 1jdu n THR 39 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1jdu s ASN 40 N -2.28 -0.30 0.00 3.42 2.47 -1.19 -3.77 114.94 113.28 1jdu s ASN 40 Ca 0.24 0.44 0.00 0.00 0.42 0.00 0.00 52.86 53.96 1jdu s ASN 40 Cb 0.19 0.40 0.00 0.00 -1.45 0.00 0.00 41.25 40.39 1jdu s ASN 40 CO 0.46 -0.20 0.48 -1.84 -3.72 0.00 0.00 177.10 172.27 1jdu n GLU 41 N 1.21 0.00 -2.22 0.43 0.28 -1.26 -1.77 120.64 117.31 1jdu n GLU 41 Ca -0.09 -0.43 -0.41 0.00 -0.16 0.00 0.00 57.16 56.06 1jdu n GLU 41 Cb 0.57 -0.33 -0.03 0.00 1.43 0.00 0.00 31.44 33.08 1jdu n GLU 41 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 1jdu s ASN 42 N -0.20 6.89 -0.90 -1.84 2.47 -1.26 -2.60 114.94 117.51 1jdu s ASN 42 Ca 0.00 2.37 0.00 0.00 0.42 0.00 0.00 52.86 55.65 1jdu s ASN 42 Cb 0.00 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 37.20 1jdu s ASN 42 CO 0.00 -0.54 0.00 0.54 -3.72 0.00 0.00 177.10 173.38 1jdu n ARG 43 N 2.91 -1.58 -0.46 0.43 1.74 -1.26 -2.27 116.66 116.17 1jdu n ARG 43 Ca 0.07 0.77 0.00 0.00 -0.77 0.00 0.00 57.85 57.92 1jdu n ARG 43 Cb 0.43 -5.10 0.00 0.00 -1.02 0.00 0.00 32.46 26.77 1jdu n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jdu n GLY 44 N 0.03 1.19 3.55 -0.13 0.00 -1.07 -4.98 105.19 103.77 1jdu n GLY 44 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 1jdu n GLY 44 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jdu s PHE 45 N -3.13 2.98 0.12 1.61 0.40 -0.96 -4.79 117.98 114.20 1jdu s PHE 45 Ca 0.00 -1.75 -0.31 0.00 -0.60 0.00 0.00 56.93 54.27 1jdu s PHE 45 Cb 0.00 -4.63 -0.10 0.00 0.51 0.00 0.00 43.02 38.80 1jdu s PHE 45 CO 0.00 -1.70 1.77 -0.51 0.70 0.00 0.00 175.22 175.49 1jdu s LEU 46 N 3.50 4.39 -0.19 -0.37 1.43 -1.26 -4.32 118.68 121.86 1jdu s LEU 46 Ca 0.51 2.71 0.01 0.00 -1.03 0.00 0.00 54.13 56.33 1jdu s LEU 46 Cb 0.02 -3.57 0.04 0.00 0.03 0.00 0.00 46.19 42.71 1jdu s LEU 46 CO 0.05 -0.97 -0.12 -0.69 0.23 0.00 0.00 176.35 174.85 1jdu s VAL 47 N 2.49 1.72 -0.01 -1.59 1.01 -0.73 -2.00 120.40 121.30 1jdu s VAL 47 Ca 0.78 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 61.78 1jdu s VAL 47 Cb -0.45 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 1jdu s VAL 47 CO 0.35 0.23 -0.01 -0.31 0.00 0.00 0.00 175.10 175.36 1jdu s TYR 48 N 1.37 3.04 0.00 5.22 1.51 0.22 0.04 117.35 128.75 1jdu s TYR 48 Ca -0.00 0.06 0.03 0.00 -1.01 0.00 0.00 57.07 56.15 1jdu s TYR 48 Cb -0.16 -1.67 -0.01 0.00 -0.11 0.00 0.00 41.96 40.02 1jdu s TYR 48 CO -0.09 0.44 -0.08 0.99 -1.11 0.00 0.00 175.55 175.70 1jdu s THR 49 N -1.05 0.66 0.00 -0.71 2.01 -0.12 0.41 115.64 116.85 1jdu s THR 49 Ca 0.18 -0.45 0.00 0.00 0.31 0.00 0.00 61.69 61.74 1jdu s THR 49 Cb -0.11 -0.57 0.00 0.00 0.01 0.00 0.00 72.50 71.82 1jdu s THR 49 CO 0.09 0.13 0.00 0.61 -0.69 0.00 0.00 174.62 174.76 1jdu n GLY 50 N 2.71 1.39 3.56 4.40 0.00 -0.56 -0.24 105.19 116.44 1jdu n GLY 50 Ca -0.14 -0.67 -0.24 0.00 0.00 0.00 0.00 46.02 44.97 1jdu n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jdu s LYS 51 N 0.69 1.94 -0.29 1.61 1.02 -0.64 -0.79 119.74 123.28 1jdu s LYS 51 Ca 0.00 -1.69 -0.12 0.00 0.02 0.00 0.00 55.97 54.18 1jdu s LYS 51 Cb 0.00 -1.90 0.12 0.00 -0.52 0.00 0.00 37.83 35.53 1jdu s LYS 51 CO 0.00 0.28 0.70 -0.47 -0.92 0.00 0.00 175.35 174.94 1jdu s TYR 52 N -2.47 -1.19 -1.45 3.18 5.04 -0.20 -0.17 117.35 120.08 1jdu s TYR 52 Ca 0.32 2.15 -0.11 0.00 -2.44 0.00 0.00 57.07 56.99 1jdu s TYR 52 Cb -0.04 0.72 0.05 0.00 0.35 0.00 0.00 41.96 43.04 1jdu s TYR 52 CO 0.17 -0.59 1.02 0.09 -1.34 0.00 0.00 175.55 174.90 1jdu n ASN 53 N 5.04 -4.87 -3.31 4.32 4.13 -1.26 -1.80 115.26 117.51 1jdu n ASN 53 Ca -0.14 -0.71 -0.22 0.00 1.68 0.00 0.00 54.58 55.19 1jdu n ASN 53 Cb 0.52 -4.29 0.07 0.00 -1.54 0.00 0.00 39.78 34.54 1jdu n ASN 53 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jdu n GLY 54 N -1.76 -0.46 3.12 7.41 0.00 -1.26 -5.00 105.19 107.24 1jdu n GLY 54 Ca -0.01 0.18 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 1jdu n GLY 54 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jdu s GLU 55 N -6.12 0.61 -0.11 1.61 2.56 -0.74 -5.14 118.70 111.37 1jdu s GLU 55 Ca 0.50 -0.78 -0.19 0.00 0.00 0.00 0.00 54.97 54.51 1jdu s GLU 55 Cb -0.22 0.24 -0.04 0.00 2.00 0.00 0.00 34.13 36.11 1jdu s GLU 55 CO 0.62 -0.16 0.50 0.99 -0.56 0.00 0.00 175.26 176.65 1jdu s THR 56 N -2.73 5.17 0.04 -1.70 2.01 -1.26 -1.04 115.64 116.13 1jdu s THR 56 Ca -0.04 1.00 0.02 0.00 0.31 0.00 0.00 61.69 62.98 1jdu s THR 56 Cb -0.00 -3.84 -0.02 0.00 0.01 0.00 0.00 72.50 68.65 1jdu s THR 56 CO -0.05 0.32 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.44 1jdu s VAL 57 N 0.61 0.46 0.13 3.82 1.01 0.03 -4.44 120.40 122.02 1jdu s VAL 57 Ca 0.27 -1.02 0.10 0.00 0.00 0.00 0.00 61.98 61.33 1jdu s VAL 57 Cb -0.15 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 1jdu s VAL 57 CO 0.11 -0.39 -0.23 -0.44 0.00 0.00 0.00 175.10 174.16 1jdu s SER 58 N -1.51 3.56 -0.24 3.32 0.01 -0.79 -1.50 113.70 116.56 1jdu s SER 58 Ca -0.11 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.47 1jdu s SER 58 Cb -0.10 -0.35 0.06 0.00 0.21 0.00 0.00 66.02 65.84 1jdu s SER 58 CO 0.00 0.17 -0.03 -0.63 0.41 0.00 0.00 173.24 173.16 1jdu s ILE 59 N -1.18 1.39 0.19 1.44 1.01 0.17 -0.93 121.20 123.30 1jdu s ILE 59 Ca 0.16 -1.17 0.09 0.00 0.00 0.00 0.00 60.65 59.74 1jdu s ILE 59 Cb -0.10 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 1jdu s ILE 59 CO 0.08 -0.15 -0.11 0.00 0.00 0.00 0.00 174.94 174.76 1jdu s ALA 60 N 1.45 2.90 -0.10 9.38 0.00 -0.25 -0.61 121.76 134.52 1jdu s ALA 60 Ca -0.04 -1.53 -0.11 0.00 0.00 0.00 0.00 51.96 50.28 1jdu s ALA 60 Cb -0.19 -0.66 -0.05 0.00 0.00 0.00 0.00 23.12 22.22 1jdu s ALA 60 CO -0.07 0.44 0.26 0.99 0.00 0.00 0.00 175.76 177.38 1jdu s THR 61 N -1.78 5.31 -0.25 0.00 2.01 -0.85 -0.25 115.64 119.83 1jdu s THR 61 Ca 0.25 0.49 0.02 0.00 0.31 0.00 0.00 61.69 62.76 1jdu s THR 61 Cb -0.08 -3.56 0.02 0.00 0.01 0.00 0.00 72.50 68.89 1jdu s THR 61 CO 0.15 0.53 0.64 0.00 -0.69 0.00 0.00 174.62 175.25 1jdu n HIS 62 N 2.49 0.01 -4.51 4.92 1.44 0.65 -4.75 115.22 115.48 1jdu n HIS 62 Ca -0.16 -0.08 0.00 0.00 -2.01 0.00 0.00 57.72 55.47 1jdu n HIS 62 Cb 0.53 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.63 1jdu n HIS 62 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1jdu n GLY 63 N 0.05 0.01 3.19 -1.39 0.00 -1.00 -3.18 105.19 102.87 1jdu n GLY 63 Ca 0.01 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.74 1jdu n GLY 63 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jdu s ILE 64 N 0.00 2.10 0.00 -0.61 1.01 -1.26 -4.49 121.20 117.94 1jdu s ILE 64 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.67 1jdu s ILE 64 Cb 0.00 -1.83 0.00 0.00 0.01 0.00 0.00 42.46 40.64 1jdu s ILE 64 CO 0.00 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.10 1jdu n GLY 65 N 3.88 2.68 0.30 6.18 0.00 -1.26 -4.61 105.19 112.36 1jdu n GLY 65 Ca -0.20 -1.77 -0.10 0.00 0.00 0.00 0.00 46.02 43.96 1jdu n GLY 65 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jdu h GLY 66 N 0.00 -0.34 0.20 -0.02 0.00 -1.91 -2.17 103.07 98.83 1jdu h GLY 66 Ca 0.00 0.34 0.15 0.00 0.00 0.00 0.00 47.33 47.81 1jdu h GLY 66 CO 0.00 -0.21 0.40 -2.55 0.00 0.00 0.00 176.54 174.18 1jdu h PRO 67 N -0.35 0.55 0.36 4.80 0.11 -1.95 -0.37 132.00 135.16 1jdu h PRO 67 Ca 0.10 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.16 1jdu h PRO 67 Cb 0.50 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.49 1jdu h PRO 67 CO -0.32 0.37 -0.17 1.03 -0.21 0.00 0.00 178.00 178.69 1jdu h SER 68 N 0.57 -0.41 -0.04 -2.05 0.87 -1.73 -2.74 113.55 108.02 1jdu h SER 68 Ca 0.45 -0.13 -0.05 0.00 -1.23 0.00 0.00 61.79 60.83 1jdu h SER 68 Cb 0.65 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.70 1jdu h SER 68 CO -0.37 -0.08 -0.10 -0.29 -0.53 0.00 0.00 176.83 175.46 1jdu h ILE 69 N -0.77 1.19 -0.67 2.23 2.10 -1.22 -2.01 117.51 118.35 1jdu h ILE 69 Ca -0.05 -0.80 -0.01 0.00 1.08 0.00 0.00 64.86 65.09 1jdu h ILE 69 Cb 0.52 1.15 -0.03 0.00 -1.09 0.00 0.00 36.82 37.36 1jdu h ILE 69 CO 0.08 0.25 0.39 0.00 -1.08 0.00 0.00 178.15 177.80 1jdu h ALA 70 N 1.60 0.85 -0.43 0.18 0.00 -1.07 0.82 119.26 121.20 1jdu h ALA 70 Ca 0.06 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1jdu h ALA 70 Cb 0.37 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1jdu h ALA 70 CO 0.02 0.34 0.12 0.82 0.00 0.00 0.00 179.25 180.54 1jdu h ILE 71 N 0.91 1.23 -0.54 0.00 2.04 -1.12 -1.88 117.51 118.14 1jdu h ILE 71 Ca 0.24 -0.78 -0.11 0.00 1.00 0.00 0.00 64.86 65.21 1jdu h ILE 71 Cb -0.01 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1jdu h ILE 71 CO -0.04 0.28 -0.08 0.58 0.00 0.00 0.00 178.15 178.89 1jdu h VAL 72 N 0.57 1.27 -0.03 1.67 2.07 -0.94 -2.44 116.25 118.41 1jdu h VAL 72 Ca 0.14 -1.22 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 1jdu h VAL 72 Cb 0.30 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1jdu h VAL 72 CO -0.00 0.43 0.01 -0.07 0.02 0.00 0.00 177.57 177.96 1jdu h LEU 73 N 0.89 0.05 -0.78 2.57 3.38 -0.78 -0.86 115.31 119.78 1jdu h LEU 73 Ca 0.15 -0.25 0.15 0.00 0.09 0.00 0.00 57.88 58.01 1jdu h LEU 73 Cb 0.63 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.27 1jdu h LEU 73 CO 0.04 0.29 0.32 -0.33 0.09 0.00 0.00 178.44 178.86 1jdu h GLU 74 N -0.19 0.45 0.08 1.13 4.39 -1.26 0.73 114.58 119.91 1jdu h GLU 74 Ca 0.01 -0.03 -0.26 0.00 0.34 0.00 0.00 59.36 59.42 1jdu h GLU 74 Cb 0.26 -0.10 0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1jdu h GLU 74 CO 0.00 0.30 -1.13 0.93 -1.16 0.00 0.00 179.01 177.94 1jdu h GLU 75 N 0.46 0.44 -0.81 2.33 5.08 -1.36 -2.11 114.58 118.60 1jdu h GLU 75 Ca 0.44 -0.58 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 1jdu h GLU 75 Cb 0.68 0.19 -0.04 0.00 0.50 0.00 0.00 28.75 30.08 1jdu h GLU 75 CO -0.41 1.23 0.34 -0.07 -1.00 0.00 0.00 179.01 179.10 1jdu h LEU 76 N 0.20 1.11 -0.63 1.33 3.38 -0.64 -2.20 115.31 117.86 1jdu h LEU 76 Ca -0.13 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.60 1jdu h LEU 76 Cb 1.81 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 42.25 1jdu h LEU 76 CO 0.20 0.97 0.12 0.00 0.09 0.00 0.00 178.44 179.82 1jdu h ALA 77 N 1.19 0.83 0.00 1.53 0.00 -0.86 -1.21 119.26 120.75 1jdu h ALA 77 Ca 0.27 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1jdu h ALA 77 Cb 0.20 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1jdu h ALA 77 CO -0.03 0.58 0.00 0.52 0.00 0.00 0.00 179.25 180.32 1jdu h MET 78 N 0.94 0.00 -0.68 0.00 2.86 -0.92 0.15 114.93 117.28 1jdu h MET 78 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1jdu h MET 78 Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1jdu h MET 78 CO 0.01 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.26 1jdu n LEU 79 N -2.96 3.92 0.00 1.22 4.77 -0.63 -4.96 117.00 118.37 1jdu n LEU 79 Ca -0.02 -2.05 0.00 0.00 -0.03 0.00 0.00 56.01 53.91 1jdu n LEU 79 Cb 0.13 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1jdu n LEU 79 CO 0.21 0.94 0.00 0.61 -1.33 0.00 0.00 177.39 177.82 1jdu n GLY 80 N 1.46 1.75 3.74 -0.72 0.00 0.04 -4.15 105.19 107.32 1jdu n GLY 80 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 1jdu n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jdu s ALA 81 N -2.14 3.42 0.00 4.61 0.00 -0.55 -4.39 121.76 122.70 1jdu s ALA 81 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1jdu s ALA 81 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1jdu s ALA 81 CO 0.00 -0.31 0.31 0.27 0.00 0.00 0.00 175.76 176.04 1jdu n ASN 82 N 2.23 0.00 -3.72 0.00 0.23 -0.99 -3.98 115.26 109.03 1jdu n ASN 82 Ca 0.03 -1.00 -0.24 0.00 -0.53 0.00 0.00 54.58 52.84 1jdu n ASN 82 Cb 0.45 0.00 -0.17 0.00 -2.08 0.00 0.00 39.78 37.98 1jdu n ASN 82 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1jdu s VAL 83 N 0.00 0.30 -0.05 3.53 1.01 -0.98 -1.35 120.40 122.85 1jdu s VAL 83 Ca 0.00 -0.09 0.04 0.00 0.00 0.00 0.00 61.98 61.93 1jdu s VAL 83 Cb 0.00 -0.65 -0.00 0.00 0.00 0.00 0.00 36.38 35.73 1jdu s VAL 83 CO 0.00 0.03 -0.18 -0.36 0.00 0.00 0.00 175.10 174.59 1jdu s PHE 84 N 1.99 1.83 -0.25 5.22 0.40 0.32 -1.22 117.98 126.27 1jdu s PHE 84 Ca 0.03 -0.56 0.00 0.00 -0.60 0.00 0.00 56.93 55.80 1jdu s PHE 84 Cb -0.14 -1.23 0.07 0.00 0.51 0.00 0.00 43.02 42.22 1jdu s PHE 84 CO -0.06 -0.20 -0.01 0.42 0.70 0.00 0.00 175.22 176.07 1jdu s ILE 85 N 0.09 1.37 0.23 0.64 1.01 -0.60 -1.48 121.20 122.46 1jdu s ILE 85 Ca -0.06 -1.26 -0.30 0.00 0.00 0.00 0.00 60.65 59.04 1jdu s ILE 85 Cb -0.13 -1.75 -0.09 0.00 0.01 0.00 0.00 42.46 40.50 1jdu s ILE 85 CO 0.03 -0.24 1.03 -0.60 0.00 0.00 0.00 174.94 175.16 1jdu s ARG 86 N 1.44 4.72 -0.13 2.79 3.52 -0.68 -1.84 118.95 128.78 1jdu s ARG 86 Ca -0.02 1.65 -0.02 0.00 -0.13 0.00 0.00 55.73 57.21 1jdu s ARG 86 Cb -0.18 -3.25 0.04 0.00 -1.56 0.00 0.00 34.95 30.00 1jdu s ARG 86 CO -0.09 0.30 0.03 -0.47 -0.81 0.00 0.00 175.30 174.26 1jdu s TYR 87 N -0.91 0.72 0.00 5.12 5.04 -0.27 -1.61 117.35 125.43 1jdu s TYR 87 Ca 0.44 -0.43 0.00 0.00 -2.44 0.00 0.00 57.07 54.64 1jdu s TYR 87 Cb -0.29 -0.86 0.00 0.00 0.35 0.00 0.00 41.96 41.16 1jdu s TYR 87 CO 0.36 -0.45 0.00 0.41 -1.34 0.00 0.00 175.55 174.53 1jdu n GLY 88 N 5.13 3.59 3.73 8.97 0.00 -1.08 -4.40 105.19 121.13 1jdu n GLY 88 Ca -0.08 -1.17 -0.23 0.00 0.00 0.00 0.00 46.02 44.55 1jdu n GLY 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jdu s THR 89 N -2.25 3.22 0.17 2.61 -4.23 -1.26 0.18 115.64 114.08 1jdu s THR 89 Ca 0.00 -1.71 -0.23 0.00 -1.18 0.00 0.00 61.69 58.57 1jdu s THR 89 Cb 0.00 -2.99 0.06 0.00 1.34 0.00 0.00 72.50 70.91 1jdu s THR 89 CO 0.00 -0.23 0.72 0.28 -0.54 0.00 0.00 174.62 174.84 1jdu s THR 90 N -2.38 0.00 -0.21 3.99 -1.32 -0.01 -4.76 115.64 110.94 1jdu s THR 90 Ca 0.36 -0.36 -0.07 0.00 -1.21 0.00 0.00 61.69 60.41 1jdu s THR 90 Cb -0.04 -1.39 -0.03 0.00 -1.51 0.00 0.00 72.50 69.52 1jdu s THR 90 CO 0.22 0.00 0.06 -0.83 -2.21 0.00 0.00 174.62 171.87 1jdu s GLY 91 N -2.78 1.83 0.41 6.08 0.00 -1.12 -1.19 107.32 110.55 1jdu s GLY 91 Ca 0.06 -0.93 -0.23 0.00 0.00 0.00 0.00 44.72 43.61 1jdu s GLY 91 CO -0.05 0.28 1.06 0.00 0.00 0.00 0.00 173.10 174.39 1jdu s ALA 92 N 0.97 3.05 -1.96 3.20 0.00 0.13 -0.52 121.76 126.64 1jdu s ALA 92 Ca 0.04 0.71 0.18 0.00 0.00 0.00 0.00 51.96 52.89 1jdu s ALA 92 Cb -0.14 -3.28 0.06 0.00 0.00 0.00 0.00 23.12 19.77 1jdu s ALA 92 CO 0.03 -0.26 1.00 1.28 0.00 0.00 0.00 175.76 177.81 1jdu n LEU 93 N -0.20 2.11 -4.29 0.00 4.77 0.44 -1.08 117.00 118.75 1jdu n LEU 93 Ca 0.06 -0.87 -0.28 0.00 -0.03 0.00 0.00 56.01 54.89 1jdu n LEU 93 Cb 0.50 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.44 1jdu n LEU 93 CO 0.45 0.38 -0.54 0.68 -1.33 0.00 0.00 177.39 177.02 1jdu s VAL 94 N -1.84 1.89 0.22 4.08 -7.23 -1.24 -4.69 120.40 111.58 1jdu s VAL 94 Ca 0.18 -1.27 -0.04 0.00 -1.81 0.00 0.00 61.98 59.04 1jdu s VAL 94 Cb 0.15 -1.63 0.03 0.00 0.56 0.00 0.00 36.38 35.50 1jdu s VAL 94 CO 0.36 0.30 1.63 -0.65 -0.31 0.00 0.00 175.10 176.42 1jdu h PRO 95 N 4.87 0.73 0.00 4.82 0.11 -1.92 -3.28 132.00 137.33 1jdu h PRO 95 Ca -0.44 -0.30 0.00 0.00 0.11 0.00 0.00 66.00 65.37 1jdu h PRO 95 Cb 1.15 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1jdu h PRO 95 CO 0.44 0.90 0.00 2.48 -0.21 0.00 0.00 178.00 181.61 1jdu n TYR 96 N -4.10 0.00 -4.02 0.65 0.18 -1.26 -4.63 117.16 103.98 1jdu n TYR 96 Ca -0.00 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.43 1jdu n TYR 96 Cb 0.44 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.29 1jdu n TYR 96 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1jdu s ILE 97 N -2.00 4.51 0.34 -3.48 1.01 -1.24 -5.10 121.20 115.24 1jdu s ILE 97 Ca 0.16 -0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.70 1jdu s ILE 97 Cb 0.07 -3.04 -0.03 0.00 0.01 0.00 0.00 42.46 39.47 1jdu s ILE 97 CO 0.12 0.43 0.53 0.20 0.00 0.00 0.00 174.94 176.22 1jdu s ASN 98 N 0.70 6.21 0.44 3.58 0.01 -1.26 -4.94 114.94 119.67 1jdu s ASN 98 Ca 0.02 0.31 -0.25 0.00 -0.71 0.00 0.00 52.86 52.24 1jdu s ASN 98 Cb -0.13 -1.87 -0.08 0.00 0.41 0.00 0.00 41.25 39.58 1jdu s ASN 98 CO 0.02 -0.32 1.28 -0.76 -1.51 0.00 0.00 177.10 175.80 1jdu s LEU 99 N -4.28 4.11 0.00 0.60 1.43 -1.26 -2.71 118.68 116.57 1jdu s LEU 99 Ca 0.40 2.58 0.00 0.00 -1.03 0.00 0.00 54.13 56.09 1jdu s LEU 99 Cb -0.10 -4.04 0.00 0.00 0.03 0.00 0.00 46.19 42.08 1jdu s LEU 99 CO 0.35 -0.98 0.00 0.61 0.23 0.00 0.00 176.35 176.56 1jdu n GLY 100 N 0.63 2.72 3.89 -3.19 0.00 -0.11 -5.00 105.19 104.12 1jdu n GLY 100 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1jdu n GLY 100 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jdu s GLU 101 N -0.42 2.67 0.28 1.61 2.02 -1.10 -4.77 118.70 119.00 1jdu s GLU 101 Ca 0.00 0.30 0.08 0.00 0.02 0.00 0.00 54.97 55.37 1jdu s GLU 101 Cb 0.00 -2.05 -0.04 0.00 0.10 0.00 0.00 34.13 32.14 1jdu s GLU 101 CO 0.00 -1.10 0.13 0.71 0.02 0.00 0.00 175.26 175.02 1jdu s TYR 102 N -3.34 2.89 -0.16 1.61 1.51 -0.52 -1.79 117.35 117.54 1jdu s TYR 102 Ca 0.58 -0.21 -0.02 0.00 -1.01 0.00 0.00 57.07 56.41 1jdu s TYR 102 Cb -0.11 -1.41 0.05 0.00 -0.11 0.00 0.00 41.96 40.37 1jdu s TYR 102 CO 0.50 0.49 0.01 0.42 -1.11 0.00 0.00 175.55 175.85 1jdu s ILE 103 N -2.26 0.67 -0.34 2.71 1.01 0.42 -0.90 121.20 122.51 1jdu s ILE 103 Ca 0.34 -0.46 -0.21 0.00 0.00 0.00 0.00 60.65 60.32 1jdu s ILE 103 Cb -0.06 -1.02 0.00 0.00 0.01 0.00 0.00 42.46 41.39 1jdu s ILE 103 CO 0.23 -0.03 0.69 -0.63 0.00 0.00 0.00 174.94 175.20 1jdu s ILE 104 N 1.81 4.85 0.05 2.92 1.01 -0.24 -0.61 121.20 131.00 1jdu s ILE 104 Ca 0.00 0.78 -0.30 0.00 0.00 0.00 0.00 60.65 61.13 1jdu s ILE 104 Cb -0.16 -4.10 -0.05 0.00 0.01 0.00 0.00 42.46 38.16 1jdu s ILE 104 CO -0.07 -0.30 1.14 -0.69 0.00 0.00 0.00 174.94 175.01 1jdu s VAL 105 N 2.81 4.24 -0.52 2.92 1.01 -0.77 -2.77 120.40 127.31 1jdu s VAL 105 Ca 0.27 1.63 0.09 0.00 0.00 0.00 0.00 61.98 63.96 1jdu s VAL 105 Cb -0.14 -4.04 -0.07 0.00 0.00 0.00 0.00 36.38 32.13 1jdu s VAL 105 CO 0.14 0.14 0.43 0.35 0.00 0.00 0.00 175.10 176.16 1jdu n THR 106 N 3.82 0.00 -3.62 3.92 -2.24 -0.20 -4.54 114.28 111.42 1jdu n THR 106 Ca 0.08 -0.33 -0.03 0.00 -2.27 0.00 0.00 64.05 61.50 1jdu n THR 106 Cb 0.48 1.03 -0.03 0.00 -2.10 0.00 0.00 70.33 69.71 1jdu n THR 106 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1jdu s GLY 107 N -1.66 -0.19 -0.07 3.38 0.00 -1.26 -4.36 107.32 103.15 1jdu s GLY 107 Ca 0.04 1.95 0.01 0.00 0.00 0.00 0.00 44.72 46.72 1jdu s GLY 107 CO 0.32 0.69 -0.08 0.00 0.00 0.00 0.00 173.10 174.03 1jdu s ALA 108 N -1.99 1.08 0.34 3.20 0.00 -0.55 -0.87 121.76 122.96 1jdu s ALA 108 Ca 0.10 -0.33 -0.06 0.00 0.00 0.00 0.00 51.96 51.67 1jdu s ALA 108 Cb -0.01 -0.63 -0.05 0.00 0.00 0.00 0.00 23.12 22.43 1jdu s ALA 108 CO -0.04 -0.10 0.62 -1.12 0.00 0.00 0.00 175.76 175.12 1jdu s SER 109 N 1.11 6.44 0.07 0.00 0.01 -0.08 -4.58 113.70 116.67 1jdu s SER 109 Ca -0.07 0.81 -0.26 0.00 1.31 0.00 0.00 55.95 57.74 1jdu s SER 109 Cb -0.14 -2.19 0.09 0.00 0.21 0.00 0.00 66.02 63.99 1jdu s SER 109 CO -0.01 -0.28 0.79 -0.72 0.41 0.00 0.00 173.24 173.43 1jdu s TYR 110 N -2.22 -0.39 0.04 2.43 1.13 -1.26 -1.10 117.35 115.98 1jdu s TYR 110 Ca 0.46 0.20 -0.16 0.00 -1.41 0.00 0.00 57.07 56.15 1jdu s TYR 110 Cb -0.10 0.56 -0.06 0.00 -1.10 0.00 0.00 41.96 41.25 1jdu s TYR 110 CO 0.32 -0.69 0.48 -0.80 -2.51 0.00 0.00 175.55 172.35 1jdu s ASN 111 N -2.62 6.90 0.87 -0.18 0.01 -1.26 -5.05 114.94 113.60 1jdu s ASN 111 Ca 0.04 1.08 -0.11 0.00 -0.71 0.00 0.00 52.86 53.17 1jdu s ASN 111 Cb -0.01 -2.29 0.11 0.00 0.41 0.00 0.00 41.25 39.47 1jdu s ASN 111 CO -0.09 0.28 1.10 -1.10 -1.51 0.00 0.00 177.10 175.79 1jdu s GLN 112 N -1.19 1.48 0.00 -0.60 -0.21 -1.26 -4.94 119.66 112.93 1jdu s GLN 112 Ca 0.27 1.19 0.00 0.00 0.02 0.00 0.00 55.36 56.84 1jdu s GLN 112 Cb -0.18 -1.81 0.00 0.00 1.00 0.00 0.00 33.01 32.03 1jdu s GLN 112 CO 0.16 -2.20 0.00 0.41 -2.12 0.00 0.00 175.29 171.54 1jdu n GLY 113 N -0.64 0.54 0.00 3.09 0.00 -1.26 -5.03 105.19 101.88 1jdu n GLY 113 Ca 0.09 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 43.85 1jdu n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jdu n GLY 114 N 0.00 0.00 0.25 -0.02 0.00 -1.26 -0.85 105.19 103.31 1jdu n GLY 114 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1jdu n GLY 114 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jdu h LEU 115 N 0.00 -0.52 -1.00 0.99 6.46 -1.98 -0.32 115.31 118.94 1jdu h LEU 115 Ca 0.00 0.19 -0.01 0.00 -0.12 0.00 0.00 57.88 57.94 1jdu h LEU 115 Cb 0.00 0.37 -0.04 0.00 -0.73 0.00 0.00 40.66 40.26 1jdu h LEU 115 CO 0.00 -0.20 0.50 -0.26 -0.62 0.00 0.00 178.44 177.86 1jdu h PHE 116 N 0.03 1.17 -0.36 1.25 -1.00 -1.38 -1.43 116.94 115.20 1jdu h PHE 116 Ca 0.32 -0.02 -0.06 0.00 2.81 0.00 0.00 57.97 61.03 1jdu h PHE 116 Cb 0.51 -0.38 -0.01 0.00 3.61 0.00 0.00 35.95 39.68 1jdu h PHE 116 CO -0.49 0.79 -0.01 -0.92 -1.61 0.00 0.00 178.31 176.08 1jdu h TYR 117 N 1.21 0.71 -0.69 -0.55 3.20 0.52 0.17 116.97 121.53 1jdu h TYR 117 Ca 0.31 -0.13 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 1jdu h TYR 117 Cb -0.01 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.05 1jdu h TYR 117 CO 0.01 0.75 0.29 1.96 -1.64 0.00 0.00 178.16 179.53 1jdu h GLN 118 N 0.46 1.00 0.09 1.82 4.20 -0.79 0.92 115.11 122.81 1jdu h GLN 118 Ca 0.10 -0.16 -0.18 0.00 0.06 0.00 0.00 58.65 58.48 1jdu h GLN 118 Cb 0.48 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.08 1jdu h GLN 118 CO 0.02 0.80 -0.87 1.88 -0.67 0.00 0.00 178.83 179.99 1jdu h TYR 119 N 0.98 0.34 0.00 2.96 0.05 -1.15 -3.36 116.97 116.80 1jdu h TYR 119 Ca 0.23 -0.25 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1jdu h TYR 119 Cb 0.17 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.89 1jdu h TYR 119 CO 0.01 1.34 -0.04 1.28 -1.05 0.00 0.00 178.16 179.70 1jdu n LEU 120 N -4.20 0.30 0.00 3.88 4.77 0.57 -4.93 117.00 117.39 1jdu n LEU 120 Ca -0.18 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1jdu n LEU 120 Cb 0.76 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1jdu n LEU 120 CO 0.40 -0.05 0.00 0.54 -1.33 0.00 0.00 177.39 176.95 1jdu n ARG 121 N -1.76 -1.26 -3.89 3.23 1.74 0.32 -4.89 116.66 110.15 1jdu n ARG 121 Ca 0.06 0.32 -0.02 0.00 -0.77 0.00 0.00 57.85 57.44 1jdu n ARG 121 Cb 0.37 -4.43 0.02 0.00 -1.02 0.00 0.00 32.46 27.40 1jdu n ARG 121 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1jdu s ASP 122 N -2.04 -0.00 -0.03 0.55 3.84 -1.24 -5.03 116.67 112.71 1jdu s ASP 122 Ca 0.00 -0.58 0.11 0.00 -0.00 0.00 0.00 52.55 52.08 1jdu s ASP 122 Cb 0.00 0.44 0.36 0.00 -1.38 0.00 0.00 42.92 42.34 1jdu s ASP 122 CO 0.00 -0.86 1.25 0.59 -0.00 0.00 0.00 175.17 176.15 1jdu n ASN 123 N -1.15 2.41 -4.74 2.11 3.02 -1.26 -4.53 115.26 111.12 1jdu n ASN 123 Ca -0.02 -2.12 -0.39 0.00 -0.03 0.00 0.00 54.58 52.02 1jdu n ASN 123 Cb 0.59 -0.34 0.03 0.00 -0.61 0.00 0.00 39.78 39.46 1jdu n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jdu n ALA 124 N 0.56 1.62 -2.92 5.41 0.00 -1.26 -4.91 120.51 119.01 1jdu n ALA 124 Ca 0.13 0.17 -0.44 0.00 0.00 0.00 0.00 53.44 53.30 1jdu n ALA 124 Cb 0.43 -2.35 -0.02 0.00 0.00 0.00 0.00 19.45 17.51 1jdu n ALA 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jdu s VAL 126 N 2.40 3.90 -0.19 0.00 1.01 -1.26 -4.92 120.40 121.35 1jdu s VAL 126 Ca 0.37 1.47 -0.37 0.00 0.00 0.00 0.00 61.98 63.45 1jdu s VAL 126 Cb -0.04 -3.94 -0.13 0.00 0.00 0.00 0.00 36.38 32.26 1jdu s VAL 126 CO -0.06 0.18 1.84 0.00 0.00 0.00 0.00 175.10 177.05 1jdu n ALA 127 N 3.23 0.42 -3.36 5.51 0.00 -1.26 -4.89 120.51 120.17 1jdu n ALA 127 Ca 0.06 0.31 -0.46 0.00 0.00 0.00 0.00 53.44 53.36 1jdu n ALA 127 Cb 0.46 -2.38 -0.02 0.00 0.00 0.00 0.00 19.45 17.51 1jdu n ALA 127 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1jdu s SER 128 N 4.00 6.79 0.15 0.00 0.15 -1.26 -4.75 113.70 118.78 1jdu s SER 128 Ca 0.96 -2.91 0.05 0.00 0.70 0.00 0.00 55.95 54.75 1jdu s SER 128 Cb -0.87 -2.19 -0.04 0.00 -1.71 0.00 0.00 66.02 61.21 1jdu s SER 128 CO 0.58 -0.50 -0.12 0.42 1.20 0.00 0.00 173.24 174.83 1jdu s THR 129 N -0.18 1.29 0.85 6.45 -4.23 -1.26 -1.49 115.64 117.07 1jdu s THR 129 Ca 0.21 -1.98 -0.10 0.00 -1.18 0.00 0.00 61.69 58.64 1jdu s THR 129 Cb -0.10 -1.77 0.15 0.00 1.34 0.00 0.00 72.50 72.12 1jdu s THR 129 CO -0.09 -0.63 1.17 -2.16 -0.54 0.00 0.00 174.62 172.38 1jdu s PRO 130 N -3.41 1.22 0.05 3.99 0.04 -1.26 -4.68 135.00 130.95 1jdu s PRO 130 Ca 0.15 -0.59 -0.31 0.00 0.04 0.00 0.00 61.00 60.29 1jdu s PRO 130 Cb -0.00 -2.05 -0.06 0.00 0.04 0.00 0.00 34.50 32.43 1jdu s PRO 130 CO 0.02 -1.93 1.30 0.34 0.04 0.00 0.00 177.00 176.77 1jdu s ASP 131 N -4.78 6.95 0.10 6.66 2.15 0.24 -4.94 116.67 123.06 1jdu s ASP 131 Ca 0.69 2.10 -0.25 0.00 0.43 0.00 0.00 52.55 55.52 1jdu s ASP 131 Cb -0.05 -2.57 -0.11 0.00 -0.30 0.00 0.00 42.92 39.89 1jdu s ASP 131 CO 0.49 -0.59 1.68 0.15 -0.17 0.00 0.00 175.17 176.73 1jdu h PHE 132 N 7.11 -0.39 0.27 -5.34 3.04 -1.95 -1.42 116.94 118.27 1jdu h PHE 132 Ca -0.40 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.56 1jdu h PHE 132 Cb 1.20 0.16 -0.03 0.00 2.56 0.00 0.00 35.95 39.84 1jdu h PHE 132 CO 0.69 -0.23 -0.33 0.93 -2.02 0.00 0.00 178.31 177.36 1jdu h GLU 133 N -0.31 -0.62 -0.69 1.11 5.08 -1.98 -1.82 114.58 115.36 1jdu h GLU 133 Ca 0.02 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.49 1jdu h GLU 133 Cb 0.31 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 1jdu h GLU 133 CO -0.07 -0.42 0.45 1.25 -1.00 0.00 0.00 179.01 179.23 1jdu h LEU 134 N -0.65 0.60 -0.48 1.33 5.85 -1.91 -0.27 115.31 119.78 1jdu h LEU 134 Ca -0.00 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.55 1jdu h LEU 134 Cb 0.61 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1jdu h LEU 134 CO -0.10 0.39 -0.56 0.74 -0.34 0.00 0.00 178.44 178.56 1jdu h THR 135 N 0.68 1.32 -0.46 1.05 2.02 -0.98 -1.48 112.91 115.06 1jdu h THR 135 Ca 0.30 -1.81 -0.11 0.00 0.77 0.00 0.00 66.41 65.55 1jdu h THR 135 Cb 0.30 1.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 1jdu h THR 135 CO -0.10 0.57 -0.16 0.78 0.37 0.00 0.00 175.52 176.98 1jdu h ASN 136 N 0.44 0.88 -0.43 4.18 2.35 -0.41 -2.13 115.58 120.46 1jdu h ASN 136 Ca 0.01 -0.30 -0.03 0.00 -0.55 0.00 0.00 56.30 55.42 1jdu h ASN 136 Cb 1.12 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 39.22 1jdu h ASN 136 CO 0.11 1.03 0.17 0.11 -1.65 0.00 0.00 177.43 177.20 1jdu h LYS 137 N 0.77 0.71 -0.33 0.81 1.57 -0.89 -0.80 116.57 118.41 1jdu h LYS 137 Ca 0.12 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1jdu h LYS 137 Cb 0.69 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 1jdu h LYS 137 CO 0.05 0.61 0.16 -0.07 -0.57 0.00 0.00 179.45 179.63 1jdu h LEU 138 N 0.70 0.44 -0.22 2.94 3.38 -0.82 -1.66 115.31 120.08 1jdu h LEU 138 Ca 0.17 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.03 1jdu h LEU 138 Cb 0.19 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1jdu h LEU 138 CO -0.01 0.45 0.05 0.58 0.09 0.00 0.00 178.44 179.60 1jdu h VAL 139 N 0.40 0.91 -0.59 1.22 2.07 -0.75 -1.47 116.25 118.04 1jdu h VAL 139 Ca 0.11 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.64 1jdu h VAL 139 Cb 0.13 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 1jdu h VAL 139 CO -0.01 0.03 0.32 0.74 0.02 0.00 0.00 177.57 178.66 1jdu h THR 140 N 0.14 0.97 0.34 2.57 2.02 -1.01 -2.10 112.91 115.84 1jdu h THR 140 Ca 0.10 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 1jdu h THR 140 Cb 0.09 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 1jdu h THR 140 CO -0.12 0.11 -0.26 0.28 0.37 0.00 0.00 175.52 175.90 1jdu h SER 141 N 0.61 -0.66 -0.53 4.18 0.02 -0.69 -0.56 113.55 115.90 1jdu h SER 141 Ca 0.26 0.05 0.04 0.00 -0.84 0.00 0.00 61.79 61.30 1jdu h SER 141 Cb 0.15 0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 1jdu h SER 141 CO -0.16 -0.39 0.35 -0.26 -1.14 0.00 0.00 176.83 175.23 1jdu h PHE 142 N -0.59 0.56 -0.02 3.45 -1.00 -1.13 -1.87 116.94 116.34 1jdu h PHE 142 Ca -0.03 0.01 -0.24 0.00 2.81 0.00 0.00 57.97 60.53 1jdu h PHE 142 Cb 0.52 -0.19 0.01 0.00 3.61 0.00 0.00 35.95 39.90 1jdu h PHE 142 CO -0.13 0.32 -0.96 1.03 -1.61 0.00 0.00 178.31 176.97 1jdu h SER 143 N 0.58 0.72 0.00 2.17 0.87 -1.22 0.10 113.55 116.78 1jdu h SER 143 Ca 0.22 -0.56 -0.00 0.00 -1.23 0.00 0.00 61.79 60.22 1jdu h SER 143 Cb 0.14 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1jdu h SER 143 CO -0.06 1.36 -0.00 0.50 -0.53 0.00 0.00 176.83 178.10 1jdu h LYS 144 N 0.33 0.00 -0.57 2.24 3.64 -0.31 0.28 116.57 122.18 1jdu h LYS 144 Ca -0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1jdu h LYS 144 Cb 1.59 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.41 1jdu h LYS 144 CO 0.18 0.00 0.00 0.54 -2.27 0.00 0.00 179.45 177.90 1jdu n ARG 145 N -4.15 3.89 -3.97 1.90 1.74 -0.91 -4.97 116.66 110.21 1jdu n ARG 145 Ca -0.03 -2.91 -0.27 0.00 -0.77 0.00 0.00 57.85 53.87 1jdu n ARG 145 Cb 0.09 -1.95 -0.01 0.00 -1.02 0.00 0.00 32.46 29.57 1jdu n ARG 145 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1jdu n ASN 146 N 0.78 -1.07 -4.75 0.55 3.02 0.09 -4.96 115.26 108.92 1jdu n ASN 146 Ca 0.25 -0.98 -0.35 0.00 -0.03 0.00 0.00 54.58 53.47 1jdu n ASN 146 Cb 0.94 -3.15 -0.08 0.00 -0.61 0.00 0.00 39.78 36.88 1jdu n ASN 146 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1jdu s LEU 147 N -7.00 4.24 -0.24 3.41 1.43 0.33 -5.02 118.68 115.83 1jdu s LEU 147 Ca 0.15 0.28 -0.29 0.00 -1.03 0.00 0.00 54.13 53.24 1jdu s LEU 147 Cb -0.08 -2.10 -0.01 0.00 0.03 0.00 0.00 46.19 44.03 1jdu s LEU 147 CO 0.88 0.22 1.44 -0.75 0.23 0.00 0.00 176.35 178.37 1jdu s LYS 148 N 0.13 3.91 0.05 1.70 2.47 -1.26 -4.60 119.74 122.14 1jdu s LYS 148 Ca 0.09 1.50 0.01 0.00 -1.56 0.00 0.00 55.97 56.02 1jdu s LYS 148 Cb -0.11 -3.93 -0.03 0.00 -1.46 0.00 0.00 37.83 32.29 1jdu s LYS 148 CO -0.01 -1.13 -0.06 1.52 0.16 0.00 0.00 175.35 175.84 1jdu s TYR 149 N 4.59 0.61 0.12 4.03 -0.85 -1.26 -1.44 117.35 123.14 1jdu s TYR 149 Ca 0.63 -0.72 0.10 0.00 -0.52 0.00 0.00 57.07 56.56 1jdu s TYR 149 Cb -0.21 -0.38 -0.04 0.00 0.38 0.00 0.00 41.96 41.71 1jdu s TYR 149 CO 0.25 -0.18 -0.25 0.71 -1.52 0.00 0.00 175.55 174.56 1jdu s TYR 150 N -2.44 2.12 -0.15 -3.49 1.51 -0.07 -4.96 117.35 109.87 1jdu s TYR 150 Ca -0.03 -0.39 -0.00 0.00 -1.01 0.00 0.00 57.07 55.64 1jdu s TYR 150 Cb -0.03 -1.15 -0.01 0.00 -0.11 0.00 0.00 41.96 40.66 1jdu s TYR 150 CO -0.03 0.29 -0.14 0.08 -1.11 0.00 0.00 175.55 174.64 1jdu s VAL 151 N -1.09 2.86 -0.28 0.71 1.01 -1.26 -1.08 120.40 121.27 1jdu s VAL 151 Ca 0.11 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1jdu s VAL 151 Cb -0.10 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.07 1jdu s VAL 151 CO 0.05 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1jdu n GLY 152 N 3.92 -1.21 3.90 4.51 0.00 -1.11 -5.00 105.19 110.19 1jdu n GLY 152 Ca -0.19 -0.94 -0.28 0.00 0.00 0.00 0.00 46.02 44.61 1jdu n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jdu s ASN 153 N -1.76 6.44 0.24 1.61 0.01 -1.26 -1.04 114.94 119.19 1jdu s ASN 153 Ca 0.00 0.79 0.08 0.00 -0.71 0.00 0.00 52.86 53.02 1jdu s ASN 153 Cb 0.00 -2.18 -0.05 0.00 0.41 0.00 0.00 41.25 39.43 1jdu s ASN 153 CO 0.00 -0.27 -0.12 0.68 -1.51 0.00 0.00 177.10 175.88 1jdu s VAL 154 N -2.21 1.79 -0.22 1.60 -7.23 -0.05 -1.02 120.40 113.06 1jdu s VAL 154 Ca 0.45 -2.20 -0.07 0.00 -1.81 0.00 0.00 61.98 58.35 1jdu s VAL 154 Cb -0.10 -2.24 -0.03 0.00 0.56 0.00 0.00 36.38 34.57 1jdu s VAL 154 CO 0.32 -0.45 0.06 0.12 -0.31 0.00 0.00 175.10 174.83 1jdu s PHE 155 N -2.93 3.11 -0.57 2.82 5.36 -0.55 -0.90 117.98 124.32 1jdu s PHE 155 Ca 0.26 -0.29 -0.21 0.00 -0.96 0.00 0.00 56.93 55.74 1jdu s PHE 155 Cb 0.01 -2.17 0.07 0.00 -0.34 0.00 0.00 43.02 40.58 1jdu s PHE 155 CO 0.10 -0.20 0.77 -1.12 -1.46 0.00 0.00 175.22 173.30 1jdu s SER 156 N 1.19 6.22 0.29 6.13 0.01 -0.26 -1.95 113.70 125.33 1jdu s SER 156 Ca 0.04 -0.98 -0.14 0.00 1.31 0.00 0.00 55.95 56.18 1jdu s SER 156 Cb -0.14 -2.34 -0.09 0.00 0.21 0.00 0.00 66.02 63.66 1jdu s SER 156 CO 0.03 -1.13 0.69 -0.55 0.41 0.00 0.00 173.24 172.70 1jdu s SER 157 N 3.18 6.76 -0.02 2.44 0.15 0.49 -4.54 113.70 122.16 1jdu s SER 157 Ca 0.18 1.20 0.17 0.00 0.70 0.00 0.00 55.95 58.20 1jdu s SER 157 Cb -0.19 -2.34 -0.25 0.00 -1.71 0.00 0.00 66.02 61.53 1jdu s SER 157 CO 0.11 -0.16 0.39 0.47 1.20 0.00 0.00 173.24 175.25 1jdu n ASP 158 N -0.24 1.16 -3.85 5.45 8.00 -1.26 -4.37 116.55 121.45 1jdu n ASP 158 Ca 0.02 -0.07 -0.30 0.00 0.71 0.00 0.00 54.79 55.15 1jdu n ASP 158 Cb 0.53 1.70 -0.14 0.00 -0.02 0.00 0.00 41.12 43.19 1jdu n ASP 158 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jdu s ALA 159 N -3.10 2.77 0.25 2.24 0.00 -1.26 -4.98 121.76 117.69 1jdu s ALA 159 Ca -0.05 -2.94 -0.02 0.00 0.00 0.00 0.00 51.96 48.95 1jdu s ALA 159 Cb 0.11 -2.03 0.50 0.00 0.00 0.00 0.00 23.12 21.70 1jdu s ALA 159 CO 0.69 -2.02 1.74 0.35 0.00 0.00 0.00 175.76 176.52 1jdu h PHE 160 N 6.66 0.64 -0.31 0.00 3.57 -2.00 -2.28 116.94 123.22 1jdu h PHE 160 Ca -0.05 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1jdu h PHE 160 Cb 0.91 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.49 1jdu h PHE 160 CO 0.50 0.12 0.00 0.66 -2.23 0.00 0.00 178.31 177.36 1jdu n TYR 161 N -4.94 0.40 -1.93 0.41 4.02 -1.26 -4.95 117.16 108.92 1jdu n TYR 161 Ca 0.16 -0.20 -0.38 0.00 -0.01 0.00 0.00 57.90 57.47 1jdu n TYR 161 Cb 0.43 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.78 1jdu n TYR 161 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1jdu s ALA 162 N -1.60 2.80 -0.07 -0.72 0.00 -0.86 -4.97 121.76 116.34 1jdu s ALA 162 Ca 0.36 1.19 -0.13 0.00 0.00 0.00 0.00 51.96 53.38 1jdu s ALA 162 Cb 0.21 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.77 1jdu s ALA 162 CO 0.29 -1.18 0.33 -1.21 0.00 0.00 0.00 175.76 173.99 1jdu s GLU 163 N -2.93 3.92 -0.26 0.00 2.02 -1.26 -5.05 118.70 115.15 1jdu s GLU 163 Ca 0.71 0.23 -0.02 0.00 0.02 0.00 0.00 54.97 55.90 1jdu s GLU 163 Cb -0.36 -3.28 0.14 0.00 0.10 0.00 0.00 34.13 30.74 1jdu s GLU 163 CO 0.42 0.57 0.43 0.34 0.02 0.00 0.00 175.26 177.04 1jdu s ASP 164 N -0.60 -0.12 0.59 -0.19 3.68 -1.26 -5.04 116.67 113.73 1jdu s ASP 164 Ca 0.20 0.38 0.37 0.00 2.13 0.00 0.00 52.55 55.63 1jdu s ASP 164 Cb -0.15 1.35 1.73 0.00 -1.45 0.00 0.00 42.92 44.40 1jdu s ASP 164 CO 0.09 -0.29 2.12 1.05 0.13 0.00 0.00 175.17 178.27 1jdu h GLU 165 N 8.14 0.00 -0.22 4.34 4.11 -2.06 -2.89 114.58 126.01 1jdu h GLU 165 Ca -0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.23 1jdu h GLU 165 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1jdu h GLU 165 CO 0.27 0.02 0.00 0.39 0.07 0.00 0.00 179.01 179.76 1jdu n GLU 166 N -3.14 2.65 -0.15 1.06 1.02 -1.26 -4.85 120.64 115.97 1jdu n GLU 166 Ca -0.01 -2.55 -0.04 0.00 -0.02 0.00 0.00 57.16 54.54 1jdu n GLU 166 Cb 0.22 -1.62 -0.03 0.00 -0.02 0.00 0.00 31.44 29.99 1jdu n GLU 166 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1jdu n PHE 167 N -0.45 -0.15 -0.06 -0.32 7.35 -1.09 -0.22 117.46 122.51 1jdu n PHE 167 Ca 0.17 0.44 -0.08 0.00 -0.76 0.00 0.00 57.45 57.22 1jdu n PHE 167 Cb 0.71 -0.53 -0.01 0.00 0.35 0.00 0.00 39.48 40.00 1jdu n PHE 167 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1jdu h VAL 168 N 0.00 0.79 -0.15 -2.13 2.07 -1.88 -1.45 116.25 113.50 1jdu h VAL 168 Ca 0.06 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 1jdu h VAL 168 Cb 0.14 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1jdu h VAL 168 CO -0.33 0.01 0.04 0.11 0.02 0.00 0.00 177.57 177.42 1jdu h LYS 169 N 0.04 0.24 0.12 1.57 1.57 -1.85 -0.84 116.57 117.42 1jdu h LYS 169 Ca 0.12 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1jdu h LYS 169 Cb 0.17 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 1jdu h LYS 169 CO -0.23 0.39 -0.37 -0.22 -0.57 0.00 0.00 179.45 178.45 1jdu h LYS 170 N 0.05 -0.53 -0.00 3.15 3.64 -0.37 -0.44 116.57 122.06 1jdu h LYS 170 Ca 0.05 0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.36 1jdu h LYS 170 Cb 0.26 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1jdu h LYS 170 CO 0.00 -0.36 -0.50 -1.49 -2.27 0.00 0.00 179.45 174.83 1jdu h TRP 171 N -0.55 0.02 -0.14 1.91 4.06 -1.33 -2.79 115.95 117.12 1jdu h TRP 171 Ca -0.01 -0.00 -0.21 0.00 2.06 0.00 0.00 58.89 60.73 1jdu h TRP 171 Cb 0.55 -0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.71 1jdu h TRP 171 CO -0.38 0.51 -0.74 0.66 -3.56 0.00 0.00 178.44 174.93 1jdu h SER 172 N 0.01 0.80 0.25 -3.49 4.64 -1.07 -2.23 113.55 112.46 1jdu h SER 172 Ca -0.00 -0.51 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 1jdu h SER 172 Cb 0.89 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1jdu h SER 172 CO 0.07 1.29 0.00 -1.54 -0.87 0.00 0.00 176.83 175.78 1jdu n SER 173 N -3.91 0.00 -1.64 4.97 3.41 -0.18 -2.49 113.62 113.77 1jdu n SER 173 Ca -0.06 -0.42 0.08 0.00 -0.26 0.00 0.00 58.87 58.21 1jdu n SER 173 Cb 0.72 -0.15 0.37 0.00 -0.26 0.00 0.00 64.21 64.89 1jdu n SER 173 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1jdu n ARG 174 N -1.15 4.30 -0.71 4.33 1.74 -1.06 -4.92 116.66 119.19 1jdu n ARG 174 Ca 0.15 -3.04 0.00 0.00 -0.77 0.00 0.00 57.85 54.19 1jdu n ARG 174 Cb 0.15 -2.10 0.00 0.00 -1.02 0.00 0.00 32.46 29.48 1jdu n ARG 174 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jdu n GLY 175 N 0.53 0.66 3.71 -0.13 0.00 -1.04 -5.05 105.19 103.88 1jdu n GLY 175 Ca 0.26 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.93 1jdu n GLY 175 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jdu s ASN 176 N -2.08 5.89 0.00 1.61 0.01 -0.86 -4.02 114.94 115.48 1jdu s ASN 176 Ca 0.00 0.21 0.20 0.00 -0.71 0.00 0.00 52.86 52.55 1jdu s ASN 176 Cb 0.00 -1.96 0.02 0.00 0.41 0.00 0.00 41.25 39.72 1jdu s ASN 176 CO 0.00 0.25 1.01 2.30 -1.51 0.00 0.00 177.10 179.15 1jdu n ILE 177 N 3.05 0.00 -3.77 0.60 -5.35 -0.19 -3.90 119.36 109.80 1jdu n ILE 177 Ca -0.17 -0.33 -0.07 0.00 -0.27 0.00 0.00 62.75 61.91 1jdu n ILE 177 Cb 0.53 1.27 -0.02 0.00 -1.74 0.00 0.00 39.64 39.68 1jdu n ILE 177 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jdu s ALA 178 N -2.12 -1.40 -0.06 -1.28 0.00 -1.25 -0.42 121.76 115.23 1jdu s ALA 178 Ca 0.18 -0.05 0.02 0.00 0.00 0.00 0.00 51.96 52.10 1jdu s ALA 178 Cb 0.16 0.78 0.02 0.00 0.00 0.00 0.00 23.12 24.08 1jdu s ALA 178 CO 0.45 -0.99 -0.08 0.54 0.00 0.00 0.00 175.76 175.67 1jdu s VAL 179 N -3.70 0.84 0.00 0.00 0.11 0.32 -1.48 120.40 116.49 1jdu s VAL 179 Ca 0.10 -0.29 0.00 0.00 -2.93 0.00 0.00 61.98 58.86 1jdu s VAL 179 Cb -0.04 -0.81 0.00 0.00 -1.53 0.00 0.00 36.38 34.00 1jdu s VAL 179 CO 0.03 0.29 0.00 -1.84 -3.33 0.00 0.00 175.10 170.25 1jdu n GLU 180 N 3.99 0.00 0.00 1.54 -0.00 -0.82 -2.78 120.64 122.57 1jdu n GLU 180 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.93 1jdu n GLU 180 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.95 1jdu n GLU 180 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1jdu n MET 181 N 0.00 1.78 -0.00 3.44 2.81 -1.26 -0.38 117.12 123.51 1jdu n MET 181 Ca 0.00 -0.06 0.02 0.00 -1.81 0.00 0.00 57.70 55.86 1jdu n MET 181 Cb 0.00 -0.34 -0.03 0.00 -0.71 0.00 0.00 33.22 32.14 1jdu n MET 181 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1jdu n GLU 182 N -0.27 0.53 -0.24 0.03 4.71 -1.26 -3.80 120.64 120.33 1jdu n GLU 182 Ca 0.00 -0.04 0.03 0.00 -0.01 0.00 0.00 57.16 57.14 1jdu n GLU 182 Cb 0.05 -1.07 0.16 0.00 -1.01 0.00 0.00 31.44 29.56 1jdu n GLU 182 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1jdu h ALA 184 N 1.49 0.28 -0.39 0.00 0.00 -1.88 0.92 119.26 119.68 1jdu h ALA 184 Ca 0.38 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 1jdu h ALA 184 Cb 0.50 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1jdu h ALA 184 CO -0.34 -0.30 0.18 1.15 0.00 0.00 0.00 179.25 179.93 1jdu h THR 185 N 0.23 1.18 0.44 0.00 2.02 -1.78 -1.82 112.91 113.19 1jdu h THR 185 Ca 0.10 -0.53 -0.01 0.00 0.77 0.00 0.00 66.41 66.74 1jdu h THR 185 Cb 0.04 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1jdu h THR 185 CO -0.08 0.19 -0.28 0.25 0.37 0.00 0.00 175.52 175.97 1jdu h LEU 186 N 0.48 -0.71 0.56 2.58 5.85 -0.78 -0.77 115.31 122.53 1jdu h LEU 186 Ca 0.13 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 1jdu h LEU 186 Cb 0.14 0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 1jdu h LEU 186 CO -0.01 -0.44 -0.33 -0.26 -0.34 0.00 0.00 178.44 177.05 1jdu h PHE 187 N -0.69 -0.88 -0.28 1.25 0.05 -0.80 0.28 116.94 115.87 1jdu h PHE 187 Ca -0.05 -0.01 0.02 0.00 3.82 0.00 0.00 57.97 61.75 1jdu h PHE 187 Cb 0.57 0.31 -0.02 0.00 2.00 0.00 0.00 35.95 38.81 1jdu h PHE 187 CO -0.10 -0.51 0.15 1.15 -0.18 0.00 0.00 178.31 178.82 1jdu h THR 188 N -0.84 1.01 -0.71 -1.55 2.02 -1.39 -0.29 112.91 111.16 1jdu h THR 188 Ca -0.07 -0.11 -0.04 0.00 0.77 0.00 0.00 66.41 66.97 1jdu h THR 188 Cb 0.68 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 1jdu h THR 188 CO 0.08 0.06 0.29 0.25 0.37 0.00 0.00 175.52 176.57 1jdu h LEU 189 N 0.32 0.95 -0.08 2.58 5.85 -1.11 -2.06 115.31 121.77 1jdu h LEU 189 Ca 0.11 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1jdu h LEU 189 Cb 0.02 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.80 1jdu h LEU 189 CO -0.07 0.84 0.03 0.28 -0.34 0.00 0.00 178.44 179.18 1jdu h SER 190 N 1.02 0.10 -0.04 1.25 0.02 -0.49 -0.69 113.55 114.72 1jdu h SER 190 Ca 0.24 -0.16 0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1jdu h SER 190 Cb 0.18 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 1jdu h SER 190 CO -0.02 0.24 0.03 0.50 -1.14 0.00 0.00 176.83 176.44 1jdu h LYS 191 N -0.04 0.00 0.16 3.45 1.63 -0.76 0.17 116.57 121.19 1jdu h LYS 191 Ca 0.03 0.00 -0.31 0.00 -0.85 0.00 0.00 60.65 59.51 1jdu h LYS 191 Cb 0.17 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.80 1jdu h LYS 191 CO -0.00 0.00 -1.56 0.28 -3.45 0.00 0.00 179.45 174.72 1jdu h VAL 192 N 0.00 1.02 -0.00 2.00 2.07 -1.06 -3.35 116.25 116.93 1jdu h VAL 192 Ca 0.02 -2.48 0.00 0.00 0.82 0.00 0.00 66.70 65.06 1jdu h VAL 192 Cb 0.09 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 1jdu h VAL 192 CO -0.00 0.79 -0.12 0.29 0.02 0.00 0.00 177.57 178.55 1jdu n LYS 193 N -3.75 0.06 -0.96 1.57 4.76 -0.29 -4.94 118.16 114.60 1jdu n LYS 193 Ca -0.24 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.19 1jdu n LYS 193 Cb 1.00 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.69 1jdu n LYS 193 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jdu n GLY 194 N 1.48 0.57 3.90 0.72 0.00 0.48 -5.06 105.19 107.27 1jdu n GLY 194 Ca 0.07 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 1jdu n GLY 194 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jdu s TRP 195 N -2.00 3.47 -0.34 1.61 0.51 -0.47 -5.02 118.94 116.71 1jdu s TRP 195 Ca 0.00 0.63 -0.14 0.00 -2.12 0.00 0.00 56.10 54.47 1jdu s TRP 195 Cb 0.00 -2.10 -0.02 0.00 -0.81 0.00 0.00 33.47 30.55 1jdu s TRP 195 CO 0.00 0.19 0.31 0.15 -0.51 0.00 0.00 176.95 177.09 1jdu s LYS 196 N -3.49 3.57 0.13 4.98 1.02 -0.46 -4.44 119.74 121.06 1jdu s LYS 196 Ca 0.44 -0.48 0.06 0.00 0.02 0.00 0.00 55.97 56.00 1jdu s LYS 196 Cb -0.11 -3.79 -0.04 0.00 -0.52 0.00 0.00 37.83 33.37 1jdu s LYS 196 CO 0.29 -0.47 -0.13 -1.12 -0.92 0.00 0.00 175.35 173.00 1jdu s SER 197 N 1.73 1.98 0.30 2.83 0.01 -1.26 -0.52 113.70 118.77 1jdu s SER 197 Ca 0.09 -0.85 -0.13 0.00 1.31 0.00 0.00 55.95 56.38 1jdu s SER 197 Cb -0.17 -0.06 0.01 0.00 0.21 0.00 0.00 66.02 66.01 1jdu s SER 197 CO 0.11 -0.18 0.58 0.00 0.41 0.00 0.00 173.24 174.16 1jdu s ALA 198 N -2.36 -0.29 -0.12 1.44 0.00 -0.55 0.82 121.76 120.70 1jdu s ALA 198 Ca 0.11 -0.89 -0.19 0.00 0.00 0.00 0.00 51.96 50.99 1jdu s ALA 198 Cb -0.04 0.98 0.04 0.00 0.00 0.00 0.00 23.12 24.11 1jdu s ALA 198 CO 0.03 -0.90 0.47 0.99 0.00 0.00 0.00 175.76 176.35 1jdu s THR 199 N -3.49 0.01 -0.03 0.00 2.01 -1.26 -1.69 115.64 111.20 1jdu s THR 199 Ca 0.21 -0.12 0.02 0.00 0.31 0.00 0.00 61.69 62.11 1jdu s THR 199 Cb -0.02 -0.71 0.01 0.00 0.01 0.00 0.00 72.50 71.78 1jdu s THR 199 CO 0.11 -0.07 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.22 1jdu s VAL 200 N -0.38 0.64 0.09 3.82 1.01 -0.64 -1.85 120.40 123.09 1jdu s VAL 200 Ca -0.05 -0.26 0.09 0.00 0.00 0.00 0.00 61.98 61.75 1jdu s VAL 200 Cb -0.03 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.73 1jdu s VAL 200 CO 0.03 0.21 -0.22 -0.76 0.00 0.00 0.00 175.10 174.36 1jdu s LEU 201 N 0.33 2.26 -0.26 3.92 1.43 0.22 -2.63 118.68 123.96 1jdu s LEU 201 Ca -0.05 -0.65 -0.10 0.00 -1.03 0.00 0.00 54.13 52.30 1jdu s LEU 201 Cb -0.09 -0.99 -0.05 0.00 0.03 0.00 0.00 46.19 45.09 1jdu s LEU 201 CO 0.00 0.12 0.15 -0.69 0.23 0.00 0.00 176.35 176.17 1jdu s VAL 202 N -1.03 5.14 -0.45 -1.59 1.01 0.13 -0.44 120.40 123.17 1jdu s VAL 202 Ca 0.08 0.11 -0.28 0.00 0.00 0.00 0.00 61.98 61.89 1jdu s VAL 202 Cb -0.10 -3.42 0.01 0.00 0.00 0.00 0.00 36.38 32.87 1jdu s VAL 202 CO 0.04 0.30 1.44 -0.69 0.00 0.00 0.00 175.10 176.19 1jdu s VAL 203 N 1.44 3.84 -2.39 2.92 1.01 -0.74 -0.83 120.40 125.65 1jdu s VAL 203 Ca 0.07 0.82 0.21 0.00 0.00 0.00 0.00 61.98 63.08 1jdu s VAL 203 Cb -0.15 -4.23 0.11 0.00 0.00 0.00 0.00 36.38 32.11 1jdu s VAL 203 CO 0.07 -0.85 1.12 -1.54 0.00 0.00 0.00 175.10 173.90 1jdu n SER 204 N 9.17 2.49 -3.53 3.32 3.41 -0.34 -0.94 113.62 127.21 1jdu n SER 204 Ca 0.16 -1.74 -0.11 0.00 -0.26 0.00 0.00 58.87 56.91 1jdu n SER 204 Cb 0.48 0.14 -0.04 0.00 -0.26 0.00 0.00 64.21 64.54 1jdu n SER 204 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jdu s ASP 205 N -1.91 -0.43 -0.27 4.04 3.68 -1.19 -5.00 116.67 115.60 1jdu s ASP 205 Ca 0.22 0.28 0.00 0.00 2.13 0.00 0.00 52.55 55.18 1jdu s ASP 205 Cb 0.17 0.39 0.08 0.00 -1.45 0.00 0.00 42.92 42.11 1jdu s ASP 205 CO 0.34 -0.53 0.02 0.21 0.13 0.00 0.00 175.17 175.34 1jdu s ASN 206 N -1.75 3.88 0.00 -0.34 3.84 -1.26 0.18 114.94 119.49 1jdu s ASN 206 Ca -0.01 -1.40 0.17 0.00 0.21 0.00 0.00 52.86 51.83 1jdu s ASN 206 Cb -0.01 -1.05 0.78 0.00 -0.55 0.00 0.00 41.25 40.43 1jdu s ASN 206 CO -0.02 -0.32 1.52 0.18 -2.79 0.00 0.00 177.10 175.67 1jdu n LEU 207 N 4.73 0.00 -0.70 3.21 4.77 -0.24 -2.76 117.00 126.01 1jdu n LEU 207 Ca -0.06 0.41 0.06 0.00 -0.03 0.00 0.00 56.01 56.39 1jdu n LEU 207 Cb 0.44 -0.41 0.18 0.00 -2.33 0.00 0.00 43.42 41.30 1jdu n LEU 207 CO 0.16 -0.18 0.65 0.00 -1.33 0.00 0.00 177.39 176.69 1jdu n ALA 208 N -1.41 2.44 -2.00 -1.18 0.00 -1.25 -4.97 120.51 112.14 1jdu n ALA 208 Ca 0.06 -1.54 0.00 0.00 0.00 0.00 0.00 53.44 51.96 1jdu n ALA 208 Cb 0.17 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.11 1jdu n ALA 208 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1jdu n LYS 209 N 0.13 0.00 -1.35 0.00 4.81 -1.11 -4.52 118.16 116.12 1jdu n LYS 209 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 1jdu n LYS 209 Cb 0.58 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.63 1jdu n LYS 209 CO 0.00 0.00 0.00 1.87 1.17 0.00 0.00 177.40 180.44 1jdu n TRP 213 N 0.00 -0.33 -4.07 5.64 -0.00 -1.26 -4.69 117.44 112.72 1jdu n TRP 213 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.41 1jdu n TRP 213 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 31.31 31.21 1jdu n TRP 213 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 177.69 178.65 1jdu s ILE 214 N -2.30 0.35 0.51 5.87 -5.25 -1.26 -4.97 121.20 114.16 1jdu s ILE 214 Ca 0.00 -1.48 -0.03 0.00 -0.99 0.00 0.00 60.65 58.14 1jdu s ILE 214 Cb 0.00 -1.08 -0.01 0.00 2.95 0.00 0.00 42.46 44.32 1jdu s ILE 214 CO 0.00 -0.74 0.78 -0.89 -1.79 0.00 0.00 174.94 172.30 1jdu s THR 215 N -2.80 4.08 0.33 8.37 2.01 -1.26 -4.97 115.64 121.40 1jdu s THR 215 Ca -0.01 -0.15 0.08 0.00 0.31 0.00 0.00 61.69 61.92 1jdu s THR 215 Cb -0.00 -3.56 0.09 0.00 0.01 0.00 0.00 72.50 69.04 1jdu s THR 215 CO -0.05 -0.50 1.79 0.11 -0.69 0.00 0.00 174.62 175.28 1jdu h LYS 216 N 0.14 0.25 0.21 4.92 1.57 -2.01 -2.25 116.57 119.39 1jdu h LYS 216 Ca -0.46 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.22 1jdu h LYS 216 Cb 1.24 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1jdu h LYS 216 CO 0.60 0.52 -0.10 0.93 -0.57 0.00 0.00 179.45 180.83 1jdu h GLU 217 N 0.22 -0.27 -0.95 3.15 3.07 -1.99 -1.55 114.58 116.26 1jdu h GLU 217 Ca 0.03 0.02 0.08 0.00 -0.50 0.00 0.00 59.36 58.99 1jdu h GLU 217 Cb 0.63 0.06 -0.07 0.00 -0.84 0.00 0.00 28.75 28.53 1jdu h GLU 217 CO 0.05 0.04 0.61 0.93 -1.40 0.00 0.00 179.01 179.24 1jdu h GLU 218 N -0.59 1.01 -0.09 2.33 5.08 -1.94 -0.47 114.58 119.91 1jdu h GLU 218 Ca -0.03 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1jdu h GLU 218 Cb 0.43 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1jdu h GLU 218 CO 0.05 0.67 -0.03 1.25 -1.00 0.00 0.00 179.01 179.95 1jdu h LEU 219 N 1.04 0.18 -1.52 1.33 6.46 -1.34 0.41 115.31 121.86 1jdu h LEU 219 Ca 0.42 -0.39 -0.04 0.00 -0.12 0.00 0.00 57.88 57.75 1jdu h LEU 219 Cb 0.27 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 1jdu h LEU 219 CO -0.18 0.53 -0.13 -0.33 -0.62 0.00 0.00 178.44 177.71 1jdu h GLU 220 N -0.18 0.15 -0.27 1.25 5.08 -0.99 0.60 114.58 120.22 1jdu h GLU 220 Ca 0.02 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 1jdu h GLU 220 Cb 0.46 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1jdu h GLU 220 CO 0.01 0.28 -0.43 -0.22 -1.00 0.00 0.00 179.01 177.66 1jdu h LYS 221 N 0.14 0.66 -0.35 2.33 3.11 -0.92 0.18 116.57 121.72 1jdu h LYS 221 Ca 0.03 -0.35 -0.14 0.00 -2.81 0.00 0.00 60.65 57.37 1jdu h LYS 221 Cb 0.32 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.56 1jdu h LYS 221 CO 0.02 0.96 -0.35 1.03 -2.81 0.00 0.00 179.45 178.30 1jdu h SER 222 N 0.54 0.91 -0.60 4.20 0.87 0.87 -0.94 113.55 119.40 1jdu h SER 222 Ca 0.04 -0.47 -0.09 0.00 -1.23 0.00 0.00 61.79 60.04 1jdu h SER 222 Cb 0.96 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.64 1jdu h SER 222 CO 0.09 1.19 0.04 0.58 -0.53 0.00 0.00 176.83 178.20 1jdu h VAL 223 N 0.64 1.26 0.10 2.23 2.07 0.35 -2.28 116.25 120.62 1jdu h VAL 223 Ca 0.06 -1.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.47 1jdu h VAL 223 Cb 0.93 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1jdu h VAL 223 CO 0.09 0.40 -0.05 0.24 0.02 0.00 0.00 177.57 178.27 1jdu h MET 224 N 0.97 -0.12 -0.44 1.57 2.07 -0.49 -1.97 114.93 116.52 1jdu h MET 224 Ca 0.18 0.01 0.06 0.00 -2.07 0.00 0.00 59.70 57.88 1jdu h MET 224 Cb 0.51 0.03 -0.05 0.00 -1.87 0.00 0.00 31.60 30.21 1jdu h MET 224 CO 0.02 0.14 0.16 -0.44 1.07 0.00 0.00 176.91 177.86 1jdu h ASP 225 N -0.38 0.17 -0.49 1.22 3.32 -1.13 -1.77 116.42 117.35 1jdu h ASP 225 Ca -0.01 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 1jdu h ASP 225 Cb 0.32 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 1jdu h ASP 225 CO 0.02 0.13 0.26 1.23 -1.72 0.00 0.00 179.24 179.16 1jdu h GLY 226 N 0.33 0.77 1.05 2.75 0.00 -1.40 -2.69 103.07 103.88 1jdu h GLY 226 Ca 0.21 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 1jdu h GLY 226 CO -0.21 0.33 0.27 0.00 0.00 0.00 0.00 176.54 176.93 1jdu h ALA 227 N 1.56 1.00 -0.31 3.60 0.00 -0.53 -0.74 119.26 123.84 1jdu h ALA 227 Ca 0.18 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1jdu h ALA 227 Cb 0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1jdu h ALA 227 CO -0.03 0.66 -0.08 0.87 0.00 0.00 0.00 179.25 180.67 1jdu h LYS 228 N 1.13 0.50 -0.30 0.00 1.57 -1.13 0.20 116.57 118.54 1jdu h LYS 228 Ca 0.25 -0.13 -0.18 0.00 -1.87 0.00 0.00 60.65 58.72 1jdu h LYS 228 Cb 0.27 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 1jdu h LYS 228 CO -0.01 0.59 -0.51 0.00 -0.57 0.00 0.00 179.45 178.95 1jdu h ALA 229 N 1.45 0.53 -0.15 3.86 0.00 -1.21 -0.57 119.26 123.17 1jdu h ALA 229 Ca 0.09 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 1jdu h ALA 229 Cb 0.43 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1jdu h ALA 229 CO 0.02 0.68 -0.07 0.28 0.00 0.00 0.00 179.25 180.16 1jdu h VAL 230 N 0.66 1.31 -0.16 0.00 2.07 -0.74 -2.01 116.25 117.39 1jdu h VAL 230 Ca 0.03 -1.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.41 1jdu h VAL 230 Cb 1.10 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 1jdu h VAL 230 CO 0.11 0.33 0.01 -0.07 0.02 0.00 0.00 177.57 177.97 1jdu h LEU 231 N -0.02 0.20 -0.14 2.57 3.38 -0.59 -1.40 115.31 119.31 1jdu h LEU 231 Ca 0.03 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1jdu h LEU 231 Cb 0.54 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1jdu h LEU 231 CO 0.02 0.24 0.01 0.44 0.09 0.00 0.00 178.44 179.23 1jdu h ASP 232 N 0.22 0.24 -0.74 -0.43 3.32 -0.89 -2.96 116.42 115.19 1jdu h ASP 232 Ca 0.05 -0.30 0.01 0.00 0.02 0.00 0.00 57.03 56.82 1jdu h ASP 232 Cb 0.14 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 1jdu h ASP 232 CO 0.00 0.48 0.48 0.74 -1.72 0.00 0.00 179.24 179.22 1jdu h THR 233 N -0.00 1.17 0.00 0.35 2.02 -0.70 -0.41 112.91 115.33 1jdu h THR 233 Ca 0.04 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 1jdu h THR 233 Cb 0.35 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.87 1jdu h THR 233 CO 0.01 0.18 -0.07 -0.07 0.37 0.00 0.00 175.52 175.93 1jdu h LEU 234 N 0.97 0.00 -2.92 2.58 3.38 -1.23 -2.52 115.31 115.58 1jdu h LEU 234 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1jdu h LEU 234 Cb -0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1jdu h LEU 234 CO -0.07 0.07 0.00 0.35 0.09 0.00 0.00 178.44 178.88 1jdu n THR 235 N -3.58 1.06 1.80 0.22 -2.24 -0.82 -4.96 114.28 105.76 1jdu n THR 235 Ca -0.02 -1.05 0.14 0.00 -2.27 0.00 0.00 64.05 60.86 1jdu n THR 235 Cb 0.19 0.46 0.85 0.00 -2.10 0.00 0.00 70.33 69.73 1jdu n THR 235 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96