#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 -0.04 -1.45 0.24 -1.26 -4.67 118.33 111.15 1jdu n VAL 4 Ca 0.00 -0.37 -0.09 0.00 -2.04 0.00 0.00 64.34 61.84 1jdu n VAL 4 Cb 0.00 1.33 -0.03 0.00 -1.47 0.00 0.00 33.84 33.67 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 0.48 0.00 -3.05 6.34 8.25 -1.26 -4.88 115.22 121.10 1jdu n HIS 5 Ca 0.10 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.12 1jdu n HIS 5 Cb 0.48 -0.31 -0.04 0.00 1.12 0.00 0.00 29.99 31.24 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 -2.22 4.78 -0.35 1.59 -1.09 -1.26 -4.58 121.20 118.07 1jdu s ILE 6 Ca -0.13 -1.10 0.01 0.00 -2.23 0.00 0.00 60.65 57.20 1jdu s ILE 6 Cb 0.04 -4.57 0.11 0.00 -1.58 0.00 0.00 42.46 36.46 1jdu s ILE 6 CO 0.17 -1.24 0.99 0.18 -1.23 0.00 0.00 174.94 173.80 1jdu n LEU 7 N 6.42 2.94 -4.78 2.97 4.77 -1.26 -4.85 117.00 123.21 1jdu n LEU 7 Ca -0.01 -1.50 -0.34 0.00 -0.03 0.00 0.00 56.01 54.13 1jdu n LEU 7 Cb 0.44 -0.54 0.01 0.00 -2.33 0.00 0.00 43.42 41.00 1jdu n LEU 7 CO 0.56 0.49 0.77 0.00 -1.33 0.00 0.00 177.39 177.88 1jdu s ALA 8 N -0.77 2.67 0.51 -1.18 0.00 -1.25 -4.94 121.76 116.80 1jdu s ALA 8 Ca 0.09 0.74 -0.19 0.00 0.00 0.00 0.00 51.96 52.59 1jdu s ALA 8 Cb 0.07 -3.34 -0.08 0.00 0.00 0.00 0.00 23.12 19.78 1jdu s ALA 8 CO 0.02 -0.83 1.04 0.15 0.00 0.00 0.00 175.76 176.14 1jdu s LYS 9 N -3.47 3.71 0.13 0.00 -0.14 -1.26 -4.94 119.74 113.77 1jdu s LYS 9 Ca 0.71 1.33 -0.31 0.00 -1.36 0.00 0.00 55.97 56.33 1jdu s LYS 9 Cb -0.22 -2.08 -0.09 0.00 -1.68 0.00 0.00 37.83 33.76 1jdu s LYS 9 CO 0.30 -0.50 1.49 0.21 -0.76 0.00 0.00 175.35 176.08 1jdu s LYS 10 N -3.41 4.26 0.00 1.68 2.20 -1.26 -0.60 119.74 122.61 1jdu s LYS 10 Ca 0.66 2.22 0.00 0.00 -0.36 0.00 0.00 55.97 58.50 1jdu s LYS 10 Cb -0.16 -3.24 0.00 0.00 -1.51 0.00 0.00 37.83 32.92 1jdu s LYS 10 CO 0.23 -0.54 0.00 0.41 -0.36 0.00 0.00 175.35 175.09 1jdu n GLY 11 N 3.65 0.78 1.07 5.54 0.00 -1.25 -4.87 105.19 110.12 1jdu n GLY 11 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.27 1jdu n GLY 11 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1jdu n GLU 12 N -2.00 2.41 -4.40 1.61 2.13 0.23 -4.82 120.64 115.81 1jdu n GLU 12 Ca 0.00 -2.12 -0.29 0.00 0.66 0.00 0.00 57.16 55.41 1jdu n GLU 12 Cb 0.00 -1.50 -0.17 0.00 0.27 0.00 0.00 31.44 30.05 1jdu n GLU 12 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1jdu s VAL 13 N -1.63 1.60 0.96 6.31 1.01 -1.26 -4.80 120.40 122.59 1jdu s VAL 13 Ca 0.36 -0.69 -0.11 0.00 0.00 0.00 0.00 61.98 61.54 1jdu s VAL 13 Cb 0.22 -1.46 0.17 0.00 0.00 0.00 0.00 36.38 35.31 1jdu s VAL 13 CO 0.31 0.46 1.10 0.00 0.00 0.00 0.00 175.10 176.97 1jdu s ALA 14 N 1.06 1.09 0.10 5.51 0.00 -1.26 -4.72 121.76 123.55 1jdu s ALA 14 Ca -0.04 0.26 0.13 0.00 0.00 0.00 0.00 51.96 52.30 1jdu s ALA 14 Cb -0.15 -3.33 0.20 0.00 0.00 0.00 0.00 23.12 19.84 1jdu s ALA 14 CO -0.04 -2.84 1.50 1.49 0.00 0.00 0.00 175.76 175.88 1jdu h GLU 15 N -1.92 0.00 -5.21 0.00 4.81 -1.82 -3.37 114.58 107.08 1jdu h GLU 15 Ca -0.49 0.00 -0.62 0.00 -0.13 0.00 0.00 59.36 58.12 1jdu h GLU 15 Cb 1.28 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 30.48 1jdu h GLU 15 CO 0.47 0.65 -0.58 1.03 -0.73 0.00 0.00 179.01 179.84 1jdu s ARG 16 N -3.19 3.88 -0.00 1.92 0.52 -1.26 -1.95 118.95 118.87 1jdu s ARG 16 Ca 0.01 -0.39 0.03 0.00 -0.52 0.00 0.00 55.73 54.86 1jdu s ARG 16 Cb 0.10 -3.22 -0.01 0.00 0.52 0.00 0.00 34.95 32.35 1jdu s ARG 16 CO 0.76 0.17 -0.10 0.08 0.02 0.00 0.00 175.30 176.23 1jdu s VAL 17 N 0.64 0.77 -0.29 3.52 1.01 -0.07 -2.15 120.40 123.82 1jdu s VAL 17 Ca 0.03 -0.46 -0.07 0.00 0.00 0.00 0.00 61.98 61.47 1jdu s VAL 17 Cb -0.13 -0.65 0.01 0.00 0.00 0.00 0.00 36.38 35.60 1jdu s VAL 17 CO 0.02 0.18 0.09 -0.22 0.00 0.00 0.00 175.10 175.17 1jdu s LEU 18 N -0.32 3.85 -0.12 3.92 0.20 -0.42 -1.56 118.68 124.23 1jdu s LEU 18 Ca 0.03 -0.67 -0.03 0.00 0.69 0.00 0.00 54.13 54.15 1jdu s LEU 18 Cb -0.04 -1.89 -0.03 0.00 -0.43 0.00 0.00 46.19 43.79 1jdu s LEU 18 CO -0.00 -0.18 0.00 0.68 -0.29 0.00 0.00 176.35 176.56 1jdu s VAL 19 N 1.52 4.29 0.07 1.68 -7.23 -0.13 -1.50 120.40 119.10 1jdu s VAL 19 Ca 0.03 -0.24 0.04 0.00 -1.81 0.00 0.00 61.98 60.00 1jdu s VAL 19 Cb -0.17 -2.84 -0.03 0.00 0.56 0.00 0.00 36.38 33.90 1jdu s VAL 19 CO 0.03 0.55 -0.11 0.68 -0.31 0.00 0.00 175.10 175.94 1jdu s VAL 20 N -0.35 0.93 0.22 1.32 -7.23 -0.20 -0.56 120.40 114.52 1jdu s VAL 20 Ca 0.07 -1.36 0.05 0.00 -1.81 0.00 0.00 61.98 58.93 1jdu s VAL 20 Cb -0.12 -1.06 -0.07 0.00 0.56 0.00 0.00 36.38 35.69 1jdu s VAL 20 CO 0.02 -0.37 1.52 1.23 -0.31 0.00 0.00 175.10 177.19 1jdu h GLY 21 N 4.10 0.19 -6.29 2.32 0.00 -1.79 -1.39 103.07 100.21 1jdu h GLY 21 Ca -0.39 -0.26 -0.61 0.00 0.00 0.00 0.00 47.33 46.08 1jdu h GLY 21 CO 0.44 0.23 -0.52 -0.35 0.00 0.00 0.00 176.54 176.35 1jdu s ASP 22 N -6.89 5.98 0.48 0.19 2.15 -1.26 -2.05 116.67 115.28 1jdu s ASP 22 Ca -0.03 0.16 0.16 0.00 0.43 0.00 0.00 52.55 53.28 1jdu s ASP 22 Cb 0.12 -2.04 1.16 0.00 -0.30 0.00 0.00 42.92 41.85 1jdu s ASP 22 CO 0.80 0.17 2.04 -0.65 -0.17 0.00 0.00 175.17 177.36 1jdu h PRO 23 N 6.77 0.21 -0.35 4.34 0.11 -1.87 -2.10 132.00 139.10 1jdu h PRO 23 Ca -0.39 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.66 1jdu h PRO 23 Cb 1.16 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1jdu h PRO 23 CO 0.73 0.14 0.03 0.78 -0.21 0.00 0.00 178.00 179.47 1jdu h GLY 24 N 0.21 0.65 1.30 -0.55 0.00 -1.96 -2.68 103.07 100.04 1jdu h GLY 24 Ca 0.18 -0.45 -0.10 0.00 0.00 0.00 0.00 47.33 46.96 1jdu h GLY 24 CO -0.03 0.42 -0.10 -0.09 0.00 0.00 0.00 176.54 176.74 1jdu h ARG 25 N 0.43 0.83 -0.66 4.80 2.43 -1.82 -0.90 114.38 119.50 1jdu h ARG 25 Ca 0.10 -0.28 -0.02 0.00 -0.81 0.00 0.00 59.98 58.98 1jdu h ARG 25 Cb 0.40 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 1jdu h ARG 25 CO 0.01 0.90 0.34 0.00 -1.51 0.00 0.00 179.97 179.71 1jdu h ALA 26 N 1.13 1.36 -0.15 2.80 0.00 -1.40 0.24 119.26 123.24 1jdu h ALA 26 Ca 0.13 -0.12 -0.22 0.00 0.00 0.00 0.00 54.91 54.70 1jdu h ALA 26 Cb 0.60 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.13 1jdu h ALA 26 CO 0.04 0.51 -0.77 -0.09 0.00 0.00 0.00 179.25 178.94 1jdu h ARG 27 N 0.92 0.75 -0.30 0.00 2.43 -1.21 -2.70 114.38 114.26 1jdu h ARG 27 Ca 0.23 -0.61 -0.10 0.00 -0.81 0.00 0.00 59.98 58.68 1jdu h ARG 27 Cb 0.06 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1jdu h ARG 27 CO -0.03 1.22 -0.25 1.25 -1.51 0.00 0.00 179.97 180.65 1jdu h LEU 28 N 0.51 0.60 0.00 3.80 5.85 -0.59 -2.97 115.31 122.52 1jdu h LEU 28 Ca -0.05 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1jdu h LEU 28 Cb 1.39 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1jdu h LEU 28 CO 0.16 0.84 -0.18 0.18 -0.34 0.00 0.00 178.44 179.09 1jdu n LEU 29 N -4.11 0.28 0.24 2.25 4.77 0.79 -3.24 117.00 117.99 1jdu n LEU 29 Ca -0.00 0.35 0.13 0.00 -0.03 0.00 0.00 56.01 56.46 1jdu n LEU 29 Cb 0.42 -0.39 0.53 0.00 -2.33 0.00 0.00 43.42 41.65 1jdu n LEU 29 CO 0.43 0.01 0.88 0.77 -1.33 0.00 0.00 177.39 178.15 1jdu h SER 30 N 0.00 0.00 0.13 -1.43 4.64 -1.30 -2.27 113.55 113.32 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 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1jdu h SER 30 CO 0.00 0.12 0.00 0.00 -0.87 0.00 0.00 176.83 176.08 1jdu h THR 31 N 0.00 0.00 -0.01 2.95 1.03 -1.65 0.18 112.91 115.41 1jdu h THR 31 Ca -0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 66.41 66.35 1jdu h THR 31 Cb 0.67 0.75 0.00 0.00 -1.07 0.00 0.00 68.15 68.50 1jdu h THR 31 CO 0.02 0.00 -0.30 0.18 -0.01 0.00 0.00 175.52 175.41 1jdu n LEU 32 N -2.56 0.86 -4.95 0.00 4.77 -0.85 -4.91 117.00 109.35 1jdu n LEU 32 Ca -0.01 -0.18 -0.23 0.00 -0.03 0.00 0.00 56.01 55.56 1jdu n LEU 32 Cb 0.08 -0.16 0.01 0.00 -2.33 0.00 0.00 43.42 41.02 1jdu n LEU 32 CO 0.15 0.17 0.25 -0.76 -1.33 0.00 0.00 177.39 175.87 1jdu s LEU 33 N -2.62 3.73 -0.31 2.23 1.43 0.62 -4.90 118.68 118.86 1jdu s LEU 33 Ca 0.22 0.30 -0.18 0.00 -1.03 0.00 0.00 54.13 53.43 1jdu s LEU 33 Cb 0.19 -3.18 -0.01 0.00 0.03 0.00 0.00 46.19 43.22 1jdu s LEU 33 CO 0.56 -0.61 0.51 -1.10 0.23 0.00 0.00 176.35 175.93 1jdu s GLN 34 N -4.49 3.81 -1.15 1.70 -0.21 0.32 -4.40 119.66 115.24 1jdu s GLN 34 Ca 0.47 0.03 -0.03 0.00 0.02 0.00 0.00 55.36 55.85 1jdu s GLN 34 Cb -0.10 -3.74 -0.03 0.00 1.00 0.00 0.00 33.01 30.14 1jdu s GLN 34 CO 0.37 -0.51 0.94 -1.71 -2.12 0.00 0.00 175.29 172.26 1jdu n ASN 35 N 5.65 -3.87 -4.72 5.90 5.15 -1.26 -2.35 115.26 119.76 1jdu n ASN 35 Ca -0.05 -0.68 -0.43 0.00 -0.60 0.00 0.00 54.58 52.82 1jdu n ASN 35 Cb 0.49 -5.03 -0.02 0.00 -0.53 0.00 0.00 39.78 34.69 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 -3.79 2.50 -4.76 1.20 -0.02 -1.26 -4.66 135.00 124.20 1jdu n PRO 36 Ca -0.20 0.89 -0.25 0.00 -2.02 0.00 0.00 63.50 61.92 1jdu n PRO 36 Cb 0.65 -2.64 -0.16 0.00 -0.02 0.00 0.00 33.50 31.33 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 -0.32 1.66 -0.58 -0.52 -0.14 0.08 -4.94 119.74 114.98 1jdu s LYS 37 Ca 0.66 -0.56 -0.27 0.00 -1.36 0.00 0.00 55.97 54.45 1jdu s LYS 37 Cb -0.55 -1.45 0.03 0.00 -1.68 0.00 0.00 37.83 34.19 1jdu s LYS 37 CO 0.47 0.21 1.12 -1.17 -0.76 0.00 0.00 175.35 175.23 1jdu s LEU 38 N 0.09 3.64 0.00 3.17 2.96 -1.26 0.32 118.68 127.60 1jdu s LEU 38 Ca -0.04 -0.08 0.25 0.00 -0.22 0.00 0.00 54.13 54.04 1jdu s LEU 38 Cb -0.11 -3.01 0.54 0.00 0.50 0.00 0.00 46.19 44.11 1jdu s LEU 38 CO 0.02 -1.43 1.43 0.35 -1.32 0.00 0.00 176.35 175.40 1jdu n THR 39 N 6.50 0.00 -3.60 3.68 -2.24 0.11 -4.94 114.28 113.79 1jdu n THR 39 Ca 0.06 -0.10 -0.08 0.00 -2.27 0.00 0.00 64.05 61.66 1jdu n THR 39 Cb 0.48 0.48 -0.05 0.00 -2.10 0.00 0.00 70.33 69.14 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 -2.68 -0.31 0.00 3.42 2.47 -1.15 -3.91 114.94 112.78 1jdu s ASN 40 Ca 0.19 0.41 0.00 0.00 0.42 0.00 0.00 52.86 53.88 1jdu s ASN 40 Cb 0.18 0.35 0.00 0.00 -1.45 0.00 0.00 41.25 40.34 1jdu s ASN 40 CO 0.60 -0.24 0.51 -1.84 -3.72 0.00 0.00 177.10 172.42 1jdu n GLU 41 N 1.03 0.00 -2.28 0.43 0.28 -1.26 -1.23 120.64 117.62 1jdu n GLU 41 Ca -0.09 -0.44 -0.41 0.00 -0.16 0.00 0.00 57.16 56.06 1jdu n GLU 41 Cb 0.58 -0.32 -0.03 0.00 1.43 0.00 0.00 31.44 33.10 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 -0.25 6.99 -1.84 -1.84 2.47 -1.26 -3.01 114.94 116.20 1jdu s ASN 42 Ca 0.00 2.46 0.00 0.00 0.42 0.00 0.00 52.86 55.74 1jdu s ASN 42 Cb 0.00 -2.63 0.00 0.00 -1.45 0.00 0.00 41.25 37.17 1jdu s ASN 42 CO 0.00 -0.39 0.00 0.54 -3.72 0.00 0.00 177.10 173.53 1jdu n ARG 43 N 1.43 -1.47 -0.41 0.43 1.74 -1.26 -1.30 116.66 115.81 1jdu n ARG 43 Ca 0.01 1.07 0.00 0.00 -0.77 0.00 0.00 57.85 58.16 1jdu n ARG 43 Cb 0.43 -5.42 0.00 0.00 -1.02 0.00 0.00 32.46 26.45 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 -0.24 1.46 3.48 -0.13 0.00 -1.16 -4.96 105.19 103.64 1jdu n GLY 44 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 1jdu n GLY 44 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1jdu n PHE 45 N -2.00 4.60 -2.05 1.61 3.01 -0.42 -4.76 117.46 117.45 1jdu n PHE 45 Ca 0.00 -2.95 -0.41 0.00 1.01 0.00 0.00 57.45 55.10 1jdu n PHE 45 Cb 0.00 -2.53 -0.03 0.00 -0.01 0.00 0.00 39.48 36.91 1jdu n PHE 45 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1jdu s LEU 46 N 3.47 4.39 -0.07 4.37 1.43 -1.26 -4.12 118.68 126.88 1jdu s LEU 46 Ca 0.51 2.60 -0.00 0.00 -1.03 0.00 0.00 54.13 56.21 1jdu s LEU 46 Cb 0.04 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.66 1jdu s LEU 46 CO 0.05 -0.68 -0.03 -0.69 0.23 0.00 0.00 176.35 175.23 1jdu s VAL 47 N 0.17 0.59 -0.03 -1.59 1.01 -0.36 -1.55 120.40 118.63 1jdu s VAL 47 Ca 0.60 -0.05 0.06 0.00 0.00 0.00 0.00 61.98 62.59 1jdu s VAL 47 Cb -0.41 -0.67 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 1jdu s VAL 47 CO 0.41 0.28 -0.20 -0.31 0.00 0.00 0.00 175.10 175.28 1jdu s TYR 48 N 1.63 2.53 -0.08 5.22 1.51 0.04 -0.71 117.35 127.50 1jdu s TYR 48 Ca 0.01 -0.28 0.02 0.00 -1.01 0.00 0.00 57.07 55.80 1jdu s TYR 48 Cb -0.13 -1.57 0.01 0.00 -0.11 0.00 0.00 41.96 40.17 1jdu s TYR 48 CO -0.04 0.09 -0.13 0.99 -1.11 0.00 0.00 175.55 175.35 1jdu s THR 49 N -0.68 1.21 0.00 -0.71 2.01 0.15 -0.11 115.64 117.50 1jdu s THR 49 Ca 0.11 -0.50 0.00 0.00 0.31 0.00 0.00 61.69 61.61 1jdu s THR 49 Cb -0.10 -1.11 0.00 0.00 0.01 0.00 0.00 72.50 71.30 1jdu s THR 49 CO -0.00 0.38 0.00 0.61 -0.69 0.00 0.00 174.62 174.92 1jdu n GLY 50 N 3.98 3.28 3.36 4.40 0.00 -0.17 -0.74 105.19 119.30 1jdu n GLY 50 Ca -0.21 -0.78 -0.25 0.00 0.00 0.00 0.00 46.02 44.78 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 1.15 1.34 -0.10 1.61 1.02 -0.99 0.02 119.74 123.79 1jdu s LYS 51 Ca 0.00 -1.38 -0.04 0.00 0.02 0.00 0.00 55.97 54.57 1jdu s LYS 51 Cb 0.00 -1.61 0.05 0.00 -0.52 0.00 0.00 37.83 35.75 1jdu s LYS 51 CO 0.00 0.36 0.20 -0.47 -0.92 0.00 0.00 175.35 174.52 1jdu s TYR 52 N -1.55 -0.27 0.00 3.18 5.04 -0.50 0.12 117.35 123.37 1jdu s TYR 52 Ca 0.15 0.71 0.00 0.00 -2.44 0.00 0.00 57.07 55.49 1jdu s TYR 52 Cb -0.08 -0.10 0.00 0.00 0.35 0.00 0.00 41.96 42.13 1jdu s TYR 52 CO 0.07 -0.26 0.00 0.09 -1.34 0.00 0.00 175.55 174.11 1jdu n ASN 53 N 4.86 0.00 -1.78 4.32 3.02 -1.26 -1.97 115.26 122.45 1jdu n ASN 53 Ca -0.14 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.22 1jdu n ASN 53 Cb 0.51 0.00 0.13 0.00 -0.61 0.00 0.00 39.78 39.81 1jdu n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jdu n GLY 54 N 0.00 5.37 3.11 7.41 0.00 -1.26 -4.98 105.19 114.84 1jdu n GLY 54 Ca 0.00 -1.74 -0.15 0.00 0.00 0.00 0.00 46.02 44.12 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 -3.47 0.67 -0.05 1.61 2.56 -0.83 -5.13 118.70 114.06 1jdu s GLU 55 Ca 0.53 -0.85 -0.23 0.00 0.00 0.00 0.00 54.97 54.41 1jdu s GLU 55 Cb 0.44 -0.54 -0.04 0.00 2.00 0.00 0.00 34.13 35.99 1jdu s GLU 55 CO 0.02 0.11 0.70 0.99 -0.56 0.00 0.00 175.26 176.52 1jdu s THR 56 N -1.34 5.01 0.03 -1.70 2.01 -1.26 -1.42 115.64 116.97 1jdu s THR 56 Ca -0.06 1.44 0.01 0.00 0.31 0.00 0.00 61.69 63.39 1jdu s THR 56 Cb -0.10 -4.04 -0.02 0.00 0.01 0.00 0.00 72.50 68.35 1jdu s THR 56 CO 0.01 0.27 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.48 1jdu s VAL 57 N 0.65 0.31 0.19 3.82 1.01 0.10 -4.53 120.40 121.96 1jdu s VAL 57 Ca 0.37 -0.85 0.11 0.00 0.00 0.00 0.00 61.98 61.61 1jdu s VAL 57 Cb -0.18 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 1jdu s VAL 57 CO 0.18 -0.36 -0.19 -0.44 0.00 0.00 0.00 175.10 174.30 1jdu s SER 58 N -1.27 3.72 -0.19 3.32 0.01 -0.92 -0.99 113.70 117.37 1jdu s SER 58 Ca -0.11 -0.78 -0.01 0.00 1.31 0.00 0.00 55.95 56.37 1jdu s SER 58 Cb -0.08 -0.41 0.05 0.00 0.21 0.00 0.00 66.02 65.78 1jdu s SER 58 CO -0.00 0.11 -0.02 -0.63 0.41 0.00 0.00 173.24 173.11 1jdu s ILE 59 N -1.72 1.00 0.21 1.44 1.01 0.85 -1.30 121.20 122.68 1jdu s ILE 59 Ca 0.23 -0.75 0.10 0.00 0.00 0.00 0.00 60.65 60.22 1jdu s ILE 59 Cb -0.08 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 1jdu s ILE 59 CO 0.12 -0.05 -0.14 0.00 0.00 0.00 0.00 174.94 174.86 1jdu s ALA 60 N 1.65 2.82 -0.03 9.38 0.00 -0.56 -0.78 121.76 134.24 1jdu s ALA 60 Ca -0.02 -1.59 -0.03 0.00 0.00 0.00 0.00 51.96 50.32 1jdu s ALA 60 Cb -0.17 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.36 1jdu s ALA 60 CO -0.07 0.41 0.15 0.99 0.00 0.00 0.00 175.76 177.24 1jdu s THR 61 N -1.86 5.30 0.00 0.00 2.01 -0.59 -1.03 115.64 119.47 1jdu s THR 61 Ca 0.25 -0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.11 1jdu s THR 61 Cb -0.08 -3.43 0.00 0.00 0.01 0.00 0.00 72.50 69.00 1jdu s THR 61 CO 0.14 0.39 0.40 0.00 -0.69 0.00 0.00 174.62 174.86 1jdu n HIS 62 N 1.19 0.00 -4.65 4.92 1.44 -0.52 -4.76 115.22 112.83 1jdu n HIS 62 Ca -0.13 -0.05 0.00 0.00 -2.01 0.00 0.00 57.72 55.53 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 0.29 3.40 -1.39 0.00 -0.87 -3.40 105.19 103.17 1jdu n GLY 63 Ca 0.00 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 44.79 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 2.98 0.00 -0.61 1.01 -1.26 -4.50 121.20 118.82 1jdu s ILE 64 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 59.94 1jdu s ILE 64 Cb 0.00 -2.21 0.00 0.00 0.01 0.00 0.00 42.46 40.26 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 3.10 2.28 0.23 6.18 0.00 -1.26 -4.50 105.19 111.22 1jdu n GLY 65 Ca -0.18 -1.64 0.01 0.00 0.00 0.00 0.00 46.02 44.21 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 0.64 0.62 -0.02 0.00 -1.91 -1.38 103.07 101.02 1jdu h GLY 66 Ca 0.00 0.09 0.08 0.00 0.00 0.00 0.00 47.33 47.50 1jdu h GLY 66 CO 0.00 -0.20 0.57 -2.55 0.00 0.00 0.00 176.54 174.36 1jdu h PRO 67 N 0.11 0.96 -0.02 4.80 0.11 -1.95 -0.10 132.00 135.92 1jdu h PRO 67 Ca 0.32 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.37 1jdu h PRO 67 Cb 0.52 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 31.41 1jdu h PRO 67 CO -0.53 0.64 -0.01 1.03 -0.21 0.00 0.00 178.00 178.91 1jdu h SER 68 N 0.99 0.05 0.62 -2.05 0.87 -1.52 -2.75 113.55 109.77 1jdu h SER 68 Ca 0.42 -0.46 -0.06 0.00 -1.23 0.00 0.00 61.79 60.46 1jdu h SER 68 Cb 0.29 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 1jdu h SER 68 CO -0.21 0.50 -0.30 -0.29 -0.53 0.00 0.00 176.83 176.00 1jdu h ILE 69 N -0.41 0.87 -0.19 2.23 2.10 -1.11 -2.30 117.51 118.70 1jdu h ILE 69 Ca 0.00 -1.19 -0.07 0.00 1.08 0.00 0.00 64.86 64.68 1jdu h ILE 69 Cb 0.48 1.72 -0.00 0.00 -1.09 0.00 0.00 36.82 37.93 1jdu h ILE 69 CO 0.00 0.29 -0.14 0.00 -1.08 0.00 0.00 178.15 177.22 1jdu h ALA 70 N 1.70 0.27 -0.39 0.18 0.00 -1.03 0.36 119.26 120.35 1jdu h ALA 70 Ca -0.00 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.62 1jdu h ALA 70 Cb 0.69 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1jdu h ALA 70 CO 0.04 0.15 0.19 0.82 0.00 0.00 0.00 179.25 180.45 1jdu h ILE 71 N 0.11 0.96 -0.51 0.00 2.04 -1.26 -0.26 117.51 118.59 1jdu h ILE 71 Ca 0.04 -0.13 -0.05 0.00 1.00 0.00 0.00 64.86 65.72 1jdu h ILE 71 Cb 0.66 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1jdu h ILE 71 CO 0.04 0.07 0.12 0.58 0.00 0.00 0.00 178.15 178.96 1jdu h VAL 72 N 0.38 1.24 -0.21 1.67 2.07 -1.32 -2.55 116.25 117.53 1jdu h VAL 72 Ca 0.17 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 1jdu h VAL 72 Cb 0.08 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1jdu h VAL 72 CO -0.12 0.31 0.11 -0.07 0.02 0.00 0.00 177.57 177.82 1jdu h LEU 73 N 0.70 0.27 -0.32 2.57 3.38 -0.58 -1.48 115.31 119.86 1jdu h LEU 73 Ca 0.16 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.09 1jdu h LEU 73 Cb 0.34 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 1jdu h LEU 73 CO 0.00 0.30 -0.05 -0.33 0.09 0.00 0.00 178.44 178.46 1jdu h GLU 74 N 0.23 0.04 -0.02 1.13 4.39 -0.97 -1.95 114.58 117.42 1jdu h GLU 74 Ca 0.07 -0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.63 1jdu h GLU 74 Cb 0.09 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1jdu h GLU 74 CO -0.01 0.02 -0.62 0.93 -1.16 0.00 0.00 179.01 178.17 1jdu h GLU 75 N 0.04 0.09 -0.32 2.33 5.08 -1.34 -2.26 114.58 118.20 1jdu h GLU 75 Ca 0.15 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.35 1jdu h GLU 75 Cb 0.23 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1jdu h GLU 75 CO -0.30 0.68 -0.22 -0.07 -1.00 0.00 0.00 179.01 178.10 1jdu h LEU 76 N 0.07 0.61 -0.34 1.33 3.38 -1.03 -2.40 115.31 116.92 1jdu h LEU 76 Ca -0.01 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.68 1jdu h LEU 76 Cb 1.11 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1jdu h LEU 76 CO 0.09 0.82 -0.09 0.00 0.09 0.00 0.00 178.44 179.35 1jdu h ALA 77 N 1.23 0.47 0.00 1.53 0.00 -1.17 -1.30 119.26 120.01 1jdu h ALA 77 Ca 0.08 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1jdu h ALA 77 Cb 0.67 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1jdu h ALA 77 CO 0.05 0.33 0.00 0.52 0.00 0.00 0.00 179.25 180.15 1jdu h MET 78 N 0.45 0.00 -0.36 0.00 2.86 -1.17 0.31 114.93 117.02 1jdu h MET 78 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1jdu h MET 78 Cb 0.60 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.26 1jdu h MET 78 CO 0.04 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.29 1jdu n LEU 79 N -2.39 3.32 0.00 1.22 4.77 -0.59 -4.96 117.00 118.37 1jdu n LEU 79 Ca -0.01 -1.52 0.00 0.00 -0.03 0.00 0.00 56.01 54.45 1jdu n LEU 79 Cb 0.07 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1jdu n LEU 79 CO 0.13 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 1jdu n GLY 80 N 1.35 1.24 3.76 -0.72 0.00 0.11 -3.81 105.19 107.12 1jdu n GLY 80 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.00 3.60 0.00 4.61 0.00 -0.62 -4.10 121.76 123.25 1jdu s ALA 81 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.62 1jdu s ALA 81 Cb 0.00 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 20.68 1jdu s ALA 81 CO 0.00 0.17 0.09 0.27 0.00 0.00 0.00 175.76 176.29 1jdu n ASN 82 N 3.15 0.18 -3.92 0.00 0.23 -0.82 -4.17 115.26 109.90 1jdu n ASN 82 Ca -0.11 -0.56 -0.28 0.00 -0.53 0.00 0.00 54.58 53.09 1jdu n ASN 82 Cb 0.52 0.22 -0.16 0.00 -2.08 0.00 0.00 39.78 38.27 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 -0.22 1.22 -0.06 3.53 1.01 -1.00 -0.15 120.40 124.74 1jdu s VAL 83 Ca 0.00 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.38 1jdu s VAL 83 Cb 0.00 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 1jdu s VAL 83 CO 0.00 0.19 -0.21 -0.36 0.00 0.00 0.00 175.10 174.72 1jdu s PHE 84 N 1.59 2.11 -0.19 5.22 0.40 0.34 -0.89 117.98 126.56 1jdu s PHE 84 Ca 0.01 -0.66 -0.00 0.00 -0.60 0.00 0.00 56.93 55.68 1jdu s PHE 84 Cb -0.15 -1.41 0.05 0.00 0.51 0.00 0.00 43.02 42.02 1jdu s PHE 84 CO -0.08 -0.22 -0.04 0.42 0.70 0.00 0.00 175.22 175.99 1jdu s ILE 85 N 0.02 1.21 0.09 0.64 1.01 -0.60 -1.30 121.20 122.27 1jdu s ILE 85 Ca -0.06 -0.84 -0.26 0.00 0.00 0.00 0.00 60.65 59.49 1jdu s ILE 85 Cb -0.13 -1.45 -0.06 0.00 0.01 0.00 0.00 42.46 40.82 1jdu s ILE 85 CO 0.04 0.01 0.81 -0.60 0.00 0.00 0.00 174.94 175.19 1jdu s ARG 86 N 1.57 4.56 -0.13 2.79 3.52 -0.35 -0.95 118.95 129.95 1jdu s ARG 86 Ca -0.02 1.16 -0.01 0.00 -0.13 0.00 0.00 55.73 56.74 1jdu s ARG 86 Cb -0.17 -3.34 0.03 0.00 -1.56 0.00 0.00 34.95 29.92 1jdu s ARG 86 CO -0.07 0.35 -0.06 -0.47 -0.81 0.00 0.00 175.30 174.24 1jdu s TYR 87 N -0.36 1.49 0.00 5.12 5.04 0.27 -1.75 117.35 127.16 1jdu s TYR 87 Ca 0.39 -0.84 -0.00 0.00 -2.44 0.00 0.00 57.07 54.19 1jdu s TYR 87 Cb -0.22 -1.22 0.00 0.00 0.35 0.00 0.00 41.96 40.87 1jdu s TYR 87 CO 0.25 -0.54 0.00 0.41 -1.34 0.00 0.00 175.55 174.33 1jdu n GLY 88 N 4.94 2.92 3.97 8.97 0.00 -1.07 -4.33 105.19 120.58 1jdu n GLY 88 Ca -0.12 -1.31 -0.19 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.54 3.57 0.10 2.61 -4.23 -1.26 0.76 115.64 114.64 1jdu s THR 89 Ca 0.00 -1.06 -0.26 0.00 -1.18 0.00 0.00 61.69 59.19 1jdu s THR 89 Cb -0.00 -3.22 0.08 0.00 1.34 0.00 0.00 72.50 70.69 1jdu s THR 89 CO 0.00 -0.10 0.82 0.28 -0.54 0.00 0.00 174.62 175.08 1jdu s THR 90 N -2.27 0.00 -0.16 3.99 -1.32 -0.37 -4.72 115.64 110.79 1jdu s THR 90 Ca 0.48 -0.24 -0.03 0.00 -1.21 0.00 0.00 61.69 60.70 1jdu s THR 90 Cb -0.09 -1.31 -0.02 0.00 -1.51 0.00 0.00 72.50 69.57 1jdu s THR 90 CO 0.31 0.00 -0.07 -0.83 -2.21 0.00 0.00 174.62 171.82 1jdu s GLY 91 N -2.69 1.63 0.58 6.08 0.00 -1.09 -1.42 107.32 110.40 1jdu s GLY 91 Ca 0.06 -0.93 -0.17 0.00 0.00 0.00 0.00 44.72 43.68 1jdu s GLY 91 CO -0.06 0.02 1.08 0.00 0.00 0.00 0.00 173.10 174.13 1jdu s ALA 92 N 0.64 2.70 -0.84 3.20 0.00 0.12 -1.16 121.76 126.42 1jdu s ALA 92 Ca -0.04 0.54 0.07 0.00 0.00 0.00 0.00 51.96 52.53 1jdu s ALA 92 Cb -0.15 -3.28 0.11 0.00 0.00 0.00 0.00 23.12 19.80 1jdu s ALA 92 CO 0.03 -0.80 0.87 1.28 0.00 0.00 0.00 175.76 177.14 1jdu n LEU 93 N -1.78 1.94 -4.13 0.00 4.77 0.68 -0.88 117.00 117.60 1jdu n LEU 93 Ca 0.10 -1.31 -0.22 0.00 -0.03 0.00 0.00 56.01 54.54 1jdu n LEU 93 Cb 0.52 -0.05 -0.15 0.00 -2.33 0.00 0.00 43.42 41.42 1jdu n LEU 93 CO 0.45 0.43 -0.48 0.68 -1.33 0.00 0.00 177.39 177.14 1jdu s VAL 94 N -0.74 1.18 -0.33 4.08 -7.23 -1.25 -4.69 120.40 111.42 1jdu s VAL 94 Ca 0.11 -0.77 0.24 0.00 -1.81 0.00 0.00 61.98 59.76 1jdu s VAL 94 Cb 0.07 -1.01 0.26 0.00 0.56 0.00 0.00 36.38 36.26 1jdu s VAL 94 CO 0.10 0.23 1.74 1.55 -0.31 0.00 0.00 175.10 178.41 1jdu h PRO 95 N 5.48 0.00 -0.28 4.82 0.13 -1.94 -3.26 132.00 136.95 1jdu h PRO 95 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1jdu h PRO 95 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1jdu h PRO 95 CO 0.47 0.00 0.00 2.48 -0.23 0.00 0.00 178.00 180.72 1jdu n TYR 96 N -2.34 0.37 -4.56 1.56 0.18 -1.26 -4.81 117.16 106.30 1jdu n TYR 96 Ca 0.01 -0.19 -0.33 0.00 1.88 0.00 0.00 57.90 59.27 1jdu n TYR 96 Cb 0.18 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 39.00 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 -1.63 3.21 0.24 -3.48 1.01 -1.23 -5.11 121.20 114.21 1jdu s ILE 97 Ca 0.23 -0.59 -0.08 0.00 0.00 0.00 0.00 60.65 60.21 1jdu s ILE 97 Cb 0.12 -2.38 -0.06 0.00 0.01 0.00 0.00 42.46 40.15 1jdu s ILE 97 CO 0.16 0.50 0.54 0.20 0.00 0.00 0.00 174.94 176.34 1jdu s ASN 98 N 0.55 6.56 0.34 3.58 0.01 -1.26 -4.91 114.94 119.80 1jdu s ASN 98 Ca -0.07 0.83 -0.29 0.00 -0.71 0.00 0.00 52.86 52.62 1jdu s ASN 98 Cb -0.15 -2.19 -0.12 0.00 0.41 0.00 0.00 41.25 39.20 1jdu s ASN 98 CO 0.03 -0.10 1.49 0.18 -1.51 0.00 0.00 177.10 177.19 1jdu n LEU 99 N -0.36 4.36 0.00 0.60 4.77 -1.26 -1.63 117.00 123.48 1jdu n LEU 99 Ca -0.00 1.20 0.00 0.00 -0.03 0.00 0.00 56.01 57.17 1jdu n LEU 99 Cb 0.53 -1.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.04 1jdu n LEU 99 CO 0.46 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1jdu n GLY 100 N 1.13 3.35 3.84 -0.72 0.00 0.89 -5.00 105.19 108.67 1jdu n GLY 100 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.70 2.15 0.26 1.61 2.02 -0.64 -4.73 118.70 118.66 1jdu s GLU 101 Ca 0.00 0.45 0.09 0.00 0.02 0.00 0.00 54.97 55.53 1jdu s GLU 101 Cb 0.00 -1.94 -0.04 0.00 0.10 0.00 0.00 34.13 32.25 1jdu s GLU 101 CO 0.00 -1.53 0.04 0.71 0.02 0.00 0.00 175.26 174.50 1jdu s TYR 102 N -3.30 2.79 -0.15 1.61 1.51 -0.46 -1.64 117.35 117.72 1jdu s TYR 102 Ca 0.61 -0.19 -0.01 0.00 -1.01 0.00 0.00 57.07 56.47 1jdu s TYR 102 Cb -0.13 -1.25 0.04 0.00 -0.11 0.00 0.00 41.96 40.51 1jdu s TYR 102 CO 0.53 0.59 -0.04 0.42 -1.11 0.00 0.00 175.55 175.94 1jdu s ILE 103 N -2.23 0.96 -0.31 2.71 1.01 -0.43 -1.04 121.20 121.87 1jdu s ILE 103 Ca 0.31 -0.48 -0.19 0.00 0.00 0.00 0.00 60.65 60.30 1jdu s ILE 103 Cb -0.07 -1.14 -0.01 0.00 0.01 0.00 0.00 42.46 41.25 1jdu s ILE 103 CO 0.21 0.15 0.55 -0.63 0.00 0.00 0.00 174.94 175.22 1jdu s ILE 104 N 1.70 5.01 0.09 2.92 1.01 0.43 -1.04 121.20 131.32 1jdu s ILE 104 Ca 0.02 0.68 -0.30 0.00 0.00 0.00 0.00 60.65 61.04 1jdu s ILE 104 Cb -0.15 -3.92 -0.06 0.00 0.01 0.00 0.00 42.46 38.34 1jdu s ILE 104 CO -0.08 -0.09 1.17 -0.69 0.00 0.00 0.00 174.94 175.25 1jdu s VAL 105 N 2.43 4.01 -0.23 2.92 1.01 -0.72 -2.25 120.40 127.58 1jdu s VAL 105 Ca 0.21 1.51 0.12 0.00 0.00 0.00 0.00 61.98 63.82 1jdu s VAL 105 Cb -0.15 -3.97 -0.16 0.00 0.00 0.00 0.00 36.38 32.10 1jdu s VAL 105 CO 0.12 0.15 0.35 0.35 0.00 0.00 0.00 175.10 176.07 1jdu n THR 106 N 3.53 0.00 -3.60 3.92 -2.24 0.21 -4.64 114.28 111.46 1jdu n THR 106 Ca 0.07 -0.25 0.01 0.00 -2.27 0.00 0.00 64.05 61.61 1jdu n THR 106 Cb 0.46 0.55 -0.01 0.00 -2.10 0.00 0.00 70.33 69.24 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 -2.82 -0.39 -0.03 3.38 0.00 -1.26 -4.34 107.32 101.85 1jdu s GLY 107 Ca -0.01 1.13 0.01 0.00 0.00 0.00 0.00 44.72 45.86 1jdu s GLY 107 CO 0.48 0.29 -0.04 0.00 0.00 0.00 0.00 173.10 173.83 1jdu s ALA 108 N -2.21 0.61 0.15 3.20 0.00 -0.74 -1.41 121.76 121.35 1jdu s ALA 108 Ca 0.13 -0.07 -0.08 0.00 0.00 0.00 0.00 51.96 51.94 1jdu s ALA 108 Cb 0.04 -0.35 -0.06 0.00 0.00 0.00 0.00 23.12 22.75 1jdu s ALA 108 CO -0.05 0.02 0.44 -1.12 0.00 0.00 0.00 175.76 175.05 1jdu s SER 109 N 0.70 6.60 0.17 0.00 0.01 0.05 -4.65 113.70 116.58 1jdu s SER 109 Ca -0.09 0.78 -0.17 0.00 1.31 0.00 0.00 55.95 57.78 1jdu s SER 109 Cb -0.12 -2.17 0.03 0.00 0.21 0.00 0.00 66.02 63.97 1jdu s SER 109 CO 0.00 0.06 0.49 -0.72 0.41 0.00 0.00 173.24 173.48 1jdu s TYR 110 N -1.60 -0.17 -0.08 2.43 1.13 -1.26 -1.10 117.35 116.71 1jdu s TYR 110 Ca 0.40 -0.16 -0.13 0.00 -1.41 0.00 0.00 57.07 55.77 1jdu s TYR 110 Cb -0.13 0.36 -0.05 0.00 -1.10 0.00 0.00 41.96 41.04 1jdu s TYR 110 CO 0.21 -0.84 0.33 -0.80 -2.51 0.00 0.00 175.55 171.94 1jdu s ASN 111 N -2.84 6.62 -0.04 -0.18 0.01 -1.26 -5.01 114.94 112.24 1jdu s ASN 111 Ca 0.07 0.74 -0.40 0.00 -0.71 0.00 0.00 52.86 52.56 1jdu s ASN 111 Cb -0.00 -2.20 -0.19 0.00 0.41 0.00 0.00 41.25 39.27 1jdu s ASN 111 CO -0.06 0.25 1.21 0.00 -1.51 0.00 0.00 177.10 176.99 1jdu n GLN 112 N 2.49 0.30 -4.08 -0.60 1.13 -1.26 -4.91 117.38 110.45 1jdu n GLN 112 Ca -0.14 0.11 -0.10 0.00 -1.94 0.00 0.00 57.00 54.93 1jdu n GLN 112 Cb 0.53 -1.65 -0.07 0.00 0.11 0.00 0.00 30.24 29.16 1jdu n GLN 112 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1jdu s GLY 113 N 0.55 0.89 0.15 1.08 0.00 -1.26 -5.06 107.32 103.67 1jdu s GLY 113 Ca 0.91 -1.21 -0.18 0.00 0.00 0.00 0.00 44.72 44.25 1jdu s GLY 113 CO 0.58 -0.95 1.70 -1.33 0.00 0.00 0.00 173.10 173.10 1jdu h GLY 114 N 2.43 0.28 0.72 0.20 0.00 -1.98 0.14 103.07 104.86 1jdu h GLY 114 Ca -0.30 0.05 0.04 0.00 0.00 0.00 0.00 47.33 47.12 1jdu h GLY 114 CO 0.44 -0.08 0.18 -2.00 0.00 0.00 0.00 176.54 175.07 1jdu h LEU 115 N 0.07 0.23 -0.73 3.11 6.46 -1.98 0.66 115.31 123.13 1jdu h LEU 115 Ca 0.15 0.03 -0.09 0.00 -0.12 0.00 0.00 57.88 57.85 1jdu h LEU 115 Cb 0.21 -0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.11 1jdu h LEU 115 CO -0.26 0.17 -0.05 -0.26 -0.62 0.00 0.00 178.44 177.42 1jdu h PHE 116 N 0.37 1.01 -0.21 1.25 -1.00 -1.85 -1.61 116.94 114.89 1jdu h PHE 116 Ca 0.18 -0.18 -0.03 0.00 2.81 0.00 0.00 57.97 60.75 1jdu h PHE 116 Cb 0.13 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 39.42 1jdu h PHE 116 CO -0.12 0.93 -0.00 -0.92 -1.61 0.00 0.00 178.31 176.58 1jdu h TYR 117 N 0.84 0.41 -0.85 -0.55 3.20 -0.04 0.57 116.97 120.55 1jdu h TYR 117 Ca 0.15 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1jdu h TYR 117 Cb 0.57 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.69 1jdu h TYR 117 CO 0.03 0.56 0.53 1.96 -1.64 0.00 0.00 178.16 179.61 1jdu h GLN 118 N 0.14 1.15 0.09 1.82 4.20 0.44 0.35 115.11 123.29 1jdu h GLN 118 Ca 0.06 -0.09 -0.14 0.00 0.06 0.00 0.00 58.65 58.54 1jdu h GLN 118 Cb 0.40 -0.25 0.02 0.00 0.30 0.00 0.00 27.48 27.95 1jdu h GLN 118 CO 0.01 0.79 -0.61 1.88 -0.67 0.00 0.00 178.83 180.23 1jdu h TYR 119 N 1.17 0.44 0.00 2.96 0.05 -1.17 -3.35 116.97 117.07 1jdu h TYR 119 Ca 0.31 -0.30 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1jdu h TYR 119 Cb -0.08 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.64 1jdu h TYR 119 CO -0.01 1.21 -0.12 -0.07 -1.05 0.00 0.00 178.16 178.12 1jdu h LEU 120 N -0.46 0.00 0.00 3.88 3.38 0.16 -3.48 115.31 118.80 1jdu h LEU 120 Ca -0.10 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1jdu h LEU 120 Cb 1.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.20 1jdu h LEU 120 CO 0.12 0.01 0.00 0.54 0.09 0.00 0.00 178.44 179.20 1jdu n ARG 121 N -2.56 0.00 -2.42 1.13 1.74 0.12 -4.91 116.66 109.76 1jdu n ARG 121 Ca 0.04 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.07 1jdu n ARG 121 Cb 0.47 -2.68 0.01 0.00 -1.02 0.00 0.00 32.46 29.23 1jdu n ARG 121 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1jdu n ASP 122 N 0.00 -0.97 -1.61 0.55 3.85 -1.25 -5.01 116.55 112.12 1jdu n ASP 122 Ca 0.00 -1.80 0.02 0.00 -0.71 0.00 0.00 54.79 52.31 1jdu n ASP 122 Cb 0.00 1.65 0.29 0.00 -1.35 0.00 0.00 41.12 41.70 1jdu n ASP 122 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 1jdu n ASN 123 N -1.43 4.48 -4.75 -1.12 6.94 -1.26 -4.52 115.26 113.61 1jdu n ASN 123 Ca -0.03 -2.77 -0.38 0.00 -0.02 0.00 0.00 54.58 51.39 1jdu n ASN 123 Cb 0.28 -0.66 0.04 0.00 -2.36 0.00 0.00 39.78 37.08 1jdu n ASN 123 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1jdu s ALA 124 N -2.36 2.69 -1.21 -2.53 0.00 -1.26 -4.91 121.76 112.19 1jdu s ALA 124 Ca 0.42 1.21 -0.11 0.00 0.00 0.00 0.00 51.96 53.49 1jdu s ALA 124 Cb 0.32 -3.53 0.20 0.00 0.00 0.00 0.00 23.12 20.12 1jdu s ALA 124 CO 0.12 -1.32 1.53 0.00 0.00 0.00 0.00 175.76 176.09 1jdu s VAL 126 N 0.28 2.45 -0.09 0.00 1.01 -1.26 -4.88 120.40 117.92 1jdu s VAL 126 Ca 0.39 0.41 -0.31 0.00 0.00 0.00 0.00 61.98 62.47 1jdu s VAL 126 Cb 0.01 -3.26 -0.09 0.00 0.00 0.00 0.00 36.38 33.04 1jdu s VAL 126 CO 0.00 0.08 2.03 0.00 0.00 0.00 0.00 175.10 177.22 1jdu n ALA 127 N 1.46 1.42 -3.41 5.51 0.00 -1.26 -4.89 120.51 119.34 1jdu n ALA 127 Ca 0.04 0.09 -0.44 0.00 0.00 0.00 0.00 53.44 53.13 1jdu n ALA 127 Cb 0.40 -2.69 -0.03 0.00 0.00 0.00 0.00 19.45 17.13 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 5.59 6.71 0.21 0.00 0.15 -1.26 -4.78 113.70 120.32 1jdu s SER 128 Ca 0.95 -3.16 0.07 0.00 0.70 0.00 0.00 55.95 54.51 1jdu s SER 128 Cb -0.51 -2.14 -0.05 0.00 -1.71 0.00 0.00 66.02 61.62 1jdu s SER 128 CO 0.43 -0.40 -0.13 0.42 1.20 0.00 0.00 173.24 174.76 1jdu s THR 129 N -0.56 1.68 0.89 6.45 -4.23 -1.26 -1.79 115.64 116.81 1jdu s THR 129 Ca 0.24 -2.19 -0.14 0.00 -1.18 0.00 0.00 61.69 58.42 1jdu s THR 129 Cb -0.11 -2.07 0.15 0.00 1.34 0.00 0.00 72.50 71.82 1jdu s THR 129 CO -0.08 -0.58 1.25 -2.16 -0.54 0.00 0.00 174.62 172.50 1jdu s PRO 130 N -3.66 1.17 0.02 3.99 0.04 -1.26 -4.68 135.00 130.61 1jdu s PRO 130 Ca 0.23 -0.29 -0.30 0.00 0.04 0.00 0.00 61.00 60.68 1jdu s PRO 130 Cb -0.00 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 1jdu s PRO 130 CO 0.07 -2.06 1.24 0.34 0.04 0.00 0.00 177.00 176.62 1jdu s ASP 131 N -4.77 7.02 0.16 6.66 2.15 0.21 -4.93 116.67 123.17 1jdu s ASP 131 Ca 0.69 1.98 -0.17 0.00 0.43 0.00 0.00 52.55 55.48 1jdu s ASP 131 Cb -0.06 -2.57 0.08 0.00 -0.30 0.00 0.00 42.92 40.06 1jdu s ASP 131 CO 0.51 -0.55 1.70 0.15 -0.17 0.00 0.00 175.17 176.81 1jdu h PHE 132 N 7.18 -0.04 -0.41 -5.34 3.04 -1.94 -1.91 116.94 117.52 1jdu h PHE 132 Ca -0.39 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.57 1jdu h PHE 132 Cb 1.19 0.07 -0.02 0.00 2.56 0.00 0.00 35.95 39.76 1jdu h PHE 132 CO 0.70 -0.08 0.19 0.93 -2.02 0.00 0.00 178.31 178.03 1jdu h GLU 133 N 0.08 0.59 -0.95 1.11 5.08 -1.98 -2.44 114.58 116.08 1jdu h GLU 133 Ca 0.17 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1jdu h GLU 133 Cb 0.24 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 1jdu h GLU 133 CO -0.30 0.53 0.58 -0.07 -1.00 0.00 0.00 179.01 178.75 1jdu h LEU 134 N 0.52 1.13 -0.91 1.33 3.38 -1.85 -1.06 115.31 117.83 1jdu h LEU 134 Ca 0.14 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 1jdu h LEU 134 Cb 0.14 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1jdu h LEU 134 CO -0.02 0.86 -0.37 0.74 0.09 0.00 0.00 178.44 179.74 1jdu h THR 135 N 1.30 1.29 -0.15 0.22 2.02 -1.23 -2.09 112.91 114.27 1jdu h THR 135 Ca 0.34 -1.45 -0.16 0.00 0.77 0.00 0.00 66.41 65.91 1jdu h THR 135 Cb -0.07 1.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 1jdu h THR 135 CO -0.07 0.44 -0.59 0.78 0.37 0.00 0.00 175.52 176.46 1jdu h ASN 136 N 0.29 0.55 -0.24 4.18 2.35 -0.90 -2.16 115.58 119.65 1jdu h ASN 136 Ca 0.03 -0.31 -0.07 0.00 -0.55 0.00 0.00 56.30 55.41 1jdu h ASN 136 Cb 0.79 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.98 1jdu h ASN 136 CO 0.06 1.01 -0.06 0.11 -1.65 0.00 0.00 177.43 176.90 1jdu h LYS 137 N 0.37 0.59 -0.47 0.81 1.57 -0.98 -0.80 116.57 117.67 1jdu h LYS 137 Ca -0.00 -0.16 -0.10 0.00 -1.87 0.00 0.00 60.65 58.52 1jdu h LYS 137 Cb 1.13 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 1jdu h LYS 137 CO 0.11 0.66 -0.09 -0.07 -0.57 0.00 0.00 179.45 179.49 1jdu h LEU 138 N 0.56 0.83 -0.27 2.94 3.38 -1.18 0.35 115.31 121.91 1jdu h LEU 138 Ca 0.11 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1jdu h LEU 138 Cb 0.45 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1jdu h LEU 138 CO 0.02 0.95 0.13 0.58 0.09 0.00 0.00 178.44 180.21 1jdu h VAL 139 N 0.76 1.15 -0.82 1.22 2.07 -0.72 0.73 116.25 120.63 1jdu h VAL 139 Ca 0.13 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 1jdu h VAL 139 Cb 0.59 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 1jdu h VAL 139 CO 0.04 0.15 0.45 0.74 0.02 0.00 0.00 177.57 178.97 1jdu h THR 140 N 0.31 1.24 -0.08 2.57 2.02 -0.81 -0.60 112.91 117.56 1jdu h THR 140 Ca 0.09 -0.60 -0.01 0.00 0.77 0.00 0.00 66.41 66.66 1jdu h THR 140 Cb 0.12 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 66.67 1jdu h THR 140 CO -0.01 0.27 -0.01 0.28 0.37 0.00 0.00 175.52 176.42 1jdu h SER 141 N 1.15 0.14 0.77 4.18 0.02 -0.59 -1.21 113.55 118.01 1jdu h SER 141 Ca 0.29 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1jdu h SER 141 Cb 0.03 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.53 1jdu h SER 141 CO -0.05 0.44 0.00 -0.26 -1.14 0.00 0.00 176.83 175.82 1jdu h PHE 142 N -0.17 0.00 0.18 3.45 -1.00 -0.75 -2.64 116.94 116.02 1jdu h PHE 142 Ca 0.02 0.00 -0.25 0.00 2.81 0.00 0.00 57.97 60.55 1jdu h PHE 142 Cb 0.37 0.00 0.03 0.00 3.61 0.00 0.00 35.95 39.96 1jdu h PHE 142 CO 0.04 0.00 -1.10 1.03 -1.61 0.00 0.00 178.31 176.67 1jdu h SER 143 N 0.00 0.66 -0.42 2.17 0.87 -0.78 -1.18 113.55 114.87 1jdu h SER 143 Ca 0.00 -0.92 -0.02 0.00 -1.23 0.00 0.00 61.79 59.62 1jdu h SER 143 Cb 0.38 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 1jdu h SER 143 CO 0.00 1.53 0.18 0.11 -0.53 0.00 0.00 176.83 178.13 1jdu h LYS 144 N -0.11 0.62 -0.30 2.24 1.79 -0.88 -2.43 116.57 117.50 1jdu h LYS 144 Ca -0.19 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 1jdu h LYS 144 Cb 1.86 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 32.41 1jdu h LYS 144 CO 0.21 0.56 0.00 0.54 -1.08 0.00 0.00 179.45 179.68 1jdu n ARG 145 N -4.65 1.17 -3.83 3.15 1.74 -1.04 -4.91 116.66 108.30 1jdu n ARG 145 Ca 0.00 -0.21 -0.34 0.00 -0.77 0.00 0.00 57.85 56.53 1jdu n ARG 145 Cb 0.13 -1.18 0.02 0.00 -1.02 0.00 0.00 32.46 30.41 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 -0.23 -4.07 -4.55 0.55 3.02 -0.92 -4.99 115.26 104.07 1jdu n ASN 146 Ca 0.02 -1.08 -0.34 0.00 -0.03 0.00 0.00 54.58 53.15 1jdu n ASN 146 Cb 0.12 -2.91 -0.11 0.00 -0.61 0.00 0.00 39.78 36.27 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 -6.80 3.25 -0.23 3.41 1.43 -0.45 -5.06 118.68 114.24 1jdu s LEU 147 Ca 0.39 -0.06 -0.29 0.00 -1.03 0.00 0.00 54.13 53.14 1jdu s LEU 147 Cb -0.16 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 1jdu s LEU 147 CO 0.89 0.27 1.37 -0.54 0.23 0.00 0.00 176.35 178.57 1jdu s LYS 148 N -0.26 4.01 0.12 1.70 1.02 -1.26 -4.72 119.74 120.36 1jdu s LYS 148 Ca 0.04 1.51 0.05 0.00 0.02 0.00 0.00 55.97 57.59 1jdu s LYS 148 Cb -0.13 -3.88 -0.04 0.00 -0.52 0.00 0.00 37.83 33.27 1jdu s LYS 148 CO 0.02 -1.00 -0.11 1.52 -0.92 0.00 0.00 175.35 174.86 1jdu s TYR 149 N 4.22 1.25 0.01 3.18 -0.85 -1.26 -1.35 117.35 122.55 1jdu s TYR 149 Ca 0.60 -0.66 0.05 0.00 -0.52 0.00 0.00 57.07 56.54 1jdu s TYR 149 Cb -0.21 -0.65 -0.02 0.00 0.38 0.00 0.00 41.96 41.46 1jdu s TYR 149 CO 0.22 0.08 -0.16 0.71 -1.52 0.00 0.00 175.55 174.87 1jdu s TYR 150 N -2.68 1.45 -0.22 -3.49 1.51 -0.21 -4.96 117.35 108.76 1jdu s TYR 150 Ca 0.11 -0.32 -0.06 0.00 -1.01 0.00 0.00 57.07 55.80 1jdu s TYR 150 Cb -0.02 -0.90 -0.02 0.00 -0.11 0.00 0.00 41.96 40.91 1jdu s TYR 150 CO 0.01 0.02 0.01 0.08 -1.11 0.00 0.00 175.55 174.57 1jdu s VAL 151 N -0.60 3.97 0.01 0.71 1.01 -1.26 -0.43 120.40 123.80 1jdu s VAL 151 Ca 0.05 -0.30 -0.19 0.00 0.00 0.00 0.00 61.98 61.55 1jdu s VAL 151 Cb -0.07 -2.82 0.06 0.00 0.00 0.00 0.00 36.38 33.55 1jdu s VAL 151 CO 0.00 0.40 0.85 0.61 0.00 0.00 0.00 175.10 176.96 1jdu n GLY 152 N 4.54 0.42 3.89 4.51 0.00 -0.95 -4.98 105.19 112.61 1jdu n GLY 152 Ca -0.17 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.89 6.51 0.30 1.61 0.01 -1.25 -0.62 114.94 118.60 1jdu s ASN 153 Ca 0.20 0.91 0.07 0.00 -0.71 0.00 0.00 52.86 53.32 1jdu s ASN 153 Cb -0.01 -2.22 -0.06 0.00 0.41 0.00 0.00 41.25 39.37 1jdu s ASN 153 CO 0.00 -0.25 -0.06 0.68 -1.51 0.00 0.00 177.10 175.97 1jdu s VAL 154 N -2.14 1.74 -0.19 1.60 -7.23 -0.50 -1.25 120.40 112.42 1jdu s VAL 154 Ca 0.47 -2.13 -0.05 0.00 -1.81 0.00 0.00 61.98 58.47 1jdu s VAL 154 Cb -0.11 -2.52 -0.02 0.00 0.56 0.00 0.00 36.38 34.29 1jdu s VAL 154 CO 0.29 -0.26 -0.01 0.12 -0.31 0.00 0.00 175.10 174.92 1jdu s PHE 155 N -2.95 3.02 -0.73 2.82 5.36 -0.24 -0.77 117.98 124.50 1jdu s PHE 155 Ca 0.31 -0.48 -0.18 0.00 -0.96 0.00 0.00 56.93 55.61 1jdu s PHE 155 Cb 0.04 -2.06 0.13 0.00 -0.34 0.00 0.00 43.02 40.79 1jdu s PHE 155 CO 0.13 -0.23 0.84 -1.12 -1.46 0.00 0.00 175.22 173.38 1jdu s SER 156 N 0.92 6.41 0.47 6.13 0.01 -0.26 -1.75 113.70 125.63 1jdu s SER 156 Ca 0.01 -1.80 -0.20 0.00 1.31 0.00 0.00 55.95 55.26 1jdu s SER 156 Cb -0.14 -2.32 -0.09 0.00 0.21 0.00 0.00 66.02 63.68 1jdu s SER 156 CO 0.02 -1.02 1.01 -0.55 0.41 0.00 0.00 173.24 173.10 1jdu s SER 157 N 3.36 6.54 -0.01 2.44 0.15 -0.26 -4.65 113.70 121.26 1jdu s SER 157 Ca 0.19 1.83 0.12 0.00 0.70 0.00 0.00 55.95 58.79 1jdu s SER 157 Cb -0.16 -2.55 -0.16 0.00 -1.71 0.00 0.00 66.02 61.44 1jdu s SER 157 CO -0.00 -0.64 0.41 0.47 1.20 0.00 0.00 173.24 174.67 1jdu n ASP 158 N -0.92 1.26 -3.82 5.45 8.00 -1.26 -4.44 116.55 120.83 1jdu n ASP 158 Ca 0.08 -0.44 -0.30 0.00 0.71 0.00 0.00 54.79 54.85 1jdu n ASP 158 Cb 0.53 1.25 -0.14 0.00 -0.02 0.00 0.00 41.12 42.75 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 -2.46 2.56 0.25 2.24 0.00 -1.26 -4.98 121.76 118.11 1jdu s ALA 159 Ca 0.01 -2.75 -0.03 0.00 0.00 0.00 0.00 51.96 49.19 1jdu s ALA 159 Cb 0.09 -1.97 0.51 0.00 0.00 0.00 0.00 23.12 21.75 1jdu s ALA 159 CO 0.51 -1.99 1.71 0.35 0.00 0.00 0.00 175.76 176.34 1jdu h PHE 160 N 6.84 0.48 -0.49 0.00 3.57 -2.00 -2.13 116.94 123.21 1jdu h PHE 160 Ca -0.05 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1jdu h PHE 160 Cb 0.93 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.58 1jdu h PHE 160 CO 0.48 0.00 0.00 0.66 -2.23 0.00 0.00 178.31 177.23 1jdu n TYR 161 N -5.05 0.64 -2.14 0.41 4.02 -1.26 -4.95 117.16 108.83 1jdu n TYR 161 Ca 0.16 -0.32 -0.40 0.00 -0.01 0.00 0.00 57.90 57.33 1jdu n TYR 161 Cb 0.47 0.00 -0.01 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 -1.36 3.32 0.17 -0.72 0.00 -0.80 -4.99 121.76 117.38 1jdu s ALA 162 Ca 0.39 1.17 -0.12 0.00 0.00 0.00 0.00 51.96 53.40 1jdu s ALA 162 Cb 0.22 -3.45 -0.07 0.00 0.00 0.00 0.00 23.12 19.81 1jdu s ALA 162 CO 0.29 -0.68 0.54 -1.21 0.00 0.00 0.00 175.76 174.70 1jdu s GLU 163 N -2.08 3.90 -0.30 0.00 2.02 -1.26 -5.06 118.70 115.93 1jdu s GLU 163 Ca 0.54 0.39 -0.02 0.00 0.02 0.00 0.00 54.97 55.90 1jdu s GLU 163 Cb -0.37 -2.83 0.19 0.00 0.10 0.00 0.00 34.13 31.22 1jdu s GLU 163 CO 0.48 0.43 0.76 0.34 0.02 0.00 0.00 175.26 177.28 1jdu s ASP 164 N -1.95 -1.15 0.12 -0.19 -1.08 -1.26 -5.04 116.67 106.12 1jdu s ASP 164 Ca 0.41 0.35 0.11 0.00 -0.52 0.00 0.00 52.55 52.90 1jdu s ASP 164 Cb -0.13 1.82 0.54 0.00 -1.46 0.00 0.00 42.92 43.68 1jdu s ASP 164 CO 0.20 -0.21 1.34 -0.62 0.52 0.00 0.00 175.17 176.40 1jdu n GLU 165 N 5.37 0.06 -0.05 4.34 1.02 -1.26 -2.24 120.64 127.88 1jdu n GLU 165 Ca 0.02 0.49 0.07 0.00 -0.02 0.00 0.00 57.16 57.73 1jdu n GLU 165 Cb 0.54 -1.67 0.10 0.00 -0.02 0.00 0.00 31.44 30.39 1jdu n GLU 165 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1jdu n GLU 166 N -1.80 1.79 -0.22 3.49 1.02 -1.26 -4.88 120.64 118.79 1jdu n GLU 166 Ca 0.00 -2.27 -0.13 0.00 -0.02 0.00 0.00 57.16 54.75 1jdu n GLU 166 Cb 0.06 -1.36 -0.10 0.00 -0.02 0.00 0.00 31.44 30.03 1jdu n GLU 166 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1jdu h PHE 167 N 0.02 -1.73 -0.26 -0.32 3.04 -1.87 0.17 116.94 116.00 1jdu h PHE 167 Ca 0.00 0.09 0.03 0.00 3.98 0.00 0.00 57.97 62.08 1jdu h PHE 167 Cb 0.86 0.83 -0.03 0.00 2.56 0.00 0.00 35.95 40.16 1jdu h PHE 167 CO 0.00 -0.44 0.05 0.28 -2.02 0.00 0.00 178.31 176.18 1jdu h VAL 168 N -0.27 0.88 -0.33 1.41 2.07 -1.89 -1.99 116.25 116.13 1jdu h VAL 168 Ca 0.10 -0.05 -0.05 0.00 0.82 0.00 0.00 66.70 67.52 1jdu h VAL 168 Cb 0.53 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1jdu h VAL 168 CO -0.68 0.03 0.02 0.50 0.02 0.00 0.00 177.57 177.45 1jdu h LYS 169 N 0.15 0.57 -0.02 1.57 3.64 -1.82 -1.95 116.57 118.71 1jdu h LYS 169 Ca 0.12 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1jdu h LYS 169 Cb 0.12 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1jdu h LYS 169 CO -0.16 0.68 0.01 -0.22 -2.27 0.00 0.00 179.45 177.50 1jdu h LYS 170 N 0.38 0.03 0.00 1.90 3.64 -0.52 -2.04 116.57 119.97 1jdu h LYS 170 Ca 0.10 -0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.37 1jdu h LYS 170 Cb 0.42 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1jdu h LYS 170 CO 0.01 0.06 -0.50 -1.49 -2.27 0.00 0.00 179.45 175.26 1jdu h TRP 171 N -0.00 0.00 0.00 1.91 4.06 -1.41 -3.13 115.95 117.37 1jdu h TRP 171 Ca 0.01 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 60.81 1jdu h TRP 171 Cb 0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.17 1jdu h TRP 171 CO -0.07 0.50 -0.73 0.66 -3.56 0.00 0.00 178.44 175.24 1jdu h SER 172 N 0.00 0.00 0.04 -3.49 4.64 -1.34 -2.14 113.55 111.27 1jdu h SER 172 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1jdu h SER 172 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1jdu h SER 172 CO 0.07 0.67 -0.02 -1.54 -0.87 0.00 0.00 176.83 175.13 1jdu n SER 173 N -3.24 0.88 -1.39 4.97 3.41 -0.77 -3.17 113.62 114.31 1jdu n SER 173 Ca 0.00 -1.21 0.04 0.00 -0.26 0.00 0.00 58.87 57.44 1jdu n SER 173 Cb 0.81 -0.00 0.30 0.00 -0.26 0.00 0.00 64.21 65.06 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 -0.36 3.45 -1.34 4.33 1.74 -1.17 -4.94 116.66 118.36 1jdu n ARG 174 Ca 0.20 -3.01 -0.04 0.00 -0.77 0.00 0.00 57.85 54.23 1jdu n ARG 174 Cb 0.27 -2.02 -0.01 0.00 -1.02 0.00 0.00 32.46 29.67 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 -0.24 0.55 3.39 -0.13 0.00 -1.19 -5.04 105.19 102.53 1jdu n GLY 175 Ca 0.28 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.93 4.19 0.00 1.61 0.01 -0.81 -3.96 114.94 113.05 1jdu s ASN 176 Ca 0.00 -0.29 0.20 0.00 -0.71 0.00 0.00 52.86 52.06 1jdu s ASN 176 Cb 0.00 -1.65 0.05 0.00 0.41 0.00 0.00 41.25 40.05 1jdu s ASN 176 CO 0.00 0.16 1.03 2.30 -1.51 0.00 0.00 177.10 179.08 1jdu n ILE 177 N 3.59 0.00 -3.69 0.60 -5.35 -0.38 -3.79 119.36 110.33 1jdu n ILE 177 Ca -0.18 -0.36 -0.09 0.00 -0.27 0.00 0.00 62.75 61.85 1jdu n ILE 177 Cb 0.53 1.29 -0.02 0.00 -1.74 0.00 0.00 39.64 39.69 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 -2.05 -1.38 -0.02 -1.28 0.00 -1.25 -0.23 121.76 115.55 1jdu s ALA 178 Ca 0.18 0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.18 1jdu s ALA 178 Cb 0.16 0.85 0.00 0.00 0.00 0.00 0.00 23.12 24.14 1jdu s ALA 178 CO 0.42 -0.93 -0.08 0.54 0.00 0.00 0.00 175.76 175.71 1jdu s VAL 179 N -3.83 0.67 0.00 0.00 0.11 -0.31 -1.07 120.40 115.97 1jdu s VAL 179 Ca 0.07 -0.30 0.00 0.00 -2.93 0.00 0.00 61.98 58.82 1jdu s VAL 179 Cb -0.04 -0.60 0.00 0.00 -1.53 0.00 0.00 36.38 34.21 1jdu s VAL 179 CO -0.01 0.21 0.00 -1.84 -3.33 0.00 0.00 175.10 170.14 1jdu n GLU 180 N 3.28 0.00 0.00 1.54 -0.00 -0.72 -2.68 120.64 122.07 1jdu n GLU 180 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 1jdu n GLU 180 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.99 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 1.69 0.00 3.44 2.81 -1.26 -1.11 117.12 122.69 1jdu n MET 181 Ca 0.00 -0.06 0.00 0.00 -1.81 0.00 0.00 57.70 55.83 1jdu n MET 181 Cb 0.00 -0.34 0.00 0.00 -0.71 0.00 0.00 33.22 32.17 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 -0.26 4.79 -0.12 0.03 4.71 -1.26 -3.76 120.64 124.76 1jdu n GLU 182 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 57.16 57.09 1jdu n GLU 182 Cb 0.05 -0.64 0.02 0.00 -1.01 0.00 0.00 31.44 29.86 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 1.22 0.60 -0.13 0.00 0.00 -1.89 -0.17 119.26 118.90 1jdu h ALA 184 Ca 0.17 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1jdu h ALA 184 Cb 0.10 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1jdu h ALA 184 CO -0.14 -0.22 0.06 1.15 0.00 0.00 0.00 179.25 180.11 1jdu h THR 185 N 0.35 1.13 0.35 0.00 2.02 -1.84 -2.27 112.91 112.66 1jdu h THR 185 Ca 0.23 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 1jdu h THR 185 Cb 0.25 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 1jdu h THR 185 CO -0.24 0.11 -0.47 0.25 0.37 0.00 0.00 175.52 175.54 1jdu h LEU 186 N 0.08 -1.34 0.29 2.58 5.85 -0.72 -0.53 115.31 121.53 1jdu h LEU 186 Ca 0.05 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1jdu h LEU 186 Cb 0.13 0.46 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 1jdu h LEU 186 CO -0.01 -0.58 -0.40 -0.26 -0.34 0.00 0.00 178.44 176.85 1jdu h PHE 187 N -0.85 -1.12 -0.33 1.25 0.05 -1.08 0.55 116.94 115.41 1jdu h PHE 187 Ca -0.04 0.02 0.02 0.00 3.82 0.00 0.00 57.97 61.78 1jdu h PHE 187 Cb 0.77 0.45 -0.03 0.00 2.00 0.00 0.00 35.95 39.15 1jdu h PHE 187 CO -0.31 -0.54 0.17 1.15 -0.18 0.00 0.00 178.31 178.61 1jdu h THR 188 N -0.75 1.00 -0.61 -1.55 2.02 -1.42 0.86 112.91 112.46 1jdu h THR 188 Ca -0.01 -0.12 0.01 0.00 0.77 0.00 0.00 66.41 67.06 1jdu h THR 188 Cb 0.71 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 1jdu h THR 188 CO -0.13 0.07 0.40 -0.07 0.37 0.00 0.00 175.52 176.15 1jdu h LEU 189 N 0.36 0.67 -0.98 2.58 3.38 -1.00 -1.83 115.31 118.48 1jdu h LEU 189 Ca 0.14 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.13 1jdu h LEU 189 Cb 0.04 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 1jdu h LEU 189 CO -0.09 0.48 0.64 0.28 0.09 0.00 0.00 178.44 179.85 1jdu h SER 190 N 0.80 1.07 -0.42 -0.43 0.02 -0.04 0.06 113.55 114.60 1jdu h SER 190 Ca 0.23 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.09 1jdu h SER 190 Cb -0.06 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.22 1jdu h SER 190 CO -0.06 0.73 -0.04 0.11 -1.14 0.00 0.00 176.83 176.42 1jdu h LYS 191 N 1.24 0.84 0.00 3.45 1.79 -0.08 0.25 116.57 124.06 1jdu h LYS 191 Ca 0.39 -0.25 -0.16 0.00 -2.18 0.00 0.00 60.65 58.45 1jdu h LYS 191 Cb 0.01 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.56 1jdu h LYS 191 CO -0.13 0.87 -0.78 0.28 -1.08 0.00 0.00 179.45 178.61 1jdu h VAL 192 N 0.77 1.41 0.00 0.50 2.07 -0.86 -3.33 116.25 116.81 1jdu h VAL 192 Ca 0.14 -2.79 -0.25 0.00 0.82 0.00 0.00 66.70 64.61 1jdu h VAL 192 Cb 0.52 2.57 -0.05 0.00 -1.52 0.00 0.00 31.29 32.81 1jdu h VAL 192 CO 0.03 0.76 -1.77 0.29 0.02 0.00 0.00 177.57 176.89 1jdu n LYS 193 N -3.41 0.64 -0.06 1.57 4.76 -0.04 -5.00 118.16 116.63 1jdu n LYS 193 Ca 0.00 0.18 0.00 0.00 -2.87 0.00 0.00 58.31 55.63 1jdu n LYS 193 Cb 0.81 -1.73 0.00 0.00 -1.84 0.00 0.00 35.03 32.27 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 1.53 1.17 3.89 0.72 0.00 0.78 -5.07 105.19 108.22 1jdu n GLY 194 Ca -0.17 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 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 3.46 -0.36 1.61 0.51 -0.58 -5.03 118.94 116.55 1jdu s TRP 195 Ca 0.00 0.78 -0.14 0.00 -2.12 0.00 0.00 56.10 54.62 1jdu s TRP 195 Cb 0.00 -2.21 -0.01 0.00 -0.81 0.00 0.00 33.47 30.44 1jdu s TRP 195 CO 0.00 0.16 0.27 0.15 -0.51 0.00 0.00 176.95 177.02 1jdu s LYS 196 N -3.36 3.39 0.12 4.98 1.02 0.79 -4.57 119.74 122.10 1jdu s LYS 196 Ca 0.46 -0.70 0.06 0.00 0.02 0.00 0.00 55.97 55.81 1jdu s LYS 196 Cb -0.11 -3.85 -0.04 0.00 -0.52 0.00 0.00 37.83 33.32 1jdu s LYS 196 CO 0.27 -0.52 -0.15 -1.12 -0.92 0.00 0.00 175.35 172.91 1jdu s SER 197 N 1.72 2.02 0.31 2.83 0.01 -1.26 -0.50 113.70 118.83 1jdu s SER 197 Ca 0.07 -0.78 -0.12 0.00 1.31 0.00 0.00 55.95 56.42 1jdu s SER 197 Cb -0.18 -0.07 0.02 0.00 0.21 0.00 0.00 66.02 66.00 1jdu s SER 197 CO 0.11 -0.12 0.59 0.00 0.41 0.00 0.00 173.24 174.23 1jdu s ALA 198 N -1.98 -0.24 -0.18 1.44 0.00 -0.42 0.63 121.76 121.02 1jdu s ALA 198 Ca 0.08 -0.94 -0.24 0.00 0.00 0.00 0.00 51.96 50.86 1jdu s ALA 198 Cb -0.06 0.96 0.06 0.00 0.00 0.00 0.00 23.12 24.08 1jdu s ALA 198 CO 0.03 -0.90 0.63 0.99 0.00 0.00 0.00 175.76 176.51 1jdu s THR 199 N -3.30 0.00 -0.02 0.00 2.01 -1.26 -1.21 115.64 111.86 1jdu s THR 199 Ca 0.21 -0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.20 1jdu s THR 199 Cb -0.03 -0.90 0.00 0.00 0.01 0.00 0.00 72.50 71.59 1jdu s THR 199 CO 0.12 -0.02 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.28 1jdu s VAL 200 N -0.13 0.62 0.14 3.82 1.01 -0.72 -1.75 120.40 123.39 1jdu s VAL 200 Ca -0.03 -0.28 0.10 0.00 0.00 0.00 0.00 61.98 61.77 1jdu s VAL 200 Cb -0.03 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 1jdu s VAL 200 CO 0.03 0.20 -0.24 -0.76 0.00 0.00 0.00 175.10 174.33 1jdu s LEU 201 N 0.20 2.35 -0.21 3.92 1.43 -0.21 -2.60 118.68 123.57 1jdu s LEU 201 Ca -0.03 -0.77 -0.07 0.00 -1.03 0.00 0.00 54.13 52.23 1jdu s LEU 201 Cb -0.07 -1.09 -0.03 0.00 0.03 0.00 0.00 46.19 45.03 1jdu s LEU 201 CO 0.00 0.11 0.05 -0.69 0.23 0.00 0.00 176.35 176.06 1jdu s VAL 202 N -1.33 4.48 -0.40 -1.59 1.01 0.23 -1.31 120.40 121.49 1jdu s VAL 202 Ca 0.14 -0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.70 1jdu s VAL 202 Cb -0.09 -3.05 0.01 0.00 0.00 0.00 0.00 36.38 33.25 1jdu s VAL 202 CO 0.06 0.41 1.41 -0.69 0.00 0.00 0.00 175.10 176.29 1jdu s VAL 203 N 0.90 3.91 -2.06 2.92 1.01 -0.65 -1.24 120.40 125.19 1jdu s VAL 203 Ca 0.03 0.94 0.18 0.00 0.00 0.00 0.00 61.98 63.13 1jdu s VAL 203 Cb -0.14 -4.19 0.24 0.00 0.00 0.00 0.00 36.38 32.29 1jdu s VAL 203 CO 0.03 -0.73 1.17 -1.54 0.00 0.00 0.00 175.10 174.03 1jdu n SER 204 N 8.74 2.80 -3.59 3.32 3.41 -0.51 -0.08 113.62 127.71 1jdu n SER 204 Ca 0.16 -1.83 -0.09 0.00 -0.26 0.00 0.00 58.87 56.86 1jdu n SER 204 Cb 0.48 -0.11 -0.05 0.00 -0.26 0.00 0.00 64.21 64.27 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 -1.37 -0.32 -0.20 4.04 2.15 -1.18 -4.99 116.67 114.80 1jdu s ASP 205 Ca 0.26 0.34 0.01 0.00 0.43 0.00 0.00 52.55 53.59 1jdu s ASP 205 Cb 0.16 0.26 0.04 0.00 -0.30 0.00 0.00 42.92 43.08 1jdu s ASP 205 CO 0.24 -0.30 -0.14 0.21 -0.17 0.00 0.00 175.17 175.01 1jdu s ASN 206 N -1.12 3.40 0.00 -0.34 3.84 -1.26 0.13 114.94 119.58 1jdu s ASN 206 Ca 0.00 -0.85 0.29 0.00 0.21 0.00 0.00 52.86 52.51 1jdu s ASN 206 Cb -0.01 -1.35 1.52 0.00 -0.55 0.00 0.00 41.25 40.86 1jdu s ASN 206 CO 0.00 -0.10 2.00 0.18 -2.79 0.00 0.00 177.10 176.40 1jdu n LEU 207 N 4.64 0.59 -0.07 3.21 4.77 -0.06 -3.80 117.00 126.28 1jdu n LEU 207 Ca -0.17 -0.20 -0.08 0.00 -0.03 0.00 0.00 56.01 55.53 1jdu n LEU 207 Cb 0.47 -0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.48 1jdu n LEU 207 CO 0.22 0.10 -0.93 0.00 -1.33 0.00 0.00 177.39 175.45 1jdu n ALA 208 N -0.53 1.70 -1.57 -1.18 0.00 -1.26 -4.94 120.51 112.74 1jdu n ALA 208 Ca 0.21 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1jdu n ALA 208 Cb 0.20 0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.73 1jdu n ALA 208 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jdu n LYS 209 N -2.67 0.00 -3.35 0.00 4.76 -1.25 -4.81 118.16 110.84 1jdu n LYS 209 Ca -0.22 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 54.95 1jdu n LYS 209 Cb 0.83 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 34.00 1jdu n LYS 209 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1jdu s THR 215 N 0.91 5.07 0.46 -0.18 -4.23 -1.26 -4.94 115.64 111.47 1jdu s THR 215 Ca 0.00 -0.18 0.19 0.00 -1.18 0.00 0.00 61.69 60.52 1jdu s THR 215 Cb 0.00 -3.79 0.23 0.00 1.34 0.00 0.00 72.50 70.28 1jdu s THR 215 CO 0.00 -0.43 2.05 0.11 -0.54 0.00 0.00 174.62 175.81 1jdu h LYS 216 N 1.28 0.00 0.04 3.99 1.57 -2.05 -0.41 116.57 120.99 1jdu h LYS 216 Ca -0.48 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.07 1jdu h LYS 216 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1jdu h LYS 216 CO 0.64 0.13 -1.00 1.05 -0.57 0.00 0.00 179.45 179.71 1jdu h GLU 217 N 0.00 0.25 0.00 3.15 9.09 -2.04 -0.24 114.58 124.79 1jdu h GLU 217 Ca -0.00 -0.32 0.03 0.00 0.05 0.00 0.00 59.36 59.12 1jdu h GLU 217 Cb 0.26 0.10 -0.06 0.00 -1.65 0.00 0.00 28.75 27.41 1jdu h GLU 217 CO 0.02 1.06 -0.46 1.49 0.05 0.00 0.00 179.01 181.17 1jdu h GLU 218 N 0.12 -0.59 0.75 1.06 4.81 -1.54 -1.21 114.58 117.98 1jdu h GLU 218 Ca -0.07 0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1jdu h GLU 218 Cb 1.66 0.13 0.01 0.00 0.63 0.00 0.00 28.75 31.19 1jdu h GLU 218 CO 0.16 -0.39 -0.36 -0.07 -0.73 0.00 0.00 179.01 177.62 1jdu h LEU 219 N -0.61 -0.85 -0.75 1.64 3.38 -1.39 -2.57 115.31 114.16 1jdu h LEU 219 Ca 0.04 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.09 1jdu h LEU 219 Cb 0.68 0.22 -0.09 0.00 0.09 0.00 0.00 40.66 41.56 1jdu h LEU 219 CO -0.33 -0.50 -0.44 -0.62 0.09 0.00 0.00 178.44 176.64 1jdu n GLU 220 N -5.46 -0.33 -0.36 1.13 1.02 -0.11 0.12 120.64 116.66 1jdu n GLU 220 Ca -0.13 1.26 0.03 0.00 -0.02 0.00 0.00 57.16 58.30 1jdu n GLU 220 Cb 0.41 -1.86 0.19 0.00 -0.02 0.00 0.00 31.44 30.16 1jdu n GLU 220 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1jdu h LYS 221 N 0.00 1.12 -0.05 3.49 3.64 -1.30 0.85 116.57 124.31 1jdu h LYS 221 Ca 0.12 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1jdu h LYS 221 Cb 0.31 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1jdu h LYS 221 CO -0.70 0.74 0.03 1.03 -2.27 0.00 0.00 179.45 178.28 1jdu h SER 222 N 1.15 0.06 0.47 4.20 0.87 0.70 0.73 113.55 121.74 1jdu h SER 222 Ca 0.42 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.94 1jdu h SER 222 Cb 0.16 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 1jdu h SER 222 CO -0.16 0.08 -0.42 0.58 -0.53 0.00 0.00 176.83 176.37 1jdu h VAL 223 N 0.04 0.15 -0.37 2.23 2.07 0.19 -1.39 116.25 119.17 1jdu h VAL 223 Ca 0.02 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.61 1jdu h VAL 223 Cb 0.03 0.15 -0.07 0.00 -1.52 0.00 0.00 31.29 29.88 1jdu h VAL 223 CO -0.00 0.00 -0.07 0.24 0.02 0.00 0.00 177.57 177.76 1jdu h MET 224 N -0.90 0.02 -0.72 1.57 2.07 -0.78 -0.42 114.93 115.78 1jdu h MET 224 Ca -0.05 -0.00 0.03 0.00 -2.07 0.00 0.00 59.70 57.61 1jdu h MET 224 Cb 0.78 -0.00 -0.04 0.00 -1.87 0.00 0.00 31.60 30.46 1jdu h MET 224 CO -0.04 0.01 0.46 -0.44 1.07 0.00 0.00 176.91 177.98 1jdu h ASP 225 N 0.02 0.76 -0.43 1.22 3.32 -0.76 -1.65 116.42 118.90 1jdu h ASP 225 Ca 0.18 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1jdu h ASP 225 Cb 0.27 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1jdu h ASP 225 CO -0.36 0.53 0.28 1.23 -1.72 0.00 0.00 179.24 179.20 1jdu h GLY 226 N 0.90 0.61 0.79 2.75 0.00 -0.55 -2.05 103.07 105.53 1jdu h GLY 226 Ca 0.29 -0.23 0.05 0.00 0.00 0.00 0.00 47.33 47.44 1jdu h GLY 226 CO -0.10 0.23 0.63 0.00 0.00 0.00 0.00 176.54 177.29 1jdu h ALA 227 N 1.15 1.32 -0.51 3.60 0.00 -0.46 0.69 119.26 125.05 1jdu h ALA 227 Ca 0.16 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1jdu h ALA 227 Cb -0.06 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 1jdu h ALA 227 CO -0.03 0.45 0.18 0.87 0.00 0.00 0.00 179.25 180.72 1jdu h LYS 228 N 1.17 0.78 -0.84 0.00 1.57 -0.94 0.17 116.57 118.48 1jdu h LYS 228 Ca 0.41 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 1jdu h LYS 228 Cb 0.10 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 1jdu h LYS 228 CO -0.15 0.71 0.49 0.00 -0.57 0.00 0.00 179.45 179.93 1jdu h ALA 229 N 1.03 1.27 -0.12 3.86 0.00 -0.57 -0.74 119.26 123.99 1jdu h ALA 229 Ca 0.17 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1jdu h ALA 229 Cb 0.25 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1jdu h ALA 229 CO -0.01 0.61 -0.07 0.28 0.00 0.00 0.00 179.25 180.06 1jdu h VAL 230 N 1.17 1.33 -0.49 0.00 2.07 -0.36 -2.66 116.25 117.30 1jdu h VAL 230 Ca 0.30 -1.13 0.01 0.00 0.82 0.00 0.00 66.70 66.70 1jdu h VAL 230 Cb -0.01 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 1jdu h VAL 230 CO -0.05 0.32 0.33 -0.07 0.02 0.00 0.00 177.57 178.12 1jdu h LEU 231 N -0.10 0.55 -0.08 2.57 3.38 -0.39 0.60 115.31 121.84 1jdu h LEU 231 Ca 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1jdu h LEU 231 Cb 0.55 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1jdu h LEU 231 CO 0.02 0.39 0.03 0.44 0.09 0.00 0.00 178.44 179.42 1jdu h ASP 232 N 0.64 0.05 -0.62 -0.43 3.32 -1.02 -1.72 116.42 116.64 1jdu h ASP 232 Ca 0.18 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.24 1jdu h ASP 232 Cb -0.04 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 1jdu h ASP 232 CO -0.04 0.04 0.41 0.74 -1.72 0.00 0.00 179.24 178.67 1jdu h THR 233 N 0.08 1.16 0.00 0.35 2.02 -0.90 0.69 112.91 116.31 1jdu h THR 233 Ca 0.03 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 1jdu h THR 233 Cb 0.01 0.24 -0.00 0.00 -1.74 0.00 0.00 68.15 66.66 1jdu h THR 233 CO -0.03 0.15 -0.05 -0.07 0.37 0.00 0.00 175.52 175.90 1jdu h LEU 234 N 0.84 0.00 -2.89 2.58 3.38 -0.62 -1.52 115.31 117.09 1jdu h LEU 234 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1jdu h LEU 234 Cb -0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1jdu h LEU 234 CO -0.05 0.05 0.00 0.35 0.09 0.00 0.00 178.44 178.88 1jdu n THR 235 N -4.40 1.05 0.00 0.22 -2.24 -0.67 -4.97 114.28 103.26 1jdu n THR 235 Ca -0.03 -1.03 0.00 0.00 -2.27 0.00 0.00 64.05 60.72 1jdu n THR 235 Cb 0.13 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 1jdu n THR 235 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26