#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 -0.11 -1.45 0.24 -1.26 -4.57 118.33 111.18 1jdu n VAL 4 Ca 0.00 -0.02 -0.22 0.00 -2.04 0.00 0.00 64.34 62.05 1jdu n VAL 4 Cb 0.00 0.92 -0.08 0.00 -1.47 0.00 0.00 33.84 33.20 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 -1.54 0.00 -3.47 6.34 8.25 -1.26 -4.90 115.22 118.65 1jdu n HIS 5 Ca 0.04 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.09 1jdu n HIS 5 Cb 0.34 -0.79 -0.10 0.00 1.12 0.00 0.00 29.99 30.56 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 -2.40 5.23 -1.02 1.59 1.01 -1.26 -4.54 121.20 119.81 1jdu s ILE 6 Ca -0.30 -0.05 -0.04 0.00 0.00 0.00 0.00 60.65 60.26 1jdu s ILE 6 Cb 0.11 -3.75 0.29 0.00 0.01 0.00 0.00 42.46 39.11 1jdu s ILE 6 CO 0.40 -0.03 1.24 0.18 0.00 0.00 0.00 174.94 176.73 1jdu n LEU 7 N 5.24 5.68 -4.58 2.97 4.77 -1.26 -4.78 117.00 125.03 1jdu n LEU 7 Ca -0.11 -5.20 -0.31 0.00 -0.03 0.00 0.00 56.01 50.37 1jdu n LEU 7 Cb 0.50 -1.22 -0.10 0.00 -2.33 0.00 0.00 43.42 40.26 1jdu n LEU 7 CO 0.38 1.65 -0.41 0.00 -1.33 0.00 0.00 177.39 177.68 1jdu s ALA 8 N -2.29 2.97 1.05 -1.18 0.00 -1.26 -4.76 121.76 116.29 1jdu s ALA 8 Ca 0.32 -1.16 -0.09 0.00 0.00 0.00 0.00 51.96 51.03 1jdu s ALA 8 Cb 0.02 -0.97 0.12 0.00 0.00 0.00 0.00 23.12 22.29 1jdu s ALA 8 CO 0.03 0.63 0.59 1.63 0.00 0.00 0.00 175.76 178.63 1jdu n LYS 9 N 1.02 -1.22 -1.86 0.00 5.02 -1.26 -4.93 118.16 114.93 1jdu n LYS 9 Ca -0.14 -0.92 -0.42 0.00 -2.02 0.00 0.00 58.31 54.81 1jdu n LYS 9 Cb 0.52 -0.71 -0.03 0.00 -0.02 0.00 0.00 35.03 34.80 1jdu n LYS 9 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1jdu s LYS 10 N -4.30 4.18 -0.84 1.97 2.20 -1.26 -2.90 119.74 118.79 1jdu s LYS 10 Ca 0.35 2.40 0.00 0.00 -0.36 0.00 0.00 55.97 58.36 1jdu s LYS 10 Cb -0.02 -3.72 0.00 0.00 -1.51 0.00 0.00 37.83 32.58 1jdu s LYS 10 CO 0.25 -0.80 0.00 0.41 -0.36 0.00 0.00 175.35 174.86 1jdu n GLY 11 N 4.13 0.38 0.08 5.54 0.00 -1.26 -4.93 105.19 109.13 1jdu n GLY 11 Ca 0.17 -0.55 -0.06 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.18 0.63 -3.42 1.61 1.02 -1.14 -4.86 120.64 112.30 1jdu n GLU 12 Ca -0.10 0.25 -0.38 0.00 -0.02 0.00 0.00 57.16 56.91 1jdu n GLU 12 Cb 0.48 -1.78 -0.06 0.00 -0.02 0.00 0.00 31.44 30.06 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 -2.68 5.06 0.43 2.62 1.01 -1.26 -4.76 120.40 120.82 1jdu s VAL 13 Ca -0.05 0.90 -0.10 0.00 0.00 0.00 0.00 61.98 62.73 1jdu s VAL 13 Cb 0.08 -3.76 -0.06 0.00 0.00 0.00 0.00 36.38 32.64 1jdu s VAL 13 CO 0.82 0.49 0.80 0.00 0.00 0.00 0.00 175.10 177.21 1jdu s ALA 14 N -0.45 3.33 0.24 5.51 0.00 -1.26 -4.71 121.76 124.42 1jdu s ALA 14 Ca 0.25 -0.21 -0.06 0.00 0.00 0.00 0.00 51.96 51.93 1jdu s ALA 14 Cb -0.16 -2.73 0.29 0.00 0.00 0.00 0.00 23.12 20.52 1jdu s ALA 14 CO 0.12 -0.10 1.88 0.93 0.00 0.00 0.00 175.76 178.59 1jdu h GLU 15 N 1.02 1.09 -5.86 0.00 5.08 -1.84 -3.37 114.58 110.69 1jdu h GLU 15 Ca -0.47 -0.07 -0.60 0.00 -1.00 0.00 0.00 59.36 57.22 1jdu h GLU 15 Cb 1.19 -0.25 -0.07 0.00 0.50 0.00 0.00 28.75 30.13 1jdu h GLU 15 CO 0.63 0.72 -0.22 1.03 -1.00 0.00 0.00 179.01 180.17 1jdu s ARG 16 N -6.09 4.04 -0.04 2.33 3.00 -1.26 -2.14 118.95 118.79 1jdu s ARG 16 Ca -0.13 0.35 -0.02 0.00 0.00 0.00 0.00 55.73 55.94 1jdu s ARG 16 Cb 0.18 -3.29 0.03 0.00 0.00 0.00 0.00 34.95 31.87 1jdu s ARG 16 CO 0.80 0.52 0.09 0.08 0.00 0.00 0.00 175.30 176.79 1jdu s VAL 17 N -0.49 -0.05 -0.38 3.52 1.01 0.25 -2.30 120.40 121.96 1jdu s VAL 17 Ca 0.23 0.18 -0.16 0.00 0.00 0.00 0.00 61.98 62.23 1jdu s VAL 17 Cb -0.16 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.06 1jdu s VAL 17 CO 0.11 0.08 0.38 -0.22 0.00 0.00 0.00 175.10 175.44 1jdu s LEU 18 N 1.06 4.67 -0.16 3.92 0.20 0.62 -1.39 118.68 127.60 1jdu s LEU 18 Ca -0.08 -0.48 -0.06 0.00 0.69 0.00 0.00 54.13 54.20 1jdu s LEU 18 Cb -0.11 -2.33 -0.04 0.00 -0.43 0.00 0.00 46.19 43.28 1jdu s LEU 18 CO -0.04 -0.43 0.04 0.68 -0.29 0.00 0.00 176.35 176.31 1jdu s VAL 19 N 2.01 4.64 0.19 1.68 -7.23 -0.70 -1.25 120.40 119.74 1jdu s VAL 19 Ca 0.11 -0.09 0.07 0.00 -1.81 0.00 0.00 61.98 60.25 1jdu s VAL 19 Cb -0.17 -3.06 -0.05 0.00 0.56 0.00 0.00 36.38 33.66 1jdu s VAL 19 CO 0.12 0.49 -0.13 0.68 -0.31 0.00 0.00 175.10 175.95 1jdu s VAL 20 N 0.14 1.57 0.00 1.32 -7.23 -0.14 -0.62 120.40 115.44 1jdu s VAL 20 Ca 0.04 -2.17 -0.04 0.00 -1.81 0.00 0.00 61.98 58.00 1jdu s VAL 20 Cb -0.12 -2.00 -0.28 0.00 0.56 0.00 0.00 36.38 34.53 1jdu s VAL 20 CO 0.01 -0.63 0.85 1.23 -0.31 0.00 0.00 175.10 176.25 1jdu h GLY 21 N 2.61 0.30 -5.40 2.32 0.00 -1.79 0.16 103.07 101.26 1jdu h GLY 21 Ca -0.38 -0.76 -0.58 0.00 0.00 0.00 0.00 47.33 45.61 1jdu h GLY 21 CO 0.63 0.66 0.54 -0.35 0.00 0.00 0.00 176.54 178.02 1jdu s ASP 22 N -7.00 6.97 0.43 0.19 -1.08 -1.26 -2.58 116.67 112.34 1jdu s ASP 22 Ca -0.09 1.20 0.15 0.00 -0.52 0.00 0.00 52.55 53.29 1jdu s ASP 22 Cb 0.07 -2.48 0.96 0.00 -1.46 0.00 0.00 42.92 40.01 1jdu s ASP 22 CO 0.85 -0.52 1.95 1.55 0.52 0.00 0.00 175.17 179.52 1jdu h PRO 23 N 7.48 0.00 -0.41 4.34 0.13 -1.87 -2.12 132.00 139.54 1jdu h PRO 23 Ca -0.24 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.81 1jdu h PRO 23 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1jdu h PRO 23 CO 0.89 0.24 -0.05 0.78 -0.23 0.00 0.00 178.00 179.62 1jdu h GLY 24 N 0.76 0.82 1.37 1.56 0.00 -1.95 -1.98 103.07 103.64 1jdu h GLY 24 Ca -0.00 -0.65 -0.07 0.00 0.00 0.00 0.00 47.33 46.61 1jdu h GLY 24 CO 0.03 0.59 -0.00 -0.09 0.00 0.00 0.00 176.54 177.07 1jdu h ARG 25 N 0.59 0.77 -0.70 4.80 2.43 -1.89 0.49 114.38 120.87 1jdu h ARG 25 Ca 0.11 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1jdu h ARG 25 Cb 0.56 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 1jdu h ARG 25 CO 0.03 0.78 0.46 0.00 -1.51 0.00 0.00 179.97 179.73 1jdu h ALA 26 N 1.27 0.89 -0.10 2.80 0.00 -1.16 0.28 119.26 123.25 1jdu h ALA 26 Ca 0.14 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1jdu h ALA 26 Cb 0.44 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1jdu h ALA 26 CO 0.02 0.33 -0.08 -0.09 0.00 0.00 0.00 179.25 179.43 1jdu h ARG 27 N 0.96 0.23 -0.71 0.00 2.43 -0.90 -2.22 114.38 114.17 1jdu h ARG 27 Ca 0.26 -0.11 0.07 0.00 -0.81 0.00 0.00 59.98 59.38 1jdu h ARG 27 Cb -0.09 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.40 1jdu h ARG 27 CO -0.05 0.62 0.40 1.25 -1.51 0.00 0.00 179.97 180.67 1jdu h LEU 28 N -0.16 0.58 -0.76 3.80 5.85 -0.51 -1.96 115.31 122.15 1jdu h LEU 28 Ca 0.02 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1jdu h LEU 28 Cb 0.57 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1jdu h LEU 28 CO 0.02 0.36 0.00 -0.07 -0.34 0.00 0.00 178.44 178.41 1jdu h LEU 29 N 0.71 0.00 -0.55 2.25 3.38 -0.44 -3.11 115.31 117.56 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 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1jdu h LEU 29 CO -0.20 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.79 1jdu n SER 30 N -2.95 0.50 0.00 -0.43 3.41 -0.74 -2.13 113.62 111.29 1jdu n SER 30 Ca 0.02 0.63 0.12 0.00 -0.26 0.00 0.00 58.87 59.38 1jdu n SER 30 Cb 0.39 -0.73 0.55 0.00 -0.26 0.00 0.00 64.21 64.15 1jdu n SER 30 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1jdu n THR 31 N -2.06 0.27 1.33 6.66 -2.24 -1.17 -2.49 114.28 114.58 1jdu n THR 31 Ca 0.02 0.07 0.14 0.00 -2.27 0.00 0.00 64.05 62.01 1jdu n THR 31 Cb 0.21 -0.64 0.53 0.00 -2.10 0.00 0.00 70.33 68.32 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 -1.47 0.64 -4.99 3.22 4.77 -0.90 -4.88 117.00 113.38 1jdu n LEU 32 Ca 0.07 -0.07 -0.21 0.00 -0.03 0.00 0.00 56.01 55.77 1jdu n LEU 32 Cb 0.28 -0.17 0.05 0.00 -2.33 0.00 0.00 43.42 41.25 1jdu n LEU 32 CO 0.23 0.12 0.37 -0.76 -1.33 0.00 0.00 177.39 176.02 1jdu s LEU 33 N -2.51 3.24 -0.22 2.23 1.43 -1.04 -4.92 118.68 116.90 1jdu s LEU 33 Ca 0.26 -0.28 -0.09 0.00 -1.03 0.00 0.00 54.13 52.99 1jdu s LEU 33 Cb 0.20 -2.45 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 1jdu s LEU 33 CO 0.50 -1.28 0.11 -1.10 0.23 0.00 0.00 176.35 174.81 1jdu s GLN 34 N -4.77 4.00 -1.15 1.70 -0.21 0.84 -4.56 119.66 115.52 1jdu s GLN 34 Ca 0.60 -0.32 -0.18 0.00 0.02 0.00 0.00 55.36 55.47 1jdu s GLN 34 Cb -0.08 -3.38 -0.01 0.00 1.00 0.00 0.00 33.01 30.53 1jdu s GLN 34 CO 0.39 0.13 0.79 0.09 -2.12 0.00 0.00 175.29 174.57 1jdu n ASN 35 N 4.01 -5.12 -4.68 5.90 3.02 -1.26 -2.15 115.26 114.98 1jdu n ASN 35 Ca -0.16 -0.99 -0.42 0.00 -0.03 0.00 0.00 54.58 52.98 1jdu n ASN 35 Cb 0.52 -3.53 -0.03 0.00 -0.61 0.00 0.00 39.78 36.14 1jdu n ASN 35 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 1jdu s PRO 36 N -5.88 4.22 -0.09 3.52 0.02 -1.26 -4.67 135.00 130.86 1jdu s PRO 36 Ca 0.44 2.13 0.04 0.00 0.02 0.00 0.00 61.00 63.64 1jdu s PRO 36 Cb -0.15 -3.73 -0.00 0.00 0.02 0.00 0.00 34.50 30.64 1jdu s PRO 36 CO 0.85 -0.72 -0.24 -1.59 -0.33 0.00 0.00 177.00 174.98 1jdu s LYS 37 N 3.06 2.86 -0.42 5.54 -2.85 -0.89 -4.97 119.74 122.07 1jdu s LYS 37 Ca 0.69 -0.86 -0.28 0.00 -1.00 0.00 0.00 55.97 54.52 1jdu s LYS 37 Cb -0.34 -2.22 -0.01 0.00 -2.06 0.00 0.00 37.83 33.20 1jdu s LYS 37 CO 0.29 0.22 1.65 -1.17 0.10 0.00 0.00 175.35 176.44 1jdu s LEU 38 N 0.23 3.48 0.00 2.77 2.96 -1.26 -2.21 118.68 124.66 1jdu s LEU 38 Ca -0.15 0.90 0.24 0.00 -0.22 0.00 0.00 54.13 54.90 1jdu s LEU 38 Cb -0.17 -3.32 0.65 0.00 0.50 0.00 0.00 46.19 43.85 1jdu s LEU 38 CO 0.07 -1.73 1.51 0.35 -1.32 0.00 0.00 176.35 175.23 1jdu n THR 39 N 7.22 0.14 -3.65 3.68 -2.24 0.25 -4.94 114.28 114.74 1jdu n THR 39 Ca 0.19 -0.42 -0.02 0.00 -2.27 0.00 0.00 64.05 61.53 1jdu n THR 39 Cb 0.48 0.81 -0.06 0.00 -2.10 0.00 0.00 70.33 69.46 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 -1.80 -0.03 0.00 3.42 2.47 -1.22 -4.24 114.94 113.54 1jdu s ASN 40 Ca 0.34 0.05 0.00 0.00 0.42 0.00 0.00 52.86 53.67 1jdu s ASN 40 Cb 0.20 0.05 0.00 0.00 -1.45 0.00 0.00 41.25 40.05 1jdu s ASN 40 CO 0.30 -0.01 0.36 -1.84 -3.72 0.00 0.00 177.10 172.19 1jdu n GLU 41 N 1.34 0.00 -1.94 0.43 0.28 -1.26 -1.95 120.64 117.54 1jdu n GLU 41 Ca -0.08 -0.36 -0.40 0.00 -0.16 0.00 0.00 57.16 56.16 1jdu n GLU 41 Cb 0.57 -0.39 0.01 0.00 1.43 0.00 0.00 31.44 33.06 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 0.00 6.11 -1.24 -1.84 2.47 -1.26 -2.57 114.94 116.61 1jdu s ASN 42 Ca 0.00 2.77 0.00 0.00 0.42 0.00 0.00 52.86 56.05 1jdu s ASN 42 Cb 0.00 -2.65 0.00 0.00 -1.45 0.00 0.00 41.25 37.15 1jdu s ASN 42 CO 0.00 -1.00 0.00 0.54 -3.72 0.00 0.00 177.10 172.92 1jdu n ARG 43 N -0.02 -1.31 -0.87 0.43 1.74 -1.26 -1.36 116.66 114.01 1jdu n ARG 43 Ca 0.04 0.69 0.00 0.00 -0.77 0.00 0.00 57.85 57.81 1jdu n ARG 43 Cb 0.43 -4.93 0.00 0.00 -1.02 0.00 0.00 32.46 26.94 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 -0.25 0.99 3.51 -0.13 0.00 -1.06 -4.97 105.19 103.28 1jdu n GLY 44 Ca -0.12 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.76 3.21 0.23 1.61 0.40 -0.46 -4.81 117.98 114.39 1jdu s PHE 45 Ca 0.00 -1.93 -0.31 0.00 -0.60 0.00 0.00 56.93 54.09 1jdu s PHE 45 Cb 0.00 -4.49 -0.11 0.00 0.51 0.00 0.00 43.02 38.92 1jdu s PHE 45 CO 0.00 -1.56 1.64 -0.51 0.70 0.00 0.00 175.22 175.49 1jdu s LEU 46 N 2.66 4.36 -0.07 -0.37 1.43 -1.26 -4.28 118.68 121.16 1jdu s LEU 46 Ca 0.47 2.84 0.00 0.00 -1.03 0.00 0.00 54.13 56.41 1jdu s LEU 46 Cb -0.00 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.63 1jdu s LEU 46 CO 0.03 -0.91 -0.05 -0.69 0.23 0.00 0.00 176.35 174.96 1jdu s VAL 47 N 0.76 0.64 0.04 -1.59 1.01 -0.82 -1.36 120.40 119.08 1jdu s VAL 47 Ca 0.70 -0.12 0.08 0.00 0.00 0.00 0.00 61.98 62.63 1jdu s VAL 47 Cb -0.48 -0.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 1jdu s VAL 47 CO 0.37 0.27 -0.21 -0.31 0.00 0.00 0.00 175.10 175.22 1jdu s TYR 48 N 1.32 2.47 -0.07 5.22 1.51 0.38 -0.58 117.35 127.59 1jdu s TYR 48 Ca -0.04 -0.32 0.03 0.00 -1.01 0.00 0.00 57.07 55.73 1jdu s TYR 48 Cb -0.14 -1.44 0.01 0.00 -0.11 0.00 0.00 41.96 40.28 1jdu s TYR 48 CO -0.02 0.20 -0.15 0.99 -1.11 0.00 0.00 175.55 175.46 1jdu s THR 49 N -0.87 1.31 0.00 -0.71 2.01 -0.94 -0.19 115.64 116.26 1jdu s THR 49 Ca 0.13 -0.58 0.00 0.00 0.31 0.00 0.00 61.69 61.55 1jdu s THR 49 Cb -0.10 -1.18 0.00 0.00 0.01 0.00 0.00 72.50 71.23 1jdu s THR 49 CO 0.04 0.39 0.00 0.61 -0.69 0.00 0.00 174.62 174.97 1jdu n GLY 50 N 3.74 2.68 3.56 4.40 0.00 -0.30 -2.10 105.19 117.17 1jdu n GLY 50 Ca -0.22 -0.93 -0.31 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.44 2.31 -0.11 1.61 -0.14 -0.92 -1.65 119.74 120.42 1jdu s LYS 51 Ca 0.00 -0.87 -0.05 0.00 -1.36 0.00 0.00 55.97 53.69 1jdu s LYS 51 Cb 0.00 -2.37 0.05 0.00 -1.68 0.00 0.00 37.83 33.84 1jdu s LYS 51 CO 0.00 0.56 0.23 -0.47 -0.76 0.00 0.00 175.35 174.91 1jdu s TYR 52 N -1.04 -0.33 -1.58 3.18 5.04 0.69 -0.11 117.35 123.20 1jdu s TYR 52 Ca 0.18 0.80 -0.14 0.00 -2.44 0.00 0.00 57.07 55.47 1jdu s TYR 52 Cb -0.11 -0.04 0.10 0.00 0.35 0.00 0.00 41.96 42.26 1jdu s TYR 52 CO 0.09 -0.28 0.86 0.09 -1.34 0.00 0.00 175.55 174.97 1jdu n ASN 53 N 4.82 -3.74 -1.77 4.32 4.13 -1.26 0.19 115.26 121.94 1jdu n ASN 53 Ca -0.15 -0.89 -0.20 0.00 1.68 0.00 0.00 54.58 55.02 1jdu n ASN 53 Cb 0.51 -3.41 -0.06 0.00 -1.54 0.00 0.00 39.78 35.28 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 -1.60 1.10 3.30 7.41 0.00 -1.26 -4.98 105.19 109.16 1jdu n GLY 54 Ca 0.01 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 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 -4.13 1.20 -0.16 1.61 2.56 0.13 -5.10 118.70 114.81 1jdu s GLU 55 Ca 0.00 -1.17 -0.21 0.00 0.00 0.00 0.00 54.97 53.59 1jdu s GLU 55 Cb 0.00 -1.48 -0.03 0.00 2.00 0.00 0.00 34.13 34.62 1jdu s GLU 55 CO 0.00 0.35 0.64 0.99 -0.56 0.00 0.00 175.26 176.68 1jdu s THR 56 N -1.11 5.04 0.10 -1.70 2.01 -1.26 -0.23 115.64 118.49 1jdu s THR 56 Ca 0.08 1.26 -0.03 0.00 0.31 0.00 0.00 61.69 63.30 1jdu s THR 56 Cb -0.10 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.41 1jdu s THR 56 CO 0.04 0.16 0.06 0.68 -0.69 0.00 0.00 174.62 174.88 1jdu s VAL 57 N 1.52 0.15 0.07 3.82 -7.23 -0.66 -4.54 120.40 113.53 1jdu s VAL 57 Ca 0.31 -1.72 0.06 0.00 -1.81 0.00 0.00 61.98 58.82 1jdu s VAL 57 Cb -0.16 -1.72 -0.03 0.00 0.56 0.00 0.00 36.38 35.03 1jdu s VAL 57 CO 0.12 -0.68 -0.16 -0.44 -0.31 0.00 0.00 175.10 173.63 1jdu s SER 58 N -2.96 1.90 -0.18 4.85 0.01 -0.97 -1.14 113.70 115.20 1jdu s SER 58 Ca 0.14 -0.60 0.01 0.00 1.31 0.00 0.00 55.95 56.81 1jdu s SER 58 Cb 0.07 -0.08 0.03 0.00 0.21 0.00 0.00 66.02 66.25 1jdu s SER 58 CO -0.05 -0.02 -0.14 -0.63 0.41 0.00 0.00 173.24 172.81 1jdu s ILE 59 N -1.16 1.73 0.11 1.44 1.01 0.73 -0.28 121.20 124.77 1jdu s ILE 59 Ca 0.01 -0.89 0.10 0.00 0.00 0.00 0.00 60.65 59.87 1jdu s ILE 59 Cb -0.10 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 1jdu s ILE 59 CO 0.03 0.34 -0.25 0.00 0.00 0.00 0.00 174.94 175.06 1jdu s ALA 60 N 1.39 2.16 0.00 9.38 0.00 -0.38 -0.47 121.76 133.85 1jdu s ALA 60 Ca 0.02 -1.36 -0.19 0.00 0.00 0.00 0.00 51.96 50.43 1jdu s ALA 60 Cb -0.14 -0.35 -0.06 0.00 0.00 0.00 0.00 23.12 22.57 1jdu s ALA 60 CO -0.10 0.48 0.54 0.99 0.00 0.00 0.00 175.76 177.67 1jdu s THR 61 N -1.04 4.91 0.00 0.00 2.01 -0.46 -0.96 115.64 120.10 1jdu s THR 61 Ca 0.11 1.13 0.00 0.00 0.31 0.00 0.00 61.69 63.25 1jdu s THR 61 Cb -0.10 -3.87 0.00 0.00 0.01 0.00 0.00 72.50 68.54 1jdu s THR 61 CO 0.05 0.47 0.40 0.00 -0.69 0.00 0.00 174.62 174.85 1jdu n HIS 62 N 2.40 0.00 -4.28 4.92 1.44 0.56 -4.74 115.22 115.52 1jdu n HIS 62 Ca -0.09 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.62 1jdu n HIS 62 Cb 0.51 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.62 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 0.16 -1.14 3.52 -1.39 0.00 -1.07 -3.20 105.19 102.07 1jdu n GLY 63 Ca 0.00 -1.22 -0.34 0.00 0.00 0.00 0.00 46.02 44.46 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 3.63 0.00 -0.61 1.01 -1.26 -4.50 121.20 119.46 1jdu s ILE 64 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.17 1jdu s ILE 64 Cb 0.00 -2.52 0.00 0.00 0.01 0.00 0.00 42.46 39.95 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 2.84 0.51 0.19 6.18 0.00 -1.26 -4.49 105.19 109.17 1jdu n GLY 65 Ca -0.18 -1.61 -0.08 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.01 0.05 -0.02 0.00 -1.90 -1.69 103.07 99.51 1jdu h GLY 66 Ca 0.00 0.18 0.16 0.00 0.00 0.00 0.00 47.33 47.66 1jdu h GLY 66 CO 0.00 -0.15 0.28 -2.55 0.00 0.00 0.00 176.54 174.12 1jdu h PRO 67 N -0.15 0.39 0.30 4.80 0.11 -1.95 -0.29 132.00 135.21 1jdu h PRO 67 Ca 0.12 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 1jdu h PRO 67 Cb 0.32 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.35 1jdu h PRO 67 CO -0.29 0.26 -0.15 1.03 -0.21 0.00 0.00 178.00 178.64 1jdu h SER 68 N 0.40 -0.35 0.12 -2.05 0.87 -1.69 -2.89 113.55 107.96 1jdu h SER 68 Ca 0.43 -0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.81 1jdu h SER 68 Cb 0.70 0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.75 1jdu h SER 68 CO -0.44 0.01 -0.07 -0.29 -0.53 0.00 0.00 176.83 175.50 1jdu h ILE 69 N -0.73 0.79 -0.19 2.23 2.10 -1.03 -2.15 117.51 118.53 1jdu h ILE 69 Ca -0.04 -0.27 -0.03 0.00 1.08 0.00 0.00 64.86 65.60 1jdu h ILE 69 Cb 0.49 1.15 -0.01 0.00 -1.09 0.00 0.00 36.82 37.37 1jdu h ILE 69 CO 0.07 0.07 -0.01 0.00 -1.08 0.00 0.00 178.15 177.20 1jdu h ALA 70 N 1.93 0.25 0.07 0.18 0.00 -1.02 -0.35 119.26 120.32 1jdu h ALA 70 Ca -0.00 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1jdu h ALA 70 Cb 0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1jdu h ALA 70 CO 0.01 -0.03 -0.09 0.82 0.00 0.00 0.00 179.25 179.96 1jdu h ILE 71 N 0.08 0.78 -0.69 0.00 2.04 -1.19 -0.25 117.51 118.28 1jdu h ILE 71 Ca 0.05 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.94 1jdu h ILE 71 Cb 0.40 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 1jdu h ILE 71 CO 0.01 0.00 0.44 0.58 0.00 0.00 0.00 178.15 179.18 1jdu h VAL 72 N -0.20 1.11 -0.41 1.67 2.07 -1.36 -1.37 116.25 117.77 1jdu h VAL 72 Ca 0.01 -0.30 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 1jdu h VAL 72 Cb 0.21 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 1jdu h VAL 72 CO -0.05 0.16 0.02 -0.07 0.02 0.00 0.00 177.57 177.65 1jdu h LEU 73 N 0.86 0.69 -0.69 2.57 3.38 -0.86 -0.97 115.31 120.29 1jdu h LEU 73 Ca 0.27 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1jdu h LEU 73 Cb -0.01 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1jdu h LEU 73 CO -0.10 0.81 0.33 -0.33 0.09 0.00 0.00 178.44 179.25 1jdu h GLU 74 N 0.54 0.99 -0.12 1.13 4.39 -0.68 -1.24 114.58 119.59 1jdu h GLU 74 Ca 0.12 -0.15 -0.20 0.00 0.34 0.00 0.00 59.36 59.47 1jdu h GLU 74 Cb 0.45 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1jdu h GLU 74 CO 0.02 0.78 -0.74 0.93 -1.16 0.00 0.00 179.01 178.84 1jdu h GLU 75 N 0.96 0.60 -0.32 2.33 5.08 -1.20 -2.23 114.58 119.80 1jdu h GLU 75 Ca 0.24 -0.49 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1jdu h GLU 75 Cb 0.12 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1jdu h GLU 75 CO -0.03 1.11 0.18 -0.07 -1.00 0.00 0.00 179.01 179.20 1jdu h LEU 76 N 0.42 0.39 -1.05 1.33 3.38 -1.00 -0.37 115.31 118.41 1jdu h LEU 76 Ca -0.04 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1jdu h LEU 76 Cb 1.34 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.95 1jdu h LEU 76 CO 0.14 0.35 0.48 0.00 0.09 0.00 0.00 178.44 179.51 1jdu h ALA 77 N 1.06 1.29 -0.74 1.53 0.00 -1.23 -0.44 119.26 120.72 1jdu h ALA 77 Ca 0.11 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1jdu h ALA 77 Cb 0.04 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 1jdu h ALA 77 CO -0.02 0.60 0.49 0.52 0.00 0.00 0.00 179.25 180.84 1jdu h MET 78 N 1.15 0.98 -0.01 0.00 2.86 -0.75 -0.66 114.93 118.51 1jdu h MET 78 Ca 0.30 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 1jdu h MET 78 Cb -0.02 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.42 1jdu h MET 78 CO -0.05 0.66 0.00 1.28 1.06 0.00 0.00 176.91 179.85 1jdu n LEU 79 N -4.42 0.19 0.00 1.22 4.77 -0.21 -4.88 117.00 113.68 1jdu n LEU 79 Ca 0.08 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1jdu n LEU 79 Cb 0.04 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1jdu n LEU 79 CO 0.36 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1jdu n GLY 80 N 0.96 1.37 3.79 -0.72 0.00 -0.26 -4.50 105.19 105.84 1jdu n GLY 80 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.97 3.14 0.00 4.61 0.00 -0.62 -4.31 121.76 122.61 1jdu s ALA 81 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.48 1jdu s ALA 81 Cb 0.00 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.93 1jdu s ALA 81 CO 0.00 0.09 0.07 0.27 0.00 0.00 0.00 175.76 176.19 1jdu n ASN 82 N 0.11 0.00 -3.78 0.00 0.23 -0.91 -4.00 115.26 106.91 1jdu n ASN 82 Ca 0.04 -1.00 -0.27 0.00 -0.53 0.00 0.00 54.58 52.82 1jdu n ASN 82 Cb 0.51 0.00 -0.17 0.00 -2.08 0.00 0.00 39.78 38.04 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 0.62 -0.05 3.53 1.01 -0.93 -1.25 120.40 123.34 1jdu s VAL 83 Ca 0.00 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 61.65 1jdu s VAL 83 Cb 0.00 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.41 1jdu s VAL 83 CO 0.00 -0.01 -0.25 -0.36 0.00 0.00 0.00 175.10 174.49 1jdu s PHE 84 N 1.83 2.34 -0.26 5.22 0.40 0.95 -0.58 117.98 127.88 1jdu s PHE 84 Ca 0.01 -0.62 -0.01 0.00 -0.60 0.00 0.00 56.93 55.70 1jdu s PHE 84 Cb -0.15 -1.53 0.08 0.00 0.51 0.00 0.00 43.02 41.93 1jdu s PHE 84 CO -0.07 -0.16 0.06 0.42 0.70 0.00 0.00 175.22 176.16 1jdu s ILE 85 N -0.28 0.86 0.22 0.64 1.01 -0.48 -1.82 121.20 121.35 1jdu s ILE 85 Ca 0.00 -1.10 -0.30 0.00 0.00 0.00 0.00 60.65 59.25 1jdu s ILE 85 Cb -0.12 -1.49 -0.08 0.00 0.01 0.00 0.00 42.46 40.78 1jdu s ILE 85 CO 0.02 -0.44 1.04 -0.60 0.00 0.00 0.00 174.94 174.96 1jdu s ARG 86 N 1.66 4.69 -0.13 2.79 3.52 -0.53 -1.73 118.95 129.22 1jdu s ARG 86 Ca 0.04 1.65 -0.01 0.00 -0.13 0.00 0.00 55.73 57.28 1jdu s ARG 86 Cb -0.17 -3.26 0.04 0.00 -1.56 0.00 0.00 34.95 29.99 1jdu s ARG 86 CO -0.17 0.26 -0.02 -0.47 -0.81 0.00 0.00 175.30 174.08 1jdu s TYR 87 N -0.75 1.21 0.00 5.12 5.04 0.21 -1.97 117.35 126.21 1jdu s TYR 87 Ca 0.45 -0.68 0.00 0.00 -2.44 0.00 0.00 57.07 54.40 1jdu s TYR 87 Cb -0.28 -1.08 0.00 0.00 0.35 0.00 0.00 41.96 40.94 1jdu s TYR 87 CO 0.35 -0.50 0.00 0.41 -1.34 0.00 0.00 175.55 174.47 1jdu n GLY 88 N 5.01 2.61 3.93 8.97 0.00 -1.13 -4.30 105.19 120.27 1jdu n GLY 88 Ca -0.10 -1.16 -0.24 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.72 5.15 0.24 2.61 -4.23 -1.26 -0.65 115.64 114.79 1jdu s THR 89 Ca 0.00 -0.86 -0.15 0.00 -1.18 0.00 0.00 61.69 59.50 1jdu s THR 89 Cb 0.00 -3.70 0.00 0.00 1.34 0.00 0.00 72.50 70.14 1jdu s THR 89 CO 0.00 -0.17 0.52 0.28 -0.54 0.00 0.00 174.62 174.71 1jdu s THR 90 N -1.83 0.01 -0.15 3.99 -1.32 -0.62 -4.82 115.64 110.90 1jdu s THR 90 Ca 0.34 -1.24 0.02 0.00 -1.21 0.00 0.00 61.69 59.59 1jdu s THR 90 Cb -0.10 -2.06 0.01 0.00 -1.51 0.00 0.00 72.50 68.83 1jdu s THR 90 CO 0.28 -0.03 -0.20 -0.83 -2.21 0.00 0.00 174.62 171.63 1jdu s GLY 91 N -2.98 1.39 0.76 6.08 0.00 -1.03 -1.18 107.32 110.37 1jdu s GLY 91 Ca 0.18 -1.11 -0.13 0.00 0.00 0.00 0.00 44.72 43.67 1jdu s GLY 91 CO 0.07 0.05 1.13 0.00 0.00 0.00 0.00 173.10 174.34 1jdu s ALA 92 N 0.91 2.15 0.00 3.20 0.00 -0.54 -1.00 121.76 126.48 1jdu s ALA 92 Ca -0.04 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1jdu s ALA 92 Cb -0.15 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1jdu s ALA 92 CO -0.04 -1.83 0.67 1.28 0.00 0.00 0.00 175.76 175.85 1jdu n LEU 93 N -3.17 1.30 -4.22 0.00 4.77 -0.41 -1.54 117.00 113.73 1jdu n LEU 93 Ca 0.11 -1.30 -0.29 0.00 -0.03 0.00 0.00 56.01 54.50 1jdu n LEU 93 Cb 0.52 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.45 1jdu n LEU 93 CO 0.50 0.33 -0.54 0.68 -1.33 0.00 0.00 177.39 177.03 1jdu s VAL 94 N -0.40 1.74 -1.22 4.08 -7.23 -1.26 -4.71 120.40 111.40 1jdu s VAL 94 Ca 0.00 -0.91 0.12 0.00 -1.81 0.00 0.00 61.98 59.38 1jdu s VAL 94 Cb 0.00 -1.47 0.16 0.00 0.56 0.00 0.00 36.38 35.63 1jdu s VAL 94 CO 0.00 0.49 1.35 -0.81 -0.31 0.00 0.00 175.10 175.82 1jdu n PRO 95 N 2.85 0.09 -0.45 4.82 -0.04 -1.26 -3.35 135.00 137.65 1jdu n PRO 95 Ca -0.17 0.23 0.08 0.00 -0.04 0.00 0.00 63.50 63.60 1jdu n PRO 95 Cb 0.52 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.77 1jdu n PRO 95 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1jdu n TYR 96 N -1.39 1.11 -4.36 0.54 0.18 -1.26 -4.86 117.16 107.12 1jdu n TYR 96 Ca 0.04 -0.46 -0.33 0.00 1.88 0.00 0.00 57.90 59.03 1jdu n TYR 96 Cb 0.12 -0.16 -0.16 0.00 -0.38 0.00 0.00 39.34 38.76 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 -1.66 2.41 0.31 -3.48 1.01 -1.21 -5.12 121.20 113.45 1jdu s ILE 97 Ca 0.41 -0.84 -0.02 0.00 0.00 0.00 0.00 60.65 60.19 1jdu s ILE 97 Cb 0.25 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 40.66 1jdu s ILE 97 CO 0.21 0.52 0.54 0.20 0.00 0.00 0.00 174.94 176.41 1jdu s ASN 98 N 1.04 6.37 0.41 3.58 0.01 -1.26 -4.91 114.94 120.18 1jdu s ASN 98 Ca -0.01 0.58 -0.26 0.00 -0.71 0.00 0.00 52.86 52.46 1jdu s ASN 98 Cb -0.15 -2.09 -0.09 0.00 0.41 0.00 0.00 41.25 39.33 1jdu s ASN 98 CO -0.05 -0.23 1.43 -0.76 -1.51 0.00 0.00 177.10 175.98 1jdu s LEU 99 N -3.86 4.21 0.00 0.60 1.43 -1.26 -2.20 118.68 117.60 1jdu s LEU 99 Ca 0.42 2.92 0.00 0.00 -1.03 0.00 0.00 54.13 56.44 1jdu s LEU 99 Cb -0.10 -3.83 0.00 0.00 0.03 0.00 0.00 46.19 42.29 1jdu s LEU 99 CO 0.33 -1.00 0.00 0.61 0.23 0.00 0.00 176.35 176.52 1jdu n GLY 100 N 0.56 2.21 3.94 -3.19 0.00 -0.03 -4.99 105.19 103.68 1jdu n GLY 100 Ca 0.03 0.00 -0.27 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 -0.59 1.64 0.16 1.61 2.02 -0.93 -4.79 118.70 117.81 1jdu s GLU 101 Ca 0.00 -0.40 0.11 0.00 0.02 0.00 0.00 54.97 54.70 1jdu s GLU 101 Cb 0.00 -2.08 -0.04 0.00 0.10 0.00 0.00 34.13 32.11 1jdu s GLU 101 CO 0.00 -1.65 -0.24 0.71 0.02 0.00 0.00 175.26 174.10 1jdu s TYR 102 N -3.45 2.18 -0.14 1.61 1.51 -0.68 -1.50 117.35 116.88 1jdu s TYR 102 Ca 0.65 -0.39 0.02 0.00 -1.01 0.00 0.00 57.07 56.35 1jdu s TYR 102 Cb -0.08 -1.12 0.01 0.00 -0.11 0.00 0.00 41.96 40.66 1jdu s TYR 102 CO 0.48 0.40 -0.20 0.42 -1.11 0.00 0.00 175.55 175.53 1jdu s ILE 103 N -1.50 1.96 -0.47 2.71 1.01 0.03 0.29 121.20 125.22 1jdu s ILE 103 Ca 0.17 -0.91 -0.14 0.00 0.00 0.00 0.00 60.65 59.77 1jdu s ILE 103 Cb -0.08 -1.75 0.09 0.00 0.01 0.00 0.00 42.46 40.72 1jdu s ILE 103 CO 0.08 0.53 0.38 -0.63 0.00 0.00 0.00 174.94 175.30 1jdu s ILE 104 N 0.97 4.97 0.19 2.92 1.01 0.40 -0.81 121.20 130.84 1jdu s ILE 104 Ca -0.04 -1.25 -0.33 0.00 0.00 0.00 0.00 60.65 59.03 1jdu s ILE 104 Cb -0.15 -4.03 -0.13 0.00 0.01 0.00 0.00 42.46 38.16 1jdu s ILE 104 CO -0.05 -0.63 1.66 0.52 0.00 0.00 0.00 174.94 176.45 1jdu n VAL 105 N 5.14 0.00 0.34 2.92 0.31 -1.00 -2.82 118.33 123.22 1jdu n VAL 105 Ca -0.12 -0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.25 1jdu n VAL 105 Cb 0.43 -1.79 0.00 0.00 -0.91 0.00 0.00 33.84 31.57 1jdu n VAL 105 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1jdu n THR 106 N 3.74 0.00 0.00 2.52 -2.24 0.18 -4.64 114.28 113.84 1jdu n THR 106 Ca 0.16 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1jdu n THR 106 Cb 0.32 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.65 1jdu n THR 106 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jdu n GLY 107 N 0.75 1.12 2.88 3.38 0.00 -1.26 -4.51 105.19 107.54 1jdu n GLY 107 Ca 0.03 -0.81 -0.20 0.00 0.00 0.00 0.00 46.02 45.04 1jdu n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jdu s ALA 108 N -2.00 0.66 0.37 4.61 0.00 -0.47 -1.59 121.76 123.35 1jdu s ALA 108 Ca 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 51.96 51.86 1jdu s ALA 108 Cb 0.00 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 1jdu s ALA 108 CO 0.00 -0.07 0.64 -1.12 0.00 0.00 0.00 175.76 175.22 1jdu s SER 109 N 1.03 6.35 -0.06 0.00 0.01 0.29 -4.63 113.70 116.70 1jdu s SER 109 Ca -0.09 0.74 -0.29 0.00 1.31 0.00 0.00 55.95 57.61 1jdu s SER 109 Cb -0.14 -2.16 0.11 0.00 0.21 0.00 0.00 66.02 64.04 1jdu s SER 109 CO -0.01 -0.36 0.90 -0.72 0.41 0.00 0.00 173.24 173.47 1jdu s TYR 110 N -2.37 -0.39 -0.24 2.43 1.13 -1.26 -0.94 117.35 115.70 1jdu s TYR 110 Ca 0.44 0.44 -0.20 0.00 -1.41 0.00 0.00 57.07 56.34 1jdu s TYR 110 Cb -0.10 0.50 -0.02 0.00 -1.10 0.00 0.00 41.96 41.23 1jdu s TYR 110 CO 0.36 -0.49 0.61 -0.80 -2.51 0.00 0.00 175.55 172.72 1jdu s ASN 111 N -1.91 6.58 1.16 -0.18 0.01 -1.26 -5.04 114.94 114.30 1jdu s ASN 111 Ca 0.01 0.71 -0.15 0.00 -0.71 0.00 0.00 52.86 52.72 1jdu s ASN 111 Cb -0.01 -2.33 0.27 0.00 0.41 0.00 0.00 41.25 39.59 1jdu s ASN 111 CO -0.04 -0.33 1.05 0.00 -1.51 0.00 0.00 177.10 176.27 1jdu s GLN 112 N 2.31 -0.85 0.00 -0.60 -2.07 -1.26 -4.88 119.66 112.31 1jdu s GLN 112 Ca 0.26 0.44 0.00 0.00 -1.82 0.00 0.00 55.36 54.24 1jdu s GLN 112 Cb -0.16 -1.59 0.00 0.00 -1.09 0.00 0.00 33.01 30.17 1jdu s GLN 112 CO 0.09 -3.57 0.00 0.41 -1.32 0.00 0.00 175.29 170.90 1jdu n GLY 113 N -0.11 0.23 1.01 2.60 0.00 -1.26 -5.04 105.19 102.62 1jdu n GLY 113 Ca 0.07 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 0.31 0.30 -0.02 0.00 -1.26 -1.43 105.19 103.08 1jdu n GLY 114 Ca 0.00 0.05 0.04 0.00 0.00 0.00 0.00 46.02 46.11 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 0.59 -0.62 0.99 6.46 -1.97 -2.61 115.31 118.15 1jdu h LEU 115 Ca 0.00 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.81 1jdu h LEU 115 Cb 0.00 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 39.86 1jdu h LEU 115 CO 0.00 0.31 0.32 -0.26 -0.62 0.00 0.00 178.44 178.19 1jdu h PHE 116 N 0.71 0.88 -0.52 1.25 -1.00 -1.71 -2.52 116.94 114.02 1jdu h PHE 116 Ca 0.41 -0.03 -0.00 0.00 2.81 0.00 0.00 57.97 61.15 1jdu h PHE 116 Cb 0.46 -0.28 -0.02 0.00 3.61 0.00 0.00 35.95 39.72 1jdu h PHE 116 CO -0.08 0.65 0.31 -0.92 -1.61 0.00 0.00 178.31 176.66 1jdu h TYR 117 N 0.85 0.69 -0.40 -0.55 3.20 -0.86 0.54 116.97 120.44 1jdu h TYR 117 Ca 0.22 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.06 1jdu h TYR 117 Cb 0.08 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 1jdu h TYR 117 CO -0.00 0.49 0.14 1.96 -1.64 0.00 0.00 178.16 179.10 1jdu h GLN 118 N 0.69 0.58 0.06 1.82 4.20 -1.38 0.13 115.11 121.21 1jdu h GLN 118 Ca 0.19 -0.08 -0.17 0.00 0.06 0.00 0.00 58.65 58.65 1jdu h GLN 118 Cb 0.00 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1jdu h GLN 118 CO -0.03 0.49 -0.86 1.88 -0.67 0.00 0.00 178.83 179.64 1jdu h TYR 119 N 0.57 0.22 -0.00 2.96 0.05 -0.99 -3.36 116.97 116.42 1jdu h TYR 119 Ca 0.14 -0.16 0.00 0.00 0.05 0.00 0.00 58.73 58.76 1jdu h TYR 119 Cb 0.15 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.88 1jdu h TYR 119 CO 0.01 1.34 -0.11 1.28 -1.05 0.00 0.00 178.16 179.63 1jdu n LEU 120 N -4.28 0.23 0.00 3.88 4.77 0.19 -4.91 117.00 116.88 1jdu n LEU 120 Ca -0.21 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1jdu n LEU 120 Cb 0.71 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1jdu n LEU 120 CO 0.35 0.05 0.00 0.54 -1.33 0.00 0.00 177.39 176.99 1jdu n ARG 121 N -1.27 -0.58 -3.86 3.23 1.74 0.45 -4.86 116.66 111.51 1jdu n ARG 121 Ca 0.11 0.15 -0.04 0.00 -0.77 0.00 0.00 57.85 57.30 1jdu n ARG 121 Cb 0.30 -4.27 0.02 0.00 -1.02 0.00 0.00 32.46 27.48 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 -2.13 -0.01 -0.22 0.55 3.84 -1.24 -5.03 116.67 112.42 1jdu s ASP 122 Ca 0.00 -0.71 0.06 0.00 -0.00 0.00 0.00 52.55 51.90 1jdu s ASP 122 Cb 0.00 0.55 0.49 0.00 -1.38 0.00 0.00 42.92 42.58 1jdu s ASP 122 CO 0.00 -1.08 1.45 0.59 -0.00 0.00 0.00 175.17 176.13 1jdu n ASN 123 N -1.17 3.82 -4.75 2.11 3.02 -1.26 -4.54 115.26 112.48 1jdu n ASN 123 Ca -0.04 -2.82 -0.38 0.00 -0.03 0.00 0.00 54.58 51.31 1jdu n ASN 123 Cb 0.60 -0.67 0.03 0.00 -0.61 0.00 0.00 39.78 39.13 1jdu n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jdu s ALA 124 N -2.15 2.86 -1.18 5.41 0.00 -1.26 -4.91 121.76 120.53 1jdu s ALA 124 Ca 0.36 1.24 -0.12 0.00 0.00 0.00 0.00 51.96 53.44 1jdu s ALA 124 Cb 0.29 -3.52 0.21 0.00 0.00 0.00 0.00 23.12 20.10 1jdu s ALA 124 CO 0.09 -1.20 1.33 0.00 0.00 0.00 0.00 175.76 175.97 1jdu s VAL 126 N 0.49 2.47 0.01 0.00 1.01 -1.26 -4.90 120.40 118.22 1jdu s VAL 126 Ca 0.38 0.47 -0.32 0.00 0.00 0.00 0.00 61.98 62.52 1jdu s VAL 126 Cb -0.05 -3.30 -0.10 0.00 0.00 0.00 0.00 36.38 32.93 1jdu s VAL 126 CO -0.03 0.11 1.92 0.00 0.00 0.00 0.00 175.10 177.10 1jdu n ALA 127 N 0.62 1.42 -3.37 5.51 0.00 -1.26 -4.89 120.51 118.54 1jdu n ALA 127 Ca 0.01 0.25 -0.42 0.00 0.00 0.00 0.00 53.44 53.28 1jdu n ALA 127 Cb 0.41 -2.61 -0.02 0.00 0.00 0.00 0.00 19.45 17.24 1jdu n ALA 127 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1jdu n SER 128 N 6.93 5.29 -4.43 0.00 2.88 -1.26 -4.77 113.62 118.26 1jdu n SER 128 Ca 0.21 -3.12 -0.25 0.00 -1.33 0.00 0.00 58.87 54.38 1jdu n SER 128 Cb 0.36 -1.27 -0.11 0.00 -0.75 0.00 0.00 64.21 62.44 1jdu n SER 128 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1jdu s THR 129 N -1.53 2.35 0.74 2.46 -4.23 -1.26 -1.37 115.64 112.79 1jdu s THR 129 Ca 0.30 -2.17 -0.06 0.00 -1.18 0.00 0.00 61.69 58.58 1jdu s THR 129 Cb -0.07 -2.17 0.10 0.00 1.34 0.00 0.00 72.50 71.70 1jdu s THR 129 CO -0.07 -0.25 1.04 -2.16 -0.54 0.00 0.00 174.62 172.64 1jdu s PRO 130 N -3.03 1.83 0.08 3.99 0.04 -1.26 -4.70 135.00 131.95 1jdu s PRO 130 Ca 0.24 -0.56 -0.31 0.00 0.04 0.00 0.00 61.00 60.41 1jdu s PRO 130 Cb -0.06 -2.19 -0.08 0.00 0.04 0.00 0.00 34.50 32.21 1jdu s PRO 130 CO 0.11 -1.44 1.53 0.34 0.04 0.00 0.00 177.00 177.58 1jdu s ASP 131 N -4.63 6.70 0.11 6.66 2.15 0.12 -4.91 116.67 122.87 1jdu s ASP 131 Ca 0.64 2.40 -0.28 0.00 0.43 0.00 0.00 52.55 55.73 1jdu s ASP 131 Cb -0.08 -2.57 -0.09 0.00 -0.30 0.00 0.00 42.92 39.87 1jdu s ASP 131 CO 0.45 -0.79 1.62 0.15 -0.17 0.00 0.00 175.17 176.44 1jdu h PHE 132 N 7.61 -0.83 -0.06 -5.34 3.57 -1.94 -1.81 116.94 118.14 1jdu h PHE 132 Ca -0.41 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.13 1jdu h PHE 132 Cb 1.20 0.34 -0.04 0.00 2.79 0.00 0.00 35.95 40.24 1jdu h PHE 132 CO 0.72 -0.42 -0.15 0.93 -2.23 0.00 0.00 178.31 177.16 1jdu h GLU 133 N -0.55 -0.22 -0.90 1.11 5.08 -1.97 -2.19 114.58 114.93 1jdu h GLU 133 Ca 0.02 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.45 1jdu h GLU 133 Cb 0.56 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.80 1jdu h GLU 133 CO -0.15 -0.15 0.57 1.25 -1.00 0.00 0.00 179.01 179.53 1jdu h LEU 134 N -0.23 0.91 -1.11 1.33 6.46 -1.89 -0.90 115.31 119.88 1jdu h LEU 134 Ca 0.07 0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.79 1jdu h LEU 134 Cb 0.32 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.05 1jdu h LEU 134 CO -0.19 0.59 0.09 0.74 -0.62 0.00 0.00 178.44 179.05 1jdu h THR 135 N 1.05 1.21 -0.56 1.05 2.02 -0.99 -1.77 112.91 114.91 1jdu h THR 135 Ca 0.39 -0.79 -0.10 0.00 0.77 0.00 0.00 66.41 66.68 1jdu h THR 135 Cb 0.15 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 1jdu h THR 135 CO -0.17 0.29 -0.05 0.78 0.37 0.00 0.00 175.52 176.74 1jdu h ASN 136 N 0.69 1.00 -0.59 4.18 2.35 -0.59 -1.88 115.58 120.74 1jdu h ASN 136 Ca 0.15 -0.30 0.04 0.00 -0.55 0.00 0.00 56.30 55.64 1jdu h ASN 136 Cb 0.30 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.35 1jdu h ASN 136 CO 0.00 1.08 0.35 0.11 -1.65 0.00 0.00 177.43 177.31 1jdu h LYS 137 N 0.92 0.65 -0.87 0.81 1.57 -0.55 -0.46 116.57 118.64 1jdu h LYS 137 Ca 0.16 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.92 1jdu h LYS 137 Cb 0.59 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.71 1jdu h LYS 137 CO 0.04 0.43 0.56 -0.07 -0.57 0.00 0.00 179.45 179.84 1jdu h LEU 138 N 0.67 0.95 -0.21 2.94 3.38 -1.03 0.11 115.31 122.12 1jdu h LEU 138 Ca 0.25 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1jdu h LEU 138 Cb 0.07 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1jdu h LEU 138 CO -0.12 0.67 0.12 0.58 0.09 0.00 0.00 178.44 179.77 1jdu h VAL 139 N 1.12 1.09 -0.28 1.22 2.07 -0.51 0.14 116.25 121.10 1jdu h VAL 139 Ca 0.34 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.62 1jdu h VAL 139 Cb -0.04 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1jdu h VAL 139 CO -0.10 0.09 0.18 0.74 0.02 0.00 0.00 177.57 178.50 1jdu h THR 140 N 0.24 1.06 -0.25 2.57 2.02 -0.62 -1.83 112.91 116.10 1jdu h THR 140 Ca 0.07 -0.13 0.03 0.00 0.77 0.00 0.00 66.41 67.16 1jdu h THR 140 Cb 0.04 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 1jdu h THR 140 CO -0.01 0.07 0.04 -1.28 0.37 0.00 0.00 175.52 174.71 1jdu h SER 141 N 0.37 -0.00 -0.46 4.18 0.87 -0.43 0.42 113.55 118.50 1jdu h SER 141 Ca 0.10 0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 60.60 1jdu h SER 141 Cb -0.03 0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 1jdu h SER 141 CO -0.03 0.03 -0.09 -0.26 -0.53 0.00 0.00 176.83 175.95 1jdu h PHE 142 N 0.14 1.02 0.00 2.24 -1.00 -0.57 -2.51 116.94 116.26 1jdu h PHE 142 Ca 0.11 -0.19 -0.11 0.00 2.81 0.00 0.00 57.97 60.59 1jdu h PHE 142 Cb 0.12 -0.26 -0.02 0.00 3.61 0.00 0.00 35.95 39.40 1jdu h PHE 142 CO -0.16 0.96 -0.53 0.66 -1.61 0.00 0.00 178.31 177.63 1jdu h SER 143 N 0.83 0.00 0.81 2.17 4.64 -1.17 -1.42 113.55 119.41 1jdu h SER 143 Ca 0.14 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.41 1jdu h SER 143 Cb 0.62 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.70 1jdu h SER 143 CO 0.04 0.53 -0.23 0.50 -0.87 0.00 0.00 176.83 176.81 1jdu h LYS 144 N 0.00 0.00 -0.53 4.77 3.64 -0.67 -1.83 116.57 121.94 1jdu h LYS 144 Ca -0.01 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1jdu h LYS 144 Cb 1.17 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.96 1jdu h LYS 144 CO 0.07 0.23 0.06 0.54 -2.27 0.00 0.00 179.45 178.08 1jdu n ARG 145 N -3.46 4.06 -4.23 1.90 1.74 -0.96 -4.97 116.66 110.74 1jdu n ARG 145 Ca -0.00 -3.08 -0.38 0.00 -0.77 0.00 0.00 57.85 53.62 1jdu n ARG 145 Cb 0.41 -2.15 -0.05 0.00 -1.02 0.00 0.00 32.46 29.65 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 0.10 -1.04 -4.67 0.55 3.02 -0.69 -4.95 115.26 107.57 1jdu n ASN 146 Ca 0.30 -1.29 -0.35 0.00 -0.03 0.00 0.00 54.58 53.20 1jdu n ASN 146 Cb 1.17 -1.59 -0.10 0.00 -0.61 0.00 0.00 39.78 38.66 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 -7.44 3.62 -0.13 3.41 1.43 -0.56 -5.03 118.68 113.98 1jdu s LEU 147 Ca 0.20 0.13 -0.29 0.00 -1.03 0.00 0.00 54.13 53.13 1jdu s LEU 147 Cb -0.11 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 1jdu s LEU 147 CO 0.99 0.34 1.18 -0.75 0.23 0.00 0.00 176.35 178.34 1jdu s LYS 148 N -0.62 4.30 0.04 1.70 2.47 -1.26 -4.61 119.74 121.76 1jdu s LYS 148 Ca 0.10 1.59 -0.05 0.00 -1.56 0.00 0.00 55.97 56.05 1jdu s LYS 148 Cb -0.12 -3.65 -0.01 0.00 -1.46 0.00 0.00 37.83 32.59 1jdu s LYS 148 CO 0.02 -0.57 0.08 1.52 0.16 0.00 0.00 175.35 176.57 1jdu s TYR 149 N 2.86 0.24 0.25 4.03 -0.85 -1.26 -1.68 117.35 120.93 1jdu s TYR 149 Ca 0.53 -0.58 0.11 0.00 -0.52 0.00 0.00 57.07 56.61 1jdu s TYR 149 Cb -0.21 -0.17 -0.05 0.00 0.38 0.00 0.00 41.96 41.91 1jdu s TYR 149 CO 0.16 -0.37 -0.20 0.71 -1.52 0.00 0.00 175.55 174.33 1jdu s TYR 150 N -2.79 2.21 -0.11 -3.49 1.51 0.15 -4.94 117.35 109.88 1jdu s TYR 150 Ca -0.03 -0.37 0.01 0.00 -1.01 0.00 0.00 57.07 55.67 1jdu s TYR 150 Cb -0.00 -1.00 0.02 0.00 -0.11 0.00 0.00 41.96 40.87 1jdu s TYR 150 CO -0.05 0.62 -0.15 0.08 -1.11 0.00 0.00 175.55 174.94 1jdu s VAL 151 N -2.36 1.48 -0.02 0.71 1.01 -1.26 -0.45 120.40 119.50 1jdu s VAL 151 Ca 0.27 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.63 1jdu s VAL 151 Cb -0.05 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.97 1jdu s VAL 151 CO 0.13 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.28 1jdu n GLY 152 N 4.30 -1.20 3.90 4.51 0.00 -1.13 -4.98 105.19 110.60 1jdu n GLY 152 Ca -0.19 -0.86 -0.28 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.86 6.34 0.08 1.61 0.01 -1.25 -0.65 114.94 118.21 1jdu s ASN 153 Ca 0.00 0.89 0.04 0.00 -0.71 0.00 0.00 52.86 53.08 1jdu s ASN 153 Cb 0.00 -2.23 -0.03 0.00 0.41 0.00 0.00 41.25 39.40 1jdu s ASN 153 CO 0.00 -0.47 -0.12 0.68 -1.51 0.00 0.00 177.10 175.68 1jdu s VAL 154 N -2.55 0.98 -0.19 1.60 -7.23 -0.62 -0.99 120.40 111.41 1jdu s VAL 154 Ca 0.47 -1.42 -0.14 0.00 -1.81 0.00 0.00 61.98 59.08 1jdu s VAL 154 Cb -0.10 -1.14 -0.04 0.00 0.56 0.00 0.00 36.38 35.66 1jdu s VAL 154 CO 0.40 -0.38 0.30 0.12 -0.31 0.00 0.00 175.10 175.22 1jdu s PHE 155 N -1.77 3.41 -0.56 2.82 5.36 -0.73 -0.55 117.98 125.97 1jdu s PHE 155 Ca 0.00 0.53 -0.17 0.00 -0.96 0.00 0.00 56.93 56.33 1jdu s PHE 155 Cb -0.07 -2.37 0.12 0.00 -0.34 0.00 0.00 43.02 40.35 1jdu s PHE 155 CO 0.01 0.14 0.59 -1.12 -1.46 0.00 0.00 175.22 173.39 1jdu s SER 156 N 0.72 6.19 0.35 6.13 0.01 -0.12 -1.82 113.70 125.16 1jdu s SER 156 Ca 0.15 -1.61 -0.19 0.00 1.31 0.00 0.00 55.95 55.62 1jdu s SER 156 Cb -0.13 -2.25 -0.10 0.00 0.21 0.00 0.00 66.02 63.75 1jdu s SER 156 CO 0.05 -0.97 0.83 -0.55 0.41 0.00 0.00 173.24 173.01 1jdu s SER 157 N 3.58 6.92 -0.00 2.44 0.15 0.07 -4.58 113.70 122.28 1jdu s SER 157 Ca 0.07 1.50 0.12 0.00 0.70 0.00 0.00 55.95 58.34 1jdu s SER 157 Cb -0.27 -2.46 -0.13 0.00 -1.71 0.00 0.00 66.02 61.45 1jdu s SER 157 CO 0.05 -0.23 0.51 0.47 1.20 0.00 0.00 173.24 175.24 1jdu n ASP 158 N -0.27 0.60 -3.73 5.45 8.00 -1.26 -4.42 116.55 120.92 1jdu n ASP 158 Ca 0.04 -0.77 -0.29 0.00 0.71 0.00 0.00 54.79 54.47 1jdu n ASP 158 Cb 0.53 1.01 -0.13 0.00 -0.02 0.00 0.00 41.12 42.51 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 -2.16 2.36 0.18 2.24 0.00 -1.26 -4.99 121.76 118.13 1jdu s ALA 159 Ca 0.04 -2.76 -0.15 0.00 0.00 0.00 0.00 51.96 49.10 1jdu s ALA 159 Cb 0.09 -1.92 0.16 0.00 0.00 0.00 0.00 23.12 21.46 1jdu s ALA 159 CO 0.50 -2.06 1.68 0.35 0.00 0.00 0.00 175.76 176.24 1jdu h PHE 160 N 6.50 -0.07 -0.56 0.00 3.57 -2.00 -2.61 116.94 121.76 1jdu h PHE 160 Ca 0.02 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1jdu h PHE 160 Cb 0.91 0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.75 1jdu h PHE 160 CO 0.49 -0.12 0.00 0.66 -2.23 0.00 0.00 178.31 177.11 1jdu n TYR 161 N -5.24 0.82 -2.21 0.41 4.02 -1.26 -4.94 117.16 108.76 1jdu n TYR 161 Ca 0.05 -0.39 -0.39 0.00 -0.01 0.00 0.00 57.90 57.15 1jdu n TYR 161 Cb 0.25 -0.03 -0.02 0.00 -0.02 0.00 0.00 39.34 39.52 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 -1.32 3.29 0.01 -0.72 0.00 -0.99 -4.99 121.76 117.04 1jdu s ALA 162 Ca 0.38 1.10 -0.19 0.00 0.00 0.00 0.00 51.96 53.25 1jdu s ALA 162 Cb 0.21 -3.43 -0.06 0.00 0.00 0.00 0.00 23.12 19.84 1jdu s ALA 162 CO 0.25 -0.60 0.55 -2.00 0.00 0.00 0.00 175.76 173.97 1jdu s GLU 163 N -2.08 4.24 -0.25 0.00 2.12 -1.26 -5.05 118.70 116.42 1jdu s GLU 163 Ca 0.54 0.67 -0.03 0.00 0.36 0.00 0.00 54.97 56.51 1jdu s GLU 163 Cb -0.35 -3.31 0.14 0.00 0.26 0.00 0.00 34.13 30.87 1jdu s GLU 163 CO 0.45 0.46 0.41 0.34 -0.54 0.00 0.00 175.26 176.38 1jdu s ASP 164 N -0.47 0.01 0.38 -1.70 -1.08 -1.26 -5.03 116.67 107.51 1jdu s ASP 164 Ca 0.29 0.34 0.27 0.00 -0.52 0.00 0.00 52.55 52.93 1jdu s ASP 164 Cb -0.18 1.26 1.30 0.00 -1.46 0.00 0.00 42.92 43.85 1jdu s ASP 164 CO 0.17 -0.29 1.82 1.05 0.52 0.00 0.00 175.17 178.44 1jdu h GLU 165 N 8.16 0.00 0.00 4.34 4.11 -2.06 -2.71 114.58 126.41 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 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1jdu h GLU 165 CO 0.27 0.00 -0.02 0.39 0.07 0.00 0.00 179.01 179.72 1jdu n GLU 166 N -2.48 1.69 -0.35 1.06 1.02 -1.26 -4.89 120.64 115.42 1jdu n GLU 166 Ca -0.00 -2.20 -0.10 0.00 -0.02 0.00 0.00 57.16 54.84 1jdu n GLU 166 Cb 0.15 -1.31 -0.09 0.00 -0.02 0.00 0.00 31.44 30.17 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 0.00 -1.70 -0.21 -0.32 3.57 -1.90 -0.48 116.94 115.90 1jdu h PHE 167 Ca 0.00 0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 1jdu h PHE 167 Cb 0.88 0.85 -0.01 0.00 2.79 0.00 0.00 35.95 40.46 1jdu h PHE 167 CO 0.00 -0.35 0.06 0.28 -2.23 0.00 0.00 178.31 176.08 1jdu h VAL 168 N -0.04 1.19 -0.19 1.41 2.07 -1.90 -2.28 116.25 116.52 1jdu h VAL 168 Ca 0.14 -0.62 -0.11 0.00 0.82 0.00 0.00 66.70 66.93 1jdu h VAL 168 Cb 0.39 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1jdu h VAL 168 CO -0.82 0.19 -0.35 0.07 0.02 0.00 0.00 177.57 176.68 1jdu h LYS 169 N 0.16 0.39 0.66 1.57 5.09 -1.89 -1.68 116.57 120.87 1jdu h LYS 169 Ca 0.07 -0.17 -0.03 0.00 0.09 0.00 0.00 60.65 60.60 1jdu h LYS 169 Cb 0.24 -0.01 0.01 0.00 0.10 0.00 0.00 32.23 32.57 1jdu h LYS 169 CO -0.00 0.70 -0.32 -0.22 -2.09 0.00 0.00 179.45 177.52 1jdu h LYS 170 N 0.34 -0.85 -0.34 0.07 3.64 -0.99 -1.99 116.57 116.44 1jdu h LYS 170 Ca 0.04 0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.37 1jdu h LYS 170 Cb 0.78 0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 1jdu h LYS 170 CO 0.06 -0.53 -0.21 -1.49 -2.27 0.00 0.00 179.45 175.01 1jdu h TRP 171 N -1.13 0.73 0.00 1.91 4.06 -1.46 -2.68 115.95 117.37 1jdu h TRP 171 Ca -0.09 -0.15 -0.06 0.00 2.06 0.00 0.00 58.89 60.65 1jdu h TRP 171 Cb 0.71 -0.18 -0.01 0.00 -1.00 0.00 0.00 29.16 28.69 1jdu h TRP 171 CO 0.00 0.81 -0.28 0.66 -3.56 0.00 0.00 178.44 176.07 1jdu h SER 172 N 0.58 0.00 1.05 -3.49 4.64 -1.39 -2.18 113.55 112.76 1jdu h SER 172 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1jdu h SER 172 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1jdu h SER 172 CO 0.05 0.28 -0.11 -1.54 -0.87 0.00 0.00 176.83 174.64 1jdu n SER 173 N -3.29 0.33 -2.05 4.97 3.41 -0.75 -3.20 113.62 113.05 1jdu n SER 173 Ca 0.01 0.39 -0.07 0.00 -0.26 0.00 0.00 58.87 58.94 1jdu n SER 173 Cb 0.54 -0.43 0.30 0.00 -0.26 0.00 0.00 64.21 64.36 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 -1.75 3.69 -1.01 4.33 1.74 -0.98 -4.91 116.66 117.76 1jdu n ARG 174 Ca 0.06 -3.09 -0.01 0.00 -0.77 0.00 0.00 57.85 54.05 1jdu n ARG 174 Cb 0.37 -2.23 -0.00 0.00 -1.02 0.00 0.00 32.46 29.58 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 -0.19 0.47 3.62 -0.13 0.00 -1.19 -5.04 105.19 102.73 1jdu n GLY 175 Ca 0.43 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.38 5.52 0.00 1.61 0.01 -0.86 -3.88 114.94 114.96 1jdu s ASN 176 Ca 0.00 0.06 0.21 0.00 -0.71 0.00 0.00 52.86 52.42 1jdu s ASN 176 Cb 0.00 -1.93 0.21 0.00 0.41 0.00 0.00 41.25 39.94 1jdu s ASN 176 CO 0.00 0.18 1.20 2.30 -1.51 0.00 0.00 177.10 179.27 1jdu n ILE 177 N 3.48 0.10 -3.80 0.60 -5.35 -0.16 -3.79 119.36 110.43 1jdu n ILE 177 Ca -0.17 -0.55 -0.05 0.00 -0.27 0.00 0.00 62.75 61.71 1jdu n ILE 177 Cb 0.52 1.34 -0.01 0.00 -1.74 0.00 0.00 39.64 39.75 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 -1.68 -1.44 -0.02 -1.28 0.00 -1.25 -1.29 121.76 114.81 1jdu s ALA 178 Ca 0.27 -0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.15 1jdu s ALA 178 Cb 0.18 0.73 0.00 0.00 0.00 0.00 0.00 23.12 24.04 1jdu s ALA 178 CO 0.27 -1.04 -0.07 0.54 0.00 0.00 0.00 175.76 175.45 1jdu s VAL 179 N -3.50 0.61 0.00 0.00 0.11 -0.17 -1.77 120.40 115.68 1jdu s VAL 179 Ca 0.12 -0.28 0.00 0.00 -2.93 0.00 0.00 61.98 58.89 1jdu s VAL 179 Cb -0.03 -0.54 0.00 0.00 -1.53 0.00 0.00 36.38 34.28 1jdu s VAL 179 CO 0.05 0.19 0.00 -1.84 -3.33 0.00 0.00 175.10 170.17 1jdu n GLU 180 N 3.19 0.00 0.00 1.54 -0.00 -0.75 -2.45 120.64 122.16 1jdu n GLU 180 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.99 1jdu n GLU 180 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.00 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 1.82 -0.00 3.44 2.81 -1.26 -0.75 117.12 123.18 1jdu n MET 181 Ca 0.00 -0.24 0.00 0.00 -1.81 0.00 0.00 57.70 55.65 1jdu n MET 181 Cb 0.00 -0.71 -0.01 0.00 -0.71 0.00 0.00 33.22 31.80 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 -0.33 0.56 -0.20 0.03 4.71 -1.26 -3.71 120.64 120.44 1jdu n GLU 182 Ca 0.00 -0.01 0.01 0.00 -0.01 0.00 0.00 57.16 57.15 1jdu n GLU 182 Cb 0.03 -1.02 0.10 0.00 -1.01 0.00 0.00 31.44 29.54 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 1.50 0.67 -0.15 0.00 0.00 -1.88 0.15 119.26 119.55 1jdu h ALA 184 Ca 0.31 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 1jdu h ALA 184 Cb 0.48 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1jdu h ALA 184 CO -0.44 -0.20 0.04 1.15 0.00 0.00 0.00 179.25 179.80 1jdu h THR 185 N 0.38 1.20 -0.07 0.00 2.02 -1.84 -0.55 112.91 114.04 1jdu h THR 185 Ca 0.26 -0.62 0.01 0.00 0.77 0.00 0.00 66.41 66.83 1jdu h THR 185 Cb 0.29 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1jdu h THR 185 CO -0.26 0.19 -0.02 0.25 0.37 0.00 0.00 175.52 176.05 1jdu h LEU 186 N 0.06 -0.07 0.39 2.58 5.85 -0.97 0.14 115.31 123.29 1jdu h LEU 186 Ca 0.05 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1jdu h LEU 186 Cb 0.26 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1jdu h LEU 186 CO 0.00 -0.03 -0.19 -0.26 -0.34 0.00 0.00 178.44 177.63 1jdu h PHE 187 N -0.00 -0.48 -0.51 1.25 0.05 -0.68 -1.21 116.94 115.35 1jdu h PHE 187 Ca 0.04 -0.01 -0.03 0.00 3.82 0.00 0.00 57.97 61.78 1jdu h PHE 187 Cb 0.06 0.16 -0.02 0.00 2.00 0.00 0.00 35.95 38.14 1jdu h PHE 187 CO -0.13 -0.21 0.21 1.15 -0.18 0.00 0.00 178.31 179.14 1jdu h THR 188 N -0.68 1.21 -0.62 -1.55 2.02 -1.08 -1.94 112.91 110.27 1jdu h THR 188 Ca -0.05 -0.66 -0.06 0.00 0.77 0.00 0.00 66.41 66.40 1jdu h THR 188 Cb 0.49 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 1jdu h THR 188 CO 0.09 0.25 0.15 0.25 0.37 0.00 0.00 175.52 176.62 1jdu h LEU 189 N 0.69 0.92 -0.38 2.58 5.85 -0.74 -2.83 115.31 121.40 1jdu h LEU 189 Ca 0.17 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1jdu h LEU 189 Cb 0.19 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1jdu h LEU 189 CO -0.01 0.90 0.22 0.28 -0.34 0.00 0.00 178.44 179.48 1jdu h SER 190 N 0.94 0.46 -0.54 1.25 0.02 -0.83 -1.64 113.55 113.20 1jdu h SER 190 Ca 0.20 -0.07 0.02 0.00 -0.84 0.00 0.00 61.79 61.10 1jdu h SER 190 Cb 0.34 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 1jdu h SER 190 CO 0.00 0.39 0.36 0.11 -1.14 0.00 0.00 176.83 176.55 1jdu h LYS 191 N 0.49 0.66 0.01 3.45 1.79 -1.14 0.29 116.57 122.12 1jdu h LYS 191 Ca 0.13 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.56 1jdu h LYS 191 Cb 0.02 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.53 1jdu h LYS 191 CO -0.02 0.43 -0.00 0.28 -1.08 0.00 0.00 179.45 179.06 1jdu h VAL 192 N 0.68 1.49 0.00 0.50 2.07 -1.25 -3.32 116.25 116.42 1jdu h VAL 192 Ca 0.21 -1.51 -0.04 0.00 0.82 0.00 0.00 66.70 66.18 1jdu h VAL 192 Cb -0.00 2.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 1jdu h VAL 192 CO -0.05 0.39 -0.17 0.11 0.02 0.00 0.00 177.57 177.87 1jdu h LYS 193 N -0.66 0.00 0.00 1.57 1.79 -1.17 -3.48 116.57 114.63 1jdu h LYS 193 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1jdu h LYS 193 Cb 0.64 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.29 1jdu h LYS 193 CO 0.00 0.17 0.00 0.41 -1.08 0.00 0.00 179.45 178.95 1jdu n GLY 194 N 0.83 1.04 3.90 3.86 0.00 0.90 -5.08 105.19 110.64 1jdu n GLY 194 Ca 0.02 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 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 3.49 -0.39 1.61 0.51 -0.47 -5.01 118.94 116.68 1jdu s TRP 195 Ca 0.00 0.82 -0.15 0.00 -2.12 0.00 0.00 56.10 54.65 1jdu s TRP 195 Cb 0.00 -2.26 0.01 0.00 -0.81 0.00 0.00 33.47 30.40 1jdu s TRP 195 CO 0.00 -0.04 0.31 0.15 -0.51 0.00 0.00 176.95 176.86 1jdu s LYS 196 N -3.97 3.17 0.28 4.98 1.02 -0.38 -4.53 119.74 120.31 1jdu s LYS 196 Ca 0.47 -0.84 0.06 0.00 0.02 0.00 0.00 55.97 55.68 1jdu s LYS 196 Cb -0.10 -3.92 -0.06 0.00 -0.52 0.00 0.00 37.83 33.23 1jdu s LYS 196 CO 0.34 -0.67 -0.05 -1.12 -0.92 0.00 0.00 175.35 172.94 1jdu s SER 197 N 1.71 2.71 0.13 2.83 0.01 -1.25 -0.04 113.70 119.80 1jdu s SER 197 Ca 0.07 -1.20 -0.26 0.00 1.31 0.00 0.00 55.95 55.87 1jdu s SER 197 Cb -0.18 -0.16 0.07 0.00 0.21 0.00 0.00 66.02 65.96 1jdu s SER 197 CO 0.11 -0.37 0.98 0.00 0.41 0.00 0.00 173.24 174.37 1jdu s ALA 198 N -3.05 -1.70 -0.07 1.44 0.00 -0.75 0.12 121.76 117.75 1jdu s ALA 198 Ca 0.30 0.21 -0.12 0.00 0.00 0.00 0.00 51.96 52.35 1jdu s ALA 198 Cb 0.04 0.61 0.03 0.00 0.00 0.00 0.00 23.12 23.80 1jdu s ALA 198 CO 0.12 -1.02 0.30 0.99 0.00 0.00 0.00 175.76 176.15 1jdu s THR 199 N -3.22 0.03 -0.05 0.00 2.01 -1.26 -1.46 115.64 111.69 1jdu s THR 199 Ca 0.12 -0.25 0.01 0.00 0.31 0.00 0.00 61.69 61.89 1jdu s THR 199 Cb -0.01 -0.52 0.02 0.00 0.01 0.00 0.00 72.50 72.00 1jdu s THR 199 CO 0.01 -0.14 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.05 1jdu s VAL 200 N -0.57 0.69 0.07 3.82 1.01 -0.83 -2.39 120.40 122.20 1jdu s VAL 200 Ca -0.07 -0.23 0.09 0.00 0.00 0.00 0.00 61.98 61.78 1jdu s VAL 200 Cb -0.04 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 1jdu s VAL 200 CO 0.02 0.25 -0.25 -0.76 0.00 0.00 0.00 175.10 174.37 1jdu s LEU 201 N 0.75 2.22 -0.21 3.92 1.43 0.01 -2.81 118.68 123.99 1jdu s LEU 201 Ca -0.12 -0.63 -0.09 0.00 -1.03 0.00 0.00 54.13 52.26 1jdu s LEU 201 Cb -0.14 -1.15 -0.05 0.00 0.03 0.00 0.00 46.19 44.88 1jdu s LEU 201 CO 0.01 0.19 0.12 -0.69 0.23 0.00 0.00 176.35 176.22 1jdu s VAL 202 N -0.91 5.18 -0.36 -1.59 1.01 0.18 -0.79 120.40 123.12 1jdu s VAL 202 Ca 0.11 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.91 1jdu s VAL 202 Cb -0.10 -3.38 -0.00 0.00 0.00 0.00 0.00 36.38 32.90 1jdu s VAL 202 CO 0.03 0.41 1.58 -0.69 0.00 0.00 0.00 175.10 176.44 1jdu s VAL 203 N 0.65 3.72 -1.38 2.92 1.01 -0.56 -1.58 120.40 125.18 1jdu s VAL 203 Ca 0.06 0.74 0.19 0.00 0.00 0.00 0.00 61.98 62.97 1jdu s VAL 203 Cb -0.12 -3.93 -0.08 0.00 0.00 0.00 0.00 36.38 32.24 1jdu s VAL 203 CO 0.01 -0.57 0.88 -1.54 0.00 0.00 0.00 175.10 173.88 1jdu n SER 204 N 9.35 1.42 -3.52 3.32 3.41 -0.32 -0.85 113.62 126.43 1jdu n SER 204 Ca 0.19 -1.21 -0.09 0.00 -0.26 0.00 0.00 58.87 57.50 1jdu n SER 204 Cb 0.47 0.69 -0.02 0.00 -0.26 0.00 0.00 64.21 65.09 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 -2.39 -0.40 -0.19 4.04 2.15 -1.21 -4.85 116.67 113.82 1jdu s ASP 205 Ca 0.12 -0.07 -0.04 0.00 0.43 0.00 0.00 52.55 52.99 1jdu s ASP 205 Cb 0.15 0.48 0.06 0.00 -0.30 0.00 0.00 42.92 43.31 1jdu s ASP 205 CO 0.59 -0.79 0.07 0.21 -0.17 0.00 0.00 175.17 175.08 1jdu s ASN 206 N -2.63 2.67 0.00 -0.34 3.04 -1.26 -1.47 114.94 114.95 1jdu s ASN 206 Ca 0.05 -0.76 0.17 0.00 0.04 0.00 0.00 52.86 52.35 1jdu s ASN 206 Cb -0.01 -0.39 0.77 0.00 -1.54 0.00 0.00 41.25 40.08 1jdu s ASN 206 CO -0.08 -0.34 1.52 0.18 -3.04 0.00 0.00 177.10 175.33 1jdu n LEU 207 N 5.19 0.00 -0.57 3.21 4.77 -0.59 -1.56 117.00 127.45 1jdu n LEU 207 Ca -0.07 0.42 0.13 0.00 -0.03 0.00 0.00 56.01 56.45 1jdu n LEU 207 Cb 0.48 -0.42 0.35 0.00 -2.33 0.00 0.00 43.42 41.50 1jdu n LEU 207 CO 0.11 -0.18 0.72 0.00 -1.33 0.00 0.00 177.39 176.71 1jdu n ALA 208 N -1.42 2.71 -2.74 -1.18 0.00 -1.26 -4.50 120.51 112.13 1jdu n ALA 208 Ca 0.06 -0.52 -0.04 0.00 0.00 0.00 0.00 53.44 52.93 1jdu n ALA 208 Cb 0.17 -1.04 0.02 0.00 0.00 0.00 0.00 19.45 18.61 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 0.32 0.47 -0.10 0.00 5.02 -0.60 -4.68 118.16 118.59 1jdu n LYS 209 Ca 0.16 -1.71 0.00 0.00 -2.02 0.00 0.00 58.31 54.74 1jdu n LYS 209 Cb 0.43 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.32 1jdu n LYS 209 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jdu n GLY 210 N 2.64 1.89 0.44 0.72 0.00 -1.02 -3.97 105.19 105.88 1jdu n GLY 210 Ca 0.15 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.02 1jdu n GLY 210 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jdu n GLY 211 N 0.79 -0.32 3.44 -0.02 0.00 -1.26 -5.02 105.19 102.81 1jdu n GLY 211 Ca 0.00 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 1jdu n GLY 211 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1jdu n ILE 212 N -3.91 0.00 -3.45 -0.61 -5.35 -1.26 -5.04 119.36 99.75 1jdu n ILE 212 Ca -0.27 -0.24 -0.12 0.00 -0.27 0.00 0.00 62.75 61.85 1jdu n ILE 212 Cb 0.62 -0.77 -0.03 0.00 -1.74 0.00 0.00 39.64 37.73 1jdu n ILE 212 CO 0.00 0.00 0.00 -1.66 -1.76 0.00 0.00 176.55 173.13 1jdu s TRP 213 N -2.40 -0.51 0.11 4.28 1.48 -1.26 -4.94 118.94 115.69 1jdu s TRP 213 Ca 0.61 0.41 0.09 0.00 -1.06 0.00 0.00 56.10 56.14 1jdu s TRP 213 Cb -0.20 0.54 -0.04 0.00 -1.16 0.00 0.00 33.47 32.61 1jdu s TRP 213 CO 0.65 -0.75 -0.17 -1.50 -4.06 0.00 0.00 176.95 171.12 1jdu s ILE 214 N -3.28 2.94 0.56 0.66 2.07 -1.26 -5.06 121.20 117.82 1jdu s ILE 214 Ca 0.00 -1.45 -0.09 0.00 -1.41 0.00 0.00 60.65 57.70 1jdu s ILE 214 Cb -0.01 -2.35 -0.04 0.00 0.13 0.00 0.00 42.46 40.19 1jdu s ILE 214 CO -0.09 0.11 0.93 0.42 -1.91 0.00 0.00 174.94 174.40 1jdu s THR 215 N -1.15 4.77 0.13 4.00 -4.23 -1.26 -4.88 115.64 113.02 1jdu s THR 215 Ca 0.18 0.65 -0.31 0.00 -1.18 0.00 0.00 61.69 61.03 1jdu s THR 215 Cb -0.11 -3.85 -0.09 0.00 1.34 0.00 0.00 72.50 69.79 1jdu s THR 215 CO 0.11 -0.99 1.56 0.07 -0.54 0.00 0.00 174.62 174.82 1jdu h LYS 216 N 0.00 -0.47 -0.61 3.99 2.10 -2.00 -0.36 116.57 119.22 1jdu h LYS 216 Ca -0.45 0.03 -0.07 0.00 -2.00 0.00 0.00 60.65 58.16 1jdu h LYS 216 Cb 1.19 0.11 -0.03 0.00 -0.90 0.00 0.00 32.23 32.61 1jdu h LYS 216 CO 0.62 -0.32 0.11 1.05 -2.00 0.00 0.00 179.45 178.91 1jdu h GLU 217 N -0.49 0.98 -0.97 0.07 4.11 -1.98 -1.44 114.58 114.87 1jdu h GLU 217 Ca 0.07 -0.24 0.04 0.00 0.07 0.00 0.00 59.36 59.30 1jdu h GLU 217 Cb 0.64 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.71 1jdu h GLU 217 CO -0.48 0.90 0.63 0.93 0.07 0.00 0.00 179.01 181.06 1jdu h GLU 218 N 0.93 1.17 0.11 1.06 5.08 -1.78 0.17 114.58 121.32 1jdu h GLU 218 Ca 0.19 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1jdu h GLU 218 Cb 0.39 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1jdu h GLU 218 CO 0.01 0.77 -0.05 1.25 -1.00 0.00 0.00 179.01 179.99 1jdu h LEU 219 N 1.20 -0.12 -1.86 1.33 5.85 -0.80 -2.37 115.31 118.55 1jdu h LEU 219 Ca 0.39 -0.45 0.09 0.00 0.84 0.00 0.00 57.88 58.74 1jdu h LEU 219 Cb 0.03 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1jdu h LEU 219 CO -0.12 0.48 0.28 -0.08 -0.34 0.00 0.00 178.44 178.66 1jdu h GLU 220 N -0.82 0.16 -0.31 1.25 4.81 -1.11 0.43 114.58 118.99 1jdu h GLU 220 Ca -0.01 -0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.02 1jdu h GLU 220 Cb 0.57 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 1jdu h GLU 220 CO 0.02 0.10 -0.52 -0.22 -0.73 0.00 0.00 179.01 177.67 1jdu h LYS 221 N 0.16 0.89 0.00 1.92 3.11 -0.69 -1.19 116.57 120.77 1jdu h LYS 221 Ca 0.19 -0.55 -0.05 0.00 -2.81 0.00 0.00 60.65 57.43 1jdu h LYS 221 Cb 0.53 0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 31.81 1jdu h LYS 221 CO -0.03 1.19 -0.24 1.03 -2.81 0.00 0.00 179.45 178.59 1jdu h SER 222 N 0.69 0.00 0.00 4.20 0.87 0.07 -1.86 113.55 117.53 1jdu h SER 222 Ca 0.02 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.54 1jdu h SER 222 Cb 1.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 1jdu h SER 222 CO 0.12 0.24 -0.17 0.58 -0.53 0.00 0.00 176.83 177.07 1jdu h VAL 223 N 0.00 1.60 -0.83 2.23 2.07 -0.02 -3.13 116.25 118.16 1jdu h VAL 223 Ca -0.00 -1.98 0.02 0.00 0.82 0.00 0.00 66.70 65.56 1jdu h VAL 223 Cb 0.63 2.89 -0.05 0.00 -1.52 0.00 0.00 31.29 33.24 1jdu h VAL 223 CO 0.03 0.53 0.55 0.24 0.02 0.00 0.00 177.57 178.94 1jdu h MET 224 N -0.64 1.06 0.35 1.57 2.07 -1.09 -1.47 114.93 116.78 1jdu h MET 224 Ca -0.02 -0.06 -0.01 0.00 -2.07 0.00 0.00 59.70 57.53 1jdu h MET 224 Cb 0.96 -0.24 -0.01 0.00 -1.87 0.00 0.00 31.60 30.45 1jdu h MET 224 CO 0.03 0.70 -0.23 -0.44 1.07 0.00 0.00 176.91 178.04 1jdu h ASP 225 N 1.09 -0.58 -0.78 1.22 5.19 -1.44 -2.68 116.42 118.43 1jdu h ASP 225 Ca 0.32 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.76 1jdu h ASP 225 Cb -0.07 0.18 -0.04 0.00 0.18 0.00 0.00 39.33 39.58 1jdu h ASP 225 CO -0.09 -0.36 0.47 1.23 -3.12 0.00 0.00 179.24 177.37 1jdu h GLY 226 N -0.57 1.14 0.64 2.75 0.00 -1.47 -2.74 103.07 102.83 1jdu h GLY 226 Ca -0.03 -0.48 0.07 0.00 0.00 0.00 0.00 47.33 46.89 1jdu h GLY 226 CO 0.02 0.46 0.46 0.00 0.00 0.00 0.00 176.54 177.48 1jdu h ALA 227 N 1.43 1.08 -0.47 3.60 0.00 -1.05 0.55 119.26 124.40 1jdu h ALA 227 Ca 0.28 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1jdu h ALA 227 Cb -0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1jdu h ALA 227 CO -0.05 0.14 0.24 0.87 0.00 0.00 0.00 179.25 180.45 1jdu h LYS 228 N 0.81 0.66 -0.47 0.00 1.57 -1.18 0.15 116.57 118.11 1jdu h LYS 228 Ca 0.36 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 59.05 1jdu h LYS 228 Cb 0.24 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1jdu h LYS 228 CO -0.20 0.55 0.31 0.00 -0.57 0.00 0.00 179.45 179.53 1jdu h ALA 229 N 1.08 0.60 -0.33 3.86 0.00 -1.19 -0.63 119.26 122.66 1jdu h ALA 229 Ca 0.16 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1jdu h ALA 229 Cb 0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1jdu h ALA 229 CO -0.02 0.04 0.14 0.28 0.00 0.00 0.00 179.25 179.69 1jdu h VAL 230 N 0.63 1.17 0.00 0.00 2.07 -0.48 -2.49 116.25 117.15 1jdu h VAL 230 Ca 0.18 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1jdu h VAL 230 Cb -0.06 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1jdu h VAL 230 CO -0.04 0.18 -0.14 -0.07 0.02 0.00 0.00 177.57 177.52 1jdu h LEU 231 N 0.39 0.00 -0.42 2.57 3.38 -0.43 -1.24 115.31 119.56 1jdu h LEU 231 Ca 0.11 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1jdu h LEU 231 Cb 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1jdu h LEU 231 CO -0.01 0.14 0.02 0.44 0.09 0.00 0.00 178.44 179.12 1jdu h ASP 232 N 0.00 0.70 -0.09 -0.43 3.32 -0.70 -1.96 116.42 117.25 1jdu h ASP 232 Ca -0.00 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 56.75 1jdu h ASP 232 Cb 0.26 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1jdu h ASP 232 CO 0.02 0.82 0.04 0.74 -1.72 0.00 0.00 179.24 179.14 1jdu h THR 233 N 0.56 1.12 0.00 0.35 2.02 -0.90 -1.95 112.91 114.12 1jdu h THR 233 Ca 0.12 -0.37 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 1jdu h THR 233 Cb 0.45 1.20 -0.00 0.00 -1.74 0.00 0.00 68.15 68.05 1jdu h THR 233 CO 0.02 0.11 -0.12 -0.07 0.37 0.00 0.00 175.52 175.82 1jdu h LEU 234 N 0.01 0.00 -3.61 2.58 3.38 -1.21 -2.82 115.31 113.64 1jdu h LEU 234 Ca 0.03 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.62 1jdu h LEU 234 Cb 0.14 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.66 1jdu h LEU 234 CO -0.00 0.12 -0.03 0.35 0.09 0.00 0.00 178.44 178.97 1jdu n THR 235 N -4.19 2.79 0.60 0.22 -2.24 -0.74 -4.93 114.28 105.78 1jdu n THR 235 Ca -0.02 -3.08 0.07 0.00 -2.27 0.00 0.00 64.05 58.75 1jdu n THR 235 Cb 0.20 -0.67 0.06 0.00 -2.10 0.00 0.00 70.33 67.82 1jdu n THR 235 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96