#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jdi n LEU 2 N 0.00 0.12 -0.32 3.17 4.77 -1.26 -5.01 117.00 118.48 1jdi n LEU 2 Ca 0.00 -3.50 0.10 0.00 -0.03 0.00 0.00 56.01 52.58 1jdi n LEU 2 Cb 0.00 0.27 0.20 0.00 -2.33 0.00 0.00 43.42 41.57 1jdi n LEU 2 CO 0.00 1.62 0.67 -0.62 -1.33 0.00 0.00 177.39 177.73 1jdi n GLU 3 N -0.43 -0.08 -0.21 3.23 4.71 -1.26 -0.01 120.64 126.59 1jdi n GLU 3 Ca 0.03 1.39 -0.08 0.00 -0.01 0.00 0.00 57.16 58.48 1jdi n GLU 3 Cb 0.83 -2.14 0.03 0.00 -1.01 0.00 0.00 31.44 29.14 1jdi n GLU 3 CO 0.00 0.00 0.00 0.22 0.09 0.00 0.00 177.13 177.44 1jdi h ASP 4 N 0.00 0.93 -0.53 1.62 1.82 -1.99 -0.50 116.42 117.78 1jdi h ASP 4 Ca 0.50 -0.25 -0.04 0.00 -0.39 0.00 0.00 57.03 56.86 1jdi h ASP 4 Cb 0.92 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 40.66 1jdi h ASP 4 CO -0.89 0.94 0.18 0.25 -1.61 0.00 0.00 179.24 178.11 1jdi h LEU 5 N 0.89 0.76 -1.26 2.28 6.46 -0.86 -1.08 115.31 122.49 1jdi h LEU 5 Ca 0.19 -0.19 0.02 0.00 -0.12 0.00 0.00 57.88 57.77 1jdi h LEU 5 Cb 0.38 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.07 1jdi h LEU 5 CO 0.01 0.75 0.51 0.11 -0.62 0.00 0.00 178.44 179.19 1jdi h LYS 6 N 0.72 0.96 -0.09 1.25 1.57 -0.70 -0.20 116.57 120.09 1jdi h LYS 6 Ca 0.17 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1jdi h LYS 6 Cb 0.25 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 1jdi h LYS 6 CO -0.01 0.64 0.02 -0.09 -0.57 0.00 0.00 179.45 179.44 1jdi h ARG 7 N 0.99 0.15 -0.25 3.15 1.12 -0.44 0.58 114.38 119.69 1jdi h ARG 7 Ca 0.30 -0.03 0.02 0.00 -1.11 0.00 0.00 59.98 59.15 1jdi h ARG 7 Cb -0.03 -0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 29.88 1jdi h ARG 7 CO -0.08 0.32 0.09 1.96 -3.11 0.00 0.00 179.97 179.16 1jdi h GLN 8 N -0.05 0.21 -0.33 0.20 4.20 -0.63 0.01 115.11 118.72 1jdi h GLN 8 Ca 0.03 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 1jdi h GLN 8 Cb 0.24 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 1jdi h GLN 8 CO 0.00 0.14 -0.11 0.28 -0.67 0.00 0.00 178.83 178.46 1jdi h VAL 9 N 0.21 1.24 -0.13 -0.54 2.07 -1.00 -0.01 116.25 118.09 1jdi h VAL 9 Ca 0.11 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 1jdi h VAL 9 Cb 0.06 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1jdi h VAL 9 CO -0.10 0.35 0.03 0.25 0.02 0.00 0.00 177.57 178.12 1jdi h LEU 10 N 0.53 0.20 -0.81 2.57 7.12 -0.35 -1.04 115.31 123.53 1jdi h LEU 10 Ca 0.10 -0.24 -0.05 0.00 0.13 0.00 0.00 57.88 57.82 1jdi h LEU 10 Cb 0.51 -0.05 -0.03 0.00 -0.53 0.00 0.00 40.66 40.56 1jdi h LEU 10 CO 0.03 0.38 0.27 -0.33 -0.13 0.00 0.00 178.44 178.66 1jdi h GLU 11 N 0.01 1.16 -0.21 1.25 5.08 -0.73 -1.16 114.58 119.98 1jdi h GLU 11 Ca 0.04 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1jdi h GLU 11 Cb 0.26 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1jdi h GLU 11 CO 0.00 0.96 0.11 0.00 -1.00 0.00 0.00 179.01 179.08 1jdi h ALA 12 N 1.17 0.26 -0.65 3.43 0.00 -0.85 -0.98 119.26 121.64 1jdi h ALA 12 Ca 0.25 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1jdi h ALA 12 Cb 0.26 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1jdi h ALA 12 CO -0.01 -0.21 0.43 -0.91 0.00 0.00 0.00 179.25 178.55 1jdi h ASN 13 N 0.23 0.73 0.35 0.00 2.35 -0.94 -1.32 115.58 116.98 1jdi h ASN 13 Ca 0.07 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 1jdi h ASN 13 Cb 0.07 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.26 1jdi h ASN 13 CO -0.01 0.52 -0.08 -0.07 -1.65 0.00 0.00 177.43 176.14 1jdi h LEU 14 N 0.86 0.00 -0.78 1.61 4.07 -0.88 -2.19 115.31 118.00 1jdi h LEU 14 Ca 0.25 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 58.10 1jdi h LEU 14 Cb -0.07 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.66 1jdi h LEU 14 CO -0.07 0.08 -0.49 0.00 -1.08 0.00 0.00 178.44 176.88 1jdi h ALA 15 N 1.92 0.94 -0.14 1.53 0.00 0.01 -3.30 119.26 120.23 1jdi h ALA 15 Ca -0.00 -0.45 0.05 0.00 0.00 0.00 0.00 54.91 54.51 1jdi h ALA 15 Cb 0.28 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 1jdi h ALA 15 CO 0.01 0.62 -0.25 -0.07 0.00 0.00 0.00 179.25 179.56 1jdi h LEU 16 N 0.00 -0.77 -0.90 0.00 4.07 -1.27 -1.36 115.31 115.08 1jdi h LEU 16 Ca -0.00 0.12 -0.12 0.00 0.08 0.00 0.00 57.88 57.96 1jdi h LEU 16 Cb 1.03 0.34 -0.01 0.00 1.08 0.00 0.00 40.66 43.10 1jdi h LEU 16 CO 0.06 -0.30 -0.48 1.55 -1.08 0.00 0.00 178.44 178.19 1jdi h PRO 17 N -0.31 0.16 -0.57 1.13 0.13 -1.74 -1.29 132.00 129.51 1jdi h PRO 17 Ca 0.10 -0.09 -0.01 0.00 -0.87 0.00 0.00 66.00 65.13 1jdi h PRO 17 Cb 0.47 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.57 1jdi h PRO 17 CO -0.32 0.61 0.31 0.87 -0.23 0.00 0.00 178.00 179.24 1jdi h LYS 18 N 0.13 0.79 -0.65 0.86 1.57 -1.51 -1.68 116.57 116.08 1jdi h LYS 18 Ca 0.01 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1jdi h LYS 18 Cb 0.91 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1jdi h LYS 18 CO 0.07 0.59 0.00 0.72 -0.57 0.00 0.00 179.45 180.26 1jdi n HIS 19 N -4.39 1.55 -4.00 -1.35 8.25 -0.56 -4.93 115.22 109.80 1jdi n HIS 19 Ca 0.05 -0.56 -0.31 0.00 -0.26 0.00 0.00 57.72 56.64 1jdi n HIS 19 Cb 0.10 -0.37 0.01 0.00 1.12 0.00 0.00 29.99 30.85 1jdi n HIS 19 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1jdi n ASN 20 N 0.63 -3.82 -0.17 0.41 3.02 -0.63 -4.83 115.26 109.88 1jdi n ASN 20 Ca 0.22 -0.87 0.11 0.00 -0.03 0.00 0.00 54.58 54.01 1jdi n ASN 20 Cb 0.94 -3.49 0.07 0.00 -0.61 0.00 0.00 39.78 36.69 1jdi n ASN 20 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1jdi n LEU 21 N -4.55 1.16 -3.94 3.41 4.77 -0.50 -4.83 117.00 112.52 1jdi n LEU 21 Ca 0.01 -0.42 -0.09 0.00 -0.03 0.00 0.00 56.01 55.48 1jdi n LEU 21 Cb 0.53 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.51 1jdi n LEU 21 CO 0.78 0.25 0.25 0.54 -1.33 0.00 0.00 177.39 177.88 1jdi s VAL 22 N -2.79 0.00 0.14 4.08 0.11 -1.24 -2.70 120.40 118.01 1jdi s VAL 22 Ca 0.14 -1.25 -0.00 0.00 -2.93 0.00 0.00 61.98 57.94 1jdi s VAL 22 Cb 0.17 -2.08 -0.04 0.00 -1.53 0.00 0.00 36.38 32.90 1jdi s VAL 22 CO 0.70 -0.02 0.04 -0.89 -3.33 0.00 0.00 175.10 171.60 1jdi s THR 23 N -3.98 0.26 0.00 5.04 2.01 -1.26 -4.71 115.64 113.00 1jdi s THR 23 Ca 0.18 -1.93 0.00 0.00 0.31 0.00 0.00 61.69 60.25 1jdi s THR 23 Cb -0.02 -2.07 0.00 0.00 0.01 0.00 0.00 72.50 70.42 1jdi s THR 23 CO 0.07 -0.46 0.00 0.18 -0.69 0.00 0.00 174.62 173.72 1jdi n LEU 24 N -0.14 0.00 -0.73 4.42 4.77 -1.26 -1.71 117.00 122.35 1jdi n LEU 24 Ca -0.06 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 55.99 1jdi n LEU 24 Cb 0.64 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.92 1jdi n LEU 24 CO 0.32 0.00 0.66 0.35 -1.33 0.00 0.00 177.39 177.39 1jdi n THR 25 N 0.00 1.59 -1.02 -5.08 -2.24 -1.26 -4.79 114.28 101.49 1jdi n THR 25 Ca 0.00 -1.41 -0.30 0.00 -2.27 0.00 0.00 64.05 60.07 1jdi n THR 25 Cb 0.00 0.15 0.16 0.00 -2.10 0.00 0.00 70.33 68.54 1jdi n THR 25 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1jdi s TRP 26 N -1.84 2.05 0.00 4.78 0.51 -0.70 -4.89 118.94 118.84 1jdi s TRP 26 Ca 0.31 1.33 0.00 0.00 -2.12 0.00 0.00 56.10 55.62 1jdi s TRP 26 Cb 0.22 -3.18 0.00 0.00 -0.81 0.00 0.00 33.47 29.70 1jdi s TRP 26 CO 0.12 -2.71 0.00 0.41 -0.51 0.00 0.00 176.95 174.26 1jdi n GLY 27 N -0.60 -1.42 3.64 0.98 0.00 -1.26 -4.70 105.19 101.83 1jdi n GLY 27 Ca 0.07 -1.56 -0.06 0.00 0.00 0.00 0.00 46.02 44.46 1jdi n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jdi s ASN 28 N -3.02 -0.27 0.06 1.61 2.20 0.39 -4.98 114.94 110.92 1jdi s ASN 28 Ca 0.00 0.50 0.08 0.00 -0.94 0.00 0.00 52.86 52.49 1jdi s ASN 28 Cb 0.00 0.50 -0.03 0.00 -2.00 0.00 0.00 41.25 39.72 1jdi s ASN 28 CO 0.00 -0.11 -0.21 -0.69 -2.94 0.00 0.00 177.10 173.15 1jdi s VAL 29 N -0.01 1.74 0.04 3.54 1.01 -1.26 -0.94 120.40 124.52 1jdi s VAL 29 Ca 0.05 -1.31 -0.05 0.00 0.00 0.00 0.00 61.98 60.67 1jdi s VAL 29 Cb -0.04 -1.52 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 1jdi s VAL 29 CO -0.09 0.16 0.08 -0.94 0.00 0.00 0.00 175.10 174.31 1jdi s SER 30 N -1.36 0.21 0.02 3.32 1.04 -0.28 -2.32 113.70 114.34 1jdi s SER 30 Ca 0.08 -0.60 0.02 0.00 0.48 0.00 0.00 55.95 55.93 1jdi s SER 30 Cb -0.09 0.23 -0.02 0.00 0.10 0.00 0.00 66.02 66.24 1jdi s SER 30 CO 0.02 -0.53 -0.06 0.00 0.98 0.00 0.00 173.24 173.65 1jdi s ALA 31 N -2.82 0.47 0.31 5.32 0.00 -0.46 -0.55 121.76 124.03 1jdi s ALA 31 Ca -0.03 -0.53 0.07 0.00 0.00 0.00 0.00 51.96 51.47 1jdi s ALA 31 Cb 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 1jdi s ALA 31 CO -0.06 0.02 0.31 0.54 0.00 0.00 0.00 175.76 176.57 1jdi s VAL 32 N -0.87 3.93 -0.40 0.00 0.11 -0.11 -0.82 120.40 122.25 1jdi s VAL 32 Ca -0.06 -1.29 0.02 0.00 -2.93 0.00 0.00 61.98 57.72 1jdi s VAL 32 Cb -0.07 -3.31 0.15 0.00 -1.53 0.00 0.00 36.38 31.62 1jdi s VAL 32 CO 0.00 -0.22 0.27 -0.62 -3.33 0.00 0.00 175.10 171.20 1jdi s ASP 33 N -3.99 2.60 0.17 3.54 3.68 0.04 -4.96 116.67 117.75 1jdi s ASP 33 Ca 0.39 -2.62 -0.17 0.00 2.13 0.00 0.00 52.55 52.29 1jdi s ASP 33 Cb -0.07 -0.55 0.11 0.00 -1.45 0.00 0.00 42.92 40.97 1jdi s ASP 33 CO 0.27 -0.25 1.66 0.03 0.13 0.00 0.00 175.17 177.01 1jdi h ARG 34 N 6.44 -0.03 -0.77 4.34 -0.00 -1.97 -1.11 114.38 121.28 1jdi h ARG 34 Ca 0.13 0.00 0.13 0.00 -0.50 0.00 0.00 59.98 59.73 1jdi h ARG 34 Cb 0.93 0.01 -0.09 0.00 0.00 0.00 0.00 29.97 30.82 1jdi h ARG 34 CO 0.35 -0.02 0.36 0.93 0.00 0.00 0.00 179.97 181.59 1jdi h GLU 35 N -0.03 0.54 -0.00 0.04 5.08 -1.95 0.25 114.58 118.50 1jdi h GLU 35 Ca 0.21 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1jdi h GLU 35 Cb 0.34 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1jdi h GLU 35 CO -0.46 0.35 -0.05 0.54 -1.00 0.00 0.00 179.01 178.40 1jdi n ARG 36 N -4.91 0.55 -3.62 2.33 5.12 -0.91 -4.92 116.66 110.28 1jdi n ARG 36 Ca 0.14 -0.09 -0.21 0.00 -1.93 0.00 0.00 57.85 55.76 1jdi n ARG 36 Cb 0.37 -1.50 0.06 0.00 -1.16 0.00 0.00 32.46 30.23 1jdi n ARG 36 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jdi n GLY 37 N 1.27 -0.36 3.33 -0.13 0.00 0.88 -4.99 105.19 105.19 1jdi n GLY 37 Ca 0.15 0.14 -0.10 0.00 0.00 0.00 0.00 46.02 46.20 1jdi n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jdi s VAL 38 N -3.49 0.06 0.03 1.61 0.11 -1.03 -2.72 120.40 114.97 1jdi s VAL 38 Ca 0.13 -0.57 0.01 0.00 -2.93 0.00 0.00 61.98 58.63 1jdi s VAL 38 Cb -0.06 -1.19 -0.02 0.00 -1.53 0.00 0.00 36.38 33.58 1jdi s VAL 38 CO 0.78 -0.29 -0.05 0.72 -3.33 0.00 0.00 175.10 172.92 1jdi s PHE 39 N -3.81 0.46 -0.17 1.54 -0.71 -0.21 -0.78 117.98 114.31 1jdi s PHE 39 Ca 0.03 -0.48 -0.06 0.00 -1.04 0.00 0.00 56.93 55.38 1jdi s PHE 39 Cb 0.02 -0.29 -0.04 0.00 -1.21 0.00 0.00 43.02 41.49 1jdi s PHE 39 CO -0.12 -0.12 0.04 0.08 -1.34 0.00 0.00 175.22 173.76 1jdi s VAL 40 N -1.32 4.62 0.07 -2.49 1.01 0.00 -0.52 120.40 121.77 1jdi s VAL 40 Ca -0.12 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 61.78 1jdi s VAL 40 Cb -0.09 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 1jdi s VAL 40 CO -0.00 0.48 -0.06 -0.51 0.00 0.00 0.00 175.10 175.00 1jdi s ILE 41 N 0.25 0.57 0.54 2.22 2.07 -0.22 -1.36 121.20 125.26 1jdi s ILE 41 Ca 0.03 -1.60 -0.21 0.00 -1.41 0.00 0.00 60.65 57.46 1jdi s ILE 41 Cb -0.13 -1.26 -0.07 0.00 0.13 0.00 0.00 42.46 41.14 1jdi s ILE 41 CO 0.01 -0.71 1.01 1.17 -1.91 0.00 0.00 174.94 174.50 1jdi n LYS 42 N 0.53 1.13 -2.43 3.50 4.81 -0.98 -1.72 118.16 123.00 1jdi n LYS 42 Ca -0.16 0.42 -0.29 0.00 -0.87 0.00 0.00 58.31 57.41 1jdi n LYS 42 Cb 0.59 -2.16 -0.00 0.00 0.02 0.00 0.00 35.03 33.47 1jdi n LYS 42 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1jdi s PRO 43 N -2.51 3.61 -0.04 1.64 0.04 -1.26 -1.52 135.00 134.96 1jdi s PRO 43 Ca 0.71 0.43 -0.16 0.00 0.04 0.00 0.00 61.00 62.02 1jdi s PRO 43 Cb -0.46 -2.28 -0.05 0.00 0.04 0.00 0.00 34.50 31.75 1jdi s PRO 43 CO 0.51 -0.29 0.44 0.45 0.04 0.00 0.00 177.00 178.14 1jdi s SER 44 N -3.95 6.78 0.00 6.66 0.15 0.17 -4.40 113.70 119.11 1jdi s SER 44 Ca 0.51 0.93 0.00 0.00 0.70 0.00 0.00 55.95 58.08 1jdi s SER 44 Cb -0.10 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 61.94 1jdi s SER 44 CO 0.45 0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.72 1jdi n GLY 45 N 2.31 0.53 2.84 9.45 0.00 -1.26 -4.59 105.19 114.47 1jdi n GLY 45 Ca -0.12 -0.83 -0.22 0.00 0.00 0.00 0.00 46.02 44.86 1jdi n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jdi s VAL 46 N -2.25 0.50 0.52 1.61 1.01 -1.26 -5.13 120.40 115.39 1jdi s VAL 46 Ca 0.00 -0.02 -0.22 0.00 0.00 0.00 0.00 61.98 61.74 1jdi s VAL 46 Cb 0.00 -0.58 -0.06 0.00 0.00 0.00 0.00 36.38 35.74 1jdi s VAL 46 CO 0.00 0.25 1.25 -1.81 0.00 0.00 0.00 175.10 174.80 1jdi s ASP 47 N 1.47 5.64 0.46 3.32 1.01 -1.26 -4.86 116.67 122.44 1jdi s ASP 47 Ca -0.02 2.51 0.12 0.00 0.71 0.00 0.00 52.55 55.87 1jdi s ASP 47 Cb -0.13 -2.62 1.04 0.00 1.01 0.00 0.00 42.92 42.22 1jdi s ASP 47 CO -0.03 -1.30 2.08 1.88 0.21 0.00 0.00 175.17 178.02 1jdi h TYR 48 N 1.62 0.24 0.00 4.23 0.05 -1.97 -1.81 116.97 119.33 1jdi h TYR 48 Ca -0.50 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.28 1jdi h TYR 48 Cb 1.28 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 38.94 1jdi h TYR 48 CO 0.49 0.18 0.00 -1.13 -1.05 0.00 0.00 178.16 176.65 1jdi n SER 49 N -4.48 0.00 0.00 3.88 3.41 -1.26 -3.25 113.62 111.92 1jdi n SER 49 Ca -0.00 -0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 1jdi n SER 49 Cb 0.10 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 1jdi n SER 49 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1jdi n ILE 50 N -1.26 0.00 -1.64 -1.33 2.08 -0.83 -5.06 119.36 111.32 1jdi n ILE 50 Ca 0.12 -0.07 -0.47 0.00 0.56 0.00 0.00 62.75 62.89 1jdi n ILE 50 Cb 0.17 0.56 -0.04 0.00 -0.75 0.00 0.00 39.64 39.59 1jdi n ILE 50 CO 0.00 0.00 0.00 0.80 0.56 0.00 0.00 176.55 177.91 1jdi n MET 51 N -1.40 1.76 -4.30 0.38 1.56 -0.74 -5.01 117.12 109.37 1jdi n MET 51 Ca 0.00 0.63 -0.16 0.00 -0.27 0.00 0.00 57.70 57.90 1jdi n MET 51 Cb 0.00 -2.27 -0.10 0.00 2.15 0.00 0.00 33.22 33.00 1jdi n MET 51 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 1jdi s THR 52 N 0.17 1.42 0.57 1.12 -4.23 -1.26 -5.04 115.64 108.39 1jdi s THR 52 Ca 0.73 -2.13 0.28 0.00 -1.18 0.00 0.00 61.69 59.39 1jdi s THR 52 Cb -0.74 -1.95 0.39 0.00 1.34 0.00 0.00 72.50 71.54 1jdi s THR 52 CO 0.47 -0.67 1.97 0.00 -0.54 0.00 0.00 174.62 175.85 1jdi h ALA 53 N 2.67 2.27 0.00 3.99 0.00 -1.95 0.69 119.26 126.93 1jdi h ALA 53 Ca -0.37 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 1jdi h ALA 53 Cb 1.21 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1jdi h ALA 53 CO 0.63 -0.65 -0.39 -0.44 0.00 0.00 0.00 179.25 178.40 1jdi h ASP 54 N 0.00 0.00 0.86 0.00 5.19 -1.96 -2.94 116.42 117.57 1jdi h ASP 54 Ca 0.22 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.62 1jdi h ASP 54 Cb 1.04 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.55 1jdi h ASP 54 CO -0.00 0.39 -0.07 0.44 -3.12 0.00 0.00 179.24 176.88 1jdi h ASP 55 N 0.00 0.00 -4.07 6.45 3.45 -1.26 -3.43 116.42 117.56 1jdi h ASP 55 Ca -0.00 0.00 -0.55 0.00 0.43 0.00 0.00 57.03 56.90 1jdi h ASP 55 Cb 0.81 0.00 0.14 0.00 -0.56 0.00 0.00 39.33 39.72 1jdi h ASP 55 CO 0.05 0.07 0.58 -0.04 -1.57 0.00 0.00 179.24 178.33 1jdi s MET 56 N -3.75 2.98 -0.06 3.56 -1.94 -1.11 -4.28 119.30 114.69 1jdi s MET 56 Ca 0.00 2.18 0.03 0.00 -1.71 0.00 0.00 55.69 56.18 1jdi s MET 56 Cb 0.10 -2.14 -0.03 0.00 2.01 0.00 0.00 34.83 34.77 1jdi s MET 56 CO 0.56 -1.30 -0.12 0.08 -0.01 0.00 0.00 175.02 174.24 1jdi s VAL 57 N -1.34 3.26 -0.23 -6.03 1.01 -0.70 -4.72 120.40 111.65 1jdi s VAL 57 Ca 0.75 -0.64 -0.11 0.00 0.00 0.00 0.00 61.98 61.98 1jdi s VAL 57 Cb -0.39 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.64 1jdi s VAL 57 CO 0.45 0.59 0.16 -0.69 0.00 0.00 0.00 175.10 175.61 1jdi s VAL 58 N -0.69 5.37 0.01 2.92 1.01 0.06 -1.06 120.40 128.02 1jdi s VAL 58 Ca 0.10 0.20 0.06 0.00 0.00 0.00 0.00 61.98 62.34 1jdi s VAL 58 Cb -0.11 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 1jdi s VAL 58 CO 0.01 0.36 -0.17 -0.69 0.00 0.00 0.00 175.10 174.61 1jdi s VAL 59 N 0.91 1.37 0.00 2.92 1.01 0.32 -0.30 120.40 126.62 1jdi s VAL 59 Ca 0.08 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.86 1jdi s VAL 59 Cb -0.13 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 35.03 1jdi s VAL 59 CO 0.03 0.26 1.28 -0.55 0.00 0.00 0.00 175.10 176.11 1jdi s SER 60 N -0.75 6.98 0.18 3.32 0.15 0.57 -1.04 113.70 123.12 1jdi s SER 60 Ca 0.06 1.99 -0.11 0.00 0.70 0.00 0.00 55.95 58.59 1jdi s SER 60 Cb -0.07 -2.57 0.09 0.00 -1.71 0.00 0.00 66.02 61.77 1jdi s SER 60 CO 0.00 -0.60 1.74 0.40 1.20 0.00 0.00 173.24 175.98 1jdi h ILE 61 N 4.81 1.24 -0.12 6.45 2.04 -1.85 0.54 117.51 130.62 1jdi h ILE 61 Ca -0.38 -0.74 -0.11 0.00 1.00 0.00 0.00 64.86 64.64 1jdi h ILE 61 Cb 1.18 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1jdi h ILE 61 CO 0.87 0.29 -0.34 -0.08 0.00 0.00 0.00 178.15 178.89 1jdi h GLU 62 N 0.91 0.43 0.00 2.37 4.81 -1.92 -3.37 114.58 117.81 1jdi h GLU 62 Ca 0.21 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1jdi h GLU 62 Cb 0.20 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1jdi h GLU 62 CO -0.02 0.93 -1.12 0.25 -0.73 0.00 0.00 179.01 178.33 1jdi n THR 63 N -4.37 0.00 -1.19 0.32 -2.24 -1.22 -4.97 114.28 100.61 1jdi n THR 63 Ca -0.07 -0.20 -0.06 0.00 -2.27 0.00 0.00 64.05 61.44 1jdi n THR 63 Cb 0.50 0.71 -0.03 0.00 -2.10 0.00 0.00 70.33 69.41 1jdi n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jdi n GLY 64 N 1.44 0.80 3.86 3.38 0.00 0.19 -4.98 105.19 109.88 1jdi n GLY 64 Ca 0.01 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 1jdi n GLY 64 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jdi s GLU 65 N -2.15 3.83 -0.21 1.61 2.56 -1.25 -4.73 118.70 118.35 1jdi s GLU 65 Ca 0.00 0.28 -0.29 0.00 0.00 0.00 0.00 54.97 54.96 1jdi s GLU 65 Cb 0.00 -2.86 -0.01 0.00 2.00 0.00 0.00 34.13 33.25 1jdi s GLU 65 CO 0.00 0.46 1.36 0.54 -0.56 0.00 0.00 175.26 177.05 1jdi s VAL 66 N -1.56 4.09 0.03 3.70 0.11 -1.26 -0.31 120.40 125.19 1jdi s VAL 66 Ca 0.39 1.27 0.08 0.00 -2.93 0.00 0.00 61.98 60.79 1jdi s VAL 66 Cb -0.13 -3.97 -0.23 0.00 -1.53 0.00 0.00 36.38 30.52 1jdi s VAL 66 CO 0.20 -0.28 0.95 0.58 -3.33 0.00 0.00 175.10 173.22 1jdi h VAL 67 N 5.77 1.25 -1.85 2.04 2.07 -1.00 -3.48 116.25 121.06 1jdi h VAL 67 Ca -0.28 -3.01 -0.00 0.00 0.82 0.00 0.00 66.70 64.22 1jdi h VAL 67 Cb 1.11 2.65 -0.23 0.00 -1.52 0.00 0.00 31.29 33.31 1jdi h VAL 67 CO 1.00 0.75 0.26 -0.70 0.02 0.00 0.00 177.57 178.89 1jdi s GLU 68 N -2.65 0.73 0.00 1.57 2.12 -1.16 -5.00 118.70 114.31 1jdi s GLU 68 Ca -0.03 0.77 0.00 0.00 0.36 0.00 0.00 54.97 56.07 1jdi s GLU 68 Cb 0.09 0.36 0.00 0.00 0.26 0.00 0.00 34.13 34.83 1jdi s GLU 68 CO 0.83 -0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.85 1jdi n GLY 69 N 2.30 4.60 0.15 -1.50 0.00 -1.26 -0.76 105.19 108.72 1jdi n GLY 69 Ca -0.14 -0.91 0.07 0.00 0.00 0.00 0.00 46.02 45.04 1jdi n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jdi h ALA 70 N 0.00 0.73 -2.00 4.61 0.00 -1.87 -3.47 119.26 117.27 1jdi h ALA 70 Ca 0.00 -0.30 -0.45 0.00 0.00 0.00 0.00 54.91 54.16 1jdi h ALA 70 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1jdi h ALA 70 CO 0.00 0.37 -0.33 0.15 0.00 0.00 0.00 179.25 179.44 1jdi s LYS 71 N -3.10 3.25 0.15 0.00 -0.14 -1.26 -5.09 119.74 113.55 1jdi s LYS 71 Ca 0.03 -0.81 -0.30 0.00 -1.36 0.00 0.00 55.97 53.53 1jdi s LYS 71 Cb 0.07 -2.80 -0.07 0.00 -1.68 0.00 0.00 37.83 33.36 1jdi s LYS 71 CO 0.74 0.15 0.98 0.21 -0.76 0.00 0.00 175.35 176.68 1jdi s LYS 72 N -4.17 4.71 0.83 1.68 2.20 -1.26 -4.90 119.74 118.82 1jdi s LYS 72 Ca 0.41 1.51 -0.11 0.00 -0.36 0.00 0.00 55.97 57.43 1jdi s LYS 72 Cb -0.09 -3.34 0.09 0.00 -1.51 0.00 0.00 37.83 32.98 1jdi s LYS 72 CO 0.32 0.25 1.09 -1.25 -0.36 0.00 0.00 175.35 175.40 1jdi s PRO 73 N -0.31 1.79 0.39 4.03 0.04 -1.26 0.43 135.00 140.12 1jdi s PRO 73 Ca 0.46 1.05 -0.26 0.00 0.04 0.00 0.00 61.00 62.30 1jdi s PRO 73 Cb -0.25 -1.85 -0.11 0.00 0.04 0.00 0.00 34.50 32.33 1jdi s PRO 73 CO 0.31 -1.93 1.12 0.45 0.04 0.00 0.00 177.00 176.99 1jdi n SER 74 N -3.70 1.86 0.04 6.66 2.88 -0.58 -3.91 113.62 116.87 1jdi n SER 74 Ca 0.08 1.10 0.05 0.00 -1.33 0.00 0.00 58.87 58.77 1jdi n SER 74 Cb 0.54 -1.40 0.22 0.00 -0.75 0.00 0.00 64.21 62.81 1jdi n SER 74 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1jdi n SER 75 N 0.58 0.16 -0.60 -3.46 3.41 -1.26 -0.88 113.62 111.57 1jdi n SER 75 Ca 0.08 0.56 0.13 0.00 -0.26 0.00 0.00 58.87 59.38 1jdi n SER 75 Cb 0.38 -0.59 0.41 0.00 -0.26 0.00 0.00 64.21 64.15 1jdi n SER 75 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1jdi n ASP 76 N -1.70 1.85 -0.27 4.04 10.43 -1.26 -4.50 116.55 125.13 1jdi n ASP 76 Ca 0.01 -1.65 0.09 0.00 2.57 0.00 0.00 54.79 55.80 1jdi n ASP 76 Cb 0.06 -0.05 0.23 0.00 1.84 0.00 0.00 41.12 43.21 1jdi n ASP 76 CO 0.00 0.00 0.00 0.74 -1.07 0.00 0.00 177.20 176.87 1jdi h THR 77 N 2.73 0.40 -1.00 -3.53 2.02 -1.35 -0.97 112.91 111.21 1jdi h THR 77 Ca 0.00 -0.08 0.06 0.00 0.77 0.00 0.00 66.41 67.16 1jdi h THR 77 Cb 0.59 0.16 -0.07 0.00 -1.74 0.00 0.00 68.15 67.09 1jdi h THR 77 CO 0.00 0.04 0.65 -0.65 0.37 0.00 0.00 175.52 175.93 1jdi h PRO 78 N 0.23 1.15 -0.53 6.66 0.11 -1.84 0.57 132.00 138.34 1jdi h PRO 78 Ca 0.48 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 66.47 1jdi h PRO 78 Cb 0.89 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 31.72 1jdi h PRO 78 CO -0.60 0.76 0.15 1.15 -0.21 0.00 0.00 178.00 179.25 1jdi h THR 79 N 1.18 1.24 0.22 -1.15 2.02 -1.23 -0.76 112.91 114.45 1jdi h THR 79 Ca 0.43 -0.82 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 1jdi h THR 79 Cb 0.15 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1jdi h THR 79 CO -0.17 0.30 -0.11 0.45 0.37 0.00 0.00 175.52 176.37 1jdi h HIS 80 N 0.74 -0.28 -0.16 3.16 3.86 -1.03 -1.84 115.15 119.59 1jdi h HIS 80 Ca 0.17 -0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.42 1jdi h HIS 80 Cb 0.31 0.09 -0.05 0.00 1.06 0.00 0.00 27.41 28.82 1jdi h HIS 80 CO 0.02 -0.14 -0.16 -0.09 0.86 0.00 0.00 177.93 178.42 1jdi h ARG 81 N -0.35 -0.18 -0.54 2.45 2.43 -0.75 -0.29 114.38 117.15 1jdi h ARG 81 Ca -0.03 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.24 1jdi h ARG 81 Cb 0.27 0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.79 1jdi h ARG 81 CO 0.05 -0.12 0.14 1.25 -1.51 0.00 0.00 179.97 179.78 1jdi h LEU 82 N -0.19 0.07 -0.79 3.80 7.12 -1.06 -1.25 115.31 123.01 1jdi h LEU 82 Ca 0.11 0.09 -0.02 0.00 0.13 0.00 0.00 57.88 58.19 1jdi h LEU 82 Cb 0.35 0.11 -0.04 0.00 -0.53 0.00 0.00 40.66 40.54 1jdi h LEU 82 CO -0.27 0.06 0.43 -0.07 -0.13 0.00 0.00 178.44 178.46 1jdi h LEU 83 N 0.29 0.99 -0.80 2.25 3.38 -0.57 0.92 115.31 121.76 1jdi h LEU 83 Ca 0.27 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1jdi h LEU 83 Cb 0.36 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1jdi h LEU 83 CO -0.33 0.80 0.38 1.88 0.09 0.00 0.00 178.44 181.26 1jdi h TYR 84 N 1.09 1.16 -0.28 1.13 0.05 -0.21 0.73 116.97 120.66 1jdi h TYR 84 Ca 0.28 -0.06 -0.05 0.00 0.05 0.00 0.00 58.73 58.95 1jdi h TYR 84 Cb 0.03 -0.36 -0.01 0.00 1.01 0.00 0.00 36.73 37.41 1jdi h TYR 84 CO 0.00 0.85 -0.02 1.96 -1.05 0.00 0.00 178.16 179.90 1jdi h GLN 85 N 1.14 0.50 -0.21 4.88 4.20 -0.67 -3.28 115.11 121.66 1jdi h GLN 85 Ca 0.27 -0.17 -0.17 0.00 0.06 0.00 0.00 58.65 58.65 1jdi h GLN 85 Cb 0.13 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 1jdi h GLN 85 CO -0.03 0.67 -0.56 0.00 -0.67 0.00 0.00 178.83 178.24 1jdi h ALA 86 N 0.81 0.62 -3.22 3.87 0.00 -0.63 -3.40 119.26 117.31 1jdi h ALA 86 Ca 0.08 -0.52 -0.69 0.00 0.00 0.00 0.00 54.91 53.78 1jdi h ALA 86 Cb 0.46 -0.08 -0.36 0.00 0.00 0.00 0.00 17.79 17.81 1jdi h ALA 86 CO 0.02 0.69 -0.53 -0.06 0.00 0.00 0.00 179.25 179.37 1jdi s PHE 87 N -4.02 3.54 0.35 0.00 0.08 0.23 -4.97 117.98 113.19 1jdi s PHE 87 Ca -0.08 -2.60 0.05 0.00 0.12 0.00 0.00 56.93 54.42 1jdi s PHE 87 Cb 0.11 -3.17 0.70 0.00 -0.57 0.00 0.00 43.02 40.09 1jdi s PHE 87 CO 0.86 -0.93 1.95 -1.35 -0.10 0.00 0.00 175.22 175.65 1jdi h PRO 88 N 7.67 0.78 -0.06 0.24 0.11 -1.78 -3.05 132.00 135.91 1jdi h PRO 88 Ca -0.09 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.91 1jdi h PRO 88 Cb 1.01 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 1jdi h PRO 88 CO 0.68 0.52 -0.28 0.66 -0.21 0.00 0.00 178.00 179.37 1jdi h SER 89 N 0.81 0.10 -3.93 -2.05 4.64 -1.93 -3.45 113.55 107.73 1jdi h SER 89 Ca 0.33 -0.03 -0.51 0.00 -0.47 0.00 0.00 61.79 61.11 1jdi h SER 89 Cb 0.26 -0.03 0.05 0.00 -0.31 0.00 0.00 62.40 62.37 1jdi h SER 89 CO -0.11 0.38 0.52 0.27 -0.87 0.00 0.00 176.83 177.02 1jdi s ILE 90 N -4.41 3.10 0.00 0.95 -4.36 -1.15 -4.79 121.20 110.53 1jdi s ILE 90 Ca -0.04 0.95 0.00 0.00 -0.26 0.00 0.00 60.65 61.30 1jdi s ILE 90 Cb 0.15 -3.54 0.00 0.00 1.25 0.00 0.00 42.46 40.32 1jdi s ILE 90 CO 0.73 0.11 0.00 0.61 0.24 0.00 0.00 174.94 176.63 1jdi n GLY 91 N 0.67 0.98 3.25 6.27 0.00 0.73 -4.92 105.19 112.16 1jdi n GLY 91 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 1jdi n GLY 91 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jdi s GLY 92 N -0.84 -0.21 -0.02 -0.02 0.00 -0.68 -0.93 107.32 104.62 1jdi s GLY 92 Ca 0.00 0.62 0.03 0.00 0.00 0.00 0.00 44.72 45.36 1jdi s GLY 92 CO 0.00 0.43 -0.09 -0.42 0.00 0.00 0.00 173.10 173.02 1jdi s ILE 93 N -0.73 0.75 -0.07 0.90 1.01 0.29 -1.49 121.20 121.86 1jdi s ILE 93 Ca -0.08 -0.36 0.03 0.00 0.00 0.00 0.00 60.65 60.24 1jdi s ILE 93 Cb -0.04 -0.65 0.01 0.00 0.01 0.00 0.00 42.46 41.78 1jdi s ILE 93 CO 0.03 0.23 -0.15 -0.69 0.00 0.00 0.00 174.94 174.35 1jdi s VAL 94 N 0.07 1.38 -0.09 2.92 1.01 0.12 -1.12 120.40 124.68 1jdi s VAL 94 Ca -0.01 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.36 1jdi s VAL 94 Cb -0.07 -1.23 0.01 0.00 0.00 0.00 0.00 36.38 35.09 1jdi s VAL 94 CO 0.00 0.41 -0.16 -2.28 0.00 0.00 0.00 175.10 173.07 1jdi s HIS 95 N 0.53 1.91 0.25 5.22 5.04 -0.12 -0.25 115.29 127.88 1jdi s HIS 95 Ca -0.15 -0.83 -0.04 0.00 -1.54 0.00 0.00 55.06 52.50 1jdi s HIS 95 Cb -0.16 -1.37 -0.02 0.00 0.04 0.00 0.00 32.58 31.07 1jdi s HIS 95 CO 0.05 -0.41 0.31 0.95 -2.34 0.00 0.00 174.74 173.30 1jdi s THR 96 N 0.80 0.00 -0.31 0.89 -4.23 -1.20 -0.47 115.64 111.13 1jdi s THR 96 Ca -0.11 -1.75 0.07 0.00 -1.18 0.00 0.00 61.69 58.72 1jdi s THR 96 Cb -0.16 -2.43 0.46 0.00 1.34 0.00 0.00 72.50 71.71 1jdi s THR 96 CO 0.02 0.00 1.18 1.41 -0.54 0.00 0.00 174.62 176.68 1jdi n HIS 97 N -0.39 2.81 -1.68 3.99 8.25 -1.26 -3.43 115.22 123.52 1jdi n HIS 97 Ca 0.01 -2.33 -0.51 0.00 -0.26 0.00 0.00 57.72 54.64 1jdi n HIS 97 Cb 0.64 -0.31 -0.05 0.00 1.12 0.00 0.00 29.99 31.39 1jdi n HIS 97 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1jdi n SER 98 N -0.68 2.96 -0.12 0.41 3.41 -1.10 -4.72 113.62 113.78 1jdi n SER 98 Ca 0.43 1.03 -0.03 0.00 -0.26 0.00 0.00 58.87 60.04 1jdi n SER 98 Cb 0.93 -1.31 -0.03 0.00 -0.26 0.00 0.00 64.21 63.55 1jdi n SER 98 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1jdi n ARG 99 N 5.40 -0.13 0.07 4.33 1.74 -1.26 -0.93 116.66 125.88 1jdi n ARG 99 Ca 0.22 0.54 -0.09 0.00 -0.77 0.00 0.00 57.85 57.75 1jdi n ARG 99 Cb 0.24 -0.79 0.03 0.00 -1.02 0.00 0.00 32.46 30.92 1jdi n ARG 99 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1jdi h HIS 100 N 0.00 0.41 -0.46 -1.55 3.86 -1.88 0.11 115.15 115.63 1jdi h HIS 100 Ca 0.05 -0.19 -0.14 0.00 -1.16 0.00 0.00 60.37 58.93 1jdi h HIS 100 Cb 0.12 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 1jdi h HIS 100 CO -0.39 0.95 -0.25 0.00 0.86 0.00 0.00 177.93 179.11 1jdi h ALA 101 N 0.99 0.69 -0.18 2.45 0.00 -1.65 -2.53 119.26 119.02 1jdi h ALA 101 Ca -0.03 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 1jdi h ALA 101 Cb 1.35 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1jdi h ALA 101 CO 0.12 0.67 -0.16 1.15 0.00 0.00 0.00 179.25 181.04 1jdi h THR 102 N 0.83 1.21 -0.62 0.00 2.02 -0.89 -1.61 112.91 113.84 1jdi h THR 102 Ca 0.10 -0.92 -0.02 0.00 0.77 0.00 0.00 66.41 66.34 1jdi h THR 102 Cb 0.82 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 68.45 1jdi h THR 102 CO 0.07 0.29 0.32 0.40 0.37 0.00 0.00 175.52 176.97 1jdi h ILE 103 N 0.28 1.21 -0.63 3.11 2.04 -0.56 0.13 117.51 123.10 1jdi h ILE 103 Ca 0.05 -0.55 -0.08 0.00 1.00 0.00 0.00 64.86 65.28 1jdi h ILE 103 Cb 0.45 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1jdi h ILE 103 CO 0.03 0.23 0.06 -0.50 0.00 0.00 0.00 178.15 177.97 1jdi h TRP 104 N 0.85 1.14 -0.56 1.37 4.06 -1.10 -1.68 115.95 120.02 1jdi h TRP 104 Ca 0.22 -0.17 -0.00 0.00 2.06 0.00 0.00 58.89 60.99 1jdi h TRP 104 Cb 0.08 -0.31 -0.03 0.00 -1.00 0.00 0.00 29.16 27.91 1jdi h TRP 104 CO -0.00 0.98 0.34 0.00 -3.56 0.00 0.00 178.44 176.20 1jdi h ALA 105 N 1.02 0.72 0.00 1.49 0.00 -0.74 -0.26 119.26 121.49 1jdi h ALA 105 Ca 0.19 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1jdi h ALA 105 Cb 0.48 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1jdi h ALA 105 CO 0.02 0.20 -0.42 1.96 0.00 0.00 0.00 179.25 181.01 1jdi h GLN 106 N 0.76 0.00 0.00 0.00 4.20 -0.57 0.15 115.11 119.65 1jdi h GLN 106 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1jdi h GLN 106 Cb -0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1jdi h GLN 106 CO -0.04 0.42 0.00 0.00 -0.67 0.00 0.00 178.83 178.54 1jdi n ALA 107 N -2.44 2.33 -2.96 3.87 0.00 -0.65 -4.54 120.51 116.12 1jdi n ALA 107 Ca -0.02 -0.11 -0.21 0.00 0.00 0.00 0.00 53.44 53.11 1jdi n ALA 107 Cb 0.45 -1.46 0.03 0.00 0.00 0.00 0.00 19.45 18.47 1jdi n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jdi n GLY 108 N 1.40 -0.42 3.35 0.00 0.00 -0.17 -5.00 105.19 104.35 1jdi n GLY 108 Ca 0.08 0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 1jdi n GLY 108 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jdi s GLN 109 N -5.61 1.30 0.21 1.61 -0.21 -0.87 -4.99 119.66 111.11 1jdi s GLN 109 Ca 0.28 -1.31 -0.18 0.00 0.02 0.00 0.00 55.36 54.17 1jdi s GLN 109 Cb -0.12 -1.64 -0.08 0.00 1.00 0.00 0.00 33.01 32.16 1jdi s GLN 109 CO 0.35 0.38 0.69 -1.12 -2.12 0.00 0.00 175.29 173.46 1jdi s SER 110 N -2.15 6.99 -0.47 5.90 0.01 -1.26 -4.56 113.70 118.16 1jdi s SER 110 Ca 0.12 1.34 -0.25 0.00 1.31 0.00 0.00 55.95 58.46 1jdi s SER 110 Cb -0.09 -2.39 0.03 0.00 0.21 0.00 0.00 66.02 63.78 1jdi s SER 110 CO 0.06 0.03 0.94 -0.63 0.41 0.00 0.00 173.24 174.04 1jdi s ILE 111 N -1.55 4.45 0.52 1.44 1.01 -0.79 -4.92 121.20 121.36 1jdi s ILE 111 Ca 0.43 0.71 -0.18 0.00 0.00 0.00 0.00 60.65 61.61 1jdi s ILE 111 Cb -0.16 -4.45 -0.07 0.00 0.01 0.00 0.00 42.46 37.79 1jdi s ILE 111 CO 0.20 -0.88 1.04 -2.16 0.00 0.00 0.00 174.94 173.14 1jdi s PRO 112 N 3.81 3.66 -0.43 2.79 0.04 -1.26 -1.25 135.00 142.36 1jdi s PRO 112 Ca 0.37 1.26 -0.28 0.00 0.04 0.00 0.00 61.00 62.38 1jdi s PRO 112 Cb -0.10 -2.08 0.03 0.00 0.04 0.00 0.00 34.50 32.38 1jdi s PRO 112 CO 0.26 -0.54 1.08 0.00 0.04 0.00 0.00 177.00 177.84 1jdi s ALA 113 N -2.22 3.26 0.00 8.56 0.00 -1.26 -4.83 121.76 125.27 1jdi s ALA 113 Ca 0.65 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.18 1jdi s ALA 113 Cb -0.15 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.19 1jdi s ALA 113 CO 0.27 -2.01 0.58 0.25 0.00 0.00 0.00 175.76 174.84 1jdi n THR 114 N 6.51 0.30 -3.76 0.00 -2.24 -1.26 -0.81 114.28 113.01 1jdi n THR 114 Ca 0.11 -0.53 -0.11 0.00 -2.27 0.00 0.00 64.05 61.25 1jdi n THR 114 Cb 0.48 1.00 -0.07 0.00 -2.10 0.00 0.00 70.33 69.64 1jdi n THR 114 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1jdi s GLY 115 N -0.30 -0.09 0.53 3.38 0.00 -1.26 -4.73 107.32 104.85 1jdi s GLY 115 Ca 0.00 -0.16 0.30 0.00 0.00 0.00 0.00 44.72 44.86 1jdi s GLY 115 CO 0.00 -0.37 2.06 -0.91 0.00 0.00 0.00 173.10 173.88 1jdi h THR 116 N 2.99 0.42 -0.33 0.90 1.35 -1.97 -1.08 112.91 115.20 1jdi h THR 116 Ca -0.33 -0.54 0.02 0.00 -0.55 0.00 0.00 66.41 65.01 1jdi h THR 116 Cb 1.21 1.38 -0.03 0.00 -1.73 0.00 0.00 68.15 68.98 1jdi h THR 116 CO 0.49 0.10 0.17 0.74 -0.25 0.00 0.00 175.52 176.76 1jdi h THR 117 N 0.00 0.99 -0.08 6.82 2.02 -2.00 -0.90 112.91 119.76 1jdi h THR 117 Ca -0.00 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 1jdi h THR 117 Cb 0.37 0.62 -0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1jdi h THR 117 CO 0.01 0.06 -0.01 -0.74 0.37 0.00 0.00 175.52 175.22 1jdi h HIS 118 N 0.35 0.16 -0.70 3.16 6.17 -1.77 -3.14 115.15 119.37 1jdi h HIS 118 Ca 0.13 -0.03 0.18 0.00 0.71 0.00 0.00 60.37 61.36 1jdi h HIS 118 Cb 0.04 -0.04 -0.04 0.00 2.52 0.00 0.00 27.41 29.89 1jdi h HIS 118 CO -0.09 0.44 0.49 0.00 0.71 0.00 0.00 177.93 179.47 1jdi h ALA 119 N 0.69 2.40 0.00 5.26 0.00 -0.84 0.25 119.26 127.03 1jdi h ALA 119 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1jdi h ALA 119 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1jdi h ALA 119 CO 0.01 -0.60 0.00 -0.44 0.00 0.00 0.00 179.25 178.21 1jdi h ASP 120 N 0.18 0.00 0.00 0.00 3.45 -1.12 -2.98 116.42 115.95 1jdi h ASP 120 Ca 0.34 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.80 1jdi h ASP 120 Cb 1.09 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.86 1jdi h ASP 120 CO -0.06 0.00 -0.77 -1.22 -1.57 0.00 0.00 179.24 175.63 1jdi n TYR 121 N -3.00 0.00 -3.96 4.55 4.02 -0.14 -4.84 117.16 113.79 1jdi n TYR 121 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.64 1jdi n TYR 121 Cb 0.26 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.41 1jdi n TYR 121 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1jdi s PHE 122 N -1.61 1.25 -1.37 -0.72 0.08 -0.11 -4.52 117.98 110.99 1jdi s PHE 122 Ca 0.00 -0.56 -0.15 0.00 0.12 0.00 0.00 56.93 56.34 1jdi s PHE 122 Cb 0.00 -1.08 0.07 0.00 -0.57 0.00 0.00 43.02 41.44 1jdi s PHE 122 CO 0.00 -0.43 1.98 0.98 -0.10 0.00 0.00 175.22 177.65 1jdi n TYR 123 N 4.81 3.93 0.00 0.36 9.36 -0.25 -4.30 117.16 131.06 1jdi n TYR 123 Ca -0.13 -2.94 0.00 0.00 3.32 0.00 0.00 57.90 58.15 1jdi n TYR 123 Cb 0.50 -2.49 0.00 0.00 -0.63 0.00 0.00 39.34 36.72 1jdi n TYR 123 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1jdi n GLY 124 N 4.36 -0.12 3.71 2.98 0.00 -1.26 -4.88 105.19 109.99 1jdi n GLY 124 Ca 0.49 -2.23 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 1jdi n GLY 124 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jdi s THR 125 N 0.00 2.42 -0.43 2.61 2.01 -1.26 -4.49 115.64 116.51 1jdi s THR 125 Ca 0.00 0.25 -0.28 0.00 0.31 0.00 0.00 61.69 61.97 1jdi s THR 125 Cb 0.00 -3.16 0.02 0.00 0.01 0.00 0.00 72.50 69.38 1jdi s THR 125 CO 0.00 0.02 1.04 -0.63 -0.69 0.00 0.00 174.62 174.36 1jdi s ILE 126 N 1.45 4.39 0.49 1.82 1.01 -0.38 -4.95 121.20 125.04 1jdi s ILE 126 Ca 0.73 1.21 -0.22 0.00 0.00 0.00 0.00 60.65 62.37 1jdi s ILE 126 Cb -0.46 -4.48 -0.07 0.00 0.01 0.00 0.00 42.46 37.46 1jdi s ILE 126 CO 0.32 -0.79 1.19 -2.16 0.00 0.00 0.00 174.94 173.51 1jdi s PRO 127 N 3.97 3.58 -0.08 2.79 0.04 -1.26 -1.88 135.00 142.15 1jdi s PRO 127 Ca 0.43 1.83 0.03 0.00 0.04 0.00 0.00 61.00 63.33 1jdi s PRO 127 Cb -0.10 -2.31 -0.02 0.00 0.04 0.00 0.00 34.50 32.12 1jdi s PRO 127 CO 0.25 -0.72 -0.18 0.00 0.04 0.00 0.00 177.00 176.40 1jdi s THR 129 N -0.10 2.17 0.85 0.00 -4.23 0.86 -4.88 115.64 110.31 1jdi s THR 129 Ca -0.03 0.06 -0.13 0.00 -1.18 0.00 0.00 61.69 60.40 1jdi s THR 129 Cb -0.14 -2.71 0.11 0.00 1.34 0.00 0.00 72.50 71.10 1jdi s THR 129 CO 0.04 -0.07 1.21 0.00 -0.54 0.00 0.00 174.62 175.25 1jdi s ARG 130 N -5.15 1.64 0.65 3.99 1.70 -1.26 -4.15 118.95 116.36 1jdi s ARG 130 Ca 0.64 0.01 -0.15 0.00 -0.47 0.00 0.00 55.73 55.76 1jdi s ARG 130 Cb -0.16 -1.92 -0.01 0.00 -0.57 0.00 0.00 34.95 32.29 1jdi s ARG 130 CO 0.55 -1.81 1.11 0.15 -1.08 0.00 0.00 175.30 174.22 1jdi s LYS 131 N -5.63 2.87 0.34 3.89 1.02 -1.26 -4.53 119.74 116.44 1jdi s LYS 131 Ca 0.65 1.38 -0.14 0.00 0.02 0.00 0.00 55.97 57.87 1jdi s LYS 131 Cb -0.10 -1.96 -0.08 0.00 -0.52 0.00 0.00 37.83 35.17 1jdi s LYS 131 CO 0.50 -1.19 0.74 -1.64 -0.92 0.00 0.00 175.35 172.84 1jdi s MET 132 N -4.07 3.95 0.67 1.68 -1.94 -1.26 -5.06 119.30 113.26 1jdi s MET 132 Ca 0.67 0.62 -0.11 0.00 -1.71 0.00 0.00 55.69 55.16 1jdi s MET 132 Cb -0.20 -2.42 -0.01 0.00 2.01 0.00 0.00 34.83 34.21 1jdi s MET 132 CO 0.41 0.12 1.07 0.95 -0.01 0.00 0.00 175.02 177.55 1jdi s THR 133 N -2.06 4.02 0.33 2.05 -4.23 -1.26 -4.85 115.64 109.64 1jdi s THR 133 Ca 0.53 0.65 0.02 0.00 -1.18 0.00 0.00 61.69 61.72 1jdi s THR 133 Cb -0.10 -3.65 0.20 0.00 1.34 0.00 0.00 72.50 70.29 1jdi s THR 133 CO 0.20 -0.85 1.92 0.44 -0.54 0.00 0.00 174.62 175.79 1jdi h ASP 134 N -0.51 0.64 -0.42 3.99 3.32 -1.98 0.62 116.42 122.08 1jdi h ASP 134 Ca -0.45 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.53 1jdi h ASP 134 Cb 1.23 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.59 1jdi h ASP 134 CO 0.63 0.58 0.28 0.00 -1.72 0.00 0.00 179.24 179.01 1jdi h ALA 135 N 1.52 0.53 -0.40 3.45 0.00 -1.97 0.80 119.26 123.19 1jdi h ALA 135 Ca 0.17 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1jdi h ALA 135 Cb 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1jdi h ALA 135 CO -0.02 -0.01 -0.03 0.93 0.00 0.00 0.00 179.25 180.13 1jdi h GLU 136 N 0.57 0.73 -0.65 0.00 5.08 -1.74 -0.75 114.58 117.83 1jdi h GLU 136 Ca 0.15 -0.25 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 1jdi h GLU 136 Cb -0.06 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1jdi h GLU 136 CO -0.03 0.83 0.09 0.82 -1.00 0.00 0.00 179.01 179.72 1jdi h ILE 137 N 0.55 1.26 -0.01 3.13 2.04 -0.61 -2.94 117.51 120.93 1jdi h ILE 137 Ca 0.11 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 64.92 1jdi h ILE 137 Cb 0.52 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1jdi h ILE 137 CO 0.03 0.39 -0.05 0.59 0.00 0.00 0.00 178.15 179.11 1jdi n ASN 138 N -4.23 1.11 0.00 1.72 3.02 0.25 -4.35 115.26 112.78 1jdi n ASN 138 Ca 0.04 -1.23 0.00 0.00 -0.03 0.00 0.00 54.58 53.35 1jdi n ASN 138 Cb 0.30 0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.48 1jdi n ASN 138 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jdi n GLY 139 N 1.19 0.64 3.25 7.41 0.00 -0.29 -4.87 105.19 112.51 1jdi n GLY 139 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1jdi n GLY 139 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jdi n GLU 140 N 0.00 3.38 -0.10 1.61 -0.58 -1.26 -4.89 120.64 118.80 1jdi n GLU 140 Ca 0.00 -3.58 -0.03 0.00 -0.42 0.00 0.00 57.16 53.14 1jdi n GLU 140 Cb 0.00 -3.09 -0.02 0.00 -0.57 0.00 0.00 31.44 27.76 1jdi n GLU 140 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 1jdi n TYR 141 N 5.55 -0.10 -0.28 -0.32 9.36 -1.25 0.77 117.16 130.88 1jdi n TYR 141 Ca 0.41 0.28 0.00 0.00 3.32 0.00 0.00 57.90 61.91 1jdi n TYR 141 Cb 0.41 -0.48 0.13 0.00 -0.63 0.00 0.00 39.34 38.77 1jdi n TYR 141 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1jdi h GLU 142 N 0.00 0.82 -0.42 2.98 3.07 -1.90 0.35 114.58 119.49 1jdi h GLU 142 Ca 0.04 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 58.79 1jdi h GLU 142 Cb 0.09 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 27.80 1jdi h GLU 142 CO -0.21 0.54 0.06 2.35 -1.40 0.00 0.00 179.01 180.35 1jdi h TRP 143 N 0.85 0.74 -0.36 4.33 2.91 -1.63 -2.40 115.95 120.40 1jdi h TRP 143 Ca 0.35 -0.11 -0.05 0.00 1.13 0.00 0.00 58.89 60.21 1jdi h TRP 143 Cb 0.20 -0.20 -0.02 0.00 -0.51 0.00 0.00 29.16 28.63 1jdi h TRP 143 CO -0.05 0.73 0.02 1.49 -1.03 0.00 0.00 178.44 179.59 1jdi h GLU 144 N 0.55 0.55 -0.87 2.65 4.57 0.13 -1.15 114.58 121.01 1jdi h GLU 144 Ca 0.12 -0.11 0.02 0.00 -1.18 0.00 0.00 59.36 58.22 1jdi h GLU 144 Cb 0.39 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.85 1jdi h GLU 144 CO 0.01 0.56 0.57 1.15 -1.18 0.00 0.00 179.01 180.12 1jdi h THR 145 N 0.53 1.17 -0.66 0.32 2.02 0.04 -0.21 112.91 116.11 1jdi h THR 145 Ca 0.12 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 1jdi h THR 145 Cb 0.31 -0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.64 1jdi h THR 145 CO 0.01 0.20 0.34 1.23 0.37 0.00 0.00 175.52 177.67 1jdi h GLY 146 N 1.12 1.00 1.01 2.16 0.00 -0.75 -2.32 103.07 105.29 1jdi h GLY 146 Ca 0.34 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 1jdi h GLY 146 CO -0.10 0.46 0.37 3.43 0.00 0.00 0.00 176.54 180.69 1jdi h ASN 147 N 0.91 0.90 -0.53 0.19 2.35 -0.43 -1.49 115.58 117.47 1jdi h ASN 147 Ca 0.23 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 1jdi h ASN 147 Cb 0.08 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.20 1jdi h ASN 147 CO -0.03 0.76 0.30 0.58 -1.65 0.00 0.00 177.43 177.38 1jdi h VAL 148 N 0.97 1.17 0.03 2.81 2.07 -0.83 0.19 116.25 122.67 1jdi h VAL 148 Ca 0.25 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 1jdi h VAL 148 Cb 0.07 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1jdi h VAL 148 CO -0.04 0.20 -0.02 0.40 0.02 0.00 0.00 177.57 178.13 1jdi h ILE 149 N 0.78 1.19 -0.68 4.57 2.04 -0.85 -1.35 117.51 123.22 1jdi h ILE 149 Ca 0.20 -0.72 0.02 0.00 1.00 0.00 0.00 64.86 65.36 1jdi h ILE 149 Cb 0.04 1.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.75 1jdi h ILE 149 CO -0.03 0.18 0.43 0.58 0.00 0.00 0.00 178.15 179.31 1jdi h VAL 150 N -0.36 1.11 -1.00 1.67 2.07 -0.89 -1.86 116.25 116.99 1jdi h VAL 150 Ca -0.00 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.23 1jdi h VAL 150 Cb 0.33 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 1jdi h VAL 150 CO 0.01 0.16 0.66 -0.08 0.02 0.00 0.00 177.57 178.34 1jdi h GLU 151 N 0.85 1.31 -0.13 1.57 4.81 -0.58 -0.90 114.58 121.53 1jdi h GLU 151 Ca 0.26 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 59.44 1jdi h GLU 151 Cb -0.02 -0.30 -0.02 0.00 0.63 0.00 0.00 28.75 29.04 1jdi h GLU 151 CO -0.09 0.87 -0.04 1.15 -0.73 0.00 0.00 179.01 180.17 1jdi h THR 152 N 1.35 0.86 -0.46 0.32 2.02 -0.45 0.04 112.91 116.60 1jdi h THR 152 Ca 0.37 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.47 1jdi h THR 152 Cb -0.16 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1jdi h THR 152 CO -0.08 0.00 -0.03 -0.26 0.37 0.00 0.00 175.52 175.52 1jdi h PHE 153 N -0.01 0.83 0.19 3.16 -1.00 -0.96 -2.58 116.94 116.57 1jdi h PHE 153 Ca 0.06 -0.12 -0.01 0.00 2.81 0.00 0.00 57.97 60.71 1jdi h PHE 153 Cb 0.10 -0.22 0.00 0.00 3.61 0.00 0.00 35.95 39.44 1jdi h PHE 153 CO -0.17 0.78 -0.09 0.93 -1.61 0.00 0.00 178.31 178.15 1jdi h GLU 154 N 0.72 -0.24 0.00 1.51 5.08 -0.82 0.76 114.58 121.59 1jdi h GLU 154 Ca 0.14 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1jdi h GLU 154 Cb 0.48 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1jdi h GLU 154 CO 0.02 0.17 -0.02 0.87 -1.00 0.00 0.00 179.01 179.05 1jdi h LYS 155 N -0.81 0.00 -0.25 2.33 1.57 -1.06 -1.12 116.57 117.22 1jdi h LYS 155 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1jdi h LYS 155 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1jdi h LYS 155 CO 0.04 0.02 0.00 1.04 -0.57 0.00 0.00 179.45 179.98 1jdi n GLN 156 N -3.69 2.37 -3.67 3.15 6.02 -0.97 -4.99 117.38 115.60 1jdi n GLN 156 Ca -0.03 -2.12 -0.24 0.00 -0.01 0.00 0.00 57.00 54.61 1jdi n GLN 156 Cb 0.11 -1.48 0.06 0.00 1.02 0.00 0.00 30.24 29.95 1jdi n GLN 156 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jdi n GLY 157 N 1.39 -0.45 3.46 1.08 0.00 -0.43 -4.99 105.19 105.25 1jdi n GLY 157 Ca 0.17 0.18 -0.33 0.00 0.00 0.00 0.00 46.02 46.04 1jdi n GLY 157 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1jdi s ILE 158 N -3.39 3.51 -0.30 -0.61 2.07 0.14 -5.04 121.20 117.59 1jdi s ILE 158 Ca 0.38 -0.50 -0.28 0.00 -1.41 0.00 0.00 60.65 58.83 1jdi s ILE 158 Cb -0.18 -2.50 0.01 0.00 0.13 0.00 0.00 42.46 39.93 1jdi s ILE 158 CO 0.77 0.52 1.03 -0.62 -1.91 0.00 0.00 174.94 174.74 1jdi s ASP 159 N 0.17 6.94 0.64 4.50 3.68 -1.26 -4.64 116.67 126.70 1jdi s ASP 159 Ca -0.04 1.08 0.34 0.00 2.13 0.00 0.00 52.55 56.05 1jdi s ASP 159 Cb -0.14 -2.53 1.84 0.00 -1.45 0.00 0.00 42.92 40.65 1jdi s ASP 159 CO 0.04 -0.80 2.08 0.00 0.13 0.00 0.00 175.17 176.62 1jdi h ALA 160 N 7.95 1.41 0.00 3.66 0.00 -1.96 0.19 119.26 130.52 1jdi h ALA 160 Ca -0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1jdi h ALA 160 Cb 1.06 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1jdi h ALA 160 CO 1.00 -0.26 -0.02 0.00 0.00 0.00 0.00 179.25 179.97 1jdi n ALA 161 N -2.08 2.31 0.47 0.00 0.00 -1.26 -3.44 120.51 116.51 1jdi n ALA 161 Ca -0.01 -0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.44 1jdi n ALA 161 Cb 0.30 -1.46 -0.02 0.00 0.00 0.00 0.00 19.45 18.27 1jdi n ALA 161 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1jdi n GLN 162 N -2.18 2.66 -3.43 0.00 6.02 0.60 -4.77 117.38 116.28 1jdi n GLN 162 Ca 0.06 -0.39 -0.27 0.00 -0.01 0.00 0.00 57.00 56.39 1jdi n GLN 162 Cb 0.42 -1.05 -0.10 0.00 1.02 0.00 0.00 30.24 30.54 1jdi n GLN 162 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 1jdi n MET 163 N -0.61 0.64 -0.12 -1.09 1.56 -0.87 -1.10 117.12 115.55 1jdi n MET 163 Ca 0.03 -3.45 0.00 0.00 -0.27 0.00 0.00 57.70 54.01 1jdi n MET 163 Cb 0.20 -1.71 0.00 0.00 2.15 0.00 0.00 33.22 33.86 1jdi n MET 163 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 1jdi n PRO 164 N 2.35 0.50 -3.49 2.12 -0.04 -1.25 -4.72 135.00 130.47 1jdi n PRO 164 Ca 0.27 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.63 1jdi n PRO 164 Cb 0.47 -1.25 -0.02 0.00 -0.04 0.00 0.00 33.50 32.65 1jdi n PRO 164 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1jdi s GLY 165 N 1.46 -0.50 0.01 0.55 0.00 -1.26 -1.58 107.32 106.00 1jdi s GLY 165 Ca 0.00 0.96 -0.29 0.00 0.00 0.00 0.00 44.72 45.39 1jdi s GLY 165 CO 0.00 0.37 0.66 0.54 0.00 0.00 0.00 173.10 174.67 1jdi s VAL 166 N -3.05 0.00 -0.14 1.40 0.11 0.05 -4.55 120.40 114.21 1jdi s VAL 166 Ca 0.03 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.07 1jdi s VAL 166 Cb -0.01 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.83 1jdi s VAL 166 CO -0.08 0.00 -0.12 -0.76 -3.33 0.00 0.00 175.10 170.80 1jdi s LEU 167 N -1.63 2.72 -0.36 2.54 1.43 0.47 -1.04 118.68 122.79 1jdi s LEU 167 Ca -0.07 -0.35 -0.17 0.00 -1.03 0.00 0.00 54.13 52.51 1jdi s LEU 167 Cb -0.00 -1.62 -0.00 0.00 0.03 0.00 0.00 46.19 44.59 1jdi s LEU 167 CO 0.03 0.13 0.45 -0.69 0.23 0.00 0.00 176.35 176.51 1jdi s VAL 168 N 0.54 5.07 -0.07 -1.59 1.01 -0.20 -0.10 120.40 125.06 1jdi s VAL 168 Ca -0.08 0.13 -0.36 0.00 0.00 0.00 0.00 61.98 61.68 1jdi s VAL 168 Cb -0.16 -3.93 -0.17 0.00 0.00 0.00 0.00 36.38 32.12 1jdi s VAL 168 CO 0.04 -0.22 1.00 1.57 0.00 0.00 0.00 175.10 177.49 1jdi n HIS 169 N 5.62 0.72 -0.80 5.22 -0.00 -1.26 -0.07 115.22 124.64 1jdi n HIS 169 Ca -0.06 0.93 0.00 0.00 0.46 0.00 0.00 57.72 59.04 1jdi n HIS 169 Cb 0.49 -1.83 0.00 0.00 -0.12 0.00 0.00 29.99 28.53 1jdi n HIS 169 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1jdi n SER 170 N 1.67 -2.95 0.00 0.26 7.64 0.39 -4.76 113.62 115.87 1jdi n SER 170 Ca 0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.07 1jdi n SER 170 Cb 0.05 -2.60 0.00 0.00 -1.01 0.00 0.00 64.21 60.65 1jdi n SER 170 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1jdi n HIS 171 N -2.08 0.00 -1.60 1.43 -0.00 0.90 -4.81 115.22 109.04 1jdi n HIS 171 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1jdi n HIS 171 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.21 1jdi n HIS 171 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1jdi n GLY 172 N 4.15 -1.32 3.86 1.57 0.00 -0.99 -4.83 105.19 107.61 1jdi n GLY 172 Ca 0.00 -0.96 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 1jdi n GLY 172 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jdi s PRO 173 N -1.15 3.90 -0.03 1.61 0.04 -1.22 -1.03 135.00 137.11 1jdi s PRO 173 Ca 0.00 0.71 0.01 0.00 0.04 0.00 0.00 61.00 61.76 1jdi s PRO 173 Cb 0.00 -2.30 0.02 0.00 0.04 0.00 0.00 34.50 32.26 1jdi s PRO 173 CO 0.00 -0.09 -0.03 -0.06 0.04 0.00 0.00 177.00 176.86 1jdi s PHE 174 N -2.39 0.59 0.21 0.56 0.08 -0.21 -3.21 117.98 113.62 1jdi s PHE 174 Ca 0.55 -0.13 0.04 0.00 0.12 0.00 0.00 56.93 57.51 1jdi s PHE 174 Cb -0.10 -0.55 -0.05 0.00 -0.57 0.00 0.00 43.02 41.75 1jdi s PHE 174 CO 0.28 -0.15 -0.03 0.00 -0.10 0.00 0.00 175.22 175.22 1jdi s ALA 175 N 0.80 1.73 0.27 5.36 0.00 0.65 -0.77 121.76 129.80 1jdi s ALA 175 Ca -0.10 -1.69 -0.14 0.00 0.00 0.00 0.00 51.96 50.03 1jdi s ALA 175 Cb -0.13 0.36 0.00 0.00 0.00 0.00 0.00 23.12 23.35 1jdi s ALA 175 CO -0.00 -0.20 0.55 1.67 0.00 0.00 0.00 175.76 177.78 1jdi s TRP 176 N -3.38 0.27 0.01 0.00 -2.14 -0.62 0.13 118.94 113.21 1jdi s TRP 176 Ca 0.25 -0.66 -0.01 0.00 2.66 0.00 0.00 56.10 58.34 1jdi s TRP 176 Cb 0.05 0.32 0.00 0.00 -3.10 0.00 0.00 33.47 30.74 1jdi s TRP 176 CO 0.07 -1.09 0.04 0.41 -2.66 0.00 0.00 176.95 173.72 1jdi n GLY 177 N -0.42 1.31 0.24 3.67 0.00 -0.55 -4.49 105.19 104.95 1jdi n GLY 177 Ca -0.02 -0.94 0.06 0.00 0.00 0.00 0.00 46.02 45.12 1jdi n GLY 177 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jdi h LYS 178 N 0.00 0.04 0.00 1.61 1.57 -1.87 0.23 116.57 118.15 1jdi h LYS 178 Ca -0.01 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 1jdi h LYS 178 Cb 0.05 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1jdi h LYS 178 CO 0.02 0.13 0.09 0.27 -0.57 0.00 0.00 179.45 179.38 1jdi n ASN 179 N -4.41 -1.38 0.03 0.86 0.23 -1.26 -3.51 115.26 105.81 1jdi n ASN 179 Ca -0.02 -2.20 -0.10 0.00 -0.53 0.00 0.00 54.58 51.72 1jdi n ASN 179 Cb 0.17 2.38 -0.04 0.00 -2.08 0.00 0.00 39.78 40.21 1jdi n ASN 179 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1jdi h ALA 180 N 1.95 -0.26 -0.15 -2.53 0.00 -1.83 -0.73 119.26 115.73 1jdi h ALA 180 Ca -0.22 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1jdi h ALA 180 Cb 0.86 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1jdi h ALA 180 CO 0.29 -0.71 0.02 1.49 0.00 0.00 0.00 179.25 180.33 1jdi h GLU 181 N -0.33 0.07 -0.82 0.00 4.81 -1.96 -1.50 114.58 114.85 1jdi h GLU 181 Ca 0.08 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.34 1jdi h GLU 181 Cb 0.44 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.76 1jdi h GLU 181 CO -0.25 0.05 0.54 0.22 -0.73 0.00 0.00 179.01 178.83 1jdi h ASP 182 N 0.07 0.86 -0.50 1.04 3.58 -1.89 -1.28 116.42 118.31 1jdi h ASP 182 Ca 0.07 -0.01 -0.11 0.00 0.42 0.00 0.00 57.03 57.40 1jdi h ASP 182 Cb 0.07 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 40.91 1jdi h ASP 182 CO -0.10 0.58 -0.11 0.00 -2.88 0.00 0.00 179.24 176.73 1jdi h ALA 183 N 1.53 0.68 -0.66 -0.78 0.00 -0.72 -2.05 119.26 117.26 1jdi h ALA 183 Ca 0.33 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1jdi h ALA 183 Cb 0.07 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1jdi h ALA 183 CO -0.10 0.59 0.43 0.28 0.00 0.00 0.00 179.25 180.45 1jdi h VAL 184 N 0.81 1.18 -0.71 0.00 2.07 -0.29 -0.03 116.25 119.28 1jdi h VAL 184 Ca 0.13 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1jdi h VAL 184 Cb 0.67 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1jdi h VAL 184 CO 0.05 0.17 0.45 0.45 0.02 0.00 0.00 177.57 178.71 1jdi h HIS 185 N 0.90 0.92 -0.16 1.57 -0.00 -1.03 -0.91 115.15 116.44 1jdi h HIS 185 Ca 0.24 0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.54 1jdi h HIS 185 Cb -0.08 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 27.01 1jdi h HIS 185 CO -0.02 0.60 -0.27 -0.91 -0.00 0.00 0.00 177.93 177.33 1jdi h ASN 186 N 0.97 0.29 -0.38 2.45 2.35 -0.88 -1.63 115.58 118.75 1jdi h ASN 186 Ca 0.26 -0.09 -0.05 0.00 -0.55 0.00 0.00 56.30 55.86 1jdi h ASN 186 Cb -0.07 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 1jdi h ASN 186 CO -0.05 0.57 0.05 0.00 -1.65 0.00 0.00 177.43 176.35 1jdi h ALA 187 N 1.46 0.51 -0.44 -0.83 0.00 -0.16 0.36 119.26 120.15 1jdi h ALA 187 Ca 0.04 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 1jdi h ALA 187 Cb 0.62 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1jdi h ALA 187 CO 0.04 0.23 -0.20 -0.84 0.00 0.00 0.00 179.25 178.49 1jdi h ILE 188 N 0.48 1.27 -0.38 0.00 -0.00 -0.93 -1.89 117.51 116.06 1jdi h ILE 188 Ca 0.11 -1.33 -0.14 0.00 -0.00 0.00 0.00 64.86 63.51 1jdi h ILE 188 Cb 0.39 1.14 -0.01 0.00 -0.00 0.00 0.00 36.82 38.34 1jdi h ILE 188 CO 0.01 0.45 -0.30 0.58 -0.00 0.00 0.00 178.15 178.89 1jdi h VAL 189 N 0.76 1.28 -0.51 0.16 2.07 -1.17 -1.11 116.25 117.72 1jdi h VAL 189 Ca 0.11 -1.46 0.06 0.00 0.82 0.00 0.00 66.70 66.23 1jdi h VAL 189 Cb 0.73 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 1jdi h VAL 189 CO 0.06 0.49 0.22 0.25 0.02 0.00 0.00 177.57 178.60 1jdi h LEU 190 N 0.71 0.27 -0.67 2.57 5.85 -0.70 0.57 115.31 123.91 1jdi h LEU 190 Ca 0.08 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1jdi h LEU 190 Cb 0.85 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 1jdi h LEU 190 CO 0.07 0.19 0.36 -0.08 -0.34 0.00 0.00 178.44 178.64 1jdi h GLU 191 N 0.42 0.94 0.12 1.25 4.57 -1.06 -1.55 114.58 119.26 1jdi h GLU 191 Ca 0.24 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1jdi h GLU 191 Cb 0.21 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 1jdi h GLU 191 CO -0.21 0.71 -0.11 1.49 -1.18 0.00 0.00 179.01 179.71 1jdi h GLU 192 N 0.92 -0.24 0.00 1.92 4.57 0.04 -0.47 114.58 121.32 1jdi h GLU 192 Ca 0.23 0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.40 1jdi h GLU 192 Cb 0.05 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1jdi h GLU 192 CO -0.04 -0.16 -0.16 -0.39 -1.18 0.00 0.00 179.01 177.08 1jdi h VAL 193 N -0.25 0.41 -0.20 0.32 -1.51 -0.85 -1.60 116.25 112.56 1jdi h VAL 193 Ca 0.00 -0.93 -0.06 0.00 -1.23 0.00 0.00 66.70 64.49 1jdi h VAL 193 Cb 0.24 1.68 -0.01 0.00 -2.13 0.00 0.00 31.29 31.07 1jdi h VAL 193 CO -0.02 0.16 -0.10 0.00 -1.23 0.00 0.00 177.57 176.37 1jdi h ALA 194 N 1.84 0.29 0.56 5.19 0.00 -0.84 0.97 119.26 127.27 1jdi h ALA 194 Ca -0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1jdi h ALA 194 Cb 0.66 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.39 1jdi h ALA 194 CO 0.02 0.13 -0.27 -0.92 0.00 0.00 0.00 179.25 178.21 1jdi h TYR 195 N 0.13 -0.69 -0.07 0.00 5.03 -0.60 -2.55 116.97 118.21 1jdi h TYR 195 Ca 0.05 -0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.31 1jdi h TYR 195 Cb 0.59 0.23 -0.01 0.00 1.55 0.00 0.00 36.73 39.10 1jdi h TYR 195 CO 0.06 -0.42 -0.11 0.52 -1.32 0.00 0.00 178.16 176.89 1jdi h MET 196 N -0.77 0.11 -0.38 1.82 0.00 -1.33 -2.29 114.93 112.09 1jdi h MET 196 Ca -0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 59.70 59.57 1jdi h MET 196 Cb 0.58 -0.02 -0.02 0.00 0.00 0.00 0.00 31.60 32.15 1jdi h MET 196 CO 0.13 0.22 0.09 0.78 0.00 0.00 0.00 176.91 178.13 1jdi h GLY 197 N 0.52 0.59 0.81 8.32 0.00 -0.55 -0.65 103.07 112.12 1jdi h GLY 197 Ca 0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1jdi h GLY 197 CO 0.02 0.29 -0.06 -2.22 0.00 0.00 0.00 176.54 174.57 1jdi h ILE 198 N 0.54 0.97 0.00 2.60 2.04 -1.00 -2.88 117.51 119.78 1jdi h ILE 198 Ca 0.13 -0.41 -0.10 0.00 1.00 0.00 0.00 64.86 65.48 1jdi h ILE 198 Cb 0.21 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1jdi h ILE 198 CO -0.00 0.10 -0.46 -0.26 0.00 0.00 0.00 178.15 177.52 1jdi h PHE 199 N -0.37 0.00 0.00 1.37 0.04 -1.54 -2.77 116.94 113.67 1jdi h PHE 199 Ca -0.02 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.66 1jdi h PHE 199 Cb 0.30 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 1jdi h PHE 199 CO -0.01 0.46 -0.46 0.00 -0.60 0.00 0.00 178.31 177.71 1jdi h ARG 201 N 0.00 0.76 -0.79 0.00 2.43 -1.42 0.23 114.38 115.59 1jdi h ARG 201 Ca -0.00 -0.36 0.01 0.00 -0.81 0.00 0.00 59.98 58.82 1jdi h ARG 201 Cb 1.09 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.60 1jdi h ARG 201 CO 0.06 0.98 0.52 0.37 -1.51 0.00 0.00 179.97 180.39 1jdi h GLN 202 N 0.53 1.01 -0.37 0.20 4.15 -1.17 0.14 115.11 119.60 1jdi h GLN 202 Ca 0.07 -0.06 -0.15 0.00 0.77 0.00 0.00 58.65 59.28 1jdi h GLN 202 Cb 0.79 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 28.25 1jdi h GLN 202 CO 0.06 0.67 -0.35 -0.07 -1.93 0.00 0.00 178.83 177.21 1jdi h LEU 203 N 1.04 0.89 -6.53 -2.39 3.38 -1.10 -3.38 115.31 107.22 1jdi h LEU 203 Ca 0.30 -0.39 -0.60 0.00 0.09 0.00 0.00 57.88 57.28 1jdi h LEU 203 Cb -0.09 -0.25 -0.39 0.00 0.09 0.00 0.00 40.66 40.03 1jdi h LEU 203 CO -0.08 1.15 -0.88 0.00 0.09 0.00 0.00 178.44 178.73 1jdi n ALA 204 N -2.53 3.00 0.18 1.53 0.00 0.05 -4.98 120.51 117.78 1jdi n ALA 204 Ca -0.02 -3.49 0.18 0.00 0.00 0.00 0.00 53.44 50.12 1jdi n ALA 204 Cb 0.52 -0.82 0.81 0.00 0.00 0.00 0.00 19.45 19.95 1jdi n ALA 204 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1jdi h PRO 205 N 5.52 0.00 -0.44 0.00 0.13 -0.93 -0.59 132.00 135.69 1jdi h PRO 205 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 1jdi h PRO 205 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1jdi h PRO 205 CO 0.46 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.27 1jdi n GLN 206 N -3.80 3.97 -1.79 0.86 3.00 -1.26 -5.00 117.38 113.36 1jdi n GLN 206 Ca 0.03 -3.00 -0.42 0.00 -0.01 0.00 0.00 57.00 53.59 1jdi n GLN 206 Cb 0.38 -2.06 -0.03 0.00 0.00 0.00 0.00 30.24 28.53 1jdi n GLN 206 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1jdi s LEU 207 N -2.74 4.38 0.55 1.08 0.20 -0.23 -4.99 118.68 116.94 1jdi s LEU 207 Ca 0.49 2.71 -0.11 0.00 0.69 0.00 0.00 54.13 57.91 1jdi s LEU 207 Cb 0.38 -3.58 -0.05 0.00 -0.43 0.00 0.00 46.19 42.51 1jdi s LEU 207 CO 0.13 -0.95 0.95 -2.16 -0.29 0.00 0.00 176.35 174.03 1jdi s PRO 208 N 2.15 3.67 0.80 0.98 0.04 -1.26 -5.02 135.00 136.36 1jdi s PRO 208 Ca 0.77 0.66 -0.14 0.00 0.04 0.00 0.00 61.00 62.33 1jdi s PRO 208 Cb -0.45 -2.17 0.06 0.00 0.04 0.00 0.00 34.50 31.97 1jdi s PRO 208 CO 0.34 -0.39 1.07 -0.25 0.04 0.00 0.00 177.00 177.80 1jdi n ASP 209 N -2.30 0.58 -4.65 6.66 10.43 -1.26 -4.93 116.55 121.08 1jdi n ASP 209 Ca 0.05 0.58 -0.33 0.00 2.57 0.00 0.00 54.79 57.66 1jdi n ASP 209 Cb 0.54 -1.45 0.14 0.00 1.84 0.00 0.00 41.12 42.19 1jdi n ASP 209 CO 0.00 0.00 0.00 1.15 -1.07 0.00 0.00 177.20 177.28 1jdi n MET 210 N -2.79 -0.10 -1.67 -1.24 0.00 0.01 -4.89 117.12 106.43 1jdi n MET 210 Ca 0.13 0.04 -0.45 0.00 0.00 0.00 0.00 57.70 57.42 1jdi n MET 210 Cb 0.50 -2.34 -0.03 0.00 0.00 0.00 0.00 33.22 31.35 1jdi n MET 210 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 1jdi n GLN 211 N -3.40 2.12 -0.31 3.17 6.02 -1.26 -4.85 117.38 118.87 1jdi n GLN 211 Ca 0.12 0.76 0.05 0.00 -0.01 0.00 0.00 57.00 57.92 1jdi n GLN 211 Cb 0.51 -2.47 0.24 0.00 1.02 0.00 0.00 30.24 29.54 1jdi n GLN 211 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 1jdi h GLN 212 N 4.96 1.00 -0.76 -1.09 5.75 -1.99 -0.74 115.11 122.23 1jdi h GLN 212 Ca -0.45 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 57.99 1jdi h GLN 212 Cb 1.26 -0.22 -0.04 0.00 1.07 0.00 0.00 27.48 29.55 1jdi h GLN 212 CO 0.81 0.66 0.47 1.15 -2.65 0.00 0.00 178.83 179.28 1jdi h THR 213 N 1.03 1.21 -0.45 2.39 2.02 -1.99 0.98 112.91 118.10 1jdi h THR 213 Ca 0.41 -0.43 -0.14 0.00 0.77 0.00 0.00 66.41 67.02 1jdi h THR 213 Cb 0.25 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 1jdi h THR 213 CO -0.16 0.21 -0.26 0.25 0.37 0.00 0.00 175.52 175.92 1jdi h LEU 214 N 1.03 1.00 -0.19 2.58 5.85 -1.68 0.69 115.31 124.59 1jdi h LEU 214 Ca 0.27 -0.42 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 1jdi h LEU 214 Cb -0.07 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.67 1jdi h LEU 214 CO -0.05 1.20 0.12 0.25 -0.34 0.00 0.00 178.44 179.61 1jdi h LEU 215 N 0.81 0.22 -0.36 2.25 6.46 -0.75 -1.91 115.31 122.03 1jdi h LEU 215 Ca 0.09 -0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.81 1jdi h LEU 215 Cb 0.85 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.71 1jdi h LEU 215 CO 0.07 0.19 0.18 0.78 -0.62 0.00 0.00 178.44 179.05 1jdi h ASN 216 N 0.23 0.46 -0.28 1.25 2.35 -0.67 -0.49 115.58 118.43 1jdi h ASN 216 Ca 0.07 -0.11 0.06 0.00 -0.55 0.00 0.00 56.30 55.77 1jdi h ASN 216 Cb 0.01 -0.12 -0.07 0.00 0.05 0.00 0.00 38.32 38.19 1jdi h ASN 216 CO -0.01 0.45 -0.18 0.50 -1.65 0.00 0.00 177.43 176.54 1jdi h LYS 217 N 0.45 -0.15 -0.05 0.81 3.11 -0.57 -1.08 116.57 119.08 1jdi h LYS 217 Ca 0.12 0.01 -0.03 0.00 -2.81 0.00 0.00 60.65 57.95 1jdi h LYS 217 Cb 0.10 0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 31.36 1jdi h LYS 217 CO -0.02 -0.10 -0.07 0.45 -2.81 0.00 0.00 179.45 176.91 1jdi h HIS 218 N -0.15 0.17 -0.07 1.91 3.86 -1.22 -2.36 115.15 117.30 1jdi h HIS 218 Ca 0.15 -0.06 -0.03 0.00 -1.16 0.00 0.00 60.37 59.28 1jdi h HIS 218 Cb 0.38 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 28.81 1jdi h HIS 218 CO -0.36 0.62 -0.07 -0.92 0.86 0.00 0.00 177.93 178.07 1jdi h TYR 219 N -0.32 0.20 0.00 2.45 5.03 -0.92 -3.20 116.97 120.20 1jdi h TYR 219 Ca 0.01 -0.06 -0.05 0.00 2.58 0.00 0.00 58.73 61.21 1jdi h TYR 219 Cb 0.60 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 38.83 1jdi h TYR 219 CO 0.10 0.60 -0.25 -0.07 -1.32 0.00 0.00 178.16 177.23 1jdi h LEU 220 N -0.26 0.00 0.16 2.82 4.07 -1.33 -3.03 115.31 117.74 1jdi h LEU 220 Ca 0.01 0.00 0.01 0.00 0.08 0.00 0.00 57.88 57.98 1jdi h LEU 220 Cb 0.57 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.28 1jdi h LEU 220 CO 0.02 0.25 -0.26 -0.09 -1.08 0.00 0.00 178.44 177.27 1jdi h ARG 221 N 0.00 -0.48 0.00 1.13 2.43 -1.42 -3.41 114.38 112.64 1jdi h ARG 221 Ca -0.00 0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 1jdi h ARG 221 Cb 0.46 0.11 0.02 0.00 -0.42 0.00 0.00 29.97 30.14 1jdi h ARG 221 CO 0.03 -0.32 0.04 1.63 -1.51 0.00 0.00 179.97 179.84 1jdi n LYS 222 N -5.38 0.11 -0.17 0.20 5.02 -1.14 -5.12 118.16 111.68 1jdi n LYS 222 Ca -0.07 -0.32 0.00 0.00 -2.02 0.00 0.00 58.31 55.90 1jdi n LYS 222 Cb 0.29 -0.15 0.00 0.00 -0.02 0.00 0.00 35.03 35.15 1jdi n LYS 222 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60