#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 -0.08 -0.32 3.17 4.77 -1.26 -5.01 117.00 118.27 1jdi n LEU 2 Ca 0.00 -3.52 0.07 0.00 -0.03 0.00 0.00 56.01 52.53 1jdi n LEU 2 Cb 0.00 0.25 0.15 0.00 -2.33 0.00 0.00 43.42 41.49 1jdi n LEU 2 CO 0.00 1.66 0.61 -0.62 -1.33 0.00 0.00 177.39 177.72 1jdi n GLU 3 N -0.42 -0.08 -0.10 3.23 4.71 -1.26 -0.48 120.64 126.24 1jdi n GLU 3 Ca 0.02 1.39 -0.10 0.00 -0.01 0.00 0.00 57.16 58.47 1jdi n GLU 3 Cb 0.83 -2.10 -0.02 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 0.42 -0.69 1.62 1.82 -1.99 -0.70 116.42 116.91 1jdi h ASP 4 Ca 0.45 -0.15 -0.01 0.00 -0.39 0.00 0.00 57.03 56.93 1jdi h ASP 4 Cb 0.74 -0.11 -0.03 0.00 0.68 0.00 0.00 39.33 40.61 1jdi h ASP 4 CO -0.91 0.46 0.41 0.25 -1.61 0.00 0.00 179.24 177.84 1jdi h LEU 5 N 0.36 0.83 -1.29 2.28 6.46 -1.20 -0.97 115.31 121.78 1jdi h LEU 5 Ca 0.11 -0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 57.79 1jdi h LEU 5 Cb 0.16 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 39.85 1jdi h LEU 5 CO -0.01 0.65 0.39 0.11 -0.62 0.00 0.00 178.44 178.96 1jdi h LYS 6 N 0.93 0.87 -0.10 1.25 1.57 -0.71 -0.21 116.57 120.17 1jdi h LYS 6 Ca 0.25 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1jdi h LYS 6 Cb -0.02 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.10 1jdi h LYS 6 CO -0.05 0.61 0.03 -0.09 -0.57 0.00 0.00 179.45 179.38 1jdi h ARG 7 N 0.88 0.15 0.01 3.15 1.12 -0.17 0.76 114.38 120.28 1jdi h ARG 7 Ca 0.23 -0.03 0.01 0.00 -1.11 0.00 0.00 59.98 59.08 1jdi h ARG 7 Cb -0.03 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 29.90 1jdi h ARG 7 CO -0.04 0.31 -0.05 1.96 -3.11 0.00 0.00 179.97 179.04 1jdi h GLN 8 N -0.04 -0.09 -0.57 0.20 4.20 -0.70 -0.07 115.11 118.04 1jdi h GLN 8 Ca 0.03 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 1jdi h GLN 8 Cb 0.23 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 1jdi h GLN 8 CO -0.00 -0.06 0.21 0.28 -0.67 0.00 0.00 178.83 178.59 1jdi h VAL 9 N -0.09 1.21 -0.07 -0.54 2.07 -1.00 0.42 116.25 118.25 1jdi h VAL 9 Ca 0.02 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 1jdi h VAL 9 Cb 0.12 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1jdi h VAL 9 CO -0.05 0.26 0.03 0.25 0.02 0.00 0.00 177.57 178.08 1jdi h LEU 10 N 0.82 0.09 -0.73 2.57 7.12 -0.37 -1.04 115.31 123.76 1jdi h LEU 10 Ca 0.19 -0.13 -0.04 0.00 0.13 0.00 0.00 57.88 58.03 1jdi h LEU 10 Cb 0.18 -0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 40.26 1jdi h LEU 10 CO -0.02 0.20 0.29 -0.33 -0.13 0.00 0.00 178.44 178.45 1jdi h GLU 11 N -0.03 1.08 0.01 1.25 5.08 -0.64 -1.23 114.58 120.11 1jdi h GLU 11 Ca 0.02 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1jdi h GLU 11 Cb 0.13 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1jdi h GLU 11 CO -0.00 0.89 -0.04 0.00 -1.00 0.00 0.00 179.01 178.86 1jdi h ALA 12 N 1.14 -0.05 -0.93 3.43 0.00 -0.75 -0.40 119.26 121.70 1jdi h ALA 12 Ca 0.24 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1jdi h ALA 12 Cb 0.21 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1jdi h ALA 12 CO -0.02 -0.54 0.61 -0.91 0.00 0.00 0.00 179.25 178.39 1jdi h ASN 13 N -0.08 1.04 0.52 0.00 2.35 -0.99 -1.00 115.58 117.42 1jdi h ASN 13 Ca 0.01 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 1jdi h ASN 13 Cb 0.09 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.21 1jdi h ASN 13 CO -0.03 0.73 -0.14 -0.07 -1.65 0.00 0.00 177.43 176.27 1jdi h LEU 14 N 1.22 0.00 -0.87 1.61 4.07 -0.79 -2.53 115.31 118.02 1jdi h LEU 14 Ca 0.36 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 58.23 1jdi h LEU 14 Cb -0.08 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.65 1jdi h LEU 14 CO -0.10 0.14 -0.42 0.00 -1.08 0.00 0.00 178.44 176.99 1jdi h ALA 15 N 1.86 0.98 0.01 1.53 0.00 0.32 -3.30 119.26 120.66 1jdi h ALA 15 Ca -0.00 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.56 1jdi h ALA 15 Cb 0.44 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1jdi h ALA 15 CO 0.02 0.52 -0.27 -0.07 0.00 0.00 0.00 179.25 179.45 1jdi h LEU 16 N 0.00 -0.79 -0.99 0.00 4.07 -1.32 -1.58 115.31 114.70 1jdi h LEU 16 Ca -0.00 0.11 -0.10 0.00 0.08 0.00 0.00 57.88 57.96 1jdi h LEU 16 Cb 0.95 0.32 -0.01 0.00 1.08 0.00 0.00 40.66 42.99 1jdi h LEU 16 CO 0.05 -0.34 -0.43 1.55 -1.08 0.00 0.00 178.44 178.19 1jdi h PRO 17 N -0.42 0.15 -0.25 1.13 0.13 -1.74 -1.37 132.00 129.63 1jdi h PRO 17 Ca 0.06 -0.07 -0.04 0.00 -0.87 0.00 0.00 66.00 65.08 1jdi h PRO 17 Cb 0.50 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 1jdi h PRO 17 CO -0.23 0.56 -0.01 0.87 -0.23 0.00 0.00 178.00 178.96 1jdi h LYS 18 N 0.12 0.37 -0.63 0.86 1.57 -1.54 -1.56 116.57 115.75 1jdi h LYS 18 Ca 0.01 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1jdi h LYS 18 Cb 0.82 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1jdi h LYS 18 CO 0.06 0.40 0.00 0.72 -0.57 0.00 0.00 179.45 180.06 1jdi n HIS 19 N -4.33 1.73 -3.90 -1.35 8.25 -0.63 -4.93 115.22 110.06 1jdi n HIS 19 Ca 0.00 -0.62 -0.31 0.00 -0.26 0.00 0.00 57.72 56.54 1jdi n HIS 19 Cb 0.21 -0.41 0.00 0.00 1.12 0.00 0.00 29.99 30.91 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 0.67 -4.15 -0.33 0.41 3.02 -0.59 -4.83 115.26 109.46 1jdi n ASN 20 Ca 0.24 -0.78 0.12 0.00 -0.03 0.00 0.00 54.58 54.14 1jdi n ASN 20 Cb 1.03 -3.36 0.18 0.00 -0.61 0.00 0.00 39.78 37.02 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 -4.39 1.44 -3.84 3.41 4.77 -0.53 -4.83 117.00 113.03 1jdi n LEU 21 Ca 0.04 -0.48 -0.09 0.00 -0.03 0.00 0.00 56.01 55.46 1jdi n LEU 21 Cb 0.52 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.50 1jdi n LEU 21 CO 0.74 0.27 0.31 0.54 -1.33 0.00 0.00 177.39 177.93 1jdi s VAL 22 N -2.54 0.01 0.12 4.08 0.11 -1.24 -2.88 120.40 118.06 1jdi s VAL 22 Ca 0.20 -1.00 -0.00 0.00 -2.93 0.00 0.00 61.98 58.25 1jdi s VAL 22 Cb 0.18 -1.87 -0.04 0.00 -1.53 0.00 0.00 36.38 33.13 1jdi s VAL 22 CO 0.57 -0.05 0.03 -0.89 -3.33 0.00 0.00 175.10 171.43 1jdi s THR 23 N -3.92 0.24 0.00 5.04 2.01 -1.26 -4.69 115.64 113.06 1jdi s THR 23 Ca 0.13 -1.91 0.00 0.00 0.31 0.00 0.00 61.69 60.23 1jdi s THR 23 Cb -0.02 -1.95 0.00 0.00 0.01 0.00 0.00 72.50 70.54 1jdi s THR 23 CO 0.03 -0.58 0.00 0.18 -0.69 0.00 0.00 174.62 173.56 1jdi n LEU 24 N -0.08 0.00 -0.75 4.42 4.77 -1.26 -1.93 117.00 122.17 1jdi n LEU 24 Ca -0.07 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 55.97 1jdi n LEU 24 Cb 0.63 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.92 1jdi n LEU 24 CO 0.31 0.00 0.67 0.35 -1.33 0.00 0.00 177.39 177.38 1jdi n THR 25 N 0.00 1.60 -0.99 -5.08 -2.24 -1.26 -4.79 114.28 101.52 1jdi n THR 25 Ca 0.00 -1.41 -0.30 0.00 -2.27 0.00 0.00 64.05 60.08 1jdi n THR 25 Cb 0.00 0.15 0.17 0.00 -2.10 0.00 0.00 70.33 68.55 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 2.00 0.00 4.78 0.51 -0.81 -4.89 118.94 118.68 1jdi s TRP 26 Ca 0.32 1.32 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 -2.77 0.00 0.41 -0.51 0.00 0.00 176.95 174.20 1jdi n GLY 27 N -0.52 -1.80 3.64 0.98 0.00 -1.26 -4.71 105.19 101.51 1jdi n GLY 27 Ca 0.07 -1.52 -0.06 0.00 0.00 0.00 0.00 46.02 44.51 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 -3.29 -0.24 0.08 1.61 2.20 0.40 -4.98 114.94 110.72 1jdi s ASN 28 Ca 0.00 0.44 0.08 0.00 -0.94 0.00 0.00 52.86 52.44 1jdi s ASN 28 Cb 0.00 0.44 -0.03 0.00 -2.00 0.00 0.00 41.25 39.66 1jdi s ASN 28 CO 0.00 -0.10 -0.21 -0.69 -2.94 0.00 0.00 177.10 173.16 1jdi s VAL 29 N -0.05 1.71 0.04 3.54 1.01 -1.26 -0.84 120.40 124.54 1jdi s VAL 29 Ca 0.05 -1.43 -0.07 0.00 0.00 0.00 0.00 61.98 60.53 1jdi s VAL 29 Cb -0.04 -1.53 -0.00 0.00 0.00 0.00 0.00 36.38 34.80 1jdi s VAL 29 CO -0.10 0.03 0.14 -0.94 0.00 0.00 0.00 175.10 174.23 1jdi s SER 30 N -1.66 0.11 0.03 3.32 1.04 -0.28 -2.33 113.70 113.92 1jdi s SER 30 Ca 0.07 -0.44 0.03 0.00 0.48 0.00 0.00 55.95 56.09 1jdi s SER 30 Cb -0.10 0.25 -0.02 0.00 0.10 0.00 0.00 66.02 66.25 1jdi s SER 30 CO 0.03 -0.52 -0.09 0.00 0.98 0.00 0.00 173.24 173.65 1jdi s ALA 31 N -2.48 0.71 0.32 5.32 0.00 -0.44 -0.63 121.76 124.55 1jdi s ALA 31 Ca -0.06 -0.66 0.07 0.00 0.00 0.00 0.00 51.96 51.32 1jdi s ALA 31 Cb -0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 1jdi s ALA 31 CO -0.04 0.08 0.33 0.54 0.00 0.00 0.00 175.76 176.67 1jdi s VAL 32 N -0.93 3.86 -0.38 0.00 0.11 -0.20 -0.84 120.40 122.02 1jdi s VAL 32 Ca -0.04 -1.26 0.02 0.00 -2.93 0.00 0.00 61.98 57.77 1jdi s VAL 32 Cb -0.07 -3.30 0.15 0.00 -1.53 0.00 0.00 36.38 31.62 1jdi s VAL 32 CO 0.01 -0.20 0.26 -0.62 -3.33 0.00 0.00 175.10 171.22 1jdi s ASP 33 N -4.02 2.50 0.16 3.54 3.68 0.07 -4.96 116.67 117.65 1jdi s ASP 33 Ca 0.41 -2.56 -0.19 0.00 2.13 0.00 0.00 52.55 52.34 1jdi s ASP 33 Cb -0.07 -0.48 0.09 0.00 -1.45 0.00 0.00 42.92 41.01 1jdi s ASP 33 CO 0.28 -0.25 1.65 0.03 0.13 0.00 0.00 175.17 177.00 1jdi h ARG 34 N 6.48 -0.09 -0.61 4.34 -0.00 -1.97 -1.44 114.38 121.09 1jdi h ARG 34 Ca 0.13 0.01 0.13 0.00 -0.50 0.00 0.00 59.98 59.74 1jdi h ARG 34 Cb 0.94 0.02 -0.10 0.00 0.00 0.00 0.00 29.97 30.83 1jdi h ARG 34 CO 0.32 -0.06 0.05 0.93 0.00 0.00 0.00 179.97 181.21 1jdi h GLU 35 N -0.09 0.16 -0.00 0.04 5.08 -1.96 0.18 114.58 117.99 1jdi h GLU 35 Ca 0.18 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1jdi h GLU 35 Cb 0.37 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1jdi h GLU 35 CO -0.43 0.10 -0.03 0.54 -1.00 0.00 0.00 179.01 178.19 1jdi n ARG 36 N -5.23 0.68 -3.68 2.33 5.12 -1.00 -4.93 116.66 109.95 1jdi n ARG 36 Ca 0.09 -0.09 -0.22 0.00 -1.93 0.00 0.00 57.85 55.70 1jdi n ARG 36 Cb 0.35 -1.50 0.05 0.00 -1.16 0.00 0.00 32.46 30.20 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 1.21 -0.37 3.32 -0.13 0.00 0.63 -4.99 105.19 104.86 1jdi n GLY 37 Ca 0.17 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.50 0.07 0.02 1.61 0.11 -1.04 -2.57 120.40 115.09 1jdi s VAL 38 Ca 0.19 -0.66 0.00 0.00 -2.93 0.00 0.00 61.98 58.58 1jdi s VAL 38 Cb -0.09 -1.23 -0.02 0.00 -1.53 0.00 0.00 36.38 33.51 1jdi s VAL 38 CO 0.79 -0.33 -0.03 0.72 -3.33 0.00 0.00 175.10 172.92 1jdi s PHE 39 N -3.82 0.29 -0.16 1.54 -0.71 -0.32 -0.75 117.98 114.05 1jdi s PHE 39 Ca 0.04 -0.43 -0.07 0.00 -1.04 0.00 0.00 56.93 55.43 1jdi s PHE 39 Cb 0.02 -0.20 -0.04 0.00 -1.21 0.00 0.00 43.02 41.59 1jdi s PHE 39 CO -0.11 -0.14 0.07 0.08 -1.34 0.00 0.00 175.22 173.78 1jdi s VAL 40 N -1.18 4.87 0.07 -2.49 1.01 -0.02 -0.67 120.40 121.98 1jdi s VAL 40 Ca -0.12 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.86 1jdi s VAL 40 Cb -0.08 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 1jdi s VAL 40 CO -0.01 0.50 -0.06 -0.51 0.00 0.00 0.00 175.10 175.02 1jdi s ILE 41 N 0.01 0.55 0.51 2.22 2.07 -0.23 -1.33 121.20 125.00 1jdi s ILE 41 Ca 0.06 -1.58 -0.22 0.00 -1.41 0.00 0.00 60.65 57.50 1jdi s ILE 41 Cb -0.12 -1.23 -0.07 0.00 0.13 0.00 0.00 42.46 41.17 1jdi s ILE 41 CO 0.01 -0.71 1.15 1.17 -1.91 0.00 0.00 174.94 174.65 1jdi n LYS 42 N 0.56 1.44 -2.40 3.50 4.81 -0.98 -1.69 118.16 123.41 1jdi n LYS 42 Ca -0.17 0.53 -0.30 0.00 -0.87 0.00 0.00 58.31 57.50 1jdi n LYS 42 Cb 0.58 -2.30 -0.01 0.00 0.02 0.00 0.00 35.03 33.32 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 3.70 -0.03 1.64 0.04 -1.26 -1.55 135.00 135.04 1jdi s PRO 43 Ca 0.69 0.60 -0.17 0.00 0.04 0.00 0.00 61.00 62.16 1jdi s PRO 43 Cb -0.47 -2.23 -0.05 0.00 0.04 0.00 0.00 34.50 31.79 1jdi s PRO 43 CO 0.52 -0.29 0.46 0.45 0.04 0.00 0.00 177.00 178.18 1jdi s SER 44 N -3.68 6.82 -0.08 6.66 0.15 0.14 -4.37 113.70 119.34 1jdi s SER 44 Ca 0.53 0.97 -0.00 0.00 0.70 0.00 0.00 55.95 58.15 1jdi s SER 44 Cb -0.10 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 1jdi s SER 44 CO 0.42 0.20 0.02 0.61 1.20 0.00 0.00 173.24 175.69 1jdi n GLY 45 N 2.31 0.56 2.78 9.45 0.00 -1.26 -4.60 105.19 114.43 1jdi n GLY 45 Ca -0.11 -0.76 -0.21 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.44 0.30 0.55 1.61 1.01 -1.26 -5.13 120.40 115.03 1jdi s VAL 46 Ca 0.01 0.12 -0.21 0.00 0.00 0.00 0.00 61.98 61.90 1jdi s VAL 46 Cb -0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 36.38 35.88 1jdi s VAL 46 CO 0.01 0.22 1.25 -1.81 0.00 0.00 0.00 175.10 174.78 1jdi s ASP 47 N 1.67 5.42 0.48 3.32 1.01 -1.26 -4.86 116.67 122.45 1jdi s ASP 47 Ca -0.00 2.49 0.14 0.00 0.71 0.00 0.00 52.55 55.89 1jdi s ASP 47 Cb -0.13 -2.61 1.13 0.00 1.01 0.00 0.00 42.92 42.32 1jdi s ASP 47 CO -0.04 -1.44 2.09 1.88 0.21 0.00 0.00 175.17 177.87 1jdi h TYR 48 N 1.32 0.09 0.00 4.23 0.05 -1.97 -2.07 116.97 118.63 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 1.29 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 39.00 1jdi h TYR 48 CO 0.48 0.10 0.00 -1.13 -1.05 0.00 0.00 178.16 176.56 1jdi n SER 49 N -4.47 0.00 0.00 3.88 3.41 -1.26 -3.35 113.62 111.82 1jdi n SER 49 Ca -0.02 -0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.21 1jdi n SER 49 Cb 0.13 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 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 -1.17 0.00 -1.66 -1.33 2.08 -0.93 -5.06 119.36 111.29 1jdi n ILE 50 Ca 0.15 -0.16 -0.46 0.00 0.56 0.00 0.00 62.75 62.84 1jdi n ILE 50 Cb 0.16 0.64 -0.04 0.00 -0.75 0.00 0.00 39.64 39.66 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 -1.10 1.98 -4.28 0.38 1.56 -0.82 -5.02 117.12 109.82 1jdi n MET 51 Ca 0.00 0.71 -0.16 0.00 -0.27 0.00 0.00 57.70 57.98 1jdi n MET 51 Cb 0.00 -2.41 -0.10 0.00 2.15 0.00 0.00 33.22 32.86 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 0.43 1.36 0.57 1.12 -4.23 -1.26 -5.03 115.64 108.59 1jdi s THR 52 Ca 0.75 -2.10 0.29 0.00 -1.18 0.00 0.00 61.69 59.44 1jdi s THR 52 Cb -0.70 -1.90 0.40 0.00 1.34 0.00 0.00 72.50 71.64 1jdi s THR 52 CO 0.44 -0.69 1.93 0.00 -0.54 0.00 0.00 174.62 175.76 1jdi h ALA 53 N 2.73 2.35 0.00 3.99 0.00 -1.95 0.76 119.26 127.14 1jdi h ALA 53 Ca -0.37 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 1jdi h ALA 53 Cb 1.20 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1jdi h ALA 53 CO 0.63 -0.75 -0.41 -0.44 0.00 0.00 0.00 179.25 178.28 1jdi h ASP 54 N 0.00 0.00 0.84 0.00 5.19 -1.96 -2.91 116.42 117.58 1jdi h ASP 54 Ca 0.26 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.65 1jdi h ASP 54 Cb 1.20 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.71 1jdi h ASP 54 CO -0.00 0.41 -0.06 0.44 -3.12 0.00 0.00 179.24 176.90 1jdi h ASP 55 N 0.00 0.00 -4.07 6.45 3.45 -1.25 -3.43 116.42 117.58 1jdi h ASP 55 Ca -0.00 0.00 -0.55 0.00 0.43 0.00 0.00 57.03 56.91 1jdi h ASP 55 Cb 0.78 0.00 0.14 0.00 -0.56 0.00 0.00 39.33 39.69 1jdi h ASP 55 CO 0.05 0.06 0.57 -0.04 -1.57 0.00 0.00 179.24 178.32 1jdi s MET 56 N -3.76 3.00 -0.06 3.56 -1.94 -1.10 -4.26 119.30 114.73 1jdi s MET 56 Ca 0.00 2.16 0.03 0.00 -1.71 0.00 0.00 55.69 56.17 1jdi s MET 56 Cb 0.10 -2.14 -0.03 0.00 2.01 0.00 0.00 34.83 34.78 1jdi s MET 56 CO 0.56 -1.28 -0.13 0.08 -0.01 0.00 0.00 175.02 174.24 1jdi s VAL 57 N -1.35 3.16 -0.24 -6.03 1.01 -0.68 -4.72 120.40 111.56 1jdi s VAL 57 Ca 0.74 -0.68 -0.10 0.00 0.00 0.00 0.00 61.98 61.94 1jdi s VAL 57 Cb -0.39 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 1jdi s VAL 57 CO 0.44 0.59 0.16 -0.69 0.00 0.00 0.00 175.10 175.60 1jdi s VAL 58 N -0.66 5.35 0.00 2.92 1.01 -0.04 -1.06 120.40 127.91 1jdi s VAL 58 Ca 0.10 0.18 0.06 0.00 0.00 0.00 0.00 61.98 62.31 1jdi s VAL 58 Cb -0.11 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 1jdi s VAL 58 CO 0.01 0.35 -0.18 -0.69 0.00 0.00 0.00 175.10 174.59 1jdi s VAL 59 N 1.05 1.40 0.04 2.92 1.01 0.15 -0.29 120.40 126.67 1jdi s VAL 59 Ca 0.07 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 60.89 1jdi s VAL 59 Cb -0.13 -1.19 -0.06 0.00 0.00 0.00 0.00 36.38 35.00 1jdi s VAL 59 CO 0.04 0.31 1.32 -0.55 0.00 0.00 0.00 175.10 176.23 1jdi s SER 60 N -0.64 6.93 0.17 3.32 0.15 0.53 -1.17 113.70 122.98 1jdi s SER 60 Ca 0.06 2.11 -0.10 0.00 0.70 0.00 0.00 55.95 58.72 1jdi s SER 60 Cb -0.07 -2.57 0.07 0.00 -1.71 0.00 0.00 66.02 61.73 1jdi s SER 60 CO 0.00 -0.62 1.66 0.40 1.20 0.00 0.00 173.24 175.88 1jdi h ILE 61 N 4.66 1.26 -0.05 6.45 2.04 -1.84 0.46 117.51 130.49 1jdi h ILE 61 Ca -0.39 -1.01 -0.02 0.00 1.00 0.00 0.00 64.86 64.43 1jdi h ILE 61 Cb 1.19 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1jdi h ILE 61 CO 0.87 0.37 -0.06 -0.08 0.00 0.00 0.00 178.15 179.25 1jdi h GLU 62 N 0.91 0.13 0.00 2.37 4.81 -1.92 -3.37 114.58 117.51 1jdi h GLU 62 Ca 0.18 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1jdi h GLU 62 Cb 0.44 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1jdi h GLU 62 CO 0.01 0.60 -0.95 0.25 -0.73 0.00 0.00 179.01 178.20 1jdi n THR 63 N -4.73 0.00 -1.20 0.32 -2.24 -1.24 -4.97 114.28 100.22 1jdi n THR 63 Ca -0.08 -0.14 -0.07 0.00 -2.27 0.00 0.00 64.05 61.49 1jdi n THR 63 Cb 0.30 0.87 -0.03 0.00 -2.10 0.00 0.00 70.33 69.38 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 1.42 0.81 3.85 3.38 0.00 0.16 -4.97 105.19 109.84 1jdi n GLY 64 Ca 0.02 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.27 3.96 -0.22 1.61 2.56 -1.25 -4.72 118.70 118.37 1jdi s GLU 65 Ca 0.00 0.48 -0.29 0.00 0.00 0.00 0.00 54.97 55.16 1jdi s GLU 65 Cb 0.00 -2.81 -0.01 0.00 2.00 0.00 0.00 34.13 33.31 1jdi s GLU 65 CO 0.00 0.40 1.32 0.54 -0.56 0.00 0.00 175.26 176.96 1jdi s VAL 66 N -1.60 4.16 0.02 3.70 0.11 -1.26 -0.35 120.40 125.18 1jdi s VAL 66 Ca 0.42 1.36 0.04 0.00 -2.93 0.00 0.00 61.98 60.87 1jdi s VAL 66 Cb -0.14 -4.02 -0.25 0.00 -1.53 0.00 0.00 36.38 30.45 1jdi s VAL 66 CO 0.20 -0.27 0.91 0.58 -3.33 0.00 0.00 175.10 173.19 1jdi h VAL 67 N 5.72 1.22 -1.94 2.04 2.07 -0.99 -3.48 116.25 120.88 1jdi h VAL 67 Ca -0.27 -2.93 -0.03 0.00 0.82 0.00 0.00 66.70 64.28 1jdi h VAL 67 Cb 1.11 2.69 -0.21 0.00 -1.52 0.00 0.00 31.29 33.36 1jdi h VAL 67 CO 1.00 0.78 0.20 -0.70 0.02 0.00 0.00 177.57 178.86 1jdi s GLU 68 N -2.64 0.86 0.00 1.57 2.12 -1.16 -5.01 118.70 114.45 1jdi s GLU 68 Ca -0.05 0.71 0.00 0.00 0.36 0.00 0.00 54.97 55.98 1jdi s GLU 68 Cb 0.08 0.41 0.00 0.00 0.26 0.00 0.00 34.13 34.88 1jdi s GLU 68 CO 0.83 -0.17 0.00 0.41 -0.54 0.00 0.00 175.26 175.80 1jdi n GLY 69 N 2.04 4.57 0.17 -1.50 0.00 -1.26 -0.86 105.19 108.34 1jdi n GLY 69 Ca -0.15 -1.00 0.10 0.00 0.00 0.00 0.00 46.02 44.97 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 0.76 -2.02 4.61 0.00 -1.87 -3.47 119.26 117.27 1jdi h ALA 70 Ca 0.00 -0.10 -0.47 0.00 0.00 0.00 0.00 54.91 54.34 1jdi h ALA 70 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1jdi h ALA 70 CO 0.00 0.12 -0.43 0.15 0.00 0.00 0.00 179.25 179.09 1jdi s LYS 71 N -3.22 3.13 0.18 0.00 1.02 -1.26 -5.09 119.74 114.49 1jdi s LYS 71 Ca 0.03 -0.98 -0.30 0.00 0.02 0.00 0.00 55.97 54.74 1jdi s LYS 71 Cb 0.07 -2.74 -0.08 0.00 -0.52 0.00 0.00 37.83 34.57 1jdi s LYS 71 CO 0.73 0.26 1.09 0.21 -0.92 0.00 0.00 175.35 176.72 1jdi s LYS 72 N -4.01 4.61 0.82 1.68 2.20 -1.26 -4.89 119.74 118.88 1jdi s LYS 72 Ca 0.38 1.70 -0.11 0.00 -0.36 0.00 0.00 55.97 57.58 1jdi s LYS 72 Cb -0.08 -3.28 0.08 0.00 -1.51 0.00 0.00 37.83 33.04 1jdi s LYS 72 CO 0.28 0.11 1.09 -1.25 -0.36 0.00 0.00 175.35 175.22 1jdi s PRO 73 N -0.45 1.92 0.40 4.03 0.04 -1.26 0.25 135.00 139.92 1jdi s PRO 73 Ca 0.49 0.93 -0.25 0.00 0.04 0.00 0.00 61.00 62.21 1jdi s PRO 73 Cb -0.29 -1.88 -0.11 0.00 0.04 0.00 0.00 34.50 32.27 1jdi s PRO 73 CO 0.35 -1.81 1.14 0.45 0.04 0.00 0.00 177.00 177.17 1jdi n SER 74 N -3.61 1.94 0.00 6.66 2.88 -0.60 -3.90 113.62 117.00 1jdi n SER 74 Ca 0.08 1.10 0.02 0.00 -1.33 0.00 0.00 58.87 58.74 1jdi n SER 74 Cb 0.54 -1.42 0.10 0.00 -0.75 0.00 0.00 64.21 62.68 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 0.48 0.01 -0.76 -3.46 3.41 -1.26 -0.92 113.62 111.11 1jdi n SER 75 Ca 0.08 0.50 0.12 0.00 -0.26 0.00 0.00 58.87 59.31 1jdi n SER 75 Cb 0.38 -0.50 0.32 0.00 -0.26 0.00 0.00 64.21 64.14 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 -1.51 2.32 -0.26 4.04 10.43 -1.26 -4.52 116.55 125.79 1jdi n ASP 76 Ca 0.01 -1.78 0.07 0.00 2.57 0.00 0.00 54.79 55.66 1jdi n ASP 76 Cb 0.05 -0.08 0.20 0.00 1.84 0.00 0.00 41.12 43.13 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 3.33 0.43 -0.97 -3.53 2.02 -1.37 -1.22 112.91 111.59 1jdi h THR 77 Ca 0.00 -0.07 0.09 0.00 0.77 0.00 0.00 66.41 67.20 1jdi h THR 77 Cb 0.72 0.20 -0.07 0.00 -1.74 0.00 0.00 68.15 67.25 1jdi h THR 77 CO 0.00 0.04 0.62 -0.65 0.37 0.00 0.00 175.52 175.90 1jdi h PRO 78 N 0.21 1.00 -0.41 6.66 0.11 -1.84 0.62 132.00 138.35 1jdi h PRO 78 Ca 0.44 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.46 1jdi h PRO 78 Cb 0.80 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.66 1jdi h PRO 78 CO -0.58 0.66 0.12 1.15 -0.21 0.00 0.00 178.00 179.14 1jdi h THR 79 N 1.03 1.22 0.33 -1.15 2.02 -1.26 -0.85 112.91 114.25 1jdi h THR 79 Ca 0.44 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 1jdi h THR 79 Cb 0.33 0.92 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1jdi h THR 79 CO -0.20 0.26 -0.19 0.45 0.37 0.00 0.00 175.52 176.21 1jdi h HIS 80 N 0.52 -0.51 -0.32 3.16 3.86 -1.02 -1.92 115.15 118.93 1jdi h HIS 80 Ca 0.13 -0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.41 1jdi h HIS 80 Cb 0.27 0.18 -0.07 0.00 1.06 0.00 0.00 27.41 28.85 1jdi h HIS 80 CO 0.01 -0.31 -0.16 -0.09 0.86 0.00 0.00 177.93 178.25 1jdi h ARG 81 N -0.50 -0.10 -0.43 2.45 2.43 -0.79 -0.62 114.38 116.82 1jdi h ARG 81 Ca -0.04 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.19 1jdi h ARG 81 Cb 0.41 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.94 1jdi h ARG 81 CO 0.05 -0.07 0.15 1.25 -1.51 0.00 0.00 179.97 179.84 1jdi h LEU 82 N -0.11 0.17 -0.80 3.80 7.12 -1.05 -1.98 115.31 122.45 1jdi h LEU 82 Ca 0.16 0.05 -0.00 0.00 0.13 0.00 0.00 57.88 58.22 1jdi h LEU 82 Cb 0.36 0.03 -0.04 0.00 -0.53 0.00 0.00 40.66 40.48 1jdi h LEU 82 CO -0.39 0.13 0.48 -0.07 -0.13 0.00 0.00 178.44 178.47 1jdi h LEU 83 N 0.32 0.97 -0.99 2.25 3.38 -0.58 0.27 115.31 120.94 1jdi h LEU 83 Ca 0.20 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1jdi h LEU 83 Cb 0.18 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1jdi h LEU 83 CO -0.20 0.75 0.37 1.88 0.09 0.00 0.00 178.44 181.33 1jdi h TYR 84 N 1.10 1.08 -0.25 1.13 0.05 -0.67 0.12 116.97 119.54 1jdi h TYR 84 Ca 0.29 -0.04 -0.10 0.00 0.05 0.00 0.00 58.73 58.92 1jdi h TYR 84 Cb -0.04 -0.34 -0.00 0.00 1.01 0.00 0.00 36.73 37.36 1jdi h TYR 84 CO -0.01 0.78 -0.25 1.96 -1.05 0.00 0.00 178.16 179.60 1jdi h GLN 85 N 1.08 0.61 -0.09 4.88 4.20 -0.81 -3.31 115.11 121.67 1jdi h GLN 85 Ca 0.26 -0.32 -0.19 0.00 0.06 0.00 0.00 58.65 58.46 1jdi h GLN 85 Cb 0.10 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 1jdi h GLN 85 CO -0.03 0.92 -0.76 0.00 -0.67 0.00 0.00 178.83 178.29 1jdi h ALA 86 N 0.68 0.52 -3.37 3.87 0.00 -0.72 -3.40 119.26 116.85 1jdi h ALA 86 Ca 0.04 -0.61 -0.68 0.00 0.00 0.00 0.00 54.91 53.66 1jdi h ALA 86 Cb 0.80 -0.05 -0.37 0.00 0.00 0.00 0.00 17.79 18.17 1jdi h ALA 86 CO 0.06 0.75 -0.60 -0.06 0.00 0.00 0.00 179.25 179.41 1jdi s PHE 87 N -3.61 3.58 0.29 0.00 0.08 0.40 -4.98 117.98 113.74 1jdi s PHE 87 Ca -0.07 -2.76 0.01 0.00 0.12 0.00 0.00 56.93 54.23 1jdi s PHE 87 Cb 0.10 -3.07 0.53 0.00 -0.57 0.00 0.00 43.02 40.01 1jdi s PHE 87 CO 0.85 -0.92 1.89 -1.35 -0.10 0.00 0.00 175.22 175.59 1jdi h PRO 88 N 7.57 1.00 -0.14 0.24 0.11 -1.79 -3.07 132.00 135.92 1jdi h PRO 88 Ca -0.08 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.93 1jdi h PRO 88 Cb 1.01 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 1jdi h PRO 88 CO 0.64 0.66 -0.12 0.66 -0.21 0.00 0.00 178.00 179.63 1jdi h SER 89 N 1.03 0.21 -3.90 -2.05 4.64 -1.93 -3.45 113.55 108.10 1jdi h SER 89 Ca 0.42 -0.04 -0.51 0.00 -0.47 0.00 0.00 61.79 61.20 1jdi h SER 89 Cb 0.28 -0.05 0.05 0.00 -0.31 0.00 0.00 62.40 62.37 1jdi h SER 89 CO -0.18 0.35 0.53 0.27 -0.87 0.00 0.00 176.83 176.93 1jdi s ILE 90 N -4.75 3.13 0.00 0.95 -4.36 -1.16 -4.78 121.20 110.23 1jdi s ILE 90 Ca -0.05 1.02 0.00 0.00 -0.26 0.00 0.00 60.65 61.36 1jdi s ILE 90 Cb 0.16 -3.60 0.00 0.00 1.25 0.00 0.00 42.46 40.26 1jdi s ILE 90 CO 0.73 0.16 0.10 0.61 0.24 0.00 0.00 174.94 176.77 1jdi n GLY 91 N 0.77 0.51 3.28 6.27 0.00 0.65 -4.92 105.19 111.76 1jdi n GLY 91 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.64 -0.26 -0.01 -0.02 0.00 -0.63 -1.04 107.32 104.72 1jdi s GLY 92 Ca 0.00 0.79 0.03 0.00 0.00 0.00 0.00 44.72 45.54 1jdi s GLY 92 CO 0.00 0.59 -0.10 -0.42 0.00 0.00 0.00 173.10 173.17 1jdi s ILE 93 N -0.57 0.84 -0.06 0.90 1.01 0.20 -1.39 121.20 122.13 1jdi s ILE 93 Ca -0.07 -0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.17 1jdi s ILE 93 Cb -0.04 -0.72 0.01 0.00 0.01 0.00 0.00 42.46 41.73 1jdi s ILE 93 CO 0.03 0.25 -0.11 -0.69 0.00 0.00 0.00 174.94 174.41 1jdi s VAL 94 N -0.10 1.03 -0.08 2.92 1.01 0.72 -1.13 120.40 124.77 1jdi s VAL 94 Ca 0.02 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.59 1jdi s VAL 94 Cb -0.06 -0.94 0.01 0.00 0.00 0.00 0.00 36.38 35.39 1jdi s VAL 94 CO -0.00 0.33 -0.16 -2.28 0.00 0.00 0.00 175.10 172.98 1jdi s HIS 95 N 0.61 1.88 0.26 5.22 5.04 -0.02 -0.42 115.29 127.87 1jdi s HIS 95 Ca -0.12 -0.76 -0.06 0.00 -1.54 0.00 0.00 55.06 52.58 1jdi s HIS 95 Cb -0.15 -1.32 -0.01 0.00 0.04 0.00 0.00 32.58 31.14 1jdi s HIS 95 CO 0.03 -0.35 0.38 0.95 -2.34 0.00 0.00 174.74 173.40 1jdi s THR 96 N 0.61 0.00 -0.30 0.89 -4.23 -1.19 -0.46 115.64 110.96 1jdi s THR 96 Ca -0.15 -1.64 0.08 0.00 -1.18 0.00 0.00 61.69 58.80 1jdi s THR 96 Cb -0.16 -2.42 0.46 0.00 1.34 0.00 0.00 72.50 71.72 1jdi s THR 96 CO 0.05 0.00 1.17 1.41 -0.54 0.00 0.00 174.62 176.71 1jdi n HIS 97 N -0.41 2.70 -1.69 3.99 8.25 -1.26 -3.39 115.22 123.42 1jdi n HIS 97 Ca 0.00 -2.32 -0.52 0.00 -0.26 0.00 0.00 57.72 54.63 1jdi n HIS 97 Cb 0.63 -0.30 -0.06 0.00 1.12 0.00 0.00 29.99 31.38 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 -0.67 3.02 -0.06 0.41 3.41 -1.14 -4.71 113.62 113.87 1jdi n SER 98 Ca 0.40 1.02 -0.02 0.00 -0.26 0.00 0.00 58.87 60.01 1jdi n SER 98 Cb 0.92 -1.29 -0.02 0.00 -0.26 0.00 0.00 64.21 63.57 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 5.95 -0.07 0.06 4.33 1.74 -1.26 -0.91 116.66 126.50 1jdi n ARG 99 Ca 0.24 0.32 -0.10 0.00 -0.77 0.00 0.00 57.85 57.53 1jdi n ARG 99 Cb 0.23 -0.47 0.01 0.00 -1.02 0.00 0.00 32.46 31.22 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 0.51 -0.43 -1.55 3.86 -1.88 -0.36 115.15 115.30 1jdi h HIS 100 Ca 0.02 -0.24 -0.12 0.00 -1.16 0.00 0.00 60.37 58.87 1jdi h HIS 100 Cb 0.06 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 1jdi h HIS 100 CO -0.24 1.02 -0.22 0.00 0.86 0.00 0.00 177.93 179.35 1jdi h ALA 101 N 0.91 0.80 -0.08 2.45 0.00 -1.60 -2.41 119.26 119.34 1jdi h ALA 101 Ca -0.04 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 1jdi h ALA 101 Cb 1.38 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1jdi h ALA 101 CO 0.13 0.65 -0.32 1.15 0.00 0.00 0.00 179.25 180.86 1jdi h THR 102 N 0.76 1.26 -0.48 0.00 2.02 -0.91 -2.01 112.91 113.55 1jdi h THR 102 Ca 0.10 -1.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.04 1jdi h THR 102 Cb 0.76 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.71 1jdi h THR 102 CO 0.06 0.36 0.26 0.40 0.37 0.00 0.00 175.52 176.97 1jdi h ILE 103 N 0.13 1.17 -0.42 3.11 2.04 -0.57 0.12 117.51 123.08 1jdi h ILE 103 Ca 0.02 -0.44 -0.10 0.00 1.00 0.00 0.00 64.86 65.34 1jdi h ILE 103 Cb 0.64 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 1jdi h ILE 103 CO 0.05 0.18 -0.13 -0.50 0.00 0.00 0.00 178.15 177.75 1jdi h TRP 104 N 0.63 0.85 -0.37 1.37 4.06 -1.16 -1.86 115.95 119.48 1jdi h TRP 104 Ca 0.17 -0.16 -0.01 0.00 2.06 0.00 0.00 58.89 60.95 1jdi h TRP 104 Cb 0.06 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 27.99 1jdi h TRP 104 CO -0.02 0.85 0.20 0.00 -3.56 0.00 0.00 178.44 175.92 1jdi h ALA 105 N 1.16 0.47 -0.13 1.49 0.00 -0.73 -0.58 119.26 120.94 1jdi h ALA 105 Ca 0.11 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1jdi h ALA 105 Cb 0.61 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1jdi h ALA 105 CO 0.04 -0.00 -0.26 1.96 0.00 0.00 0.00 179.25 180.99 1jdi h GLN 106 N 0.47 0.24 0.00 0.00 4.20 -0.67 0.13 115.11 119.47 1jdi h GLN 106 Ca 0.13 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1jdi h GLN 106 Cb 0.06 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1jdi h GLN 106 CO -0.02 0.49 0.00 0.00 -0.67 0.00 0.00 178.83 178.63 1jdi n ALA 107 N -2.48 2.25 -3.38 3.87 0.00 -0.71 -4.52 120.51 115.54 1jdi n ALA 107 Ca -0.01 -0.10 -0.23 0.00 0.00 0.00 0.00 53.44 53.10 1jdi n ALA 107 Cb 0.37 -1.43 0.06 0.00 0.00 0.00 0.00 19.45 18.45 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 1.16 -0.50 3.31 0.00 0.00 -0.29 -5.00 105.19 103.87 1jdi n GLY 108 Ca 0.08 0.19 -0.24 0.00 0.00 0.00 0.00 46.02 46.06 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 -6.08 1.19 0.24 1.61 -0.21 -0.83 -5.00 119.66 110.57 1jdi s GLN 109 Ca 0.48 -1.24 -0.17 0.00 0.02 0.00 0.00 55.36 54.45 1jdi s GLN 109 Cb -0.21 -1.41 -0.08 0.00 1.00 0.00 0.00 33.01 32.31 1jdi s GLN 109 CO 0.59 0.32 0.69 -1.12 -2.12 0.00 0.00 175.29 173.65 1jdi s SER 110 N -2.13 6.92 -0.44 5.90 0.01 -1.26 -4.57 113.70 118.13 1jdi s SER 110 Ca 0.10 1.31 -0.23 0.00 1.31 0.00 0.00 55.95 58.43 1jdi s SER 110 Cb -0.09 -2.38 0.02 0.00 0.21 0.00 0.00 66.02 63.79 1jdi s SER 110 CO 0.05 -0.03 0.80 -0.63 0.41 0.00 0.00 173.24 173.84 1jdi s ILE 111 N -1.66 4.64 0.51 1.44 1.01 -0.68 -4.93 121.20 121.54 1jdi s ILE 111 Ca 0.46 0.49 -0.19 0.00 0.00 0.00 0.00 60.65 61.41 1jdi s ILE 111 Cb -0.14 -4.32 -0.07 0.00 0.01 0.00 0.00 42.46 37.93 1jdi s ILE 111 CO 0.20 -0.71 1.04 -2.16 0.00 0.00 0.00 174.94 173.31 1jdi s PRO 112 N 3.32 3.70 -0.48 2.79 0.04 -1.26 -1.29 135.00 141.82 1jdi s PRO 112 Ca 0.31 1.30 -0.29 0.00 0.04 0.00 0.00 61.00 62.36 1jdi s PRO 112 Cb -0.12 -2.08 0.03 0.00 0.04 0.00 0.00 34.50 32.37 1jdi s PRO 112 CO 0.23 -0.51 1.13 0.00 0.04 0.00 0.00 177.00 177.89 1jdi s ALA 113 N -2.12 3.15 0.00 8.56 0.00 -1.26 -4.83 121.76 125.26 1jdi s ALA 113 Ca 0.66 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.13 1jdi s ALA 113 Cb -0.16 -3.89 0.00 0.00 0.00 0.00 0.00 23.12 19.07 1jdi s ALA 113 CO 0.24 -2.26 0.73 0.25 0.00 0.00 0.00 175.76 174.72 1jdi n THR 114 N 6.84 0.52 -3.70 0.00 -2.24 -1.26 -0.82 114.28 113.62 1jdi n THR 114 Ca 0.12 -0.68 -0.11 0.00 -2.27 0.00 0.00 64.05 61.11 1jdi n THR 114 Cb 0.49 0.80 -0.06 0.00 -2.10 0.00 0.00 70.33 69.46 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 -0.52 -0.18 0.49 3.38 0.00 -1.26 -4.75 107.32 104.49 1jdi s GLY 115 Ca 0.00 -0.09 0.27 0.00 0.00 0.00 0.00 44.72 44.89 1jdi s GLY 115 CO 0.00 -0.33 1.98 -0.91 0.00 0.00 0.00 173.10 173.84 1jdi h THR 116 N 2.69 0.53 -0.32 0.90 1.35 -1.97 -1.50 112.91 114.59 1jdi h THR 116 Ca -0.33 -0.75 0.02 0.00 -0.55 0.00 0.00 66.41 64.80 1jdi h THR 116 Cb 1.23 1.51 -0.03 0.00 -1.73 0.00 0.00 68.15 69.13 1jdi h THR 116 CO 0.48 0.15 0.15 0.74 -0.25 0.00 0.00 175.52 176.80 1jdi h THR 117 N 0.00 0.98 -0.19 6.82 2.02 -2.00 -1.10 112.91 119.44 1jdi h THR 117 Ca -0.00 -0.11 -0.05 0.00 0.77 0.00 0.00 66.41 67.02 1jdi h THR 117 Cb 0.49 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1jdi h THR 117 CO 0.02 0.06 -0.07 -0.74 0.37 0.00 0.00 175.52 175.16 1jdi h HIS 118 N 0.32 0.43 -0.29 3.16 6.17 -1.82 -3.14 115.15 119.98 1jdi h HIS 118 Ca 0.13 -0.10 0.09 0.00 0.71 0.00 0.00 60.37 61.20 1jdi h HIS 118 Cb 0.05 -0.10 -0.01 0.00 2.52 0.00 0.00 27.41 29.87 1jdi h HIS 118 CO -0.10 0.65 0.22 0.00 0.71 0.00 0.00 177.93 179.42 1jdi h ALA 119 N 0.71 2.21 0.00 5.26 0.00 -0.94 0.19 119.26 126.69 1jdi h ALA 119 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1jdi h ALA 119 Cb 0.53 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1jdi h ALA 119 CO 0.02 -0.38 0.00 -0.44 0.00 0.00 0.00 179.25 178.46 1jdi h ASP 120 N 0.00 0.00 0.00 0.00 3.45 -1.15 -2.85 116.42 115.87 1jdi h ASP 120 Ca 0.14 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.60 1jdi h ASP 120 Cb 0.59 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.36 1jdi h ASP 120 CO -0.00 0.00 -0.73 -1.22 -1.57 0.00 0.00 179.24 175.71 1jdi n TYR 121 N -2.66 0.00 -4.00 4.55 4.02 -0.54 -4.84 117.16 113.70 1jdi n TYR 121 Ca 0.02 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.63 1jdi n TYR 121 Cb 0.32 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.47 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 -1.63 1.79 -1.38 -0.72 0.08 -0.06 -4.50 117.98 111.56 1jdi s PHE 122 Ca 0.00 -0.95 -0.16 0.00 0.12 0.00 0.00 56.93 55.95 1jdi s PHE 122 Cb 0.00 -1.39 0.05 0.00 -0.57 0.00 0.00 43.02 41.11 1jdi s PHE 122 CO 0.00 -0.57 2.00 0.98 -0.10 0.00 0.00 175.22 177.53 1jdi n TYR 123 N 4.81 4.07 0.00 0.36 9.36 -0.38 -4.29 117.16 131.08 1jdi n TYR 123 Ca -0.15 -2.91 0.00 0.00 3.32 0.00 0.00 57.90 58.16 1jdi n TYR 123 Cb 0.50 -2.60 0.00 0.00 -0.63 0.00 0.00 39.34 36.61 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 4.71 -0.35 3.71 2.98 0.00 -1.26 -4.89 105.19 110.09 1jdi n GLY 124 Ca 0.51 -2.20 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 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 2.64 -0.45 2.61 2.01 -1.26 -4.45 115.64 116.74 1jdi s THR 125 Ca 0.00 0.39 -0.29 0.00 0.31 0.00 0.00 61.69 62.10 1jdi s THR 125 Cb 0.00 -3.25 0.03 0.00 0.01 0.00 0.00 72.50 69.29 1jdi s THR 125 CO 0.00 0.02 1.10 -0.63 -0.69 0.00 0.00 174.62 174.42 1jdi s ILE 126 N 1.54 4.29 0.47 1.82 1.01 -0.41 -4.94 121.20 124.97 1jdi s ILE 126 Ca 0.72 1.27 -0.23 0.00 0.00 0.00 0.00 60.65 62.40 1jdi s ILE 126 Cb -0.44 -4.55 -0.07 0.00 0.01 0.00 0.00 42.46 37.41 1jdi s ILE 126 CO 0.32 -0.90 1.22 -2.16 0.00 0.00 0.00 174.94 173.42 1jdi s PRO 127 N 4.23 3.68 -0.12 2.79 0.04 -1.26 -1.68 135.00 142.69 1jdi s PRO 127 Ca 0.46 1.91 0.01 0.00 0.04 0.00 0.00 61.00 63.43 1jdi s PRO 127 Cb -0.08 -2.44 -0.01 0.00 0.04 0.00 0.00 34.50 32.01 1jdi s PRO 127 CO 0.28 -0.65 -0.17 0.00 0.04 0.00 0.00 177.00 176.50 1jdi s THR 129 N 0.29 2.64 0.92 0.00 -4.23 0.99 -4.89 115.64 111.36 1jdi s THR 129 Ca -0.12 0.21 -0.14 0.00 -1.18 0.00 0.00 61.69 60.45 1jdi s THR 129 Cb -0.16 -2.77 0.15 0.00 1.34 0.00 0.00 72.50 71.06 1jdi s THR 129 CO 0.06 -0.27 1.23 0.00 -0.54 0.00 0.00 174.62 175.10 1jdi s ARG 130 N -5.01 1.05 0.59 3.99 1.70 -1.26 -4.01 118.95 115.99 1jdi s ARG 130 Ca 0.63 -0.10 -0.17 0.00 -0.47 0.00 0.00 55.73 55.62 1jdi s ARG 130 Cb -0.17 -1.86 -0.03 0.00 -0.57 0.00 0.00 34.95 32.31 1jdi s ARG 130 CO 0.56 -2.19 1.12 0.15 -1.08 0.00 0.00 175.30 173.86 1jdi s LYS 131 N -5.65 3.13 0.37 3.89 1.02 -1.26 -4.52 119.74 116.72 1jdi s LYS 131 Ca 0.68 1.50 -0.16 0.00 0.02 0.00 0.00 55.97 58.01 1jdi s LYS 131 Cb -0.08 -1.98 -0.09 0.00 -0.52 0.00 0.00 37.83 35.15 1jdi s LYS 131 CO 0.52 -1.01 0.81 -1.64 -0.92 0.00 0.00 175.35 173.11 1jdi s MET 132 N -3.64 4.03 0.64 1.68 -1.94 -1.26 -5.06 119.30 113.75 1jdi s MET 132 Ca 0.70 0.78 -0.11 0.00 -1.71 0.00 0.00 55.69 55.35 1jdi s MET 132 Cb -0.22 -2.34 -0.02 0.00 2.01 0.00 0.00 34.83 34.25 1jdi s MET 132 CO 0.33 0.06 1.04 0.95 -0.01 0.00 0.00 175.02 177.39 1jdi s THR 133 N -2.12 4.35 0.32 2.05 -4.23 -1.26 -4.85 115.64 109.90 1jdi s THR 133 Ca 0.56 0.74 0.00 0.00 -1.18 0.00 0.00 61.69 61.81 1jdi s THR 133 Cb -0.10 -3.75 0.26 0.00 1.34 0.00 0.00 72.50 70.25 1jdi s THR 133 CO 0.19 -0.99 1.99 0.44 -0.54 0.00 0.00 174.62 175.71 1jdi h ASP 134 N -0.41 0.85 -0.43 3.99 3.32 -1.98 0.23 116.42 121.98 1jdi h ASP 134 Ca -0.44 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1jdi h ASP 134 Cb 1.21 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.53 1jdi h ASP 134 CO 0.63 0.61 0.29 0.00 -1.72 0.00 0.00 179.24 179.04 1jdi h ALA 135 N 1.54 0.55 -0.32 3.45 0.00 -1.97 0.78 119.26 123.29 1jdi h ALA 135 Ca 0.27 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1jdi h ALA 135 Cb -0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1jdi h ALA 135 CO -0.06 0.00 0.04 0.93 0.00 0.00 0.00 179.25 180.16 1jdi h GLU 136 N 0.59 0.53 -0.63 0.00 5.08 -1.72 -1.03 114.58 117.40 1jdi h GLU 136 Ca 0.16 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1jdi h GLU 136 Cb -0.07 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 1jdi h GLU 136 CO -0.04 0.63 0.18 0.82 -1.00 0.00 0.00 179.01 179.61 1jdi h ILE 137 N 0.36 1.25 -0.00 3.13 2.04 -0.75 -2.99 117.51 120.55 1jdi h ILE 137 Ca 0.10 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 65.08 1jdi h ILE 137 Cb 0.36 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1jdi h ILE 137 CO 0.01 0.33 -0.19 0.59 0.00 0.00 0.00 178.15 178.90 1jdi n ASN 138 N -4.35 0.35 0.00 1.72 3.02 0.25 -4.36 115.26 111.88 1jdi n ASN 138 Ca 0.04 -0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 1jdi n ASN 138 Cb 0.23 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 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 1.41 0.67 3.28 7.41 0.00 -0.40 -4.86 105.19 112.70 1jdi n GLY 139 Ca 0.10 -0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 3.37 -0.05 1.61 -0.58 -1.26 -4.89 120.64 118.83 1jdi n GLU 140 Ca 0.00 -3.58 -0.01 0.00 -0.42 0.00 0.00 57.16 53.14 1jdi n GLU 140 Cb 0.00 -3.10 -0.01 0.00 -0.57 0.00 0.00 31.44 27.75 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 5.67 -0.05 -0.24 -0.32 9.36 -1.25 0.60 117.16 130.93 1jdi n TYR 141 Ca 0.41 0.15 0.01 0.00 3.32 0.00 0.00 57.90 61.79 1jdi n TYR 141 Cb 0.41 -0.45 0.13 0.00 -0.63 0.00 0.00 39.34 38.81 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 0.54 -0.48 2.98 3.07 -1.90 0.40 114.58 119.20 1jdi h GLU 142 Ca 0.02 -0.03 -0.08 0.00 -0.50 0.00 0.00 59.36 58.77 1jdi h GLU 142 Cb 0.05 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.82 1jdi h GLU 142 CO -0.11 0.36 -0.01 2.35 -1.40 0.00 0.00 179.01 180.19 1jdi h TRP 143 N 0.56 0.93 -0.29 4.33 2.91 -1.66 -2.53 115.95 120.20 1jdi h TRP 143 Ca 0.34 -0.16 -0.06 0.00 1.13 0.00 0.00 58.89 60.14 1jdi h TRP 143 Cb 0.38 -0.24 -0.02 0.00 -0.51 0.00 0.00 29.16 28.77 1jdi h TRP 143 CO -0.12 0.89 -0.07 1.49 -1.03 0.00 0.00 178.44 179.59 1jdi h GLU 144 N 0.71 0.48 -0.93 2.65 4.57 0.12 -1.41 114.58 120.77 1jdi h GLU 144 Ca 0.13 -0.12 0.02 0.00 -1.18 0.00 0.00 59.36 58.21 1jdi h GLU 144 Cb 0.52 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 29.00 1jdi h GLU 144 CO 0.03 0.56 0.61 1.15 -1.18 0.00 0.00 179.01 180.18 1jdi h THR 145 N 0.45 1.21 -0.63 0.32 2.02 0.09 -0.74 112.91 115.63 1jdi h THR 145 Ca 0.09 -0.42 -0.04 0.00 0.77 0.00 0.00 66.41 66.81 1jdi h THR 145 Cb 0.41 -0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 66.67 1jdi h THR 145 CO 0.02 0.22 0.24 1.23 0.37 0.00 0.00 175.52 177.61 1jdi h GLY 146 N 1.23 1.03 1.00 2.16 0.00 -0.87 -2.52 103.07 105.09 1jdi h GLY 146 Ca 0.35 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 1jdi h GLY 146 CO -0.09 0.54 0.32 3.43 0.00 0.00 0.00 176.54 180.74 1jdi h ASN 147 N 0.89 0.82 -0.64 0.19 2.35 -0.55 -1.49 115.58 117.15 1jdi h ASN 147 Ca 0.21 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1jdi h ASN 147 Cb 0.22 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 1jdi h ASN 147 CO -0.01 0.70 0.40 0.58 -1.65 0.00 0.00 177.43 177.45 1jdi h VAL 148 N 0.87 1.18 -0.08 2.81 2.07 -0.99 0.24 116.25 122.35 1jdi h VAL 148 Ca 0.22 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 1jdi h VAL 148 Cb 0.09 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1jdi h VAL 148 CO -0.03 0.18 0.01 0.40 0.02 0.00 0.00 177.57 178.15 1jdi h ILE 149 N 0.88 1.23 -0.43 4.57 2.04 -1.00 -1.02 117.51 123.78 1jdi h ILE 149 Ca 0.23 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1jdi h ILE 149 Cb -0.06 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1jdi h ILE 149 CO -0.05 0.20 0.27 0.58 0.00 0.00 0.00 178.15 179.15 1jdi h VAL 150 N -0.12 1.12 -0.89 1.67 2.07 -0.72 -2.22 116.25 117.16 1jdi h VAL 150 Ca 0.02 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 67.34 1jdi h VAL 150 Cb 0.30 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 30.54 1jdi h VAL 150 CO 0.00 0.12 0.57 -0.08 0.02 0.00 0.00 177.57 178.20 1jdi h GLU 151 N 0.57 1.06 -0.35 1.57 4.81 -0.46 -0.73 114.58 121.06 1jdi h GLU 151 Ca 0.16 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.36 1jdi h GLU 151 Cb -0.04 -0.24 -0.04 0.00 0.63 0.00 0.00 28.75 29.06 1jdi h GLU 151 CO -0.03 0.70 0.11 1.15 -0.73 0.00 0.00 179.01 180.21 1jdi h THR 152 N 1.09 0.89 -0.36 0.32 2.02 -0.60 -0.02 112.91 116.24 1jdi h THR 152 Ca 0.36 -0.09 -0.11 0.00 0.77 0.00 0.00 66.41 67.34 1jdi h THR 152 Cb 0.05 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1jdi h THR 152 CO -0.13 0.05 -0.22 -0.26 0.37 0.00 0.00 175.52 175.32 1jdi h PHE 153 N 0.25 0.81 0.57 3.16 -1.00 -0.92 -2.60 116.94 117.21 1jdi h PHE 153 Ca 0.16 -0.18 -0.03 0.00 2.81 0.00 0.00 57.97 60.73 1jdi h PHE 153 Cb 0.14 -0.19 0.01 0.00 3.61 0.00 0.00 35.95 39.51 1jdi h PHE 153 CO -0.15 0.87 -0.27 0.93 -1.61 0.00 0.00 178.31 178.08 1jdi h GLU 154 N 0.63 -0.74 -0.05 1.51 5.08 -0.71 -0.16 114.58 120.14 1jdi h GLU 154 Ca 0.09 0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1jdi h GLU 154 Cb 0.72 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 1jdi h GLU 154 CO 0.06 -0.47 0.06 0.87 -1.00 0.00 0.00 179.01 178.52 1jdi h LYS 155 N -1.17 0.00 -0.14 2.33 1.57 -1.10 -1.21 116.57 116.85 1jdi h LYS 155 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1jdi h LYS 155 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1jdi h LYS 155 CO 0.13 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 180.05 1jdi n GLN 156 N -3.78 2.38 -3.66 3.15 6.02 -0.98 -4.99 117.38 115.53 1jdi n GLN 156 Ca -0.02 -2.04 -0.24 0.00 -0.01 0.00 0.00 57.00 54.69 1jdi n GLN 156 Cb 0.15 -1.48 0.06 0.00 1.02 0.00 0.00 30.24 30.00 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 -0.48 3.48 1.08 0.00 -0.46 -5.00 105.19 105.20 1jdi n GLY 157 Ca 0.16 0.21 -0.33 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.35 3.64 -0.27 -0.61 2.07 -0.17 -5.04 121.20 117.47 1jdi s ILE 158 Ca 0.46 -0.46 -0.29 0.00 -1.41 0.00 0.00 60.65 58.96 1jdi s ILE 158 Cb -0.21 -2.57 0.01 0.00 0.13 0.00 0.00 42.46 39.82 1jdi s ILE 158 CO 0.76 0.52 1.04 -0.62 -1.91 0.00 0.00 174.94 174.73 1jdi s ASP 159 N 0.20 7.01 0.62 4.50 3.68 -1.26 -4.66 116.67 126.76 1jdi s ASP 159 Ca -0.04 1.22 0.32 0.00 2.13 0.00 0.00 52.55 56.18 1jdi s ASP 159 Cb -0.14 -2.54 1.75 0.00 -1.45 0.00 0.00 42.92 40.55 1jdi s ASP 159 CO 0.03 -0.75 2.07 0.00 0.13 0.00 0.00 175.17 176.65 1jdi h ALA 160 N 7.73 1.59 0.00 3.66 0.00 -1.95 0.20 119.26 130.48 1jdi h ALA 160 Ca -0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.71 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 -0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.93 1jdi h ALA 161 N 1.64 1.00 -0.00 0.00 0.00 -1.99 -3.23 119.26 116.67 1jdi h ALA 161 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1jdi h ALA 161 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1jdi h ALA 161 CO -0.00 0.00 -0.39 1.04 0.00 0.00 0.00 179.25 179.90 1jdi n GLN 162 N -2.35 3.22 -3.50 0.00 6.02 0.63 -4.76 117.38 116.63 1jdi n GLN 162 Ca 0.05 -0.19 -0.27 0.00 -0.01 0.00 0.00 57.00 56.58 1jdi n GLN 162 Cb 0.41 -1.01 -0.10 0.00 1.02 0.00 0.00 30.24 30.56 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 -0.93 0.82 -0.13 -1.09 1.56 -0.80 -1.25 117.12 115.30 1jdi n MET 163 Ca 0.03 -3.61 0.00 0.00 -0.27 0.00 0.00 57.70 53.84 1jdi n MET 163 Cb 0.17 -1.81 0.00 0.00 2.15 0.00 0.00 33.22 33.73 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 2.31 0.50 -3.48 2.12 -0.04 -1.25 -4.73 135.00 130.43 1jdi n PRO 164 Ca 0.26 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.62 1jdi n PRO 164 Cb 0.45 -1.25 -0.02 0.00 -0.04 0.00 0.00 33.50 32.64 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 1.51 -0.51 -0.03 0.55 0.00 -1.26 -1.73 107.32 105.85 1jdi s GLY 165 Ca 0.00 0.89 -0.29 0.00 0.00 0.00 0.00 44.72 45.32 1jdi s GLY 165 CO 0.00 0.33 0.71 0.54 0.00 0.00 0.00 173.10 174.68 1jdi s VAL 166 N -3.18 0.00 -0.16 1.40 0.11 0.02 -4.57 120.40 114.03 1jdi s VAL 166 Ca 0.03 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.06 1jdi s VAL 166 Cb -0.01 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.82 1jdi s VAL 166 CO -0.09 0.00 -0.09 -0.76 -3.33 0.00 0.00 175.10 170.83 1jdi s LEU 167 N -1.48 2.87 -0.37 2.54 1.43 0.66 -1.06 118.68 123.26 1jdi s LEU 167 Ca -0.07 -0.30 -0.17 0.00 -1.03 0.00 0.00 54.13 52.56 1jdi s LEU 167 Cb -0.00 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.54 1jdi s LEU 167 CO 0.05 0.12 0.43 -0.69 0.23 0.00 0.00 176.35 176.49 1jdi s VAL 168 N 0.63 5.09 -0.09 -1.59 1.01 -0.31 -0.01 120.40 125.13 1jdi s VAL 168 Ca -0.05 -0.01 -0.33 0.00 0.00 0.00 0.00 61.98 61.59 1jdi s VAL 168 Cb -0.15 -3.94 -0.16 0.00 0.00 0.00 0.00 36.38 32.13 1jdi s VAL 168 CO 0.03 -0.25 0.94 1.57 0.00 0.00 0.00 175.10 177.39 1jdi n HIS 169 N 5.57 0.71 -0.86 5.22 -0.00 -1.26 0.03 115.22 124.64 1jdi n HIS 169 Ca -0.07 0.85 0.00 0.00 0.46 0.00 0.00 57.72 58.96 1jdi n HIS 169 Cb 0.49 -1.68 0.00 0.00 -0.12 0.00 0.00 29.99 28.68 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 1.65 -4.00 0.00 0.26 7.64 0.32 -4.77 113.62 114.72 1jdi n SER 170 Ca 0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1jdi n SER 170 Cb 0.04 -2.93 0.00 0.00 -1.01 0.00 0.00 64.21 60.31 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 -2.07 0.00 -1.38 1.43 -0.00 0.10 -4.81 115.22 108.49 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 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.31 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 4.24 -1.37 3.85 1.57 0.00 -1.02 -4.83 105.19 107.63 1jdi n GLY 172 Ca 0.00 -0.99 -0.32 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.31 3.98 -0.05 1.61 0.04 -1.22 -1.16 135.00 136.89 1jdi s PRO 173 Ca 0.00 0.82 0.00 0.00 0.04 0.00 0.00 61.00 61.86 1jdi s PRO 173 Cb 0.00 -2.26 0.02 0.00 0.04 0.00 0.00 34.50 32.30 1jdi s PRO 173 CO 0.00 -0.08 -0.03 -0.06 0.04 0.00 0.00 177.00 176.88 1jdi s PHE 174 N -2.34 0.68 0.26 0.56 0.08 -0.23 -3.14 117.98 113.86 1jdi s PHE 174 Ca 0.57 -0.18 0.05 0.00 0.12 0.00 0.00 56.93 57.49 1jdi s PHE 174 Cb -0.10 -0.68 -0.06 0.00 -0.57 0.00 0.00 43.02 41.61 1jdi s PHE 174 CO 0.24 -0.23 -0.04 0.00 -0.10 0.00 0.00 175.22 175.10 1jdi s ALA 175 N 1.27 2.17 0.25 5.36 0.00 0.44 -0.80 121.76 130.45 1jdi s ALA 175 Ca -0.06 -1.86 -0.16 0.00 0.00 0.00 0.00 51.96 49.88 1jdi s ALA 175 Cb -0.14 0.30 0.01 0.00 0.00 0.00 0.00 23.12 23.29 1jdi s ALA 175 CO -0.02 -0.14 0.58 1.67 0.00 0.00 0.00 175.76 177.85 1jdi s TRP 176 N -3.15 0.10 0.03 0.00 -2.14 -0.70 -0.20 118.94 112.87 1jdi s TRP 176 Ca 0.29 -0.50 -0.02 0.00 2.66 0.00 0.00 56.10 58.53 1jdi s TRP 176 Cb 0.05 0.41 0.01 0.00 -3.10 0.00 0.00 33.47 30.84 1jdi s TRP 176 CO 0.11 -1.08 0.12 0.41 -2.66 0.00 0.00 176.95 173.85 1jdi n GLY 177 N -0.41 1.36 0.26 3.67 0.00 -0.49 -4.50 105.19 105.09 1jdi n GLY 177 Ca -0.03 -0.97 0.07 0.00 0.00 0.00 0.00 46.02 45.09 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 0.08 0.00 1.61 1.57 -1.87 0.21 116.57 118.18 1jdi h LYS 178 Ca -0.03 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 1jdi h LYS 178 Cb 0.15 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1jdi h LYS 178 CO 0.05 0.08 0.08 0.27 -0.57 0.00 0.00 179.45 179.36 1jdi n ASN 179 N -4.50 -1.35 0.03 0.86 0.23 -1.26 -3.50 115.26 105.79 1jdi n ASN 179 Ca -0.02 -2.19 -0.10 0.00 -0.53 0.00 0.00 54.58 51.73 1jdi n ASN 179 Cb 0.11 2.32 -0.04 0.00 -2.08 0.00 0.00 39.78 40.09 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 1.94 -0.21 -0.28 -2.53 0.00 -1.83 -0.61 119.26 115.74 1jdi h ALA 180 Ca -0.22 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1jdi h ALA 180 Cb 0.85 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1jdi h ALA 180 CO 0.28 -0.68 0.16 1.49 0.00 0.00 0.00 179.25 180.50 1jdi h GLU 181 N -0.29 0.33 -0.92 0.00 4.81 -1.96 -1.90 114.58 114.64 1jdi h GLU 181 Ca 0.07 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1jdi h GLU 181 Cb 0.40 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.66 1jdi h GLU 181 CO -0.22 0.22 0.60 0.22 -0.73 0.00 0.00 179.01 179.09 1jdi h ASP 182 N 0.34 1.07 -0.63 1.04 3.58 -1.89 -1.74 116.42 118.19 1jdi h ASP 182 Ca 0.11 -0.04 -0.09 0.00 0.42 0.00 0.00 57.03 57.44 1jdi h ASP 182 Cb 0.00 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.76 1jdi h ASP 182 CO -0.05 0.78 0.05 0.00 -2.88 0.00 0.00 179.24 177.14 1jdi h ALA 183 N 1.41 0.89 -0.82 -0.78 0.00 -0.77 -2.09 119.26 117.11 1jdi h ALA 183 Ca 0.34 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1jdi h ALA 183 Cb -0.12 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.39 1jdi h ALA 183 CO -0.07 0.67 0.34 0.28 0.00 0.00 0.00 179.25 180.47 1jdi h VAL 184 N 1.00 1.26 -0.57 0.00 2.07 -0.69 -0.33 116.25 118.99 1jdi h VAL 184 Ca 0.19 -0.80 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 1jdi h VAL 184 Cb 0.50 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1jdi h VAL 184 CO 0.02 0.33 0.23 0.45 0.02 0.00 0.00 177.57 178.63 1jdi h HIS 185 N 1.18 0.86 -0.33 1.57 -0.00 -1.05 -1.39 115.15 115.98 1jdi h HIS 185 Ca 0.27 -0.06 -0.07 0.00 -0.00 0.00 0.00 60.37 60.51 1jdi h HIS 185 Cb 0.19 -0.26 -0.02 0.00 -0.00 0.00 0.00 27.41 27.32 1jdi h HIS 185 CO 0.02 0.69 -0.10 -0.91 -0.00 0.00 0.00 177.93 177.63 1jdi h ASN 186 N 0.78 0.55 -0.66 2.45 2.35 -0.98 -1.79 115.58 118.27 1jdi h ASN 186 Ca 0.19 -0.14 -0.08 0.00 -0.55 0.00 0.00 56.30 55.72 1jdi h ASN 186 Cb 0.19 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 1jdi h ASN 186 CO -0.02 0.69 0.11 0.00 -1.65 0.00 0.00 177.43 176.57 1jdi h ALA 187 N 1.37 0.93 -0.07 -0.83 0.00 -0.53 0.30 119.26 120.43 1jdi h ALA 187 Ca 0.10 -0.27 -0.18 0.00 0.00 0.00 0.00 54.91 54.56 1jdi h ALA 187 Cb 0.49 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1jdi h ALA 187 CO 0.03 0.67 -0.73 -0.84 0.00 0.00 0.00 179.25 178.37 1jdi h ILE 188 N 1.03 1.39 -0.39 0.00 -0.00 -0.98 -2.26 117.51 116.30 1jdi h ILE 188 Ca 0.20 -2.17 -0.15 0.00 -0.00 0.00 0.00 64.86 62.74 1jdi h ILE 188 Cb 0.43 2.14 -0.01 0.00 -0.00 0.00 0.00 36.82 39.38 1jdi h ILE 188 CO 0.01 0.65 -0.36 0.58 -0.00 0.00 0.00 178.15 179.03 1jdi h VAL 189 N 0.24 1.27 -0.37 0.16 2.07 -1.17 -1.06 116.25 117.39 1jdi h VAL 189 Ca -0.03 -1.54 0.06 0.00 0.82 0.00 0.00 66.70 66.01 1jdi h VAL 189 Cb 1.30 1.38 -0.05 0.00 -1.52 0.00 0.00 31.29 32.40 1jdi h VAL 189 CO 0.12 0.51 0.07 0.25 0.02 0.00 0.00 177.57 178.55 1jdi h LEU 190 N 0.75 0.01 -0.77 2.57 5.85 -0.86 0.13 115.31 122.99 1jdi h LEU 190 Ca 0.06 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.85 1jdi h LEU 190 Cb 0.96 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 1jdi h LEU 190 CO 0.09 0.04 0.50 -0.08 -0.34 0.00 0.00 178.44 178.66 1jdi h GLU 191 N 0.20 1.02 0.17 1.25 4.57 -1.24 -0.79 114.58 119.75 1jdi h GLU 191 Ca 0.18 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.28 1jdi h GLU 191 Cb 0.21 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.57 1jdi h GLU 191 CO -0.23 0.68 -0.09 1.49 -1.18 0.00 0.00 179.01 179.68 1jdi h GLU 192 N 1.05 -0.23 0.00 1.92 4.57 0.21 -0.73 114.58 121.38 1jdi h GLU 192 Ca 0.28 0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.41 1jdi h GLU 192 Cb -0.11 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 1jdi h GLU 192 CO -0.06 -0.15 -0.30 -0.39 -1.18 0.00 0.00 179.01 176.93 1jdi h VAL 193 N -0.23 0.81 -0.33 0.32 -1.51 -0.67 -1.93 116.25 112.70 1jdi h VAL 193 Ca -0.02 -1.24 -0.05 0.00 -1.23 0.00 0.00 66.70 64.16 1jdi h VAL 193 Cb 0.18 1.77 -0.01 0.00 -2.13 0.00 0.00 31.29 31.10 1jdi h VAL 193 CO 0.03 0.29 -0.00 0.00 -1.23 0.00 0.00 177.57 176.66 1jdi h ALA 194 N 1.70 0.44 0.56 5.19 0.00 -0.75 0.14 119.26 126.54 1jdi h ALA 194 Ca -0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1jdi h ALA 194 Cb 0.74 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.42 1jdi h ALA 194 CO 0.04 0.20 -0.27 -0.92 0.00 0.00 0.00 179.25 178.30 1jdi h TYR 195 N 0.39 -0.69 -0.14 0.00 5.03 -0.73 -2.69 116.97 118.13 1jdi h TYR 195 Ca 0.09 -0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.36 1jdi h TYR 195 Cb 0.45 0.23 -0.01 0.00 1.55 0.00 0.00 36.73 38.95 1jdi h TYR 195 CO 0.04 -0.39 -0.02 0.52 -1.32 0.00 0.00 178.16 176.99 1jdi h MET 196 N -0.85 0.20 -0.53 1.82 0.00 -1.38 -2.32 114.93 111.87 1jdi h MET 196 Ca -0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 59.70 59.58 1jdi h MET 196 Cb 0.61 -0.04 -0.03 0.00 0.00 0.00 0.00 31.60 32.15 1jdi h MET 196 CO 0.13 0.24 0.28 0.78 0.00 0.00 0.00 176.91 178.33 1jdi h GLY 197 N 0.46 0.79 0.75 8.32 0.00 -0.52 -0.12 103.07 112.75 1jdi h GLY 197 Ca 0.05 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 1jdi h GLY 197 CO 0.00 0.33 0.00 -2.22 0.00 0.00 0.00 176.54 174.66 1jdi h ILE 198 N 0.74 1.21 0.00 2.60 2.04 -1.09 -2.90 117.51 120.11 1jdi h ILE 198 Ca 0.19 -0.62 -0.05 0.00 1.00 0.00 0.00 64.86 65.38 1jdi h ILE 198 Cb 0.05 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1jdi h ILE 198 CO -0.03 0.16 -0.41 -0.26 0.00 0.00 0.00 178.15 177.61 1jdi h PHE 199 N -0.23 0.00 -0.01 1.37 0.04 -1.53 -2.74 116.94 113.85 1jdi h PHE 199 Ca 0.01 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.63 1jdi h PHE 199 Cb 0.26 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.39 1jdi h PHE 199 CO 0.01 0.22 -0.70 0.00 -0.60 0.00 0.00 178.31 177.25 1jdi h ARG 201 N 0.03 0.81 -0.67 0.00 2.43 -1.46 -0.07 114.38 115.46 1jdi h ARG 201 Ca -0.01 -0.42 0.03 0.00 -0.81 0.00 0.00 59.98 58.77 1jdi h ARG 201 Cb 1.23 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.75 1jdi h ARG 201 CO 0.09 1.06 0.42 0.37 -1.51 0.00 0.00 179.97 180.40 1jdi h GLN 202 N 0.59 0.79 -0.34 0.20 4.15 -1.25 0.19 115.11 119.44 1jdi h GLN 202 Ca 0.06 -0.05 -0.14 0.00 0.77 0.00 0.00 58.65 59.29 1jdi h GLN 202 Cb 0.90 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.40 1jdi h GLN 202 CO 0.08 0.52 -0.35 -0.07 -1.93 0.00 0.00 178.83 177.08 1jdi h LEU 203 N 0.82 0.83 -6.51 -2.39 3.38 -1.20 -3.38 115.31 106.86 1jdi h LEU 203 Ca 0.27 -0.36 -0.60 0.00 0.09 0.00 0.00 57.88 57.29 1jdi h LEU 203 Cb 0.02 -0.23 -0.39 0.00 0.09 0.00 0.00 40.66 40.15 1jdi h LEU 203 CO -0.11 1.10 -0.89 0.00 0.09 0.00 0.00 178.44 178.63 1jdi n ALA 204 N -2.52 2.98 0.19 1.53 0.00 -0.05 -4.98 120.51 117.66 1jdi n ALA 204 Ca -0.01 -3.43 0.17 0.00 0.00 0.00 0.00 53.44 50.16 1jdi n ALA 204 Cb 0.51 -0.81 0.80 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 -0.53 0.00 0.13 -0.83 -0.99 132.00 135.31 1jdi h PRO 205 Ca 0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.37 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 0.45 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.26 1jdi n GLN 206 N -3.90 3.95 -1.81 0.86 3.00 -1.26 -4.99 117.38 113.22 1jdi n GLN 206 Ca 0.02 -2.93 -0.42 0.00 -0.01 0.00 0.00 57.00 53.66 1jdi n GLN 206 Cb 0.34 -1.98 -0.03 0.00 0.00 0.00 0.00 30.24 28.57 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 -2.32 4.38 0.54 1.08 0.20 -0.38 -4.99 118.68 117.20 1jdi s LEU 207 Ca 0.49 2.68 -0.14 0.00 0.69 0.00 0.00 54.13 57.85 1jdi s LEU 207 Cb 0.35 -3.57 -0.06 0.00 -0.43 0.00 0.00 46.19 42.47 1jdi s LEU 207 CO 0.18 -0.94 0.99 -2.16 -0.29 0.00 0.00 176.35 174.12 1jdi s PRO 208 N 2.22 3.82 0.77 0.98 0.04 -1.26 -5.02 135.00 136.55 1jdi s PRO 208 Ca 0.76 0.85 -0.15 0.00 0.04 0.00 0.00 61.00 62.51 1jdi s PRO 208 Cb -0.45 -2.13 0.05 0.00 0.04 0.00 0.00 34.50 32.01 1jdi s PRO 208 CO 0.34 -0.36 1.13 -0.25 0.04 0.00 0.00 177.00 177.90 1jdi n ASP 209 N -1.97 0.93 -4.63 6.66 10.43 -1.26 -4.92 116.55 121.79 1jdi n ASP 209 Ca 0.06 0.63 -0.32 0.00 2.57 0.00 0.00 54.79 57.73 1jdi n ASP 209 Cb 0.54 -1.48 0.15 0.00 1.84 0.00 0.00 41.12 42.17 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 -2.70 -0.20 -1.67 -1.24 0.00 0.00 -4.89 117.12 106.43 1jdi n MET 210 Ca 0.14 0.01 -0.46 0.00 0.00 0.00 0.00 57.70 57.39 1jdi n MET 210 Cb 0.50 -2.31 -0.04 0.00 0.00 0.00 0.00 33.22 31.37 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 -3.45 2.14 -0.29 3.17 6.02 -1.26 -4.86 117.38 118.85 1jdi n GLN 211 Ca 0.12 0.77 0.07 0.00 -0.01 0.00 0.00 57.00 57.94 1jdi n GLN 211 Cb 0.52 -2.52 0.28 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 5.64 0.89 -0.76 -1.09 5.75 -1.99 -0.85 115.11 122.71 1jdi h GLN 212 Ca -0.45 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 57.99 1jdi h GLN 212 Cb 1.26 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 29.57 1jdi h GLN 212 CO 0.87 0.59 0.44 1.15 -2.65 0.00 0.00 178.83 179.22 1jdi h THR 213 N 0.91 1.22 -0.36 2.39 2.02 -1.99 0.70 112.91 117.81 1jdi h THR 213 Ca 0.41 -0.51 -0.15 0.00 0.77 0.00 0.00 66.41 66.93 1jdi h THR 213 Cb 0.38 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 1jdi h THR 213 CO -0.18 0.24 -0.35 0.25 0.37 0.00 0.00 175.52 175.85 1jdi h LEU 214 N 1.04 0.94 -0.30 2.58 5.85 -1.66 0.18 115.31 123.93 1jdi h LEU 214 Ca 0.27 -0.46 0.01 0.00 0.84 0.00 0.00 57.88 58.54 1jdi h LEU 214 Cb -0.01 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 1jdi h LEU 214 CO -0.05 1.21 0.18 0.25 -0.34 0.00 0.00 178.44 179.69 1jdi h LEU 215 N 0.68 0.30 -0.20 2.25 7.12 -0.86 -1.85 115.31 122.75 1jdi h LEU 215 Ca 0.06 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.06 1jdi h LEU 215 Cb 0.94 -0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.99 1jdi h LEU 215 CO 0.09 0.22 0.08 0.78 -0.13 0.00 0.00 178.44 179.47 1jdi h ASN 216 N 0.37 0.28 -0.37 1.25 2.35 -0.75 -0.95 115.58 117.76 1jdi h ASN 216 Ca 0.12 -0.17 0.08 0.00 -0.55 0.00 0.00 56.30 55.78 1jdi h ASN 216 Cb -0.01 -0.07 -0.08 0.00 0.05 0.00 0.00 38.32 38.20 1jdi h ASN 216 CO -0.05 0.38 -0.18 0.50 -1.65 0.00 0.00 177.43 176.43 1jdi h LYS 217 N 0.17 -0.11 -0.04 0.81 3.11 -0.70 -0.94 116.57 118.87 1jdi h LYS 217 Ca 0.07 0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.89 1jdi h LYS 217 Cb 0.18 0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 31.44 1jdi h LYS 217 CO -0.00 -0.07 -0.06 0.45 -2.81 0.00 0.00 179.45 176.95 1jdi h HIS 218 N -0.12 0.14 -0.16 1.91 3.86 -1.24 -2.43 115.15 117.11 1jdi h HIS 218 Ca 0.19 -0.05 -0.09 0.00 -1.16 0.00 0.00 60.37 59.26 1jdi h HIS 218 Cb 0.40 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 28.85 1jdi h HIS 218 CO -0.41 0.63 -0.25 -0.92 0.86 0.00 0.00 177.93 177.84 1jdi h TYR 219 N -0.40 0.56 -0.01 2.45 5.03 -0.92 -3.22 116.97 120.46 1jdi h TYR 219 Ca 0.00 -0.19 -0.08 0.00 2.58 0.00 0.00 58.73 61.04 1jdi h TYR 219 Cb 0.62 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.78 1jdi h TYR 219 CO 0.11 0.88 -0.37 -0.07 -1.32 0.00 0.00 178.16 177.39 1jdi h LEU 220 N 0.07 0.02 0.11 2.82 4.07 -1.31 -3.10 115.31 117.99 1jdi h LEU 220 Ca 0.01 -0.01 0.01 0.00 0.08 0.00 0.00 57.88 57.98 1jdi h LEU 220 Cb 0.83 -0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.54 1jdi h LEU 220 CO 0.06 0.39 -0.18 -0.09 -1.08 0.00 0.00 178.44 177.54 1jdi h ARG 221 N 0.02 -0.34 0.00 1.13 2.43 -1.44 -3.41 114.38 112.77 1jdi h ARG 221 Ca -0.00 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 1jdi h ARG 221 Cb 0.66 0.08 0.01 0.00 -0.42 0.00 0.00 29.97 30.30 1jdi h ARG 221 CO 0.05 -0.22 0.03 1.63 -1.51 0.00 0.00 179.97 179.94 1jdi n LYS 222 N -5.31 0.16 -0.22 0.20 5.02 -1.17 -5.12 118.16 111.73 1jdi n LYS 222 Ca -0.07 -0.25 0.00 0.00 -2.02 0.00 0.00 58.31 55.98 1jdi n LYS 222 Cb 0.22 -0.11 0.00 0.00 -0.02 0.00 0.00 35.03 35.12 1jdi n LYS 222 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60