#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 -0.05 -0.34 3.17 4.77 -1.26 -5.00 117.00 118.29 1jdi n LEU 2 Ca 0.00 -3.58 0.09 0.00 -0.03 0.00 0.00 56.01 52.49 1jdi n LEU 2 Cb 0.00 0.25 0.19 0.00 -2.33 0.00 0.00 43.42 41.52 1jdi n LEU 2 CO 0.00 1.70 0.68 -0.62 -1.33 0.00 0.00 177.39 177.82 1jdi n GLU 3 N -0.33 -0.08 -0.02 3.23 4.71 -1.26 -0.69 120.64 126.20 1jdi n GLU 3 Ca 0.03 1.48 -0.11 0.00 -0.01 0.00 0.00 57.16 58.56 1jdi n GLU 3 Cb 0.83 -2.26 -0.05 0.00 -1.01 0.00 0.00 31.44 28.95 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 0.17 -0.65 1.62 -0.00 -1.99 -0.28 116.42 115.28 1jdi h ASP 4 Ca 0.50 -0.06 0.03 0.00 -0.00 0.00 0.00 57.03 57.50 1jdi h ASP 4 Cb 0.87 -0.04 -0.04 0.00 -0.00 0.00 0.00 39.33 40.12 1jdi h ASP 4 CO -0.96 0.18 0.41 0.25 -0.00 0.00 0.00 179.24 179.11 1jdi h LEU 5 N 0.15 0.67 -1.13 2.28 6.46 -1.33 -0.84 115.31 121.56 1jdi h LEU 5 Ca 0.05 -0.00 0.03 0.00 -0.12 0.00 0.00 57.88 57.84 1jdi h LEU 5 Cb 0.04 -0.15 -0.05 0.00 -0.73 0.00 0.00 40.66 39.78 1jdi h LEU 5 CO -0.01 0.47 0.59 0.11 -0.62 0.00 0.00 178.44 178.98 1jdi h LYS 6 N 0.80 1.11 -0.07 1.25 1.57 -0.60 0.06 116.57 120.68 1jdi h LYS 6 Ca 0.26 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1jdi h LYS 6 Cb 0.01 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.06 1jdi h LYS 6 CO -0.10 0.73 0.03 -0.09 -0.57 0.00 0.00 179.45 179.45 1jdi h ARG 7 N 1.14 0.11 0.12 3.15 1.12 0.02 0.16 114.38 120.20 1jdi h ARG 7 Ca 0.35 -0.02 0.01 0.00 -1.11 0.00 0.00 59.98 59.21 1jdi h ARG 7 Cb -0.03 -0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 29.89 1jdi h ARG 7 CO -0.10 0.24 -0.20 1.96 -3.11 0.00 0.00 179.97 178.76 1jdi h GLN 8 N -0.05 -0.38 -0.68 0.20 4.20 -0.61 0.13 115.11 117.93 1jdi h GLN 8 Ca 0.02 0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1jdi h GLN 8 Cb 0.18 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 1jdi h GLN 8 CO -0.00 -0.25 0.39 0.28 -0.67 0.00 0.00 178.83 178.57 1jdi h VAL 9 N -0.39 1.20 -0.19 -0.54 2.07 -0.94 0.55 116.25 118.01 1jdi h VAL 9 Ca 0.02 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 1jdi h VAL 9 Cb 0.41 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1jdi h VAL 9 CO -0.10 0.21 0.08 0.25 0.02 0.00 0.00 177.57 178.03 1jdi h LEU 10 N 0.94 0.26 -0.64 2.57 7.12 -0.16 -1.19 115.31 124.20 1jdi h LEU 10 Ca 0.24 -0.16 -0.07 0.00 0.13 0.00 0.00 57.88 58.02 1jdi h LEU 10 Cb -0.00 -0.07 -0.03 0.00 -0.53 0.00 0.00 40.66 40.03 1jdi h LEU 10 CO -0.04 0.35 0.13 -0.33 -0.13 0.00 0.00 178.44 178.42 1jdi h GLU 11 N 0.15 1.05 -0.08 1.25 5.08 -0.52 -1.25 114.58 120.25 1jdi h GLU 11 Ca 0.06 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1jdi h GLU 11 Cb 0.17 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1jdi h GLU 11 CO -0.01 0.96 0.05 0.00 -1.00 0.00 0.00 179.01 179.01 1jdi h ALA 12 N 1.05 0.10 -0.82 3.43 0.00 -0.77 -0.64 119.26 121.61 1jdi h ALA 12 Ca 0.20 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1jdi h ALA 12 Cb 0.40 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1jdi h ALA 12 CO 0.01 -0.41 0.53 -0.91 0.00 0.00 0.00 179.25 178.46 1jdi h ASN 13 N 0.10 0.89 0.31 0.00 2.35 -1.03 -1.37 115.58 116.83 1jdi h ASN 13 Ca 0.03 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.74 1jdi h ASN 13 Cb -0.01 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.15 1jdi h ASN 13 CO -0.01 0.63 -0.14 -0.07 -1.65 0.00 0.00 177.43 176.18 1jdi h LEU 14 N 1.05 0.00 -1.05 1.61 4.07 -0.82 -2.28 115.31 117.89 1jdi h LEU 14 Ca 0.31 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 58.20 1jdi h LEU 14 Cb -0.05 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.68 1jdi h LEU 14 CO -0.09 0.14 -0.34 0.00 -1.08 0.00 0.00 178.44 177.07 1jdi h ALA 15 N 1.86 1.05 -0.04 1.53 0.00 0.04 -3.30 119.26 120.40 1jdi h ALA 15 Ca -0.00 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.63 1jdi h ALA 15 Cb 0.34 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1jdi h ALA 15 CO 0.02 0.43 -0.25 -0.07 0.00 0.00 0.00 179.25 179.38 1jdi h LEU 16 N 0.00 -0.74 -0.99 0.00 4.07 -1.28 -1.58 115.31 114.79 1jdi h LEU 16 Ca -0.00 0.11 -0.09 0.00 0.08 0.00 0.00 57.88 57.97 1jdi h LEU 16 Cb 0.83 0.31 -0.01 0.00 1.08 0.00 0.00 40.66 42.86 1jdi h LEU 16 CO 0.04 -0.31 -0.42 1.55 -1.08 0.00 0.00 178.44 178.22 1jdi h PRO 17 N -0.37 0.00 -0.20 1.13 0.13 -1.74 -1.44 132.00 129.51 1jdi h PRO 17 Ca 0.07 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.13 1jdi h PRO 17 Cb 0.47 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 1jdi h PRO 17 CO -0.25 0.42 -0.18 0.87 -0.23 0.00 0.00 178.00 178.63 1jdi h LYS 18 N 0.00 0.35 -0.73 0.86 1.57 -1.49 -2.36 116.57 114.77 1jdi h LYS 18 Ca -0.00 -0.10 -0.16 0.00 -1.87 0.00 0.00 60.65 58.51 1jdi h LYS 18 Cb 0.88 -0.04 -0.10 0.00 0.08 0.00 0.00 32.23 33.06 1jdi h LYS 18 CO 0.05 0.52 0.21 0.72 -0.57 0.00 0.00 179.45 180.39 1jdi n HIS 19 N -4.20 2.34 -4.10 -1.35 8.25 -0.65 -4.93 115.22 110.59 1jdi n HIS 19 Ca -0.00 -1.06 -0.34 0.00 -0.26 0.00 0.00 57.72 56.05 1jdi n HIS 19 Cb 0.33 -0.64 -0.02 0.00 1.12 0.00 0.00 29.99 30.78 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 0.05 -3.54 -0.37 0.41 3.02 -0.89 -4.82 115.26 109.13 1jdi n ASN 20 Ca 0.37 -0.91 0.12 0.00 -0.03 0.00 0.00 54.58 54.13 1jdi n ASN 20 Cb 1.33 -2.89 0.21 0.00 -0.61 0.00 0.00 39.78 37.82 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 -4.34 1.50 -3.84 3.41 4.77 -0.55 -4.82 117.00 113.12 1jdi n LEU 21 Ca 0.07 -0.49 -0.09 0.00 -0.03 0.00 0.00 56.01 55.47 1jdi n LEU 21 Cb 0.50 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.49 1jdi n LEU 21 CO 0.81 0.28 0.33 0.54 -1.33 0.00 0.00 177.39 178.02 1jdi s VAL 22 N -2.47 0.01 0.12 4.08 0.11 -1.24 -2.86 120.40 118.14 1jdi s VAL 22 Ca 0.22 -1.00 -0.01 0.00 -2.93 0.00 0.00 61.98 58.26 1jdi s VAL 22 Cb 0.19 -1.89 -0.04 0.00 -1.53 0.00 0.00 36.38 33.11 1jdi s VAL 22 CO 0.54 -0.03 0.03 -0.89 -3.33 0.00 0.00 175.10 171.41 1jdi s THR 23 N -3.93 0.21 0.00 5.04 2.01 -1.26 -4.70 115.64 113.00 1jdi s THR 23 Ca 0.13 -1.90 0.00 0.00 0.31 0.00 0.00 61.69 60.23 1jdi s THR 23 Cb -0.03 -1.96 0.00 0.00 0.01 0.00 0.00 72.50 70.52 1jdi s THR 23 CO 0.04 -0.56 0.00 0.18 -0.69 0.00 0.00 174.62 173.59 1jdi n LEU 24 N -0.08 0.00 -0.88 4.42 4.77 -1.26 -1.89 117.00 122.08 1jdi n LEU 24 Ca -0.07 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 55.98 1jdi n LEU 24 Cb 0.63 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 41.95 1jdi n LEU 24 CO 0.31 0.00 0.69 0.35 -1.33 0.00 0.00 177.39 177.41 1jdi n THR 25 N 0.00 1.75 -1.06 -5.08 -2.24 -1.26 -4.80 114.28 101.60 1jdi n THR 25 Ca 0.00 -1.46 -0.30 0.00 -2.27 0.00 0.00 64.05 60.02 1jdi n THR 25 Cb 0.00 0.08 0.14 0.00 -2.10 0.00 0.00 70.33 68.45 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 -2.02 2.16 0.00 4.78 0.51 -0.80 -4.89 118.94 118.69 1jdi s TRP 26 Ca 0.36 1.43 0.00 0.00 -2.12 0.00 0.00 56.10 55.77 1jdi s TRP 26 Cb 0.26 -3.16 0.00 0.00 -0.81 0.00 0.00 33.47 29.76 1jdi s TRP 26 CO 0.13 -2.45 0.00 0.41 -0.51 0.00 0.00 176.95 174.53 1jdi n GLY 27 N -0.71 -1.11 3.63 0.98 0.00 -1.26 -4.70 105.19 102.02 1jdi n GLY 27 Ca 0.08 -1.57 -0.07 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 -2.65 -0.27 0.08 1.61 2.20 0.19 -4.98 114.94 111.12 1jdi s ASN 28 Ca 0.00 0.46 0.08 0.00 -0.94 0.00 0.00 52.86 52.46 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 -0.13 -0.21 -0.69 -2.94 0.00 0.00 177.10 173.13 1jdi s VAL 29 N -0.21 1.70 0.05 3.54 1.01 -1.26 -0.84 120.40 124.38 1jdi s VAL 29 Ca 0.04 -1.43 -0.07 0.00 0.00 0.00 0.00 61.98 60.52 1jdi s VAL 29 Cb -0.04 -1.52 -0.00 0.00 0.00 0.00 0.00 36.38 34.82 1jdi s VAL 29 CO -0.08 0.03 0.14 -0.94 0.00 0.00 0.00 175.10 174.26 1jdi s SER 30 N -1.66 0.12 0.01 3.32 1.04 -0.34 -2.22 113.70 113.98 1jdi s SER 30 Ca 0.07 -0.50 0.01 0.00 0.48 0.00 0.00 55.95 56.00 1jdi s SER 30 Cb -0.10 0.27 -0.01 0.00 0.10 0.00 0.00 66.02 66.28 1jdi s SER 30 CO 0.03 -0.56 -0.03 0.00 0.98 0.00 0.00 173.24 173.66 1jdi s ALA 31 N -2.83 0.22 0.30 5.32 0.00 -0.60 -0.60 121.76 123.58 1jdi s ALA 31 Ca -0.03 -0.39 0.07 0.00 0.00 0.00 0.00 51.96 51.61 1jdi s ALA 31 Cb 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 1jdi s ALA 31 CO -0.05 -0.04 0.30 0.54 0.00 0.00 0.00 175.76 176.51 1jdi s VAL 32 N -0.80 4.14 -0.38 0.00 0.11 -0.02 -0.80 120.40 122.65 1jdi s VAL 32 Ca -0.07 -1.26 0.01 0.00 -2.93 0.00 0.00 61.98 57.72 1jdi s VAL 32 Cb -0.06 -3.38 0.14 0.00 -1.53 0.00 0.00 36.38 31.55 1jdi s VAL 32 CO -0.00 -0.25 0.22 -0.62 -3.33 0.00 0.00 175.10 171.12 1jdi s ASP 33 N -3.98 3.25 0.17 3.54 3.68 0.19 -4.96 116.67 118.57 1jdi s ASP 33 Ca 0.38 -2.31 -0.15 0.00 2.13 0.00 0.00 52.55 52.60 1jdi s ASP 33 Cb -0.08 -0.64 0.12 0.00 -1.45 0.00 0.00 42.92 40.88 1jdi s ASP 33 CO 0.27 -0.30 1.73 0.03 0.13 0.00 0.00 175.17 177.03 1jdi h ARG 34 N 6.97 0.22 -0.84 4.34 -0.00 -1.97 -1.44 114.38 121.65 1jdi h ARG 34 Ca 0.02 -0.01 0.10 0.00 -0.50 0.00 0.00 59.98 59.59 1jdi h ARG 34 Cb 0.96 -0.05 -0.08 0.00 0.00 0.00 0.00 29.97 30.80 1jdi h ARG 34 CO 0.35 0.15 0.48 0.93 0.00 0.00 0.00 179.97 181.88 1jdi h GLU 35 N 0.23 0.76 -0.01 0.04 5.08 -1.95 0.10 114.58 118.83 1jdi h GLU 35 Ca 0.20 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1jdi h GLU 35 Cb 0.24 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1jdi h GLU 35 CO -0.26 0.50 -0.05 0.54 -1.00 0.00 0.00 179.01 178.74 1jdi n ARG 36 N -4.75 1.06 -3.72 2.33 1.74 -1.01 -4.93 116.66 107.38 1jdi n ARG 36 Ca 0.15 -0.38 -0.24 0.00 -0.77 0.00 0.00 57.85 56.60 1jdi n ARG 36 Cb 0.31 -1.49 0.04 0.00 -1.02 0.00 0.00 32.46 30.30 1jdi n ARG 36 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jdi n GLY 37 N 1.17 -0.40 3.34 -0.13 0.00 0.36 -4.98 105.19 104.55 1jdi n GLY 37 Ca 0.18 0.16 -0.10 0.00 0.00 0.00 0.00 46.02 46.27 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 -3.46 0.07 0.02 1.61 0.11 -1.01 -2.41 120.40 115.33 1jdi s VAL 38 Ca 0.30 -0.93 0.00 0.00 -2.93 0.00 0.00 61.98 58.42 1jdi s VAL 38 Cb -0.15 -1.45 -0.02 0.00 -1.53 0.00 0.00 36.38 33.23 1jdi s VAL 38 CO 0.80 -0.34 -0.04 0.72 -3.33 0.00 0.00 175.10 172.91 1jdi s PHE 39 N -3.87 0.33 -0.16 1.54 -0.71 -0.29 -0.63 117.98 114.18 1jdi s PHE 39 Ca 0.08 -0.52 -0.05 0.00 -1.04 0.00 0.00 56.93 55.39 1jdi s PHE 39 Cb 0.02 -0.22 -0.03 0.00 -1.21 0.00 0.00 43.02 41.57 1jdi s PHE 39 CO -0.07 -0.17 0.01 0.08 -1.34 0.00 0.00 175.22 173.73 1jdi s VAL 40 N -1.44 4.32 0.07 -2.49 1.01 0.02 -0.61 120.40 121.27 1jdi s VAL 40 Ca -0.15 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.64 1jdi s VAL 40 Cb -0.10 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1jdi s VAL 40 CO -0.01 0.49 -0.06 -0.51 0.00 0.00 0.00 175.10 175.00 1jdi s ILE 41 N 0.30 0.56 0.54 2.22 2.07 -0.16 -1.55 121.20 125.17 1jdi s ILE 41 Ca -0.00 -1.54 -0.20 0.00 -1.41 0.00 0.00 60.65 57.50 1jdi s ILE 41 Cb -0.13 -1.17 -0.07 0.00 0.13 0.00 0.00 42.46 41.21 1jdi s ILE 41 CO 0.02 -0.68 0.93 1.17 -1.91 0.00 0.00 174.94 174.47 1jdi n LYS 42 N 0.64 1.02 -2.64 3.50 4.81 -0.94 -1.67 118.16 122.88 1jdi n LYS 42 Ca -0.17 0.38 -0.29 0.00 -0.87 0.00 0.00 58.31 57.36 1jdi n LYS 42 Cb 0.58 -2.08 -0.01 0.00 0.02 0.00 0.00 35.03 33.54 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 -2.43 3.67 0.00 1.64 0.04 -1.26 -1.57 135.00 135.10 1jdi s PRO 43 Ca 0.70 0.40 -0.19 0.00 0.04 0.00 0.00 61.00 61.96 1jdi s PRO 43 Cb -0.46 -2.34 -0.06 0.00 0.04 0.00 0.00 34.50 31.68 1jdi s PRO 43 CO 0.51 -0.17 0.53 0.45 0.04 0.00 0.00 177.00 178.36 1jdi s SER 44 N -3.66 6.93 -0.18 6.66 0.15 0.18 -4.37 113.70 119.41 1jdi s SER 44 Ca 0.50 1.10 -0.00 0.00 0.70 0.00 0.00 55.95 58.25 1jdi s SER 44 Cb -0.10 -2.33 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 1jdi s SER 44 CO 0.39 0.19 0.05 0.61 1.20 0.00 0.00 173.24 175.68 1jdi n GLY 45 N 2.21 0.48 2.81 9.45 0.00 -1.26 -4.60 105.19 114.28 1jdi n GLY 45 Ca -0.09 -0.71 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.48 0.43 0.54 1.61 1.01 -1.26 -5.13 120.40 115.12 1jdi s VAL 46 Ca 0.03 0.04 -0.21 0.00 0.00 0.00 0.00 61.98 61.84 1jdi s VAL 46 Cb -0.01 -0.55 -0.05 0.00 0.00 0.00 0.00 36.38 35.77 1jdi s VAL 46 CO 0.03 0.25 1.26 -1.81 0.00 0.00 0.00 175.10 174.83 1jdi s ASP 47 N 1.64 5.43 0.49 3.32 1.01 -1.26 -4.86 116.67 122.44 1jdi s ASP 47 Ca 0.00 2.53 0.15 0.00 0.71 0.00 0.00 52.55 55.94 1jdi s ASP 47 Cb -0.13 -2.62 1.17 0.00 1.01 0.00 0.00 42.92 42.36 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 1.38 0.00 0.00 4.23 0.05 -1.97 -2.08 116.97 118.57 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 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.03 1jdi h TYR 48 CO 0.48 0.07 0.00 -1.13 -1.05 0.00 0.00 178.16 176.52 1jdi n SER 49 N -4.45 0.00 0.00 3.88 3.41 -1.26 -3.43 113.62 111.77 1jdi n SER 49 Ca -0.03 -0.41 0.00 0.00 -0.26 0.00 0.00 58.87 58.17 1jdi n SER 49 Cb 0.15 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 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 -1.18 0.00 -1.66 -1.33 2.08 -0.87 -5.06 119.36 111.34 1jdi n ILE 50 Ca 0.16 -0.12 -0.46 0.00 0.56 0.00 0.00 62.75 62.89 1jdi n ILE 50 Cb 0.18 0.62 -0.04 0.00 -0.75 0.00 0.00 39.64 39.64 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 -1.32 1.97 -4.29 0.38 1.56 -0.84 -5.02 117.12 109.56 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 0.45 1.39 0.58 1.12 -4.23 -1.26 -5.03 115.64 108.67 1jdi s THR 52 Ca 0.75 -2.12 0.29 0.00 -1.18 0.00 0.00 61.69 59.42 1jdi s THR 52 Cb -0.70 -1.96 0.38 0.00 1.34 0.00 0.00 72.50 71.56 1jdi s THR 52 CO 0.44 -0.66 1.93 0.00 -0.54 0.00 0.00 174.62 175.80 1jdi h ALA 53 N 2.67 2.18 0.00 3.99 0.00 -1.95 0.12 119.26 126.26 1jdi h ALA 53 Ca -0.37 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.42 1jdi h ALA 53 Cb 1.20 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1jdi h ALA 53 CO 0.63 -0.67 -0.46 0.22 0.00 0.00 0.00 179.25 178.97 1jdi h ASP 54 N 0.00 0.00 0.85 0.00 3.58 -1.95 -2.93 116.42 115.96 1jdi h ASP 54 Ca 0.21 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.64 1jdi h ASP 54 Cb 1.08 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.13 1jdi h ASP 54 CO -0.00 0.46 -0.10 0.44 -2.88 0.00 0.00 179.24 177.16 1jdi h ASP 55 N 0.00 0.00 -4.06 2.28 3.45 -1.16 -3.43 116.42 113.50 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 0.87 0.00 0.14 0.00 -0.56 0.00 0.00 39.33 39.78 1jdi h ASP 55 CO 0.06 0.10 0.58 -0.04 -1.57 0.00 0.00 179.24 178.36 1jdi s MET 56 N -3.76 3.03 -0.06 3.56 -1.94 -1.11 -4.30 119.30 114.72 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 -2.16 -0.02 0.00 2.01 0.00 0.00 34.83 34.76 1jdi s MET 56 CO 0.57 -1.25 -0.15 0.08 -0.01 0.00 0.00 175.02 174.26 1jdi s VAL 57 N -1.35 2.95 -0.22 -6.03 1.01 -0.67 -4.70 120.40 111.39 1jdi s VAL 57 Ca 0.74 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.85 1jdi s VAL 57 Cb -0.39 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 1jdi s VAL 57 CO 0.45 0.58 0.21 -0.69 0.00 0.00 0.00 175.10 175.65 1jdi s VAL 58 N -0.50 5.33 0.00 2.92 1.01 -0.08 -0.98 120.40 128.10 1jdi s VAL 58 Ca 0.07 0.31 0.05 0.00 0.00 0.00 0.00 61.98 62.41 1jdi s VAL 58 Cb -0.12 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 1jdi s VAL 58 CO 0.01 0.35 -0.16 -0.69 0.00 0.00 0.00 175.10 174.61 1jdi s VAL 59 N 0.94 1.30 0.00 2.92 1.01 0.22 -0.30 120.40 126.49 1jdi s VAL 59 Ca 0.10 -0.81 -0.30 0.00 0.00 0.00 0.00 61.98 60.97 1jdi s VAL 59 Cb -0.13 -1.10 -0.05 0.00 0.00 0.00 0.00 36.38 35.09 1jdi s VAL 59 CO 0.04 0.28 1.31 -0.55 0.00 0.00 0.00 175.10 176.17 1jdi s SER 60 N -0.62 6.95 0.17 3.32 0.15 0.63 -1.14 113.70 123.16 1jdi s SER 60 Ca 0.06 2.02 -0.12 0.00 0.70 0.00 0.00 55.95 58.61 1jdi s SER 60 Cb -0.07 -2.56 0.07 0.00 -1.71 0.00 0.00 66.02 61.75 1jdi s SER 60 CO 0.00 -0.63 1.73 0.40 1.20 0.00 0.00 173.24 175.94 1jdi h ILE 61 N 4.83 1.23 -0.09 6.45 2.04 -1.81 0.50 117.51 130.66 1jdi h ILE 61 Ca -0.38 -0.71 -0.05 0.00 1.00 0.00 0.00 64.86 64.73 1jdi h ILE 61 Cb 1.18 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1jdi h ILE 61 CO 0.88 0.28 -0.14 -0.08 0.00 0.00 0.00 178.15 179.09 1jdi h GLU 62 N 0.82 0.24 0.00 2.37 4.81 -1.92 -3.37 114.58 117.54 1jdi h GLU 62 Ca 0.20 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1jdi h GLU 62 Cb 0.20 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1jdi h GLU 62 CO -0.02 0.72 -1.10 0.25 -0.73 0.00 0.00 179.01 178.14 1jdi n THR 63 N -4.61 0.00 -1.14 0.32 -2.24 -1.23 -4.97 114.28 100.42 1jdi n THR 63 Ca -0.07 -0.16 -0.05 0.00 -2.27 0.00 0.00 64.05 61.50 1jdi n THR 63 Cb 0.37 0.78 -0.02 0.00 -2.10 0.00 0.00 70.33 69.35 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 1.43 0.65 3.85 3.38 0.00 0.17 -4.97 105.19 109.69 1jdi n GLY 64 Ca 0.02 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.89 3.99 -0.18 1.61 2.12 -1.25 -4.72 118.70 118.37 1jdi s GLU 65 Ca 0.00 0.53 -0.29 0.00 0.36 0.00 0.00 54.97 55.57 1jdi s GLU 65 Cb 0.00 -2.78 -0.01 0.00 0.26 0.00 0.00 34.13 31.60 1jdi s GLU 65 CO 0.00 0.38 1.20 0.54 -0.54 0.00 0.00 175.26 176.84 1jdi s VAL 66 N -1.64 4.39 0.00 3.70 0.11 -1.26 -0.27 120.40 125.43 1jdi s VAL 66 Ca 0.43 1.68 0.08 0.00 -2.93 0.00 0.00 61.98 61.24 1jdi s VAL 66 Cb -0.14 -4.08 -0.23 0.00 -1.53 0.00 0.00 36.38 30.40 1jdi s VAL 66 CO 0.20 -0.14 0.84 0.58 -3.33 0.00 0.00 175.10 173.24 1jdi h VAL 67 N 5.47 1.11 -1.86 2.04 2.07 -1.00 -3.48 116.25 120.61 1jdi h VAL 67 Ca -0.25 -2.89 -0.01 0.00 0.82 0.00 0.00 66.70 64.38 1jdi h VAL 67 Cb 1.09 2.59 -0.22 0.00 -1.52 0.00 0.00 31.29 33.23 1jdi h VAL 67 CO 0.97 0.69 0.26 -0.70 0.02 0.00 0.00 177.57 178.81 1jdi s GLU 68 N -2.63 0.77 0.00 1.57 2.12 -1.15 -5.01 118.70 114.37 1jdi s GLU 68 Ca -0.05 0.70 0.00 0.00 0.36 0.00 0.00 54.97 55.98 1jdi s GLU 68 Cb 0.08 0.37 0.00 0.00 0.26 0.00 0.00 34.13 34.84 1jdi s GLU 68 CO 0.82 -0.14 0.00 0.41 -0.54 0.00 0.00 175.26 175.82 1jdi n GLY 69 N 2.09 4.49 0.16 -1.50 0.00 -1.26 -0.90 105.19 108.27 1jdi n GLY 69 Ca -0.14 -0.99 0.08 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.09 4.61 0.00 -1.87 -3.47 119.26 117.20 1jdi h ALA 70 Ca 0.00 -0.23 -0.46 0.00 0.00 0.00 0.00 54.91 54.22 1jdi h ALA 70 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1jdi h ALA 70 CO 0.00 0.29 -0.33 0.15 0.00 0.00 0.00 179.25 179.36 1jdi s LYS 71 N -3.14 3.33 0.15 0.00 1.02 -1.26 -5.08 119.74 114.76 1jdi s LYS 71 Ca 0.03 -0.71 -0.30 0.00 0.02 0.00 0.00 55.97 55.01 1jdi s LYS 71 Cb 0.07 -2.80 -0.07 0.00 -0.52 0.00 0.00 37.83 34.52 1jdi s LYS 71 CO 0.73 0.22 1.02 0.21 -0.92 0.00 0.00 175.35 176.61 1jdi s LYS 72 N -4.15 4.67 0.85 1.68 2.20 -1.26 -4.90 119.74 118.82 1jdi s LYS 72 Ca 0.39 1.57 -0.11 0.00 -0.36 0.00 0.00 55.97 57.46 1jdi s LYS 72 Cb -0.09 -3.33 0.10 0.00 -1.51 0.00 0.00 37.83 33.00 1jdi s LYS 72 CO 0.32 0.18 1.09 -1.25 -0.36 0.00 0.00 175.35 175.33 1jdi s PRO 73 N -0.23 1.65 0.32 4.03 0.04 -1.26 0.50 135.00 140.06 1jdi s PRO 73 Ca 0.48 1.05 -0.28 0.00 0.04 0.00 0.00 61.00 62.29 1jdi s PRO 73 Cb -0.26 -1.84 -0.13 0.00 0.04 0.00 0.00 34.50 32.32 1jdi s PRO 73 CO 0.32 -2.03 1.21 0.45 0.04 0.00 0.00 177.00 176.99 1jdi n SER 74 N -3.77 2.35 0.03 6.66 2.88 -0.61 -3.85 113.62 117.31 1jdi n SER 74 Ca 0.08 1.20 0.03 0.00 -1.33 0.00 0.00 58.87 58.85 1jdi n SER 74 Cb 0.54 -1.43 0.14 0.00 -0.75 0.00 0.00 64.21 62.71 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 0.92 0.10 -0.62 -3.46 3.41 -1.26 -0.48 113.62 112.24 1jdi n SER 75 Ca 0.06 0.54 0.13 0.00 -0.26 0.00 0.00 58.87 59.34 1jdi n SER 75 Cb 0.35 -0.56 0.40 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 -1.63 1.90 -0.27 4.04 10.43 -1.26 -4.49 116.55 125.27 1jdi n ASP 76 Ca 0.00 -1.66 0.08 0.00 2.57 0.00 0.00 54.79 55.79 1jdi n ASP 76 Cb 0.03 -0.04 0.22 0.00 1.84 0.00 0.00 41.12 43.17 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 2.84 0.43 -0.81 -3.53 2.02 -1.12 -1.30 112.91 111.44 1jdi h THR 77 Ca 0.00 -0.08 0.06 0.00 0.77 0.00 0.00 66.41 67.15 1jdi h THR 77 Cb 0.61 0.17 -0.05 0.00 -1.74 0.00 0.00 68.15 67.14 1jdi h THR 77 CO 0.00 0.04 0.53 -0.65 0.37 0.00 0.00 175.52 175.81 1jdi h PRO 78 N 0.24 0.88 -0.34 6.66 0.11 -1.83 0.42 132.00 138.14 1jdi h PRO 78 Ca 0.46 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.47 1jdi h PRO 78 Cb 0.85 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.75 1jdi h PRO 78 CO -0.58 0.58 -0.00 1.15 -0.21 0.00 0.00 178.00 178.95 1jdi h THR 79 N 0.91 1.26 0.27 -1.15 2.02 -1.28 -1.18 112.91 113.76 1jdi h THR 79 Ca 0.34 -0.97 -0.01 0.00 0.77 0.00 0.00 66.41 66.55 1jdi h THR 79 Cb 0.18 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1jdi h THR 79 CO -0.12 0.32 -0.19 0.45 0.37 0.00 0.00 175.52 176.35 1jdi h HIS 80 N 0.40 -0.50 -0.30 3.16 3.86 -1.05 -1.69 115.15 119.05 1jdi h HIS 80 Ca 0.10 -0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.37 1jdi h HIS 80 Cb 0.45 0.18 -0.07 0.00 1.06 0.00 0.00 27.41 29.04 1jdi h HIS 80 CO 0.04 -0.29 -0.17 -0.09 0.86 0.00 0.00 177.93 178.28 1jdi h ARG 81 N -0.46 -0.13 -0.32 2.45 2.43 -0.86 -0.24 114.38 117.26 1jdi h ARG 81 Ca -0.02 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.21 1jdi h ARG 81 Cb 0.39 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.92 1jdi h ARG 81 CO 0.00 -0.08 0.01 1.25 -1.51 0.00 0.00 179.97 179.64 1jdi h LEU 82 N -0.13 -0.12 -0.76 3.80 7.12 -1.09 -1.65 115.31 122.49 1jdi h LEU 82 Ca 0.16 0.07 0.04 0.00 0.13 0.00 0.00 57.88 58.27 1jdi h LEU 82 Cb 0.37 0.12 -0.05 0.00 -0.53 0.00 0.00 40.66 40.57 1jdi h LEU 82 CO -0.38 -0.02 0.47 -0.07 -0.13 0.00 0.00 178.44 178.32 1jdi h LEU 83 N 0.10 0.77 -1.11 2.25 3.38 -0.37 0.35 115.31 120.69 1jdi h LEU 83 Ca 0.16 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1jdi h LEU 83 Cb 0.21 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1jdi h LEU 83 CO -0.26 0.53 0.26 1.88 0.09 0.00 0.00 178.44 180.94 1jdi h TYR 84 N 0.92 0.89 -0.28 1.13 0.05 -0.46 0.14 116.97 119.36 1jdi h TYR 84 Ca 0.31 -0.04 -0.16 0.00 0.05 0.00 0.00 58.73 58.89 1jdi h TYR 84 Cb 0.04 -0.28 -0.00 0.00 1.01 0.00 0.00 36.73 37.51 1jdi h TYR 84 CO -0.04 0.68 -0.43 1.96 -1.05 0.00 0.00 178.16 179.28 1jdi h GLN 85 N 0.88 0.79 0.01 4.88 4.20 -0.53 -3.33 115.11 122.02 1jdi h GLN 85 Ca 0.21 -0.47 -0.24 0.00 0.06 0.00 0.00 58.65 58.21 1jdi h GLN 85 Cb 0.15 0.04 0.01 0.00 0.30 0.00 0.00 27.48 27.98 1jdi h GLN 85 CO -0.02 1.10 -1.00 0.00 -0.67 0.00 0.00 178.83 178.24 1jdi h ALA 86 N 0.68 0.27 -3.17 3.87 0.00 -0.67 -3.41 119.26 116.82 1jdi h ALA 86 Ca 0.03 -0.72 -0.69 0.00 0.00 0.00 0.00 54.91 53.53 1jdi h ALA 86 Cb 1.03 0.01 -0.35 0.00 0.00 0.00 0.00 17.79 18.48 1jdi h ALA 86 CO 0.10 0.78 -0.49 -0.06 0.00 0.00 0.00 179.25 179.58 1jdi s PHE 87 N -3.24 3.52 0.28 0.00 0.08 0.45 -4.97 117.98 114.10 1jdi s PHE 87 Ca -0.07 -2.57 -0.00 0.00 0.12 0.00 0.00 56.93 54.41 1jdi s PHE 87 Cb 0.08 -3.19 0.49 0.00 -0.57 0.00 0.00 43.02 39.83 1jdi s PHE 87 CO 0.89 -0.92 1.88 -1.35 -0.10 0.00 0.00 175.22 175.62 1jdi h PRO 88 N 7.63 1.04 -0.12 0.24 0.11 -1.80 -3.04 132.00 136.06 1jdi h PRO 88 Ca -0.09 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.91 1jdi h PRO 88 Cb 1.01 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.87 1jdi h PRO 88 CO 0.70 0.69 -0.13 0.66 -0.21 0.00 0.00 178.00 179.71 1jdi h SER 89 N 1.08 0.18 -3.96 -2.05 4.64 -1.93 -3.45 113.55 108.06 1jdi h SER 89 Ca 0.44 -0.03 -0.50 0.00 -0.47 0.00 0.00 61.79 61.22 1jdi h SER 89 Cb 0.27 -0.05 0.04 0.00 -0.31 0.00 0.00 62.40 62.36 1jdi h SER 89 CO -0.19 0.34 0.47 0.27 -0.87 0.00 0.00 176.83 176.85 1jdi s ILE 90 N -4.73 3.30 0.00 0.95 -4.36 -1.15 -4.79 121.20 110.43 1jdi s ILE 90 Ca -0.05 1.05 0.00 0.00 -0.26 0.00 0.00 60.65 61.39 1jdi s ILE 90 Cb 0.16 -3.57 0.00 0.00 1.25 0.00 0.00 42.46 40.30 1jdi s ILE 90 CO 0.72 0.06 0.00 0.61 0.24 0.00 0.00 174.94 176.57 1jdi n GLY 91 N 0.54 0.99 3.25 6.27 0.00 0.59 -4.92 105.19 111.92 1jdi n GLY 91 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.82 -0.23 -0.02 -0.02 0.00 -0.63 -0.84 107.32 104.76 1jdi s GLY 92 Ca 0.00 0.74 0.03 0.00 0.00 0.00 0.00 44.72 45.49 1jdi s GLY 92 CO 0.00 0.56 -0.11 -0.42 0.00 0.00 0.00 173.10 173.14 1jdi s ILE 93 N -0.47 0.86 -0.06 0.90 1.01 0.23 -1.28 121.20 122.39 1jdi s ILE 93 Ca -0.06 -0.44 0.03 0.00 0.00 0.00 0.00 60.65 60.18 1jdi s ILE 93 Cb -0.04 -0.74 0.01 0.00 0.01 0.00 0.00 42.46 41.70 1jdi s ILE 93 CO 0.02 0.25 -0.14 -0.69 0.00 0.00 0.00 174.94 174.39 1jdi s VAL 94 N -0.09 1.26 -0.09 2.92 1.01 0.11 -1.19 120.40 124.33 1jdi s VAL 94 Ca 0.01 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.46 1jdi s VAL 94 Cb -0.06 -1.12 0.01 0.00 0.00 0.00 0.00 36.38 35.20 1jdi s VAL 94 CO -0.00 0.38 -0.18 -2.28 0.00 0.00 0.00 175.10 173.02 1jdi s HIS 95 N 0.48 2.00 0.26 5.22 5.04 -0.02 -0.31 115.29 127.96 1jdi s HIS 95 Ca -0.12 -0.81 -0.05 0.00 -1.54 0.00 0.00 55.06 52.54 1jdi s HIS 95 Cb -0.15 -1.39 -0.02 0.00 0.04 0.00 0.00 32.58 31.07 1jdi s HIS 95 CO 0.04 -0.36 0.36 0.95 -2.34 0.00 0.00 174.74 173.39 1jdi s THR 96 N 0.55 0.00 -0.33 0.89 -4.23 -1.18 -0.64 115.64 110.70 1jdi s THR 96 Ca -0.16 -1.67 0.07 0.00 -1.18 0.00 0.00 61.69 58.75 1jdi s THR 96 Cb -0.17 -2.42 0.45 0.00 1.34 0.00 0.00 72.50 71.70 1jdi s THR 96 CO 0.06 0.00 1.17 1.41 -0.54 0.00 0.00 174.62 176.71 1jdi n HIS 97 N -0.41 2.89 -1.68 3.99 8.25 -1.26 -3.40 115.22 123.61 1jdi n HIS 97 Ca 0.01 -2.45 -0.49 0.00 -0.26 0.00 0.00 57.72 54.53 1jdi n HIS 97 Cb 0.63 -0.27 -0.05 0.00 1.12 0.00 0.00 29.99 31.42 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 -0.65 3.19 -0.05 0.41 3.41 -1.14 -4.73 113.62 114.07 1jdi n SER 98 Ca 0.42 1.02 -0.01 0.00 -0.26 0.00 0.00 58.87 60.03 1jdi n SER 98 Cb 0.89 -1.36 -0.01 0.00 -0.26 0.00 0.00 64.21 63.47 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 5.54 -0.05 0.07 4.33 1.74 -1.26 -1.06 116.66 125.98 1jdi n ARG 99 Ca 0.21 0.30 -0.07 0.00 -0.77 0.00 0.00 57.85 57.52 1jdi n ARG 99 Cb 0.27 -0.45 0.06 0.00 -1.02 0.00 0.00 32.46 31.33 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 0.37 -0.34 -1.55 3.86 -1.88 -0.31 115.15 115.30 1jdi h HIS 100 Ca 0.02 -0.16 -0.13 0.00 -1.16 0.00 0.00 60.37 58.93 1jdi h HIS 100 Cb 0.04 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 1jdi h HIS 100 CO -0.24 0.89 -0.31 0.00 0.86 0.00 0.00 177.93 179.13 1jdi h ALA 101 N 1.06 0.81 -0.05 2.45 0.00 -1.62 -2.62 119.26 119.29 1jdi h ALA 101 Ca -0.02 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 1jdi h ALA 101 Cb 1.26 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1jdi h ALA 101 CO 0.11 0.65 -0.48 1.15 0.00 0.00 0.00 179.25 180.67 1jdi h THR 102 N 0.63 1.35 -0.54 0.00 2.02 -0.95 -1.80 112.91 113.61 1jdi h THR 102 Ca 0.07 -1.69 0.00 0.00 0.77 0.00 0.00 66.41 65.57 1jdi h THR 102 Cb 0.84 1.85 -0.03 0.00 -1.74 0.00 0.00 68.15 69.07 1jdi h THR 102 CO 0.07 0.49 0.35 0.40 0.37 0.00 0.00 175.52 177.21 1jdi h ILE 103 N 0.11 1.15 -0.69 3.11 2.04 -0.69 0.20 117.51 122.73 1jdi h ILE 103 Ca 0.00 -0.28 -0.07 0.00 1.00 0.00 0.00 64.86 65.51 1jdi h ILE 103 Cb 0.90 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1jdi h ILE 103 CO 0.07 0.14 0.14 -0.50 0.00 0.00 0.00 178.15 178.00 1jdi h TRP 104 N 0.74 1.18 -0.35 1.37 4.06 -1.18 -1.38 115.95 120.39 1jdi h TRP 104 Ca 0.20 -0.15 -0.01 0.00 2.06 0.00 0.00 58.89 60.99 1jdi h TRP 104 Cb -0.07 -0.33 -0.02 0.00 -1.00 0.00 0.00 29.16 27.74 1jdi h TRP 104 CO -0.03 0.98 0.19 0.00 -3.56 0.00 0.00 178.44 176.01 1jdi h ALA 105 N 1.08 0.44 -0.36 1.49 0.00 -0.60 -0.54 119.26 120.78 1jdi h ALA 105 Ca 0.21 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1jdi h ALA 105 Cb 0.41 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1jdi h ALA 105 CO 0.01 -0.03 -0.02 1.96 0.00 0.00 0.00 179.25 181.17 1jdi h GLN 106 N 0.44 0.58 0.00 0.00 4.20 -0.44 0.10 115.11 119.99 1jdi h GLN 106 Ca 0.12 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1jdi h GLN 106 Cb 0.06 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1jdi h GLN 106 CO -0.02 0.62 0.00 0.00 -0.67 0.00 0.00 178.83 178.76 1jdi n ALA 107 N -2.48 2.15 -3.61 3.87 0.00 -0.54 -4.49 120.51 115.42 1jdi n ALA 107 Ca 0.02 -0.10 -0.25 0.00 0.00 0.00 0.00 53.44 53.11 1jdi n ALA 107 Cb 0.27 -1.38 0.06 0.00 0.00 0.00 0.00 19.45 18.40 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 0.79 -0.54 3.30 0.00 0.00 -0.12 -5.00 105.19 103.63 1jdi n GLY 108 Ca 0.09 0.23 -0.24 0.00 0.00 0.00 0.00 46.02 46.11 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 -6.32 1.18 0.23 1.61 -0.21 -0.84 -5.00 119.66 110.31 1jdi s GLN 109 Ca 0.58 -1.24 -0.16 0.00 0.02 0.00 0.00 55.36 54.56 1jdi s GLN 109 Cb -0.26 -1.41 -0.08 0.00 1.00 0.00 0.00 33.01 32.26 1jdi s GLN 109 CO 0.72 0.32 0.67 -1.12 -2.12 0.00 0.00 175.29 173.75 1jdi s SER 110 N -2.11 6.89 -0.43 5.90 0.01 -1.26 -4.56 113.70 118.14 1jdi s SER 110 Ca 0.09 1.26 -0.23 0.00 1.31 0.00 0.00 55.95 58.38 1jdi s SER 110 Cb -0.09 -2.36 0.02 0.00 0.21 0.00 0.00 66.02 63.80 1jdi s SER 110 CO 0.05 -0.02 0.79 -0.63 0.41 0.00 0.00 173.24 173.84 1jdi s ILE 111 N -1.65 4.66 0.52 1.44 1.01 -0.70 -4.93 121.20 121.55 1jdi s ILE 111 Ca 0.45 0.55 -0.18 0.00 0.00 0.00 0.00 60.65 61.46 1jdi s ILE 111 Cb -0.14 -4.30 -0.07 0.00 0.01 0.00 0.00 42.46 37.96 1jdi s ILE 111 CO 0.20 -0.66 1.03 -2.16 0.00 0.00 0.00 174.94 173.34 1jdi s PRO 112 N 3.27 3.73 -0.45 2.79 0.04 -1.26 -1.18 135.00 141.94 1jdi s PRO 112 Ca 0.30 1.23 -0.29 0.00 0.04 0.00 0.00 61.00 62.28 1jdi s PRO 112 Cb -0.12 -2.09 0.03 0.00 0.04 0.00 0.00 34.50 32.35 1jdi s PRO 112 CO 0.22 -0.48 1.14 0.00 0.04 0.00 0.00 177.00 177.92 1jdi s ALA 113 N -2.24 3.22 0.00 8.56 0.00 -1.26 -4.83 121.76 125.21 1jdi s ALA 113 Ca 0.64 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.22 1jdi s ALA 113 Cb -0.14 -3.86 0.00 0.00 0.00 0.00 0.00 23.12 19.12 1jdi s ALA 113 CO 0.26 -2.12 0.67 0.25 0.00 0.00 0.00 175.76 174.82 1jdi n THR 114 N 6.67 0.43 -3.68 0.00 -2.24 -1.26 -0.70 114.28 113.49 1jdi n THR 114 Ca 0.12 -0.63 -0.11 0.00 -2.27 0.00 0.00 64.05 61.16 1jdi n THR 114 Cb 0.49 0.87 -0.06 0.00 -2.10 0.00 0.00 70.33 69.53 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 -0.43 -0.21 0.51 3.38 0.00 -1.26 -4.75 107.32 104.56 1jdi s GLY 115 Ca 0.00 -0.03 0.27 0.00 0.00 0.00 0.00 44.72 44.96 1jdi s GLY 115 CO 0.00 -0.27 2.03 -0.91 0.00 0.00 0.00 173.10 173.95 1jdi h THR 116 N 2.65 0.57 -0.23 0.90 1.35 -1.97 -1.51 112.91 114.66 1jdi h THR 116 Ca -0.33 -0.63 0.02 0.00 -0.55 0.00 0.00 66.41 64.93 1jdi h THR 116 Cb 1.23 1.41 -0.03 0.00 -1.73 0.00 0.00 68.15 69.04 1jdi h THR 116 CO 0.47 0.13 0.07 0.74 -0.25 0.00 0.00 175.52 176.69 1jdi h THR 117 N 0.00 0.93 -0.18 6.82 2.02 -2.00 -1.10 112.91 119.39 1jdi h THR 117 Ca -0.00 -0.06 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 1jdi h THR 117 Cb 0.40 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1jdi h THR 117 CO 0.02 0.03 -0.00 -0.74 0.37 0.00 0.00 175.52 175.20 1jdi h HIS 118 N 0.17 0.35 -0.33 3.16 6.17 -1.80 -3.06 115.15 119.82 1jdi h HIS 118 Ca 0.10 -0.06 0.09 0.00 0.71 0.00 0.00 60.37 61.21 1jdi h HIS 118 Cb 0.08 -0.09 -0.01 0.00 2.52 0.00 0.00 27.41 29.90 1jdi h HIS 118 CO -0.13 0.53 0.26 0.00 0.71 0.00 0.00 177.93 179.30 1jdi h ALA 119 N 0.78 2.21 0.00 5.26 0.00 -0.86 0.34 119.26 126.98 1jdi h ALA 119 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1jdi h ALA 119 Cb 0.39 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1jdi h ALA 119 CO 0.01 -0.43 0.00 -0.44 0.00 0.00 0.00 179.25 178.39 1jdi h ASP 120 N 0.00 0.00 0.00 0.00 3.45 -1.10 -2.93 116.42 115.84 1jdi h ASP 120 Ca 0.15 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.61 1jdi h ASP 120 Cb 0.67 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.44 1jdi h ASP 120 CO -0.00 0.00 -0.89 -1.22 -1.57 0.00 0.00 179.24 175.56 1jdi n TYR 121 N -3.07 0.00 -4.01 4.55 4.02 -0.26 -4.83 117.16 113.56 1jdi n TYR 121 Ca 0.01 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.64 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 -1.84 1.39 -1.43 -0.72 0.08 -0.05 -4.52 117.98 110.89 1jdi s PHE 122 Ca 0.00 -0.64 -0.15 0.00 0.12 0.00 0.00 56.93 56.26 1jdi s PHE 122 Cb 0.00 -1.15 0.04 0.00 -0.57 0.00 0.00 43.02 41.34 1jdi s PHE 122 CO 0.00 -0.45 2.14 0.98 -0.10 0.00 0.00 175.22 177.79 1jdi n TYR 123 N 4.74 3.73 0.00 0.36 9.36 -0.40 -4.28 117.16 130.67 1jdi n TYR 123 Ca -0.14 -2.95 0.00 0.00 3.32 0.00 0.00 57.90 58.13 1jdi n TYR 123 Cb 0.50 -2.57 0.00 0.00 -0.63 0.00 0.00 39.34 36.64 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 4.33 0.03 3.71 2.98 0.00 -1.26 -4.90 105.19 110.07 1jdi n GLY 124 Ca 0.51 -2.25 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 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 2.39 -0.42 2.61 2.01 -1.26 -4.48 115.64 116.49 1jdi s THR 125 Ca 0.00 0.24 -0.29 0.00 0.31 0.00 0.00 61.69 61.95 1jdi s THR 125 Cb 0.00 -3.15 0.02 0.00 0.01 0.00 0.00 72.50 69.38 1jdi s THR 125 CO 0.00 0.02 1.11 -0.63 -0.69 0.00 0.00 174.62 174.43 1jdi s ILE 126 N 1.39 4.32 0.51 1.82 1.01 -0.32 -4.94 121.20 124.99 1jdi s ILE 126 Ca 0.73 1.42 -0.21 0.00 0.00 0.00 0.00 60.65 62.59 1jdi s ILE 126 Cb -0.46 -4.53 -0.06 0.00 0.01 0.00 0.00 42.46 37.41 1jdi s ILE 126 CO 0.32 -0.81 1.15 -2.16 0.00 0.00 0.00 174.94 173.44 1jdi s PRO 127 N 4.15 3.51 -0.11 2.79 0.04 -1.26 -1.72 135.00 142.41 1jdi s PRO 127 Ca 0.47 1.68 0.02 0.00 0.04 0.00 0.00 61.00 63.22 1jdi s PRO 127 Cb -0.09 -2.17 -0.01 0.00 0.04 0.00 0.00 34.50 32.27 1jdi s PRO 127 CO 0.26 -0.73 -0.19 0.00 0.04 0.00 0.00 177.00 176.37 1jdi s THR 129 N 0.28 2.34 0.96 0.00 -4.23 0.96 -4.88 115.64 111.08 1jdi s THR 129 Ca -0.14 0.11 -0.15 0.00 -1.18 0.00 0.00 61.69 60.33 1jdi s THR 129 Cb -0.17 -2.62 0.18 0.00 1.34 0.00 0.00 72.50 71.23 1jdi s THR 129 CO 0.07 -0.15 1.22 0.00 -0.54 0.00 0.00 174.62 175.22 1jdi s ARG 130 N -4.97 0.69 0.64 3.99 1.70 -1.26 -4.01 118.95 115.73 1jdi s ARG 130 Ca 0.64 -0.09 -0.15 0.00 -0.47 0.00 0.00 55.73 55.66 1jdi s ARG 130 Cb -0.18 -1.82 -0.01 0.00 -0.57 0.00 0.00 34.95 32.37 1jdi s ARG 130 CO 0.57 -2.43 1.10 0.15 -1.08 0.00 0.00 175.30 173.60 1jdi s LYS 131 N -5.61 2.94 0.33 3.89 1.02 -1.26 -4.48 119.74 116.57 1jdi s LYS 131 Ca 0.69 1.34 -0.12 0.00 0.02 0.00 0.00 55.97 57.90 1jdi s LYS 131 Cb -0.09 -1.97 -0.08 0.00 -0.52 0.00 0.00 37.83 35.17 1jdi s LYS 131 CO 0.53 -1.13 0.70 -1.64 -0.92 0.00 0.00 175.35 172.88 1jdi s MET 132 N -4.09 3.88 0.65 1.68 -1.94 -1.26 -5.07 119.30 113.15 1jdi s MET 132 Ca 0.66 0.50 -0.11 0.00 -1.71 0.00 0.00 55.69 55.04 1jdi s MET 132 Cb -0.19 -2.47 -0.01 0.00 2.01 0.00 0.00 34.83 34.16 1jdi s MET 132 CO 0.40 0.14 1.04 0.95 -0.01 0.00 0.00 175.02 177.54 1jdi s THR 133 N -2.06 4.07 0.27 2.05 -4.23 -1.26 -4.85 115.64 109.62 1jdi s THR 133 Ca 0.51 0.59 -0.05 0.00 -1.18 0.00 0.00 61.69 61.57 1jdi s THR 133 Cb -0.10 -3.65 0.26 0.00 1.34 0.00 0.00 72.50 70.34 1jdi s THR 133 CO 0.23 -0.84 1.94 0.44 -0.54 0.00 0.00 174.62 175.85 1jdi h ASP 134 N -0.44 1.09 -0.38 3.99 3.32 -1.98 0.79 116.42 122.81 1jdi h ASP 134 Ca -0.45 -0.03 0.03 0.00 0.02 0.00 0.00 57.03 56.60 1jdi h ASP 134 Cb 1.23 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.47 1jdi h ASP 134 CO 0.63 0.79 0.20 0.00 -1.72 0.00 0.00 179.24 179.14 1jdi h ALA 135 N 1.40 0.47 -0.24 3.45 0.00 -1.97 0.27 119.26 122.65 1jdi h ALA 135 Ca 0.35 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 1jdi h ALA 135 Cb -0.14 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1jdi h ALA 135 CO -0.07 -0.16 0.09 0.93 0.00 0.00 0.00 179.25 180.03 1jdi h GLU 136 N 0.40 0.36 -0.69 0.00 5.08 -1.73 -0.44 114.58 117.56 1jdi h GLU 136 Ca 0.16 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1jdi h GLU 136 Cb 0.06 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1jdi h GLU 136 CO -0.10 0.42 0.22 0.82 -1.00 0.00 0.00 179.01 179.36 1jdi h ILE 137 N 0.22 1.25 -0.00 3.13 2.04 -0.52 -2.90 117.51 120.74 1jdi h ILE 137 Ca 0.08 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 65.06 1jdi h ILE 137 Cb 0.20 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 1jdi h ILE 137 CO -0.00 0.34 -0.16 0.59 0.00 0.00 0.00 178.15 178.92 1jdi n ASN 138 N -4.32 0.29 0.00 1.72 3.02 0.91 -4.38 115.26 112.50 1jdi n ASN 138 Ca 0.05 -0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 1jdi n ASN 138 Cb 0.22 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 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 0.82 3.48 7.41 0.00 -0.18 -4.87 105.19 113.25 1jdi n GLY 139 Ca 0.10 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 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 3.27 -0.12 1.61 -0.58 -1.26 -4.89 120.64 118.66 1jdi n GLU 140 Ca 0.00 -3.49 -0.04 0.00 -0.42 0.00 0.00 57.16 53.21 1jdi n GLU 140 Cb 0.00 -3.29 -0.03 0.00 -0.57 0.00 0.00 31.44 27.55 1jdi n GLU 140 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 1jdi h TYR 141 N 7.26 -0.65 -0.78 -0.32 3.20 -1.77 0.46 116.97 124.38 1jdi h TYR 141 Ca 0.40 0.04 0.06 0.00 3.14 0.00 0.00 58.73 62.37 1jdi h TYR 141 Cb 0.85 0.32 -0.06 0.00 1.54 0.00 0.00 36.73 39.39 1jdi h TYR 141 CO 1.29 -0.14 0.47 0.93 -1.64 0.00 0.00 178.16 179.07 1jdi h GLU 142 N -0.03 0.84 -0.53 1.82 3.07 -1.90 0.35 114.58 118.20 1jdi h GLU 142 Ca 0.05 -0.05 -0.06 0.00 -0.50 0.00 0.00 59.36 58.80 1jdi h GLU 142 Cb 0.16 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 1jdi h GLU 142 CO -0.30 0.55 0.09 2.35 -1.40 0.00 0.00 179.01 180.30 1jdi h TRP 143 N 0.86 0.93 -0.24 4.33 2.91 -1.68 -2.35 115.95 120.70 1jdi h TRP 143 Ca 0.35 -0.13 -0.07 0.00 1.13 0.00 0.00 58.89 60.17 1jdi h TRP 143 Cb 0.18 -0.25 -0.01 0.00 -0.51 0.00 0.00 29.16 28.56 1jdi h TRP 143 CO -0.05 0.83 -0.15 1.49 -1.03 0.00 0.00 178.44 179.53 1jdi h GLU 144 N 0.76 0.41 -0.96 2.65 4.57 0.88 -1.29 114.58 121.60 1jdi h GLU 144 Ca 0.16 -0.12 0.01 0.00 -1.18 0.00 0.00 59.36 58.23 1jdi h GLU 144 Cb 0.40 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.90 1jdi h GLU 144 CO 0.01 0.56 0.63 1.15 -1.18 0.00 0.00 179.01 180.19 1jdi h THR 145 N 0.38 1.24 -0.52 0.32 2.02 0.13 -0.43 112.91 116.05 1jdi h THR 145 Ca 0.07 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 1jdi h THR 145 Cb 0.50 -0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 1jdi h THR 145 CO 0.03 0.24 0.28 1.23 0.37 0.00 0.00 175.52 177.67 1jdi h GLY 146 N 1.29 0.77 0.93 2.16 0.00 -0.76 -2.34 103.07 105.12 1jdi h GLY 146 Ca 0.35 -0.35 0.02 0.00 0.00 0.00 0.00 47.33 47.35 1jdi h GLY 146 CO -0.08 0.34 0.35 3.43 0.00 0.00 0.00 176.54 180.58 1jdi h ASN 147 N 0.69 0.58 -0.82 0.19 2.35 -0.49 -1.37 115.58 116.72 1jdi h ASN 147 Ca 0.18 -0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.93 1jdi h ASN 147 Cb 0.05 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.25 1jdi h ASN 147 CO -0.03 0.41 0.54 0.58 -1.65 0.00 0.00 177.43 177.28 1jdi h VAL 148 N 0.70 1.22 -0.04 2.81 2.07 -0.87 0.21 116.25 122.35 1jdi h VAL 148 Ca 0.21 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1jdi h VAL 148 Cb -0.02 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 29.76 1jdi h VAL 148 CO -0.08 0.21 0.01 0.40 0.02 0.00 0.00 177.57 178.14 1jdi h ILE 149 N 1.12 1.16 -0.58 4.57 2.04 -0.87 -0.57 117.51 124.38 1jdi h ILE 149 Ca 0.30 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1jdi h ILE 149 Cb -0.11 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 1jdi h ILE 149 CO -0.06 0.13 0.34 0.58 0.00 0.00 0.00 178.15 179.13 1jdi h VAL 150 N -0.12 1.18 -0.85 1.67 2.07 -0.71 -1.99 116.25 117.50 1jdi h VAL 150 Ca 0.01 -0.42 0.05 0.00 0.82 0.00 0.00 66.70 67.16 1jdi h VAL 150 Cb 0.19 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.32 1jdi h VAL 150 CO -0.00 0.19 0.53 -0.08 0.02 0.00 0.00 177.57 178.23 1jdi h GLU 151 N 0.78 0.98 -0.25 1.57 4.81 -0.45 -0.86 114.58 121.17 1jdi h GLU 151 Ca 0.21 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.40 1jdi h GLU 151 Cb 0.01 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.14 1jdi h GLU 151 CO -0.04 0.65 0.08 1.15 -0.73 0.00 0.00 179.01 180.12 1jdi h THR 152 N 1.01 0.93 -0.67 0.32 2.02 -0.39 -0.21 112.91 115.92 1jdi h THR 152 Ca 0.35 -0.06 -0.08 0.00 0.77 0.00 0.00 66.41 67.39 1jdi h THR 152 Cb 0.08 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 1jdi h THR 152 CO -0.14 0.03 0.11 -0.26 0.37 0.00 0.00 175.52 175.63 1jdi h PHE 153 N 0.19 1.16 0.56 3.16 -1.00 -0.88 -2.61 116.94 117.51 1jdi h PHE 153 Ca 0.11 -0.16 -0.03 0.00 2.81 0.00 0.00 57.97 60.70 1jdi h PHE 153 Cb 0.08 -0.32 0.01 0.00 3.61 0.00 0.00 35.95 39.33 1jdi h PHE 153 CO -0.13 0.97 -0.27 0.93 -1.61 0.00 0.00 178.31 178.20 1jdi h GLU 154 N 1.02 -0.72 -0.09 1.51 5.08 -0.81 0.40 114.58 120.97 1jdi h GLU 154 Ca 0.20 0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.64 1jdi h GLU 154 Cb 0.43 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1jdi h GLU 154 CO 0.01 -0.42 0.08 0.87 -1.00 0.00 0.00 179.01 178.55 1jdi h LYS 155 N -1.07 0.00 -0.24 2.33 1.57 -1.12 -1.35 116.57 116.69 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 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 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 -4.11 2.41 -3.64 3.15 6.02 -0.99 -4.98 117.38 115.24 1jdi n GLN 156 Ca -0.01 -2.09 -0.24 0.00 -0.01 0.00 0.00 57.00 54.65 1jdi n GLN 156 Cb 0.19 -1.49 0.07 0.00 1.02 0.00 0.00 30.24 30.02 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 1.43 -0.48 3.51 1.08 0.00 -0.48 -4.99 105.19 105.25 1jdi n GLY 157 Ca 0.17 0.21 -0.34 0.00 0.00 0.00 0.00 46.02 46.06 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 3.66 -0.35 -0.61 2.07 0.01 -5.04 121.20 117.59 1jdi s ILE 158 Ca 0.45 -0.46 -0.26 0.00 -1.41 0.00 0.00 60.65 58.96 1jdi s ILE 158 Cb -0.20 -2.55 0.01 0.00 0.13 0.00 0.00 42.46 39.85 1jdi s ILE 158 CO 0.76 0.54 0.95 -0.62 -1.91 0.00 0.00 174.94 174.66 1jdi s ASP 159 N -0.09 6.75 0.62 4.50 3.68 -1.26 -4.64 116.67 126.22 1jdi s ASP 159 Ca 0.01 0.73 0.29 0.00 2.13 0.00 0.00 52.55 55.71 1jdi s ASP 159 Cb -0.13 -2.48 1.56 0.00 -1.45 0.00 0.00 42.92 40.41 1jdi s ASP 159 CO 0.03 -0.84 1.93 0.00 0.13 0.00 0.00 175.17 176.42 1jdi h ALA 160 N 8.33 1.79 0.00 3.66 0.00 -1.96 0.38 119.26 131.47 1jdi h ALA 160 Ca -0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1jdi h ALA 160 Cb 1.08 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1jdi h ALA 160 CO 0.99 -0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.73 1jdi n ALA 161 N -2.16 2.21 0.49 0.00 0.00 -1.26 -3.39 120.51 116.39 1jdi n ALA 161 Ca 0.03 -0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.51 1jdi n ALA 161 Cb 0.51 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.45 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 -2.20 3.40 -3.54 0.00 6.02 0.13 -4.76 117.38 116.42 1jdi n GLN 162 Ca 0.05 -0.06 -0.27 0.00 -0.01 0.00 0.00 57.00 56.71 1jdi n GLN 162 Cb 0.40 -1.00 -0.11 0.00 1.02 0.00 0.00 30.24 30.55 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 -1.15 0.72 -0.19 -1.09 1.56 -0.83 -1.27 117.12 114.88 1jdi n MET 163 Ca 0.02 -3.59 0.00 0.00 -0.27 0.00 0.00 57.70 53.86 1jdi n MET 163 Cb 0.17 -1.85 0.00 0.00 2.15 0.00 0.00 33.22 33.69 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 2.52 0.61 -3.46 2.12 -0.04 -1.25 -4.71 135.00 130.78 1jdi n PRO 164 Ca 0.27 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.62 1jdi n PRO 164 Cb 0.44 -1.19 -0.02 0.00 -0.04 0.00 0.00 33.50 32.69 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 1.60 -0.54 -0.05 0.55 0.00 -1.26 -1.75 107.32 105.87 1jdi s GLY 165 Ca 0.00 0.75 -0.30 0.00 0.00 0.00 0.00 44.72 45.18 1jdi s GLY 165 CO 0.00 0.25 0.76 0.54 0.00 0.00 0.00 173.10 174.66 1jdi s VAL 166 N -3.42 0.00 -0.15 1.40 0.11 -0.21 -4.57 120.40 113.57 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 -0.11 0.00 -0.12 -0.76 -3.33 0.00 0.00 175.10 170.79 1jdi s LEU 167 N -1.47 2.73 -0.37 2.54 1.43 0.71 -1.20 118.68 123.05 1jdi s LEU 167 Ca -0.06 -0.35 -0.18 0.00 -1.03 0.00 0.00 54.13 52.51 1jdi s LEU 167 Cb -0.00 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.59 1jdi s LEU 167 CO 0.04 0.12 0.48 -0.69 0.23 0.00 0.00 176.35 176.53 1jdi s VAL 168 N 0.60 5.04 -0.07 -1.59 1.01 -0.26 -0.02 120.40 125.10 1jdi s VAL 168 Ca -0.07 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.74 1jdi s VAL 168 Cb -0.15 -3.98 -0.15 0.00 0.00 0.00 0.00 36.38 32.10 1jdi s VAL 168 CO 0.03 -0.27 0.85 1.57 0.00 0.00 0.00 175.10 177.28 1jdi n HIS 169 N 5.70 0.62 -0.91 5.22 -0.00 -1.26 0.00 115.22 124.59 1jdi n HIS 169 Ca -0.06 0.79 0.00 0.00 0.46 0.00 0.00 57.72 58.91 1jdi n HIS 169 Cb 0.49 -1.55 0.00 0.00 -0.12 0.00 0.00 29.99 28.81 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 1.43 -4.82 0.00 0.26 7.64 0.17 -4.76 113.62 113.54 1jdi n SER 170 Ca 0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1jdi n SER 170 Cb 0.04 -3.20 0.00 0.00 -1.01 0.00 0.00 64.21 60.04 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 -2.03 0.00 -1.54 1.43 -0.00 0.10 -4.81 115.22 108.37 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 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.38 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 -1.39 3.86 1.57 0.00 -1.00 -4.82 105.19 107.64 1jdi n GLY 172 Ca 0.00 -0.99 -0.31 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 -1.26 3.90 -0.04 1.61 0.04 -1.22 -1.10 135.00 136.93 1jdi s PRO 173 Ca 0.00 0.72 0.01 0.00 0.04 0.00 0.00 61.00 61.76 1jdi s PRO 173 Cb 0.00 -2.29 0.02 0.00 0.04 0.00 0.00 34.50 32.27 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 0.62 0.25 0.56 0.08 -0.34 -3.09 117.98 113.66 1jdi s PHE 174 Ca 0.55 -0.15 0.05 0.00 0.12 0.00 0.00 56.93 57.50 1jdi s PHE 174 Cb -0.10 -0.60 -0.05 0.00 -0.57 0.00 0.00 43.02 41.70 1jdi s PHE 174 CO 0.28 -0.18 -0.03 0.00 -0.10 0.00 0.00 175.22 175.19 1jdi s ALA 175 N 1.00 2.00 0.29 5.36 0.00 0.58 -1.04 121.76 129.95 1jdi s ALA 175 Ca -0.10 -1.81 -0.13 0.00 0.00 0.00 0.00 51.96 49.92 1jdi s ALA 175 Cb -0.14 0.35 0.01 0.00 0.00 0.00 0.00 23.12 23.34 1jdi s ALA 175 CO -0.01 -0.17 0.57 1.67 0.00 0.00 0.00 175.76 177.83 1jdi s TRP 176 N -3.26 0.32 0.01 0.00 -2.14 -0.72 0.04 118.94 113.20 1jdi s TRP 176 Ca 0.28 -0.73 -0.01 0.00 2.66 0.00 0.00 56.10 58.30 1jdi s TRP 176 Cb 0.05 0.35 0.01 0.00 -3.10 0.00 0.00 33.47 30.78 1jdi s TRP 176 CO 0.10 -1.15 0.07 0.41 -2.66 0.00 0.00 176.95 173.71 1jdi n GLY 177 N -0.45 1.23 0.24 3.67 0.00 -0.40 -4.46 105.19 105.02 1jdi n GLY 177 Ca -0.03 -0.93 0.06 0.00 0.00 0.00 0.00 46.02 45.13 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 0.00 0.00 1.61 1.57 -1.86 0.19 116.57 118.08 1jdi h LYS 178 Ca -0.02 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 1jdi h LYS 178 Cb 0.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1jdi h LYS 178 CO 0.02 0.10 0.10 0.27 -0.57 0.00 0.00 179.45 179.38 1jdi n ASN 179 N -4.41 -1.47 0.05 0.86 0.23 -1.26 -3.52 115.26 105.74 1jdi n ASN 179 Ca -0.03 -2.25 -0.11 0.00 -0.53 0.00 0.00 54.58 51.66 1jdi n ASN 179 Cb 0.18 2.52 -0.04 0.00 -2.08 0.00 0.00 39.78 40.36 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 1.96 -0.31 -0.24 -2.53 0.00 -1.83 -0.48 119.26 115.84 1jdi h ALA 180 Ca -0.23 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.69 1jdi h ALA 180 Cb 0.90 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1jdi h ALA 180 CO 0.30 -0.73 0.14 1.49 0.00 0.00 0.00 179.25 180.44 1jdi h GLU 181 N -0.37 0.28 -0.75 0.00 4.81 -1.96 -1.62 114.58 114.96 1jdi h GLU 181 Ca 0.07 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1jdi h GLU 181 Cb 0.45 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 1jdi h GLU 181 CO -0.22 0.18 0.48 0.22 -0.73 0.00 0.00 179.01 178.94 1jdi h ASP 182 N 0.29 0.87 -0.45 1.04 3.58 -1.89 -1.41 116.42 118.44 1jdi h ASP 182 Ca 0.10 -0.03 -0.10 0.00 0.42 0.00 0.00 57.03 57.41 1jdi h ASP 182 Cb 0.00 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.81 1jdi h ASP 182 CO -0.05 0.65 -0.09 0.00 -2.88 0.00 0.00 179.24 176.87 1jdi h ALA 183 N 1.51 0.89 -0.57 -0.78 0.00 -0.66 -1.82 119.26 117.83 1jdi h ALA 183 Ca 0.27 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1jdi h ALA 183 Cb -0.09 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1jdi h ALA 183 CO -0.06 0.64 0.26 0.28 0.00 0.00 0.00 179.25 180.38 1jdi h VAL 184 N 0.82 1.21 -0.85 0.00 2.07 -0.49 -0.72 116.25 118.29 1jdi h VAL 184 Ca 0.14 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 1jdi h VAL 184 Cb 0.62 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1jdi h VAL 184 CO 0.04 0.25 0.44 0.45 0.02 0.00 0.00 177.57 178.77 1jdi h HIS 185 N 0.78 1.19 -0.23 1.57 -0.00 -0.99 -1.06 115.15 116.42 1jdi h HIS 185 Ca 0.20 -0.04 -0.09 0.00 -0.00 0.00 0.00 60.37 60.43 1jdi h HIS 185 Cb 0.14 -0.38 -0.01 0.00 -0.00 0.00 0.00 27.41 27.16 1jdi h HIS 185 CO 0.00 0.84 -0.24 -0.91 -0.00 0.00 0.00 177.93 177.63 1jdi h ASN 186 N 1.20 0.42 -0.55 2.45 2.35 -1.02 -1.93 115.58 118.50 1jdi h ASN 186 Ca 0.30 -0.14 -0.11 0.00 -0.55 0.00 0.00 56.30 55.80 1jdi h ASN 186 Cb 0.07 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 1jdi h ASN 186 CO -0.04 0.67 -0.09 0.00 -1.65 0.00 0.00 177.43 176.32 1jdi h ALA 187 N 1.37 0.79 -0.05 -0.83 0.00 -0.34 0.03 119.26 120.23 1jdi h ALA 187 Ca 0.06 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.45 1jdi h ALA 187 Cb 0.63 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1jdi h ALA 187 CO 0.05 0.67 -0.72 -0.84 0.00 0.00 0.00 179.25 178.40 1jdi h ILE 188 N 0.93 1.42 -0.34 0.00 -0.00 -1.00 -2.27 117.51 116.25 1jdi h ILE 188 Ca 0.15 -2.23 -0.18 0.00 -0.00 0.00 0.00 64.86 62.60 1jdi h ILE 188 Cb 0.65 2.18 -0.00 0.00 -0.00 0.00 0.00 36.82 39.65 1jdi h ILE 188 CO 0.04 0.66 -0.47 0.58 -0.00 0.00 0.00 178.15 178.96 1jdi h VAL 189 N 0.17 1.27 -0.35 0.16 2.07 -1.22 -1.71 116.25 116.64 1jdi h VAL 189 Ca -0.02 -1.65 0.06 0.00 0.82 0.00 0.00 66.70 65.90 1jdi h VAL 189 Cb 1.28 1.51 -0.05 0.00 -1.52 0.00 0.00 31.29 32.51 1jdi h VAL 189 CO 0.11 0.55 0.01 0.25 0.02 0.00 0.00 177.57 178.51 1jdi h LEU 190 N 0.72 -0.11 -0.97 2.57 5.85 -0.90 0.19 115.31 122.65 1jdi h LEU 190 Ca 0.04 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1jdi h LEU 190 Cb 1.08 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 1jdi h LEU 190 CO 0.11 -0.02 0.51 -0.08 -0.34 0.00 0.00 178.44 178.62 1jdi h GLU 191 N 0.11 1.22 0.01 1.25 4.57 -1.32 -0.97 114.58 119.46 1jdi h GLU 191 Ca 0.17 -0.13 -0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1jdi h GLU 191 Cb 0.23 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 28.57 1jdi h GLU 191 CO -0.27 0.88 -0.00 1.49 -1.18 0.00 0.00 179.01 179.92 1jdi h GLU 192 N 1.24 -0.01 0.00 1.92 4.57 -0.07 -0.94 114.58 121.29 1jdi h GLU 192 Ca 0.32 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.43 1jdi h GLU 192 Cb -0.01 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 1jdi h GLU 192 CO -0.05 0.05 -0.34 -0.39 -1.18 0.00 0.00 179.01 177.10 1jdi h VAL 193 N -0.07 0.82 -0.34 0.32 -1.51 -0.54 -2.01 116.25 112.92 1jdi h VAL 193 Ca -0.00 -1.42 -0.05 0.00 -1.23 0.00 0.00 66.70 64.00 1jdi h VAL 193 Cb 0.07 1.88 -0.01 0.00 -2.13 0.00 0.00 31.29 31.10 1jdi h VAL 193 CO 0.00 0.33 0.03 0.00 -1.23 0.00 0.00 177.57 176.71 1jdi h ALA 194 N 1.66 0.45 0.42 5.19 0.00 -0.85 0.15 119.26 126.28 1jdi h ALA 194 Ca -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1jdi h ALA 194 Cb 0.86 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1jdi h ALA 194 CO 0.04 0.18 -0.20 -0.92 0.00 0.00 0.00 179.25 178.35 1jdi h TYR 195 N 0.39 -0.52 -0.12 0.00 5.03 -0.86 -2.56 116.97 118.33 1jdi h TYR 195 Ca 0.10 -0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.36 1jdi h TYR 195 Cb 0.40 0.17 -0.01 0.00 1.55 0.00 0.00 36.73 38.84 1jdi h TYR 195 CO 0.03 -0.28 -0.09 0.52 -1.32 0.00 0.00 178.16 177.02 1jdi h MET 196 N -0.65 0.18 -0.59 1.82 2.86 -1.36 -2.47 114.93 114.72 1jdi h MET 196 Ca -0.06 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 1jdi h MET 196 Cb 0.48 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.08 1jdi h MET 196 CO 0.09 0.28 0.27 0.78 1.06 0.00 0.00 176.91 179.39 1jdi h GLY 197 N 0.59 0.90 0.86 8.32 0.00 -0.46 0.13 103.07 113.40 1jdi h GLY 197 Ca 0.04 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 1jdi h GLY 197 CO 0.01 0.41 0.06 -2.22 0.00 0.00 0.00 176.54 174.80 1jdi h ILE 198 N 0.83 1.18 0.00 2.60 2.04 -1.04 -2.76 117.51 120.37 1jdi h ILE 198 Ca 0.20 -0.57 -0.06 0.00 1.00 0.00 0.00 64.86 65.44 1jdi h ILE 198 Cb 0.11 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1jdi h ILE 198 CO -0.03 0.18 -0.61 -0.26 0.00 0.00 0.00 178.15 177.43 1jdi h PHE 199 N 0.12 0.00 0.00 1.37 0.04 -1.52 -2.72 116.94 114.23 1jdi h PHE 199 Ca 0.06 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.73 1jdi h PHE 199 Cb 0.22 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 1jdi h PHE 199 CO -0.00 0.23 -0.48 0.00 -0.60 0.00 0.00 178.31 177.46 1jdi h ARG 201 N 0.00 0.81 -0.65 0.00 2.43 -1.44 0.61 114.38 116.13 1jdi h ARG 201 Ca -0.00 -0.36 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 1jdi h ARG 201 Cb 1.20 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.70 1jdi h ARG 201 CO 0.06 0.99 0.42 0.37 -1.51 0.00 0.00 179.97 180.30 1jdi h GLN 202 N 0.61 0.86 -0.32 0.20 4.15 -1.22 0.14 115.11 119.53 1jdi h GLN 202 Ca 0.08 -0.06 -0.12 0.00 0.77 0.00 0.00 58.65 59.32 1jdi h GLN 202 Cb 0.75 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 1jdi h GLN 202 CO 0.06 0.58 -0.30 -0.07 -1.93 0.00 0.00 178.83 177.17 1jdi h LEU 203 N 0.88 0.70 -6.51 -2.39 3.38 -1.11 -3.38 115.31 106.88 1jdi h LEU 203 Ca 0.24 -0.27 -0.59 0.00 0.09 0.00 0.00 57.88 57.34 1jdi h LEU 203 Cb -0.08 -0.19 -0.39 0.00 0.09 0.00 0.00 40.66 40.09 1jdi h LEU 203 CO -0.05 0.96 -0.90 0.00 0.09 0.00 0.00 178.44 178.54 1jdi s ALA 204 N -4.45 1.71 0.62 1.53 0.00 0.19 -4.98 121.76 116.38 1jdi s ALA 204 Ca -0.08 -2.58 0.34 0.00 0.00 0.00 0.00 51.96 49.64 1jdi s ALA 204 Cb 0.13 -1.68 1.99 0.00 0.00 0.00 0.00 23.12 23.55 1jdi s ALA 204 CO 0.83 -2.01 2.25 -1.00 0.00 0.00 0.00 175.76 175.83 1jdi h PRO 205 N 5.79 0.00 -0.43 0.00 0.13 -0.93 -1.07 132.00 135.50 1jdi h PRO 205 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 1jdi h PRO 205 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1jdi h PRO 205 CO 0.41 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.22 1jdi n GLN 206 N -3.54 3.79 -1.74 0.86 3.00 -1.26 -5.00 117.38 113.49 1jdi n GLN 206 Ca -0.02 -2.93 -0.42 0.00 -0.01 0.00 0.00 57.00 53.61 1jdi n GLN 206 Cb 0.14 -1.99 -0.03 0.00 0.00 0.00 0.00 30.24 28.36 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 -2.60 4.39 0.50 1.08 0.20 -0.41 -4.98 118.68 116.87 1jdi s LEU 207 Ca 0.47 2.74 -0.15 0.00 0.69 0.00 0.00 54.13 57.89 1jdi s LEU 207 Cb 0.36 -3.57 -0.07 0.00 -0.43 0.00 0.00 46.19 42.48 1jdi s LEU 207 CO 0.14 -0.99 0.94 -2.16 -0.29 0.00 0.00 176.35 173.99 1jdi s PRO 208 N 2.57 3.87 0.70 0.98 0.04 -1.26 -5.01 135.00 136.89 1jdi s PRO 208 Ca 0.80 0.82 -0.16 0.00 0.04 0.00 0.00 61.00 62.49 1jdi s PRO 208 Cb -0.46 -2.19 -0.01 0.00 0.04 0.00 0.00 34.50 31.88 1jdi s PRO 208 CO 0.36 -0.25 0.88 -0.25 0.04 0.00 0.00 177.00 177.78 1jdi n ASP 209 N -1.64 0.20 -4.63 6.66 10.43 -1.26 -4.91 116.55 121.40 1jdi n ASP 209 Ca 0.06 0.68 -0.33 0.00 2.57 0.00 0.00 54.79 57.76 1jdi n ASP 209 Cb 0.54 -1.37 0.14 0.00 1.84 0.00 0.00 41.12 42.27 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 -1.50 -0.08 -1.67 -1.24 0.00 0.12 -4.88 117.12 107.88 1jdi n MET 210 Ca 0.13 0.05 -0.46 0.00 0.00 0.00 0.00 57.70 57.42 1jdi n MET 210 Cb 0.49 -2.29 -0.04 0.00 0.00 0.00 0.00 33.22 31.38 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 -3.17 2.11 -0.36 3.17 6.02 -1.26 -4.85 117.38 119.04 1jdi n GLN 211 Ca 0.12 0.76 0.04 0.00 -0.01 0.00 0.00 57.00 57.91 1jdi n GLN 211 Cb 0.51 -2.50 0.21 0.00 1.02 0.00 0.00 30.24 29.48 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 5.46 1.07 -0.98 -1.09 5.75 -1.99 -0.27 115.11 123.06 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 -0.24 -0.05 0.00 1.07 0.00 0.00 27.48 29.52 1jdi h GLN 212 CO 0.85 0.71 0.62 1.15 -2.65 0.00 0.00 178.83 179.51 1jdi h THR 213 N 1.10 1.26 -0.30 2.39 2.02 -1.99 0.81 112.91 118.21 1jdi h THR 213 Ca 0.45 -0.52 -0.15 0.00 0.77 0.00 0.00 66.41 66.95 1jdi h THR 213 Cb 0.27 -0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 66.53 1jdi h THR 213 CO -0.20 0.26 -0.40 0.25 0.37 0.00 0.00 175.52 175.81 1jdi h LEU 214 N 1.34 0.87 -0.41 2.58 5.85 -1.60 -0.24 115.31 123.69 1jdi h LEU 214 Ca 0.35 -0.50 0.01 0.00 0.84 0.00 0.00 57.88 58.58 1jdi h LEU 214 Cb -0.10 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.66 1jdi h LEU 214 CO -0.07 1.19 0.27 0.25 -0.34 0.00 0.00 178.44 179.74 1jdi h LEU 215 N 0.56 0.46 -0.05 2.25 6.46 -0.66 -2.03 115.31 122.30 1jdi h LEU 215 Ca 0.04 -0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1jdi h LEU 215 Cb 0.99 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 40.81 1jdi h LEU 215 CO 0.09 0.33 0.02 0.78 -0.62 0.00 0.00 178.44 179.05 1jdi h ASN 216 N 0.54 0.07 -0.50 1.25 2.35 -0.75 -0.75 115.58 117.79 1jdi h ASN 216 Ca 0.15 -0.15 0.10 0.00 -0.55 0.00 0.00 56.30 55.86 1jdi h ASN 216 Cb -0.05 -0.02 -0.10 0.00 0.05 0.00 0.00 38.32 38.20 1jdi h ASN 216 CO -0.04 0.20 -0.21 0.50 -1.65 0.00 0.00 177.43 176.23 1jdi h LYS 217 N -0.06 -0.09 -0.05 0.81 3.11 -0.78 -0.11 116.57 119.40 1jdi h LYS 217 Ca 0.02 0.01 -0.06 0.00 -2.81 0.00 0.00 60.65 57.80 1jdi h LYS 217 Cb 0.15 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.40 1jdi h LYS 217 CO -0.00 -0.06 -0.21 0.45 -2.81 0.00 0.00 179.45 176.82 1jdi h HIS 218 N -0.09 0.31 -0.12 1.91 3.86 -1.27 -2.51 115.15 117.24 1jdi h HIS 218 Ca 0.24 -0.13 -0.09 0.00 -1.16 0.00 0.00 60.37 59.23 1jdi h HIS 218 Cb 0.46 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.88 1jdi h HIS 218 CO -0.49 0.83 -0.26 -0.92 0.86 0.00 0.00 177.93 177.95 1jdi h TYR 219 N -0.30 0.51 0.00 2.45 5.03 -0.93 -3.23 116.97 120.50 1jdi h TYR 219 Ca -0.01 -0.19 -0.07 0.00 2.58 0.00 0.00 58.73 61.04 1jdi h TYR 219 Cb 0.85 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 39.03 1jdi h TYR 219 CO 0.13 0.88 -0.33 -0.07 -1.32 0.00 0.00 178.16 177.46 1jdi h LEU 220 N -0.01 0.00 0.16 2.82 4.07 -1.16 -3.06 115.31 118.14 1jdi h LEU 220 Ca 0.00 0.00 0.01 0.00 0.08 0.00 0.00 57.88 57.97 1jdi h LEU 220 Cb 0.86 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.57 1jdi h LEU 220 CO 0.06 0.33 -0.25 -0.09 -1.08 0.00 0.00 178.44 177.41 1jdi h ARG 221 N 0.00 -0.46 0.00 1.13 2.43 -1.46 -3.41 114.38 112.61 1jdi h ARG 221 Ca -0.00 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1jdi h ARG 221 Cb 0.58 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 1jdi h ARG 221 CO 0.04 -0.31 0.00 1.63 -1.51 0.00 0.00 179.97 179.83 1jdi n LYS 222 N -5.37 0.33 -0.20 0.20 5.02 -1.15 -5.12 118.16 111.88 1jdi n LYS 222 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1jdi n LYS 222 Cb 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.29 1jdi n LYS 222 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60