#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 -0.76 -0.34 3.17 4.32 -1.26 -5.02 117.00 117.11 1jdi n LEU 2 Ca 0.00 -3.53 0.05 0.00 -0.02 0.00 0.00 56.01 52.51 1jdi n LEU 2 Cb 0.00 0.16 0.12 0.00 -1.62 0.00 0.00 43.42 42.09 1jdi n LEU 2 CO 0.00 1.77 0.62 -0.62 -1.22 0.00 0.00 177.39 177.94 1jdi n GLU 3 N -0.45 -0.10 -0.10 3.23 4.71 -1.26 -0.74 120.64 125.94 1jdi n GLU 3 Ca 0.01 1.48 -0.10 0.00 -0.01 0.00 0.00 57.16 58.54 1jdi n GLU 3 Cb 0.84 -2.21 -0.02 0.00 -1.01 0.00 0.00 31.44 29.04 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 0.41 -0.62 1.62 -0.00 -1.99 -0.80 116.42 115.04 1jdi h ASP 4 Ca 0.44 -0.14 0.02 0.00 -0.00 0.00 0.00 57.03 57.35 1jdi h ASP 4 Cb 0.68 -0.11 -0.03 0.00 -0.00 0.00 0.00 39.33 39.87 1jdi h ASP 4 CO -0.98 0.44 0.40 0.25 -0.00 0.00 0.00 179.24 179.35 1jdi h LEU 5 N 0.36 0.68 -1.33 2.28 6.46 -1.36 -0.97 115.31 121.42 1jdi h LEU 5 Ca 0.10 -0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.87 1jdi h LEU 5 Cb 0.14 -0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 39.88 1jdi h LEU 5 CO -0.01 0.48 0.46 0.11 -0.62 0.00 0.00 178.44 178.86 1jdi h LYS 6 N 0.80 0.88 -0.08 1.25 1.57 -0.62 -0.21 116.57 120.16 1jdi h LYS 6 Ca 0.24 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1jdi h LYS 6 Cb -0.05 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.06 1jdi h LYS 6 CO -0.07 0.58 0.02 -0.09 -0.57 0.00 0.00 179.45 179.33 1jdi h ARG 7 N 0.91 0.13 0.03 3.15 1.12 -0.01 0.42 114.38 120.13 1jdi h ARG 7 Ca 0.27 -0.03 0.01 0.00 -1.11 0.00 0.00 59.98 59.11 1jdi h ARG 7 Cb -0.04 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 29.89 1jdi h ARG 7 CO -0.06 0.29 -0.05 1.96 -3.11 0.00 0.00 179.97 179.00 1jdi h GLN 8 N -0.06 -0.10 -0.63 0.20 4.20 -0.60 -0.12 115.11 118.00 1jdi h GLN 8 Ca 0.03 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 1jdi h GLN 8 Cb 0.22 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 1jdi h GLN 8 CO -0.00 -0.07 0.30 0.28 -0.67 0.00 0.00 178.83 178.68 1jdi h VAL 9 N -0.11 1.21 -0.14 -0.54 2.07 -1.01 0.66 116.25 118.39 1jdi h VAL 9 Ca 0.01 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 1jdi h VAL 9 Cb 0.12 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1jdi h VAL 9 CO -0.03 0.24 0.06 0.25 0.02 0.00 0.00 177.57 178.11 1jdi h LEU 10 N 0.89 0.19 -0.80 2.57 7.12 -0.41 -1.09 115.31 123.78 1jdi h LEU 10 Ca 0.22 -0.15 -0.06 0.00 0.13 0.00 0.00 57.88 58.02 1jdi h LEU 10 Cb 0.09 -0.05 -0.03 0.00 -0.53 0.00 0.00 40.66 40.14 1jdi h LEU 10 CO -0.03 0.29 0.22 -0.33 -0.13 0.00 0.00 178.44 178.46 1jdi h GLU 11 N 0.08 1.11 0.14 1.25 5.08 -0.58 -1.25 114.58 120.42 1jdi h GLU 11 Ca 0.05 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1jdi h GLU 11 Cb 0.16 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1jdi h GLU 11 CO -0.00 0.95 -0.10 0.00 -1.00 0.00 0.00 179.01 178.85 1jdi h ALA 12 N 1.17 -0.23 -0.84 3.43 0.00 -0.64 -0.55 119.26 121.60 1jdi h ALA 12 Ca 0.23 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1jdi h ALA 12 Cb 0.30 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 1jdi h ALA 12 CO -0.01 -0.64 0.53 -0.91 0.00 0.00 0.00 179.25 178.22 1jdi h ASN 13 N -0.25 0.86 0.48 0.00 2.35 -1.02 -0.86 115.58 117.14 1jdi h ASN 13 Ca -0.01 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1jdi h ASN 13 Cb 0.22 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 1jdi h ASN 13 CO -0.00 0.58 -0.10 -0.07 -1.65 0.00 0.00 177.43 176.18 1jdi h LEU 14 N 1.01 0.00 -0.78 1.61 4.07 -0.79 -2.36 115.31 118.06 1jdi h LEU 14 Ca 0.35 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 58.19 1jdi h LEU 14 Cb 0.07 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.80 1jdi h LEU 14 CO -0.14 0.10 -0.54 0.00 -1.08 0.00 0.00 178.44 176.78 1jdi h ALA 15 N 1.90 0.96 -0.07 1.53 0.00 0.38 -3.30 119.26 120.66 1jdi h ALA 15 Ca -0.00 -0.49 0.04 0.00 0.00 0.00 0.00 54.91 54.45 1jdi h ALA 15 Cb 0.37 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1jdi h ALA 15 CO 0.01 0.68 -0.29 -0.07 0.00 0.00 0.00 179.25 179.59 1jdi h LEU 16 N 0.00 -0.87 -1.08 0.00 4.07 -1.28 -1.30 115.31 114.85 1jdi h LEU 16 Ca -0.01 0.12 -0.10 0.00 0.08 0.00 0.00 57.88 57.98 1jdi h LEU 16 Cb 1.05 0.37 -0.01 0.00 1.08 0.00 0.00 40.66 43.14 1jdi h LEU 16 CO 0.07 -0.34 -0.46 1.55 -1.08 0.00 0.00 178.44 178.18 1jdi h PRO 17 N -0.39 0.00 -0.44 1.13 0.13 -1.74 -1.58 132.00 129.12 1jdi h PRO 17 Ca 0.08 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.17 1jdi h PRO 17 Cb 0.51 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.62 1jdi h PRO 17 CO -0.29 0.46 0.11 0.87 -0.23 0.00 0.00 178.00 178.91 1jdi h LYS 18 N 0.00 0.65 -0.66 0.86 1.57 -1.47 -1.84 116.57 115.69 1jdi h LYS 18 Ca -0.00 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1jdi h LYS 18 Cb 0.82 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 1jdi h LYS 18 CO 0.06 0.59 0.01 0.72 -0.57 0.00 0.00 179.45 180.26 1jdi n HIS 19 N -4.31 1.77 -4.01 -1.35 8.25 -0.55 -4.93 115.22 110.09 1jdi n HIS 19 Ca 0.03 -0.62 -0.33 0.00 -0.26 0.00 0.00 57.72 56.54 1jdi n HIS 19 Cb 0.20 -0.45 -0.01 0.00 1.12 0.00 0.00 29.99 30.85 1jdi n HIS 19 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1jdi n ASN 20 N 0.50 -3.85 -0.49 0.41 3.02 -0.69 -4.82 115.26 109.34 1jdi n ASN 20 Ca 0.24 -0.85 0.12 0.00 -0.03 0.00 0.00 54.58 54.06 1jdi n ASN 20 Cb 1.05 -3.13 0.23 0.00 -0.61 0.00 0.00 39.78 37.33 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 -4.38 1.78 -3.82 3.41 4.77 -0.61 -4.83 117.00 113.32 1jdi n LEU 21 Ca 0.06 -0.59 -0.08 0.00 -0.03 0.00 0.00 56.01 55.36 1jdi n LEU 21 Cb 0.51 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.53 1jdi n LEU 21 CO 0.78 0.32 0.37 0.54 -1.33 0.00 0.00 177.39 178.06 1jdi s VAL 22 N -2.32 0.01 0.14 4.08 0.11 -1.25 -2.81 120.40 118.36 1jdi s VAL 22 Ca 0.26 -0.94 -0.01 0.00 -2.93 0.00 0.00 61.98 58.36 1jdi s VAL 22 Cb 0.19 -1.86 -0.04 0.00 -1.53 0.00 0.00 36.38 33.15 1jdi s VAL 22 CO 0.47 -0.03 0.05 -0.89 -3.33 0.00 0.00 175.10 171.37 1jdi s THR 23 N -3.91 0.19 0.00 5.04 2.01 -1.26 -4.70 115.64 113.01 1jdi s THR 23 Ca 0.12 -1.92 0.00 0.00 0.31 0.00 0.00 61.69 60.20 1jdi s THR 23 Cb -0.03 -2.06 0.00 0.00 0.01 0.00 0.00 72.50 70.41 1jdi s THR 23 CO 0.03 -0.46 0.00 0.18 -0.69 0.00 0.00 174.62 173.68 1jdi n LEU 24 N -0.12 0.00 -0.95 4.42 4.77 -1.26 -1.78 117.00 122.08 1jdi n LEU 24 Ca -0.06 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.00 1jdi n LEU 24 Cb 0.64 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.97 1jdi n LEU 24 CO 0.31 0.00 0.70 0.35 -1.33 0.00 0.00 177.39 177.42 1jdi n THR 25 N 0.00 1.70 -1.01 -5.08 -2.24 -1.26 -4.79 114.28 101.60 1jdi n THR 25 Ca 0.00 -1.39 -0.30 0.00 -2.27 0.00 0.00 64.05 60.10 1jdi n THR 25 Cb 0.00 0.12 0.16 0.00 -2.10 0.00 0.00 70.33 68.51 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 -1.91 2.03 0.00 4.78 0.51 -0.74 -4.89 118.94 118.72 1jdi s TRP 26 Ca 0.37 1.32 0.00 0.00 -2.12 0.00 0.00 56.10 55.67 1jdi s TRP 26 Cb 0.25 -3.18 0.00 0.00 -0.81 0.00 0.00 33.47 29.74 1jdi s TRP 26 CO 0.15 -2.74 0.00 0.41 -0.51 0.00 0.00 176.95 174.26 1jdi n GLY 27 N -0.57 -1.34 3.64 0.98 0.00 -1.26 -4.70 105.19 101.95 1jdi n GLY 27 Ca 0.07 -1.54 -0.06 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.80 -0.23 0.11 1.61 2.20 0.34 -4.98 114.94 111.19 1jdi s ASN 28 Ca 0.00 0.42 0.09 0.00 -0.94 0.00 0.00 52.86 52.43 1jdi s ASN 28 Cb 0.00 0.42 -0.04 0.00 -2.00 0.00 0.00 41.25 39.64 1jdi s ASN 28 CO 0.00 -0.08 -0.23 -0.69 -2.94 0.00 0.00 177.10 173.16 1jdi s VAL 29 N 0.02 1.87 0.04 3.54 1.01 -1.26 -1.02 120.40 124.60 1jdi s VAL 29 Ca 0.05 -1.58 -0.09 0.00 0.00 0.00 0.00 61.98 60.37 1jdi s VAL 29 Cb -0.05 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.66 1jdi s VAL 29 CO -0.11 0.00 0.17 -0.94 0.00 0.00 0.00 175.10 174.23 1jdi s SER 30 N -1.90 0.06 0.03 3.32 1.04 -0.30 -2.32 113.70 113.64 1jdi s SER 30 Ca 0.09 -0.40 0.02 0.00 0.48 0.00 0.00 55.95 56.14 1jdi s SER 30 Cb -0.10 0.28 -0.02 0.00 0.10 0.00 0.00 66.02 66.28 1jdi s SER 30 CO 0.05 -0.55 -0.08 0.00 0.98 0.00 0.00 173.24 173.64 1jdi s ALA 31 N -2.56 0.61 0.31 5.32 0.00 -0.45 -0.67 121.76 124.32 1jdi s ALA 31 Ca -0.05 -0.63 0.07 0.00 0.00 0.00 0.00 51.96 51.35 1jdi s ALA 31 Cb -0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 1jdi s ALA 31 CO -0.04 0.04 0.26 0.54 0.00 0.00 0.00 175.76 176.56 1jdi s VAL 32 N -0.98 3.80 -0.38 0.00 0.11 0.02 -0.75 120.40 122.22 1jdi s VAL 32 Ca -0.05 -1.39 0.01 0.00 -2.93 0.00 0.00 61.98 57.61 1jdi s VAL 32 Cb -0.08 -3.24 0.15 0.00 -1.53 0.00 0.00 36.38 31.68 1jdi s VAL 32 CO 0.00 -0.23 0.24 -0.62 -3.33 0.00 0.00 175.10 171.17 1jdi s ASP 33 N -3.94 2.76 0.16 3.54 3.68 0.10 -4.96 116.67 118.01 1jdi s ASP 33 Ca 0.38 -2.44 -0.17 0.00 2.13 0.00 0.00 52.55 52.46 1jdi s ASP 33 Cb -0.06 -0.50 0.10 0.00 -1.45 0.00 0.00 42.92 41.01 1jdi s ASP 33 CO 0.26 -0.27 1.68 0.03 0.13 0.00 0.00 175.17 177.00 1jdi h ARG 34 N 6.68 0.04 -0.71 4.34 -0.00 -1.97 -1.37 114.38 121.39 1jdi h ARG 34 Ca 0.10 -0.00 0.13 0.00 -0.50 0.00 0.00 59.98 59.70 1jdi h ARG 34 Cb 0.95 -0.01 -0.09 0.00 0.00 0.00 0.00 29.97 30.82 1jdi h ARG 34 CO 0.32 0.03 0.27 0.93 0.00 0.00 0.00 179.97 181.51 1jdi h GLU 35 N 0.05 0.40 -0.00 0.04 5.08 -1.95 0.15 114.58 118.35 1jdi h GLU 35 Ca 0.19 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1jdi h GLU 35 Cb 0.28 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1jdi h GLU 35 CO -0.36 0.27 -0.03 -2.13 -1.00 0.00 0.00 179.01 175.75 1jdi n ARG 36 N -5.02 0.55 -3.65 2.33 0.00 -0.94 -4.92 116.66 105.00 1jdi n ARG 36 Ca 0.13 -0.06 -0.22 0.00 -0.00 0.00 0.00 57.85 57.69 1jdi n ARG 36 Cb 0.38 -1.50 0.05 0.00 0.00 0.00 0.00 32.46 31.39 1jdi n ARG 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1jdi n GLY 37 N 1.26 -0.38 3.34 5.14 0.00 0.53 -4.98 105.19 110.10 1jdi n GLY 37 Ca 0.15 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.22 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 -3.47 0.06 0.03 1.61 0.11 -1.05 -2.56 120.40 115.12 1jdi s VAL 38 Ca 0.21 -0.56 0.01 0.00 -2.93 0.00 0.00 61.98 58.70 1jdi s VAL 38 Cb -0.10 -1.20 -0.02 0.00 -1.53 0.00 0.00 36.38 33.53 1jdi s VAL 38 CO 0.78 -0.28 -0.04 0.72 -3.33 0.00 0.00 175.10 172.95 1jdi s PHE 39 N -3.81 0.36 -0.16 1.54 -0.71 -0.22 -0.72 117.98 114.27 1jdi s PHE 39 Ca 0.04 -0.52 -0.06 0.00 -1.04 0.00 0.00 56.93 55.35 1jdi s PHE 39 Cb 0.01 -0.24 -0.04 0.00 -1.21 0.00 0.00 43.02 41.54 1jdi s PHE 39 CO -0.11 -0.16 0.04 0.08 -1.34 0.00 0.00 175.22 173.72 1jdi s VAL 40 N -1.42 4.57 0.07 -2.49 1.01 0.07 -0.53 120.40 121.67 1jdi s VAL 40 Ca -0.14 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.73 1jdi s VAL 40 Cb -0.10 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 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 0.10 0.51 0.52 2.22 2.07 -0.28 -1.34 121.20 125.01 1jdi s ILE 41 Ca 0.04 -1.58 -0.21 0.00 -1.41 0.00 0.00 60.65 57.48 1jdi s ILE 41 Cb -0.13 -1.22 -0.07 0.00 0.13 0.00 0.00 42.46 41.17 1jdi s ILE 41 CO 0.01 -0.73 1.11 1.17 -1.91 0.00 0.00 174.94 174.60 1jdi n LYS 42 N 0.56 1.33 -2.19 3.50 4.81 -0.98 -1.76 118.16 123.42 1jdi n LYS 42 Ca -0.17 0.49 -0.30 0.00 -0.87 0.00 0.00 58.31 57.47 1jdi n LYS 42 Cb 0.59 -2.27 0.00 0.00 0.02 0.00 0.00 35.03 33.37 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 -2.55 3.58 -0.05 1.64 0.04 -1.26 -1.54 135.00 134.86 1jdi s PRO 43 Ca 0.70 0.53 -0.14 0.00 0.04 0.00 0.00 61.00 62.13 1jdi s PRO 43 Cb -0.46 -2.20 -0.05 0.00 0.04 0.00 0.00 34.50 31.83 1jdi s PRO 43 CO 0.51 -0.42 0.37 0.45 0.04 0.00 0.00 177.00 177.95 1jdi s SER 44 N -4.12 6.69 -0.06 6.66 0.15 0.14 -4.41 113.70 118.75 1jdi s SER 44 Ca 0.52 0.82 -0.00 0.00 0.70 0.00 0.00 55.95 57.99 1jdi s SER 44 Cb -0.11 -2.22 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 1jdi s SER 44 CO 0.50 0.26 0.02 0.61 1.20 0.00 0.00 173.24 175.82 1jdi n GLY 45 N 2.27 0.53 2.81 9.45 0.00 -1.26 -4.59 105.19 114.39 1jdi n GLY 45 Ca -0.13 -0.78 -0.22 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.37 0.45 0.54 1.61 1.01 -1.26 -5.13 120.40 115.25 1jdi s VAL 46 Ca 0.01 0.04 -0.21 0.00 0.00 0.00 0.00 61.98 61.82 1jdi s VAL 46 Cb -0.00 -0.56 -0.05 0.00 0.00 0.00 0.00 36.38 35.76 1jdi s VAL 46 CO 0.01 0.26 1.25 -1.81 0.00 0.00 0.00 175.10 174.81 1jdi s ASP 47 N 1.67 5.45 0.46 3.32 1.01 -1.26 -4.86 116.67 122.47 1jdi s ASP 47 Ca 0.01 2.51 0.12 0.00 0.71 0.00 0.00 52.55 55.89 1jdi s ASP 47 Cb -0.13 -2.61 1.06 0.00 1.01 0.00 0.00 42.92 42.25 1jdi s ASP 47 CO -0.04 -1.42 2.09 1.88 0.21 0.00 0.00 175.17 177.88 1jdi h TYR 48 N 1.38 0.29 0.00 4.23 0.05 -1.97 -2.16 116.97 118.79 1jdi h TYR 48 Ca -0.50 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.28 1jdi h TYR 48 Cb 1.29 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 38.93 1jdi h TYR 48 CO 0.48 0.17 0.00 -1.13 -1.05 0.00 0.00 178.16 176.63 1jdi n SER 49 N -4.50 0.00 0.00 3.88 3.41 -1.26 -3.37 113.62 111.78 1jdi n SER 49 Ca 0.02 -0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.33 1jdi n SER 49 Cb 0.12 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 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 -1.20 0.00 -1.66 -1.33 2.08 -0.88 -5.06 119.36 111.31 1jdi n ILE 50 Ca 0.14 -0.13 -0.46 0.00 0.56 0.00 0.00 62.75 62.86 1jdi n ILE 50 Cb 0.16 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 -1.24 2.01 -4.32 0.38 1.56 -0.87 -5.02 117.12 109.62 1jdi n MET 51 Ca 0.00 0.72 -0.17 0.00 -0.27 0.00 0.00 57.70 57.98 1jdi n MET 51 Cb 0.00 -2.42 -0.10 0.00 2.15 0.00 0.00 33.22 32.84 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 0.42 1.37 0.55 1.12 -4.23 -1.26 -5.03 115.64 108.58 1jdi s THR 52 Ca 0.74 -2.11 0.28 0.00 -1.18 0.00 0.00 61.69 59.42 1jdi s THR 52 Cb -0.69 -2.11 0.41 0.00 1.34 0.00 0.00 72.50 71.45 1jdi s THR 52 CO 0.44 -0.54 1.96 0.00 -0.54 0.00 0.00 174.62 175.94 1jdi h ALA 53 N 2.57 2.42 0.00 3.99 0.00 -1.95 0.53 119.26 126.82 1jdi h ALA 53 Ca -0.38 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 1jdi h ALA 53 Cb 1.21 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1jdi h ALA 53 CO 0.64 -0.73 -0.23 -0.44 0.00 0.00 0.00 179.25 178.49 1jdi h ASP 54 N 0.00 0.00 1.03 0.00 5.19 -1.96 -2.91 116.42 117.77 1jdi h ASP 54 Ca 0.26 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.65 1jdi h ASP 54 Cb 1.15 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.66 1jdi h ASP 54 CO -0.00 0.23 -0.10 0.44 -3.12 0.00 0.00 179.24 176.69 1jdi h ASP 55 N 0.00 0.00 -4.06 6.45 3.45 -1.29 -3.43 116.42 117.55 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 0.68 0.00 0.13 0.00 -0.56 0.00 0.00 39.33 39.58 1jdi h ASP 55 CO 0.03 0.10 0.57 -0.04 -1.57 0.00 0.00 179.24 178.34 1jdi s MET 56 N -3.64 3.08 -0.05 3.56 -1.94 -1.10 -4.26 119.30 114.95 1jdi s MET 56 Ca 0.01 2.14 0.03 0.00 -1.71 0.00 0.00 55.69 56.16 1jdi s MET 56 Cb 0.09 -2.18 -0.03 0.00 2.01 0.00 0.00 34.83 34.73 1jdi s MET 56 CO 0.59 -1.20 -0.14 0.08 -0.01 0.00 0.00 175.02 174.34 1jdi s VAL 57 N -1.36 3.10 -0.23 -6.03 1.01 -0.72 -4.71 120.40 111.45 1jdi s VAL 57 Ca 0.73 -0.71 -0.10 0.00 0.00 0.00 0.00 61.98 61.90 1jdi s VAL 57 Cb -0.38 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 1jdi s VAL 57 CO 0.44 0.59 0.15 -0.69 0.00 0.00 0.00 175.10 175.59 1jdi s VAL 58 N -0.72 5.29 -0.01 2.92 1.01 0.19 -1.13 120.40 127.95 1jdi s VAL 58 Ca 0.11 0.15 0.06 0.00 0.00 0.00 0.00 61.98 62.30 1jdi s VAL 58 Cb -0.11 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 1jdi s VAL 58 CO 0.01 0.36 -0.19 -0.69 0.00 0.00 0.00 175.10 174.58 1jdi s VAL 59 N 1.01 1.49 -0.00 2.92 1.01 0.31 -0.16 120.40 126.99 1jdi s VAL 59 Ca 0.07 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 60.91 1jdi s VAL 59 Cb -0.13 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 1jdi s VAL 59 CO 0.04 0.39 1.34 -0.55 0.00 0.00 0.00 175.10 176.32 1jdi s SER 60 N -0.52 6.91 0.17 3.32 0.15 0.42 -1.05 113.70 123.11 1jdi s SER 60 Ca 0.07 2.05 -0.12 0.00 0.70 0.00 0.00 55.95 58.65 1jdi s SER 60 Cb -0.07 -2.56 0.08 0.00 -1.71 0.00 0.00 66.02 61.75 1jdi s SER 60 CO -0.00 -0.66 1.76 0.40 1.20 0.00 0.00 173.24 175.93 1jdi h ILE 61 N 4.86 1.21 -0.13 6.45 2.04 -1.83 0.54 117.51 130.64 1jdi h ILE 61 Ca -0.38 -0.59 -0.07 0.00 1.00 0.00 0.00 64.86 64.83 1jdi h ILE 61 Cb 1.18 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 37.76 1jdi h ILE 61 CO 0.89 0.24 -0.18 -0.08 0.00 0.00 0.00 178.15 179.02 1jdi h GLU 62 N 0.81 0.36 0.00 2.37 4.81 -1.92 -3.37 114.58 117.64 1jdi h GLU 62 Ca 0.20 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1jdi h GLU 62 Cb 0.11 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1jdi h GLU 62 CO -0.03 0.78 -1.07 0.25 -0.73 0.00 0.00 179.01 178.21 1jdi n THR 63 N -4.53 0.00 -1.14 0.32 -2.24 -1.22 -4.97 114.28 100.50 1jdi n THR 63 Ca -0.06 -0.19 -0.05 0.00 -2.27 0.00 0.00 64.05 61.48 1jdi n THR 63 Cb 0.39 0.75 -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 0.63 3.84 3.38 0.00 0.19 -4.97 105.19 109.69 1jdi n GLY 64 Ca 0.01 -0.16 -0.35 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 -1.92 3.99 -0.18 1.61 2.56 -1.25 -4.73 118.70 118.78 1jdi s GLU 65 Ca 0.00 0.52 -0.29 0.00 0.00 0.00 0.00 54.97 55.20 1jdi s GLU 65 Cb 0.00 -2.85 -0.02 0.00 2.00 0.00 0.00 34.13 33.27 1jdi s GLU 65 CO 0.00 0.42 1.34 0.54 -0.56 0.00 0.00 175.26 177.00 1jdi s VAL 66 N -1.56 4.13 0.02 3.70 0.11 -1.26 -0.44 120.40 125.11 1jdi s VAL 66 Ca 0.41 1.35 0.04 0.00 -2.93 0.00 0.00 61.98 60.85 1jdi s VAL 66 Cb -0.14 -3.94 -0.24 0.00 -1.53 0.00 0.00 36.38 30.52 1jdi s VAL 66 CO 0.20 -0.20 0.93 0.58 -3.33 0.00 0.00 175.10 173.27 1jdi h VAL 67 N 5.63 1.23 -1.86 2.04 2.07 -0.89 -3.48 116.25 121.00 1jdi h VAL 67 Ca -0.28 -2.95 -0.01 0.00 0.82 0.00 0.00 66.70 64.27 1jdi h VAL 67 Cb 1.11 2.69 -0.22 0.00 -1.52 0.00 0.00 31.29 33.36 1jdi h VAL 67 CO 0.98 0.78 0.26 -0.70 0.02 0.00 0.00 177.57 178.91 1jdi s GLU 68 N -2.64 0.79 0.00 1.57 2.12 -1.14 -5.00 118.70 114.40 1jdi s GLU 68 Ca -0.05 0.63 0.00 0.00 0.36 0.00 0.00 54.97 55.91 1jdi s GLU 68 Cb 0.08 0.38 0.00 0.00 0.26 0.00 0.00 34.13 34.85 1jdi s GLU 68 CO 0.83 -0.16 0.00 0.41 -0.54 0.00 0.00 175.26 175.81 1jdi n GLY 69 N 1.93 4.61 0.15 -1.50 0.00 -1.26 -0.64 105.19 108.48 1jdi n GLY 69 Ca -0.14 -1.00 0.08 0.00 0.00 0.00 0.00 46.02 44.95 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 0.74 -1.83 4.61 0.00 -1.87 -3.47 119.26 117.44 1jdi h ALA 70 Ca 0.00 -0.24 -0.44 0.00 0.00 0.00 0.00 54.91 54.23 1jdi h ALA 70 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1jdi h ALA 70 CO 0.00 0.30 -0.35 0.15 0.00 0.00 0.00 179.25 179.34 1jdi s LYS 71 N -3.14 3.13 0.17 0.00 1.02 -1.26 -5.09 119.74 114.57 1jdi s LYS 71 Ca 0.03 -1.00 -0.30 0.00 0.02 0.00 0.00 55.97 54.72 1jdi s LYS 71 Cb 0.07 -2.82 -0.07 0.00 -0.52 0.00 0.00 37.83 34.50 1jdi s LYS 71 CO 0.74 0.09 0.95 0.21 -0.92 0.00 0.00 175.35 176.43 1jdi s LYS 72 N -4.15 4.77 0.83 1.68 2.20 -1.26 -4.90 119.74 118.91 1jdi s LYS 72 Ca 0.44 1.47 -0.11 0.00 -0.36 0.00 0.00 55.97 57.41 1jdi s LYS 72 Cb -0.09 -3.33 0.09 0.00 -1.51 0.00 0.00 37.83 32.98 1jdi s LYS 72 CO 0.31 0.34 1.09 -1.25 -0.36 0.00 0.00 175.35 175.48 1jdi s PRO 73 N -0.51 1.76 0.37 4.03 0.04 -1.26 0.26 135.00 139.70 1jdi s PRO 73 Ca 0.44 0.92 -0.27 0.00 0.04 0.00 0.00 61.00 62.13 1jdi s PRO 73 Cb -0.25 -1.86 -0.11 0.00 0.04 0.00 0.00 34.50 32.32 1jdi s PRO 73 CO 0.31 -1.92 1.21 0.45 0.04 0.00 0.00 177.00 177.09 1jdi n SER 74 N -3.68 2.30 0.00 6.66 2.88 -0.59 -3.91 113.62 117.29 1jdi n SER 74 Ca 0.08 1.15 0.01 0.00 -1.33 0.00 0.00 58.87 58.78 1jdi n SER 74 Cb 0.55 -1.45 0.06 0.00 -0.75 0.00 0.00 64.21 62.62 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 0.59 0.00 -0.76 -3.46 3.41 -1.26 -0.70 113.62 111.44 1jdi n SER 75 Ca 0.07 0.49 0.12 0.00 -0.26 0.00 0.00 58.87 59.28 1jdi n SER 75 Cb 0.37 -0.49 0.31 0.00 -0.26 0.00 0.00 64.21 64.15 1jdi n SER 75 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1jdi n ASP 76 N -1.49 2.34 -0.26 4.04 10.43 -1.26 -4.53 116.55 125.82 1jdi n ASP 76 Ca 0.01 -1.79 0.06 0.00 2.57 0.00 0.00 54.79 55.64 1jdi n ASP 76 Cb 0.03 -0.08 0.18 0.00 1.84 0.00 0.00 41.12 43.09 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 3.37 0.41 -1.00 -3.53 2.02 -1.26 -1.13 112.91 111.79 1jdi h THR 77 Ca 0.00 -0.06 0.09 0.00 0.77 0.00 0.00 66.41 67.21 1jdi h THR 77 Cb 0.73 0.22 -0.08 0.00 -1.74 0.00 0.00 68.15 67.28 1jdi h THR 77 CO 0.00 0.03 0.64 -0.65 0.37 0.00 0.00 175.52 175.91 1jdi h PRO 78 N 0.18 1.04 -0.33 6.66 0.11 -1.84 0.83 132.00 138.65 1jdi h PRO 78 Ca 0.43 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.45 1jdi h PRO 78 Cb 0.76 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 1jdi h PRO 78 CO -0.60 0.69 0.10 1.15 -0.21 0.00 0.00 178.00 179.13 1jdi h THR 79 N 1.07 1.21 0.04 -1.15 2.02 -1.23 -0.50 112.91 114.38 1jdi h THR 79 Ca 0.46 -0.69 0.01 0.00 0.77 0.00 0.00 66.41 66.97 1jdi h THR 79 Cb 0.34 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 1jdi h THR 79 CO -0.22 0.23 -0.09 0.45 0.37 0.00 0.00 175.52 176.27 1jdi h HIS 80 N 0.39 -0.23 -0.12 3.16 3.86 -1.02 -1.65 115.15 119.54 1jdi h HIS 80 Ca 0.11 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.36 1jdi h HIS 80 Cb 0.26 0.10 -0.05 0.00 1.06 0.00 0.00 27.41 28.78 1jdi h HIS 80 CO 0.01 -0.14 -0.16 -0.09 0.86 0.00 0.00 177.93 178.41 1jdi h ARG 81 N -0.18 -0.19 -0.54 2.45 2.43 -0.71 -0.88 114.38 116.76 1jdi h ARG 81 Ca 0.02 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.28 1jdi h ARG 81 Cb 0.20 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.73 1jdi h ARG 81 CO -0.07 -0.13 0.20 1.25 -1.51 0.00 0.00 179.97 179.72 1jdi h LEU 82 N -0.20 0.21 -0.40 3.80 7.12 -0.91 -1.70 115.31 123.23 1jdi h LEU 82 Ca 0.09 0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.17 1jdi h LEU 82 Cb 0.33 0.04 -0.02 0.00 -0.53 0.00 0.00 40.66 40.49 1jdi h LEU 82 CO -0.24 0.14 0.26 -0.07 -0.13 0.00 0.00 178.44 178.41 1jdi h LEU 83 N 0.39 0.46 -1.10 2.25 3.38 -0.68 0.10 115.31 120.11 1jdi h LEU 83 Ca 0.26 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.23 1jdi h LEU 83 Cb 0.29 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 1jdi h LEU 83 CO -0.26 0.34 0.61 1.88 0.09 0.00 0.00 178.44 181.10 1jdi h TYR 84 N 0.54 1.15 -0.31 1.13 0.05 -0.62 0.20 116.97 119.12 1jdi h TYR 84 Ca 0.15 0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.90 1jdi h TYR 84 Cb -0.06 -0.39 -0.01 0.00 1.01 0.00 0.00 36.73 37.28 1jdi h TYR 84 CO -0.05 0.72 -0.04 1.96 -1.05 0.00 0.00 178.16 179.70 1jdi h GLN 85 N 1.24 0.57 -0.10 4.88 4.20 -0.83 -3.30 115.11 121.77 1jdi h GLN 85 Ca 0.34 -0.20 -0.21 0.00 0.06 0.00 0.00 58.65 58.64 1jdi h GLN 85 Cb -0.13 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.61 1jdi h GLN 85 CO -0.08 0.74 -0.78 0.00 -0.67 0.00 0.00 178.83 178.04 1jdi h ALA 86 N 0.81 0.45 -3.23 3.87 0.00 -0.55 -3.40 119.26 117.20 1jdi h ALA 86 Ca 0.08 -0.62 -0.69 0.00 0.00 0.00 0.00 54.91 53.69 1jdi h ALA 86 Cb 0.51 -0.03 -0.36 0.00 0.00 0.00 0.00 17.79 17.91 1jdi h ALA 86 CO 0.02 0.73 -0.55 -0.06 0.00 0.00 0.00 179.25 179.40 1jdi s PHE 87 N -3.63 3.57 0.32 0.00 0.08 0.66 -4.97 117.98 114.01 1jdi s PHE 87 Ca -0.08 -2.58 0.02 0.00 0.12 0.00 0.00 56.93 54.41 1jdi s PHE 87 Cb 0.09 -3.16 0.58 0.00 -0.57 0.00 0.00 43.02 39.96 1jdi s PHE 87 CO 0.87 -0.94 1.92 -1.35 -0.10 0.00 0.00 175.22 175.62 1jdi h PRO 88 N 7.76 0.93 -0.02 0.24 0.11 -1.80 -3.07 132.00 136.15 1jdi h PRO 88 Ca -0.10 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.90 1jdi h PRO 88 Cb 1.02 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 1jdi h PRO 88 CO 0.68 0.62 -0.26 0.66 -0.21 0.00 0.00 178.00 179.48 1jdi h SER 89 N 0.96 0.04 -3.95 -2.05 4.64 -1.93 -3.45 113.55 107.81 1jdi h SER 89 Ca 0.37 -0.01 -0.51 0.00 -0.47 0.00 0.00 61.79 61.18 1jdi h SER 89 Cb 0.22 -0.01 0.05 0.00 -0.31 0.00 0.00 62.40 62.35 1jdi h SER 89 CO -0.14 0.30 0.50 0.27 -0.87 0.00 0.00 176.83 176.89 1jdi s ILE 90 N -4.45 3.18 0.00 0.95 -4.36 -1.16 -4.79 121.20 110.57 1jdi s ILE 90 Ca -0.04 0.97 0.00 0.00 -0.26 0.00 0.00 60.65 61.32 1jdi s ILE 90 Cb 0.15 -3.53 0.00 0.00 1.25 0.00 0.00 42.46 40.33 1jdi s ILE 90 CO 0.72 0.07 0.00 0.61 0.24 0.00 0.00 174.94 176.57 1jdi n GLY 91 N 0.58 0.87 3.18 6.27 0.00 0.80 -4.92 105.19 111.97 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 -0.91 -0.13 -0.01 -0.02 0.00 -0.66 -0.80 107.32 104.79 1jdi s GLY 92 Ca 0.00 0.38 0.03 0.00 0.00 0.00 0.00 44.72 45.13 1jdi s GLY 92 CO 0.00 0.23 -0.09 -0.42 0.00 0.00 0.00 173.10 172.82 1jdi s ILE 93 N -0.80 0.70 -0.06 0.90 1.01 0.15 -1.51 121.20 121.60 1jdi s ILE 93 Ca -0.09 -0.35 0.02 0.00 0.00 0.00 0.00 60.65 60.23 1jdi s ILE 93 Cb -0.05 -0.61 0.01 0.00 0.01 0.00 0.00 42.46 41.83 1jdi s ILE 93 CO 0.02 0.21 -0.12 -0.69 0.00 0.00 0.00 174.94 174.36 1jdi s VAL 94 N -0.02 1.13 -0.08 2.92 1.01 0.12 -1.15 120.40 124.33 1jdi s VAL 94 Ca 0.01 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.52 1jdi s VAL 94 Cb -0.06 -1.02 0.01 0.00 0.00 0.00 0.00 36.38 35.31 1jdi s VAL 94 CO -0.00 0.35 -0.15 -2.28 0.00 0.00 0.00 175.10 173.02 1jdi s HIS 95 N 0.56 1.73 0.28 5.22 5.04 -0.19 -0.27 115.29 127.66 1jdi s HIS 95 Ca -0.12 -0.68 -0.04 0.00 -1.54 0.00 0.00 55.06 52.68 1jdi s HIS 95 Cb -0.15 -1.24 -0.01 0.00 0.04 0.00 0.00 32.58 31.23 1jdi s HIS 95 CO 0.03 -0.33 0.37 0.95 -2.34 0.00 0.00 174.74 173.43 1jdi s THR 96 N 0.64 0.00 -0.30 0.89 -4.23 -1.20 -0.50 115.64 110.93 1jdi s THR 96 Ca -0.15 -1.68 0.08 0.00 -1.18 0.00 0.00 61.69 58.76 1jdi s THR 96 Cb -0.16 -2.48 0.46 0.00 1.34 0.00 0.00 72.50 71.66 1jdi s THR 96 CO 0.04 0.00 1.18 1.41 -0.54 0.00 0.00 174.62 176.71 1jdi n HIS 97 N -0.45 2.66 -1.67 3.99 8.25 -1.26 -3.50 115.22 123.24 1jdi n HIS 97 Ca 0.01 -2.28 -0.52 0.00 -0.26 0.00 0.00 57.72 54.68 1jdi n HIS 97 Cb 0.63 -0.31 -0.06 0.00 1.12 0.00 0.00 29.99 31.37 1jdi n HIS 97 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1jdi n SER 98 N -0.68 2.73 -0.09 0.41 3.41 -1.12 -4.72 113.62 113.56 1jdi n SER 98 Ca 0.40 1.05 -0.02 0.00 -0.26 0.00 0.00 58.87 60.04 1jdi n SER 98 Cb 0.93 -1.27 -0.02 0.00 -0.26 0.00 0.00 64.21 63.59 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 4.97 -0.09 0.06 4.33 1.74 -1.26 -0.89 116.66 125.52 1jdi n ARG 99 Ca 0.22 0.43 -0.12 0.00 -0.77 0.00 0.00 57.85 57.61 1jdi n ARG 99 Cb 0.22 -0.64 -0.02 0.00 -1.02 0.00 0.00 32.46 31.01 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 0.58 -0.57 -1.55 3.86 -1.88 -0.25 115.15 115.34 1jdi h HIS 100 Ca 0.03 -0.29 -0.09 0.00 -1.16 0.00 0.00 60.37 58.85 1jdi h HIS 100 Cb 0.08 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 1jdi h HIS 100 CO -0.33 1.09 -0.01 0.00 0.86 0.00 0.00 177.93 179.55 1jdi h ALA 101 N 0.82 0.77 -0.17 2.45 0.00 -1.66 -2.41 119.26 119.06 1jdi h ALA 101 Ca -0.06 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 1jdi h ALA 101 Cb 1.48 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1jdi h ALA 101 CO 0.15 0.61 -0.17 1.15 0.00 0.00 0.00 179.25 180.99 1jdi h THR 102 N 0.90 1.21 -0.44 0.00 2.02 -0.91 -1.93 112.91 113.76 1jdi h THR 102 Ca 0.16 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 66.39 1jdi h THR 102 Cb 0.56 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 1jdi h THR 102 CO 0.03 0.30 0.28 0.40 0.37 0.00 0.00 175.52 176.90 1jdi h ILE 103 N 0.27 1.12 -0.72 3.11 2.04 -0.55 0.16 117.51 122.95 1jdi h ILE 103 Ca 0.05 -0.25 -0.07 0.00 1.00 0.00 0.00 64.86 65.60 1jdi h ILE 103 Cb 0.47 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 1jdi h ILE 103 CO 0.03 0.12 0.19 -0.50 0.00 0.00 0.00 178.15 178.00 1jdi h TRP 104 N 0.59 1.19 -0.34 1.37 4.06 -1.14 -1.52 115.95 120.17 1jdi h TRP 104 Ca 0.16 -0.13 -0.00 0.00 2.06 0.00 0.00 58.89 60.98 1jdi h TRP 104 Cb -0.05 -0.34 -0.02 0.00 -1.00 0.00 0.00 29.16 27.76 1jdi h TRP 104 CO -0.04 0.96 0.21 0.00 -3.56 0.00 0.00 178.44 176.01 1jdi h ALA 105 N 1.12 0.43 -0.20 1.49 0.00 -0.59 0.20 119.26 121.70 1jdi h ALA 105 Ca 0.23 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1jdi h ALA 105 Cb 0.35 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1jdi h ALA 105 CO -0.00 -0.08 -0.14 1.96 0.00 0.00 0.00 179.25 180.99 1jdi h GLN 106 N 0.45 0.34 0.00 0.00 4.20 -0.50 0.65 115.11 120.24 1jdi h GLN 106 Ca 0.12 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1jdi h GLN 106 Cb -0.01 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.73 1jdi h GLN 106 CO -0.02 0.48 0.00 0.00 -0.67 0.00 0.00 178.83 178.62 1jdi n ALA 107 N -2.48 2.14 -3.46 3.87 0.00 -0.59 -4.54 120.51 115.45 1jdi n ALA 107 Ca -0.00 -0.09 -0.24 0.00 0.00 0.00 0.00 53.44 53.11 1jdi n ALA 107 Cb 0.30 -1.40 0.07 0.00 0.00 0.00 0.00 19.45 18.42 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 0.99 -0.54 3.32 0.00 0.00 0.04 -5.00 105.19 103.99 1jdi n GLY 108 Ca 0.07 0.22 -0.24 0.00 0.00 0.00 0.00 46.02 46.07 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 -6.17 1.23 0.18 1.61 -0.21 -0.83 -5.01 119.66 110.46 1jdi s GLN 109 Ca 0.52 -1.28 -0.15 0.00 0.02 0.00 0.00 55.36 54.46 1jdi s GLN 109 Cb -0.23 -1.46 -0.07 0.00 1.00 0.00 0.00 33.01 32.25 1jdi s GLN 109 CO 0.64 0.32 0.61 -1.12 -2.12 0.00 0.00 175.29 173.62 1jdi s SER 110 N -2.21 6.87 -0.45 5.90 0.01 -1.26 -4.56 113.70 118.00 1jdi s SER 110 Ca 0.11 1.17 -0.24 0.00 1.31 0.00 0.00 55.95 58.30 1jdi s SER 110 Cb -0.09 -2.32 0.03 0.00 0.21 0.00 0.00 66.02 63.85 1jdi s SER 110 CO 0.06 0.05 0.85 -0.63 0.41 0.00 0.00 173.24 173.98 1jdi s ILE 111 N -1.54 4.57 0.49 1.44 1.01 -0.69 -4.92 121.20 121.57 1jdi s ILE 111 Ca 0.41 0.61 -0.20 0.00 0.00 0.00 0.00 60.65 61.47 1jdi s ILE 111 Cb -0.15 -4.37 -0.08 0.00 0.01 0.00 0.00 42.46 37.87 1jdi s ILE 111 CO 0.20 -0.75 1.03 -2.16 0.00 0.00 0.00 174.94 173.25 1jdi s PRO 112 N 3.50 3.81 -0.49 2.79 0.04 -1.26 -1.17 135.00 142.21 1jdi s PRO 112 Ca 0.33 1.29 -0.29 0.00 0.04 0.00 0.00 61.00 62.38 1jdi s PRO 112 Cb -0.11 -2.10 0.03 0.00 0.04 0.00 0.00 34.50 32.35 1jdi s PRO 112 CO 0.24 -0.42 1.19 0.00 0.04 0.00 0.00 177.00 178.06 1jdi s ALA 113 N -2.09 3.10 0.00 8.56 0.00 -1.26 -4.82 121.76 125.24 1jdi s ALA 113 Ca 0.66 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.11 1jdi s ALA 113 Cb -0.15 -3.94 0.00 0.00 0.00 0.00 0.00 23.12 19.03 1jdi s ALA 113 CO 0.21 -2.37 0.71 0.25 0.00 0.00 0.00 175.76 174.56 1jdi n THR 114 N 6.86 0.49 -3.73 0.00 -2.24 -1.26 -0.93 114.28 113.47 1jdi n THR 114 Ca 0.12 -0.67 -0.10 0.00 -2.27 0.00 0.00 64.05 61.13 1jdi n THR 114 Cb 0.49 0.82 -0.06 0.00 -2.10 0.00 0.00 70.33 69.48 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 -0.49 -0.13 0.50 3.38 0.00 -1.26 -4.74 107.32 104.58 1jdi s GLY 115 Ca 0.00 -0.22 0.28 0.00 0.00 0.00 0.00 44.72 44.79 1jdi s GLY 115 CO 0.00 -0.45 1.96 -0.91 0.00 0.00 0.00 173.10 173.71 1jdi h THR 116 N 2.64 0.40 -0.24 0.90 1.35 -1.97 -1.65 112.91 114.34 1jdi h THR 116 Ca -0.34 -0.75 0.02 0.00 -0.55 0.00 0.00 66.41 64.79 1jdi h THR 116 Cb 1.23 1.55 -0.02 0.00 -1.73 0.00 0.00 68.15 69.17 1jdi h THR 116 CO 0.50 0.13 0.09 0.74 -0.25 0.00 0.00 175.52 176.73 1jdi h THR 117 N 0.00 0.96 -0.08 6.82 2.02 -2.00 -0.93 112.91 119.69 1jdi h THR 117 Ca -0.00 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 1jdi h THR 117 Cb 0.54 0.73 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1jdi h THR 117 CO 0.02 0.04 0.00 -0.74 0.37 0.00 0.00 175.52 175.21 1jdi h HIS 118 N 0.21 0.15 -0.49 3.16 6.17 -1.84 -3.09 115.15 119.42 1jdi h HIS 118 Ca 0.10 -0.02 0.14 0.00 0.71 0.00 0.00 60.37 61.30 1jdi h HIS 118 Cb 0.06 -0.04 -0.02 0.00 2.52 0.00 0.00 27.41 29.93 1jdi h HIS 118 CO -0.11 0.39 0.37 0.00 0.71 0.00 0.00 177.93 179.29 1jdi h ALA 119 N 0.74 2.42 0.00 5.26 0.00 -0.97 0.39 119.26 127.10 1jdi h ALA 119 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1jdi h ALA 119 Cb 0.33 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1jdi h ALA 119 CO 0.00 -0.62 0.00 -0.44 0.00 0.00 0.00 179.25 178.19 1jdi h ASP 120 N 0.00 0.00 0.00 0.00 3.45 -1.08 -2.93 116.42 115.86 1jdi h ASP 120 Ca 0.23 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.69 1jdi h ASP 120 Cb 0.97 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.74 1jdi h ASP 120 CO -0.00 0.00 -0.72 -1.22 -1.57 0.00 0.00 179.24 175.73 1jdi n TYR 121 N -2.76 0.00 -4.01 4.55 4.02 -0.17 -4.84 117.16 113.96 1jdi n TYR 121 Ca 0.01 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.63 1jdi n TYR 121 Cb 0.29 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.44 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 -1.60 1.70 -1.39 -0.72 0.08 -0.05 -4.52 117.98 111.47 1jdi s PHE 122 Ca 0.00 -0.87 -0.15 0.00 0.12 0.00 0.00 56.93 56.02 1jdi s PHE 122 Cb 0.00 -1.34 0.06 0.00 -0.57 0.00 0.00 43.02 41.17 1jdi s PHE 122 CO 0.00 -0.54 2.03 0.98 -0.10 0.00 0.00 175.22 177.59 1jdi n TYR 123 N 4.79 3.96 0.00 0.36 9.36 -0.38 -4.29 117.16 130.96 1jdi n TYR 123 Ca -0.15 -2.93 0.00 0.00 3.32 0.00 0.00 57.90 58.14 1jdi n TYR 123 Cb 0.50 -2.56 0.00 0.00 -0.63 0.00 0.00 39.34 36.65 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 4.54 -0.26 3.73 2.98 0.00 -1.26 -4.89 105.19 110.02 1jdi n GLY 124 Ca 0.50 -2.22 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 1jdi n GLY 124 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jdi s THR 125 N 0.00 2.42 -0.47 2.61 2.01 -1.26 -4.48 115.64 116.48 1jdi s THR 125 Ca 0.00 0.31 -0.27 0.00 0.31 0.00 0.00 61.69 62.04 1jdi s THR 125 Cb 0.00 -3.20 0.03 0.00 0.01 0.00 0.00 72.50 69.34 1jdi s THR 125 CO 0.00 0.03 1.05 -0.63 -0.69 0.00 0.00 174.62 174.38 1jdi s ILE 126 N 0.84 4.33 0.50 1.82 1.01 -0.32 -4.94 121.20 124.43 1jdi s ILE 126 Ca 0.69 1.04 -0.22 0.00 0.00 0.00 0.00 60.65 62.15 1jdi s ILE 126 Cb -0.45 -4.53 -0.06 0.00 0.01 0.00 0.00 42.46 37.43 1jdi s ILE 126 CO 0.35 -0.92 1.23 -2.16 0.00 0.00 0.00 174.94 173.44 1jdi s PRO 127 N 4.14 3.50 -0.09 2.79 0.04 -1.26 -1.70 135.00 142.41 1jdi s PRO 127 Ca 0.43 1.92 0.03 0.00 0.04 0.00 0.00 61.00 63.42 1jdi s PRO 127 Cb -0.08 -2.31 -0.01 0.00 0.04 0.00 0.00 34.50 32.13 1jdi s PRO 127 CO 0.29 -0.81 -0.19 0.00 0.04 0.00 0.00 177.00 176.33 1jdi s THR 129 N 0.06 2.29 0.83 0.00 -4.23 0.97 -4.89 115.64 110.67 1jdi s THR 129 Ca -0.08 0.10 -0.12 0.00 -1.18 0.00 0.00 61.69 60.40 1jdi s THR 129 Cb -0.15 -2.68 0.10 0.00 1.34 0.00 0.00 72.50 71.11 1jdi s THR 129 CO 0.05 -0.12 1.19 0.00 -0.54 0.00 0.00 174.62 175.20 1jdi s ARG 130 N -5.06 1.75 0.64 3.99 1.70 -1.26 -4.10 118.95 116.62 1jdi s ARG 130 Ca 0.64 0.07 -0.16 0.00 -0.47 0.00 0.00 55.73 55.81 1jdi s ARG 130 Cb -0.17 -1.93 -0.01 0.00 -0.57 0.00 0.00 34.95 32.27 1jdi s ARG 130 CO 0.56 -1.74 1.14 0.15 -1.08 0.00 0.00 175.30 174.33 1jdi s LYS 131 N -5.58 2.83 0.29 3.89 1.02 -1.26 -4.54 119.74 116.39 1jdi s LYS 131 Ca 0.63 1.52 -0.15 0.00 0.02 0.00 0.00 55.97 57.99 1jdi s LYS 131 Cb -0.11 -1.94 -0.09 0.00 -0.52 0.00 0.00 37.83 35.17 1jdi s LYS 131 CO 0.50 -1.25 0.72 -1.64 -0.92 0.00 0.00 175.35 172.75 1jdi s MET 132 N -3.84 4.03 0.70 1.68 -1.94 -1.26 -5.07 119.30 113.60 1jdi s MET 132 Ca 0.70 0.67 -0.11 0.00 -1.71 0.00 0.00 55.69 55.24 1jdi s MET 132 Cb -0.23 -2.53 0.01 0.00 2.01 0.00 0.00 34.83 34.09 1jdi s MET 132 CO 0.38 0.22 1.08 0.95 -0.01 0.00 0.00 175.02 177.64 1jdi s THR 133 N -1.88 3.75 0.28 2.05 -4.23 -1.26 -4.84 115.64 109.51 1jdi s THR 133 Ca 0.51 0.57 -0.03 0.00 -1.18 0.00 0.00 61.69 61.56 1jdi s THR 133 Cb -0.11 -3.49 0.26 0.00 1.34 0.00 0.00 72.50 70.49 1jdi s THR 133 CO 0.18 -0.74 1.95 0.44 -0.54 0.00 0.00 174.62 175.91 1jdi h ASP 134 N -0.66 1.02 -0.37 3.99 3.32 -1.98 0.27 116.42 122.01 1jdi h ASP 134 Ca -0.45 -0.03 0.02 0.00 0.02 0.00 0.00 57.03 56.59 1jdi h ASP 134 Cb 1.24 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.50 1jdi h ASP 134 CO 0.62 0.74 0.20 0.00 -1.72 0.00 0.00 179.24 179.08 1jdi h ALA 135 N 1.44 0.46 -0.43 3.45 0.00 -1.97 0.14 119.26 122.36 1jdi h ALA 135 Ca 0.32 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 1jdi h ALA 135 Cb -0.14 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1jdi h ALA 135 CO -0.07 -0.16 0.07 0.93 0.00 0.00 0.00 179.25 180.02 1jdi h GLU 136 N 0.41 0.71 -0.57 0.00 5.08 -1.75 -0.61 114.58 117.84 1jdi h GLU 136 Ca 0.15 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 1jdi h GLU 136 Cb 0.04 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1jdi h GLU 136 CO -0.09 0.74 0.06 0.82 -1.00 0.00 0.00 179.01 179.54 1jdi h ILE 137 N 0.56 1.26 -0.00 3.13 2.04 -0.66 -3.03 117.51 120.81 1jdi h ILE 137 Ca 0.13 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 64.96 1jdi h ILE 137 Cb 0.37 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1jdi h ILE 137 CO 0.01 0.38 -0.17 0.59 0.00 0.00 0.00 178.15 178.95 1jdi n ASN 138 N -4.29 0.41 0.00 1.72 3.02 0.46 -4.35 115.26 112.23 1jdi n ASN 138 Ca 0.02 -0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.26 1jdi n ASN 138 Cb 0.30 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.38 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 1.37 0.65 3.32 7.41 0.00 -0.24 -4.87 105.19 112.83 1jdi n GLY 139 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 3.35 -0.13 1.61 -0.58 -1.26 -4.90 120.64 118.73 1jdi n GLU 140 Ca 0.00 -3.59 -0.03 0.00 -0.42 0.00 0.00 57.16 53.12 1jdi n GLU 140 Cb 0.00 -3.13 -0.03 0.00 -0.57 0.00 0.00 31.44 27.71 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 5.88 -0.14 -0.34 -0.32 9.36 -1.25 0.65 117.16 131.00 1jdi n TYR 141 Ca 0.41 0.40 0.03 0.00 3.32 0.00 0.00 57.90 62.05 1jdi n TYR 141 Cb 0.42 -0.52 0.17 0.00 -0.63 0.00 0.00 39.34 38.78 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 1.00 -0.39 2.98 3.07 -1.90 0.44 114.58 119.77 1jdi h GLU 142 Ca 0.05 -0.06 -0.11 0.00 -0.50 0.00 0.00 59.36 58.74 1jdi h GLU 142 Cb 0.13 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 27.80 1jdi h GLU 142 CO -0.30 0.66 -0.17 2.35 -1.40 0.00 0.00 179.01 180.15 1jdi h TRP 143 N 1.03 0.92 -0.44 4.33 2.91 -1.67 -2.61 115.95 120.42 1jdi h TRP 143 Ca 0.42 -0.22 -0.06 0.00 1.13 0.00 0.00 58.89 60.16 1jdi h TRP 143 Cb 0.24 -0.22 -0.02 0.00 -0.51 0.00 0.00 29.16 28.66 1jdi h TRP 143 CO -0.02 0.97 0.03 1.49 -1.03 0.00 0.00 178.44 179.88 1jdi h GLU 144 N 0.61 0.70 -0.90 2.65 4.57 0.13 -1.44 114.58 120.90 1jdi h GLU 144 Ca 0.09 -0.16 0.02 0.00 -1.18 0.00 0.00 59.36 58.13 1jdi h GLU 144 Cb 0.72 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 29.16 1jdi h GLU 144 CO 0.05 0.70 0.59 1.15 -1.18 0.00 0.00 179.01 180.32 1jdi h THR 145 N 0.67 1.19 -0.61 0.32 2.02 0.07 -0.40 112.91 116.16 1jdi h THR 145 Ca 0.14 -0.40 -0.05 0.00 0.77 0.00 0.00 66.41 66.86 1jdi h THR 145 Cb 0.37 -0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.67 1jdi h THR 145 CO 0.01 0.21 0.18 1.23 0.37 0.00 0.00 175.52 177.52 1jdi h GLY 146 N 1.17 1.03 0.98 2.16 0.00 -0.92 -2.46 103.07 105.03 1jdi h GLY 146 Ca 0.35 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1jdi h GLY 146 CO -0.09 0.58 0.27 3.43 0.00 0.00 0.00 176.54 180.73 1jdi h ASN 147 N 0.88 0.59 -0.93 0.19 2.35 -0.46 -1.51 115.58 116.69 1jdi h ASN 147 Ca 0.20 -0.08 0.05 0.00 -0.55 0.00 0.00 56.30 55.92 1jdi h ASN 147 Cb 0.31 -0.15 -0.06 0.00 0.05 0.00 0.00 38.32 38.47 1jdi h ASN 147 CO -0.00 0.50 0.60 0.58 -1.65 0.00 0.00 177.43 177.45 1jdi h VAL 148 N 0.63 1.10 -0.03 2.81 2.07 -0.95 0.24 116.25 122.11 1jdi h VAL 148 Ca 0.17 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 1jdi h VAL 148 Cb 0.04 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 29.70 1jdi h VAL 148 CO -0.03 0.20 0.02 0.40 0.02 0.00 0.00 177.57 178.18 1jdi h ILE 149 N 1.11 1.07 -0.45 4.57 2.04 -0.98 -0.36 117.51 124.52 1jdi h ILE 149 Ca 0.39 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 66.04 1jdi h ILE 149 Cb 0.11 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 1jdi h ILE 149 CO -0.16 0.06 0.28 0.58 0.00 0.00 0.00 178.15 178.92 1jdi h VAL 150 N -0.03 1.13 -0.97 1.67 2.07 -0.57 -2.12 116.25 117.42 1jdi h VAL 150 Ca 0.01 -0.26 0.04 0.00 0.82 0.00 0.00 66.70 67.31 1jdi h VAL 150 Cb 0.08 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 30.29 1jdi h VAL 150 CO -0.00 0.13 0.63 -0.08 0.02 0.00 0.00 177.57 178.27 1jdi h GLU 151 N 0.60 1.17 -0.21 1.57 4.81 -0.37 -0.84 114.58 121.31 1jdi h GLU 151 Ca 0.16 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.35 1jdi h GLU 151 Cb -0.04 -0.26 -0.03 0.00 0.63 0.00 0.00 28.75 29.05 1jdi h GLU 151 CO -0.03 0.77 0.04 1.15 -0.73 0.00 0.00 179.01 180.21 1jdi h THR 152 N 1.20 0.91 -0.42 0.32 2.02 -0.42 0.25 112.91 116.77 1jdi h THR 152 Ca 0.40 -0.04 -0.09 0.00 0.77 0.00 0.00 66.41 67.44 1jdi h THR 152 Cb 0.04 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1jdi h THR 152 CO -0.14 0.02 -0.10 -0.26 0.37 0.00 0.00 175.52 175.42 1jdi h PHE 153 N 0.13 0.81 0.40 3.16 -1.00 -0.92 -2.52 116.94 117.00 1jdi h PHE 153 Ca 0.10 -0.14 -0.02 0.00 2.81 0.00 0.00 57.97 60.72 1jdi h PHE 153 Cb 0.09 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 39.45 1jdi h PHE 153 CO -0.15 0.81 -0.19 0.93 -1.61 0.00 0.00 178.31 178.10 1jdi h GLU 154 N 0.67 -0.51 -0.02 1.51 5.08 -0.81 0.42 114.58 120.92 1jdi h GLU 154 Ca 0.12 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1jdi h GLU 154 Cb 0.56 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 1jdi h GLU 154 CO 0.03 -0.21 0.03 0.87 -1.00 0.00 0.00 179.01 178.73 1jdi h LYS 155 N -0.99 0.00 -0.22 2.33 1.57 -1.01 -0.96 116.57 117.29 1jdi h LYS 155 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1jdi h LYS 155 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1jdi h LYS 155 CO 0.09 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 180.01 1jdi n GLN 156 N -3.71 2.26 -3.67 3.15 6.02 -0.95 -4.99 117.38 115.49 1jdi n GLN 156 Ca -0.03 -2.04 -0.23 0.00 -0.01 0.00 0.00 57.00 54.69 1jdi n GLN 156 Cb 0.11 -1.45 0.06 0.00 1.02 0.00 0.00 30.24 29.97 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 1.32 -0.42 3.44 1.08 0.00 -0.37 -4.99 105.19 105.24 1jdi n GLY 157 Ca 0.16 0.17 -0.33 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.42 3.46 -0.33 -0.61 2.07 0.03 -5.04 121.20 117.36 1jdi s ILE 158 Ca 0.32 -0.52 -0.29 0.00 -1.41 0.00 0.00 60.65 58.75 1jdi s ILE 158 Cb -0.15 -2.48 0.01 0.00 0.13 0.00 0.00 42.46 39.97 1jdi s ILE 158 CO 0.78 0.51 1.12 -0.62 -1.91 0.00 0.00 174.94 174.83 1jdi s ASP 159 N 0.30 6.86 0.63 4.50 3.68 -1.26 -4.66 116.67 126.71 1jdi s ASP 159 Ca -0.07 1.04 0.30 0.00 2.13 0.00 0.00 52.55 55.95 1jdi s ASP 159 Cb -0.15 -2.54 1.61 0.00 -1.45 0.00 0.00 42.92 40.39 1jdi s ASP 159 CO 0.04 -0.95 1.96 0.00 0.13 0.00 0.00 175.17 176.35 1jdi h ALA 160 N 8.40 1.67 0.00 3.66 0.00 -1.96 0.39 119.26 131.43 1jdi h ALA 160 Ca -0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1jdi h ALA 160 Cb 1.07 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1jdi h ALA 160 CO 1.04 -0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.85 1jdi h ALA 161 N 1.46 1.00 -0.00 0.00 0.00 -1.99 -3.23 119.26 116.50 1jdi h ALA 161 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1jdi h ALA 161 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1jdi h ALA 161 CO -0.00 0.00 -0.44 1.04 0.00 0.00 0.00 179.25 179.85 1jdi n GLN 162 N -2.63 2.50 -3.50 0.00 6.02 0.13 -4.74 117.38 115.15 1jdi n GLN 162 Ca 0.05 -0.31 -0.27 0.00 -0.01 0.00 0.00 57.00 56.46 1jdi n GLN 162 Cb 0.45 -1.12 -0.10 0.00 1.02 0.00 0.00 30.24 30.49 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 -0.80 0.82 -0.07 -1.09 1.56 -0.71 -1.24 117.12 115.59 1jdi n MET 163 Ca 0.04 -3.61 0.00 0.00 -0.27 0.00 0.00 57.70 53.86 1jdi n MET 163 Cb 0.23 -1.81 0.00 0.00 2.15 0.00 0.00 33.22 33.79 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 0.54 -3.45 2.12 -0.04 -1.25 -4.71 135.00 130.52 1jdi n PRO 164 Ca 0.26 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.60 1jdi n PRO 164 Cb 0.45 -1.23 -0.03 0.00 -0.04 0.00 0.00 33.50 32.65 1jdi n PRO 164 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1jdi s GLY 165 N 1.25 -0.57 -0.00 0.55 0.00 -1.26 -1.63 107.32 105.66 1jdi s GLY 165 Ca 0.00 0.73 -0.29 0.00 0.00 0.00 0.00 44.72 45.17 1jdi s GLY 165 CO 0.00 0.31 0.68 0.54 0.00 0.00 0.00 173.10 174.63 1jdi s VAL 166 N -3.26 0.00 -0.13 1.40 0.11 0.03 -4.56 120.40 113.99 1jdi s VAL 166 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.06 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 -0.09 0.00 -0.15 -0.76 -3.33 0.00 0.00 175.10 170.77 1jdi s LEU 167 N -1.61 2.61 -0.37 2.54 1.43 0.28 -1.09 118.68 122.47 1jdi s LEU 167 Ca -0.07 -0.37 -0.15 0.00 -1.03 0.00 0.00 54.13 52.50 1jdi s LEU 167 Cb -0.00 -1.58 -0.00 0.00 0.03 0.00 0.00 46.19 44.63 1jdi s LEU 167 CO 0.03 0.15 0.35 -0.69 0.23 0.00 0.00 176.35 176.43 1jdi s VAL 168 N 0.41 5.18 -0.05 -1.59 1.01 -0.36 -0.02 120.40 124.98 1jdi s VAL 168 Ca -0.11 -0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.40 1jdi s VAL 168 Cb -0.16 -3.86 -0.14 0.00 0.00 0.00 0.00 36.38 32.21 1jdi s VAL 168 CO 0.06 -0.18 0.83 1.57 0.00 0.00 0.00 175.10 177.37 1jdi n HIS 169 N 5.35 0.58 -0.91 5.22 -0.00 -1.26 0.00 115.22 124.20 1jdi n HIS 169 Ca -0.10 0.77 0.00 0.00 0.46 0.00 0.00 57.72 58.86 1jdi n HIS 169 Cb 0.49 -1.52 0.00 0.00 -0.12 0.00 0.00 29.99 28.84 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 1.34 -4.90 0.00 0.26 7.64 -0.15 -4.75 113.62 113.06 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 -3.29 0.00 0.00 -1.01 0.00 0.00 64.21 59.95 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 -2.01 0.00 -1.15 1.43 -0.00 0.10 -4.82 115.22 108.77 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 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.40 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 4.18 -1.52 3.85 1.57 0.00 -1.01 -4.84 105.19 107.41 1jdi n GLY 172 Ca 0.00 -1.05 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.51 3.89 -0.04 1.61 0.04 -1.23 -1.22 135.00 136.54 1jdi s PRO 173 Ca 0.00 0.88 0.00 0.00 0.04 0.00 0.00 61.00 61.92 1jdi s PRO 173 Cb 0.00 -2.16 0.03 0.00 0.04 0.00 0.00 34.50 32.41 1jdi s PRO 173 CO 0.00 -0.27 -0.00 -0.06 0.04 0.00 0.00 177.00 176.70 1jdi s PHE 174 N -2.65 0.42 0.21 0.56 0.08 -0.25 -3.27 117.98 113.08 1jdi s PHE 174 Ca 0.58 -0.04 0.05 0.00 0.12 0.00 0.00 56.93 57.63 1jdi s PHE 174 Cb -0.10 -0.51 -0.05 0.00 -0.57 0.00 0.00 43.02 41.79 1jdi s PHE 174 CO 0.34 -0.17 -0.06 0.00 -0.10 0.00 0.00 175.22 175.23 1jdi s ALA 175 N 1.18 1.86 0.24 5.36 0.00 0.63 -0.79 121.76 130.24 1jdi s ALA 175 Ca -0.07 -1.71 -0.15 0.00 0.00 0.00 0.00 51.96 50.03 1jdi s ALA 175 Cb -0.13 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.21 1jdi s ALA 175 CO -0.02 -0.12 0.52 1.67 0.00 0.00 0.00 175.76 177.81 1jdi s TRP 176 N -3.24 0.19 0.00 0.00 -2.14 -0.64 0.15 118.94 113.25 1jdi s TRP 176 Ca 0.25 -0.57 -0.00 0.00 2.66 0.00 0.00 56.10 58.44 1jdi s TRP 176 Cb 0.03 0.30 0.00 0.00 -3.10 0.00 0.00 33.47 30.71 1jdi s TRP 176 CO 0.07 -1.01 0.01 0.41 -2.66 0.00 0.00 176.95 173.76 1jdi n GLY 177 N -0.38 1.51 0.24 3.67 0.00 -0.57 -4.52 105.19 105.15 1jdi n GLY 177 Ca -0.04 -0.95 0.06 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 0.05 0.00 1.61 1.57 -1.87 0.25 116.57 118.19 1jdi h LYS 178 Ca -0.00 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 1jdi h LYS 178 Cb 0.01 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1jdi h LYS 178 CO 0.00 0.15 0.08 0.27 -0.57 0.00 0.00 179.45 179.38 1jdi n ASN 179 N -4.40 -1.17 0.06 0.86 0.23 -1.26 -3.49 115.26 106.08 1jdi n ASN 179 Ca -0.02 -2.00 -0.11 0.00 -0.53 0.00 0.00 54.58 51.92 1jdi n ASN 179 Cb 0.18 2.01 -0.05 0.00 -2.08 0.00 0.00 39.78 39.85 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 1.93 -0.25 -0.13 -2.53 0.00 -1.83 -0.66 119.26 115.80 1jdi h ALA 180 Ca -0.19 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1jdi h ALA 180 Cb 0.72 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1jdi h ALA 180 CO 0.24 -0.69 0.04 1.49 0.00 0.00 0.00 179.25 180.33 1jdi h GLU 181 N -0.32 0.09 -0.86 0.00 4.81 -1.96 -1.75 114.58 114.59 1jdi h GLU 181 Ca 0.05 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.33 1jdi h GLU 181 Cb 0.39 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.69 1jdi h GLU 181 CO -0.17 0.06 0.56 0.22 -0.73 0.00 0.00 179.01 178.95 1jdi h ASP 182 N 0.10 0.90 -0.51 1.04 3.58 -1.90 -1.23 116.42 118.39 1jdi h ASP 182 Ca 0.06 -0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.39 1jdi h ASP 182 Cb 0.04 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 40.87 1jdi h ASP 182 CO -0.07 0.60 -0.10 0.00 -2.88 0.00 0.00 179.24 176.79 1jdi h ALA 183 N 1.51 0.81 -0.78 -0.78 0.00 -0.73 -1.96 119.26 117.34 1jdi h ALA 183 Ca 0.35 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1jdi h ALA 183 Cb 0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1jdi h ALA 183 CO -0.12 0.66 0.33 0.28 0.00 0.00 0.00 179.25 180.41 1jdi h VAL 184 N 0.88 1.25 -0.57 0.00 2.07 -0.39 -0.26 116.25 119.23 1jdi h VAL 184 Ca 0.14 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 1jdi h VAL 184 Cb 0.66 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1jdi h VAL 184 CO 0.05 0.32 0.31 0.45 0.02 0.00 0.00 177.57 178.71 1jdi h HIS 185 N 1.12 0.79 -0.41 1.57 -0.00 -0.97 -1.28 115.15 115.96 1jdi h HIS 185 Ca 0.26 -0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.54 1jdi h HIS 185 Cb 0.18 -0.25 -0.02 0.00 -0.00 0.00 0.00 27.41 27.32 1jdi h HIS 185 CO 0.02 0.58 -0.05 -0.91 -0.00 0.00 0.00 177.93 177.56 1jdi h ASN 186 N 0.77 0.66 -0.38 2.45 2.35 -0.98 -1.85 115.58 118.60 1jdi h ASN 186 Ca 0.20 -0.16 -0.08 0.00 -0.55 0.00 0.00 56.30 55.71 1jdi h ASN 186 Cb 0.05 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 1jdi h ASN 186 CO -0.03 0.76 -0.03 0.00 -1.65 0.00 0.00 177.43 176.48 1jdi h ALA 187 N 1.31 1.08 0.00 -0.83 0.00 -0.48 0.00 119.26 120.35 1jdi h ALA 187 Ca 0.12 -0.28 -0.20 0.00 0.00 0.00 0.00 54.91 54.55 1jdi h ALA 187 Cb 0.47 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1jdi h ALA 187 CO 0.02 0.58 -0.88 -0.84 0.00 0.00 0.00 179.25 178.12 1jdi h ILE 188 N 0.72 1.49 -0.22 0.00 3.07 -0.91 -2.52 117.51 119.13 1jdi h ILE 188 Ca 0.14 -2.61 -0.18 0.00 1.55 0.00 0.00 64.86 63.76 1jdi h ILE 188 Cb 0.49 2.47 -0.00 0.00 -0.27 0.00 0.00 36.82 39.50 1jdi h ILE 188 CO 0.02 0.76 -0.58 0.58 -1.05 0.00 0.00 178.15 177.89 1jdi h VAL 189 N 0.12 1.30 -0.31 0.16 2.07 -1.19 -1.77 116.25 116.63 1jdi h VAL 189 Ca -0.05 -1.81 0.04 0.00 0.82 0.00 0.00 66.70 65.71 1jdi h VAL 189 Cb 1.52 1.75 -0.04 0.00 -1.52 0.00 0.00 31.29 33.00 1jdi h VAL 189 CO 0.14 0.57 0.06 0.25 0.02 0.00 0.00 177.57 178.61 1jdi h LEU 190 N 0.52 0.01 -0.97 2.57 5.85 -0.94 0.11 115.31 122.45 1jdi h LEU 190 Ca 0.00 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1jdi h LEU 190 Cb 1.15 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.21 1jdi h LEU 190 CO 0.12 0.04 0.58 -0.08 -0.34 0.00 0.00 178.44 178.76 1jdi h GLU 191 N 0.17 1.28 0.26 1.25 4.57 -1.35 -0.79 114.58 119.97 1jdi h GLU 191 Ca 0.14 -0.11 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 1jdi h GLU 191 Cb 0.15 -0.27 0.00 0.00 -0.16 0.00 0.00 28.75 28.48 1jdi h GLU 191 CO -0.19 0.89 -0.12 1.49 -1.18 0.00 0.00 179.01 179.90 1jdi h GLU 192 N 1.31 -0.34 0.00 1.92 4.57 -0.26 -0.79 114.58 120.99 1jdi h GLU 192 Ca 0.34 0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.51 1jdi h GLU 192 Cb -0.07 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 1jdi h GLU 192 CO -0.07 -0.16 -0.18 -0.39 -1.18 0.00 0.00 179.01 177.03 1jdi h VAL 193 N -0.43 0.51 -0.22 0.32 -1.51 -0.71 -1.71 116.25 112.49 1jdi h VAL 193 Ca -0.04 -0.90 -0.05 0.00 -1.23 0.00 0.00 66.70 64.48 1jdi h VAL 193 Cb 0.33 1.62 -0.01 0.00 -2.13 0.00 0.00 31.29 31.10 1jdi h VAL 193 CO 0.06 0.17 -0.07 0.00 -1.23 0.00 0.00 177.57 176.51 1jdi h ALA 194 N 1.82 0.31 0.61 5.19 0.00 -0.81 0.24 119.26 126.63 1jdi h ALA 194 Ca -0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1jdi h ALA 194 Cb 0.61 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.32 1jdi h ALA 194 CO 0.02 0.11 -0.29 -0.92 0.00 0.00 0.00 179.25 178.16 1jdi h TYR 195 N 0.16 -0.76 0.00 0.00 5.03 -0.62 -2.60 116.97 118.17 1jdi h TYR 195 Ca 0.05 -0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.32 1jdi h TYR 195 Cb 0.53 0.25 -0.00 0.00 1.55 0.00 0.00 36.73 39.06 1jdi h TYR 195 CO 0.05 -0.46 -0.14 0.52 -1.32 0.00 0.00 178.16 176.81 1jdi h MET 196 N -0.86 0.00 -0.33 1.82 0.00 -1.37 -2.41 114.93 111.79 1jdi h MET 196 Ca -0.08 0.00 -0.06 0.00 0.00 0.00 0.00 59.70 59.56 1jdi h MET 196 Cb 0.65 0.00 -0.02 0.00 0.00 0.00 0.00 31.60 32.23 1jdi h MET 196 CO 0.14 0.14 -0.03 0.78 0.00 0.00 0.00 176.91 177.94 1jdi h GLY 197 N 0.45 0.56 0.77 8.32 0.00 -0.69 0.20 103.07 112.68 1jdi h GLY 197 Ca -0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 1jdi h GLY 197 CO 0.02 0.32 0.01 -2.22 0.00 0.00 0.00 176.54 174.67 1jdi h ILE 198 N 0.49 1.21 0.00 2.60 2.04 -1.05 -2.88 117.51 119.92 1jdi h ILE 198 Ca 0.10 -0.63 -0.06 0.00 1.00 0.00 0.00 64.86 65.27 1jdi h ILE 198 Cb 0.37 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 1jdi h ILE 198 CO 0.02 0.17 -0.49 -0.26 0.00 0.00 0.00 178.15 177.58 1jdi h PHE 199 N -0.16 0.00 0.00 1.37 0.04 -1.52 -2.77 116.94 113.90 1jdi h PHE 199 Ca 0.02 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.71 1jdi h PHE 199 Cb 0.27 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 1jdi h PHE 199 CO 0.01 0.28 -0.35 0.00 -0.60 0.00 0.00 178.31 177.65 1jdi h ARG 201 N 0.00 0.85 -0.65 0.00 2.43 -1.46 -0.27 114.38 115.28 1jdi h ARG 201 Ca -0.00 -0.54 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 1jdi h ARG 201 Cb 1.08 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.66 1jdi h ARG 201 CO 0.05 1.17 0.41 0.37 -1.51 0.00 0.00 179.97 180.46 1jdi h GLN 202 N 0.62 0.87 -0.22 0.20 4.15 -1.19 0.15 115.11 119.69 1jdi h GLN 202 Ca 0.01 -0.06 -0.14 0.00 0.77 0.00 0.00 58.65 59.23 1jdi h GLN 202 Cb 1.13 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.62 1jdi h GLN 202 CO 0.12 0.60 -0.43 -0.07 -1.93 0.00 0.00 178.83 177.11 1jdi h LEU 203 N 0.88 0.58 -6.49 -2.39 3.38 -1.23 -3.38 115.31 106.67 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 -0.07 -0.16 -0.39 0.00 0.09 0.00 0.00 40.66 40.13 1jdi h LEU 203 CO -0.05 0.94 -0.91 0.00 0.09 0.00 0.00 178.44 178.52 1jdi s ALA 204 N -4.19 1.75 0.60 1.53 0.00 -0.12 -4.98 121.76 116.36 1jdi s ALA 204 Ca -0.07 -2.64 0.31 0.00 0.00 0.00 0.00 51.96 49.55 1jdi s ALA 204 Cb 0.12 -1.68 1.78 0.00 0.00 0.00 0.00 23.12 23.34 1jdi s ALA 204 CO 0.82 -2.00 2.16 -1.00 0.00 0.00 0.00 175.76 175.75 1jdi h PRO 205 N 5.66 0.00 -0.43 0.00 0.13 -0.90 -1.33 132.00 135.13 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 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1jdi h PRO 205 CO 0.42 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.23 1jdi n GLN 206 N -3.69 3.77 -1.69 0.86 3.00 -1.26 -5.00 117.38 113.36 1jdi n GLN 206 Ca -0.00 -2.92 -0.42 0.00 -0.01 0.00 0.00 57.00 53.64 1jdi n GLN 206 Cb 0.23 -1.97 -0.03 0.00 0.00 0.00 0.00 30.24 28.47 1jdi n GLN 206 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1jdi n LEU 207 N 0.19 4.09 -4.85 1.08 0.00 -0.50 -4.97 117.00 112.04 1jdi n LEU 207 Ca 0.24 0.98 -0.31 0.00 0.00 0.00 0.00 56.01 56.91 1jdi n LEU 207 Cb 0.98 -1.55 -0.00 0.00 0.00 0.00 0.00 43.42 42.84 1jdi n LEU 207 CO 0.22 0.20 0.71 -2.16 0.00 0.00 0.00 177.39 176.36 1jdi s PRO 208 N 2.82 3.66 0.83 1.96 0.04 -1.26 -5.01 135.00 138.04 1jdi s PRO 208 Ca 0.82 0.86 -0.13 0.00 0.04 0.00 0.00 61.00 62.59 1jdi s PRO 208 Cb -0.47 -2.09 0.09 0.00 0.04 0.00 0.00 34.50 32.07 1jdi s PRO 208 CO 0.37 -0.52 1.15 -0.25 0.04 0.00 0.00 177.00 177.80 1jdi n ASP 209 N -2.34 0.78 -4.69 6.66 10.43 -1.26 -4.92 116.55 121.21 1jdi n ASP 209 Ca 0.06 0.56 -0.33 0.00 2.57 0.00 0.00 54.79 57.65 1jdi n ASP 209 Cb 0.54 -1.49 0.14 0.00 1.84 0.00 0.00 41.12 42.15 1jdi n ASP 209 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1jdi s MET 210 N -4.13 1.51 0.15 -1.24 0.23 -0.10 -4.89 119.30 110.82 1jdi s MET 210 Ca 0.72 1.73 -0.34 0.00 -1.03 0.00 0.00 55.69 56.76 1jdi s MET 210 Cb -0.28 -1.76 -0.15 0.00 -1.53 0.00 0.00 34.83 31.11 1jdi s MET 210 CO 0.52 -2.31 1.46 1.04 -2.03 0.00 0.00 175.02 173.71 1jdi n GLN 211 N -3.48 1.80 -0.33 3.16 6.02 -1.26 -4.84 117.38 118.45 1jdi n GLN 211 Ca 0.13 0.65 0.05 0.00 -0.01 0.00 0.00 57.00 57.82 1jdi n GLN 211 Cb 0.51 -2.35 0.23 0.00 1.02 0.00 0.00 30.24 29.65 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 5.13 1.01 -0.67 -1.09 5.75 -1.99 -0.58 115.11 122.67 1jdi h GLN 212 Ca -0.46 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.00 1jdi h GLN 212 Cb 1.28 -0.23 -0.04 0.00 1.07 0.00 0.00 27.48 29.57 1jdi h GLN 212 CO 0.83 0.67 0.43 1.15 -2.65 0.00 0.00 178.83 179.25 1jdi h THR 213 N 1.04 1.13 -0.40 2.39 2.02 -1.99 0.90 112.91 117.99 1jdi h THR 213 Ca 0.43 -0.29 -0.12 0.00 0.77 0.00 0.00 66.41 67.19 1jdi h THR 213 Cb 0.29 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 1jdi h THR 213 CO -0.18 0.16 -0.23 0.25 0.37 0.00 0.00 175.52 175.88 1jdi h LEU 214 N 0.86 0.90 -0.24 2.58 5.85 -1.69 0.04 115.31 123.62 1jdi h LEU 214 Ca 0.26 -0.42 0.01 0.00 0.84 0.00 0.00 57.88 58.57 1jdi h LEU 214 Cb -0.04 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.73 1jdi h LEU 214 CO -0.08 1.12 0.14 0.25 -0.34 0.00 0.00 178.44 179.53 1jdi h LEU 215 N 0.68 0.24 -0.20 2.25 6.46 -0.69 -2.03 115.31 122.02 1jdi h LEU 215 Ca 0.08 -0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.84 1jdi h LEU 215 Cb 0.80 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.67 1jdi h LEU 215 CO 0.07 0.18 0.12 0.78 -0.62 0.00 0.00 178.44 178.96 1jdi h ASN 216 N 0.30 0.25 -0.36 1.25 2.35 -0.70 -0.70 115.58 117.97 1jdi h ASN 216 Ca 0.09 -0.05 0.08 0.00 -0.55 0.00 0.00 56.30 55.86 1jdi h ASN 216 Cb -0.02 -0.06 -0.08 0.00 0.05 0.00 0.00 38.32 38.21 1jdi h ASN 216 CO -0.03 0.23 -0.16 0.50 -1.65 0.00 0.00 177.43 176.31 1jdi h LYS 217 N 0.24 -0.10 -0.01 0.81 3.11 -0.73 -0.40 116.57 119.49 1jdi h LYS 217 Ca 0.07 0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.91 1jdi h LYS 217 Cb 0.03 0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 31.28 1jdi h LYS 217 CO -0.01 -0.07 -0.02 0.45 -2.81 0.00 0.00 179.45 176.99 1jdi h HIS 218 N -0.10 0.04 -0.18 1.91 3.86 -1.22 -2.37 115.15 117.09 1jdi h HIS 218 Ca 0.18 -0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.27 1jdi h HIS 218 Cb 0.38 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 28.84 1jdi h HIS 218 CO -0.39 0.56 -0.30 -0.92 0.86 0.00 0.00 177.93 177.74 1jdi h TYR 219 N -0.49 0.64 0.00 2.45 5.03 -0.92 -3.20 116.97 120.48 1jdi h TYR 219 Ca 0.00 -0.22 -0.08 0.00 2.58 0.00 0.00 58.73 61.01 1jdi h TYR 219 Cb 0.55 -0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.70 1jdi h TYR 219 CO 0.11 0.94 -0.38 -0.07 -1.32 0.00 0.00 178.16 177.44 1jdi h LEU 220 N 0.16 0.00 0.23 2.82 4.07 -1.21 -3.10 115.31 118.28 1jdi h LEU 220 Ca 0.01 0.00 0.01 0.00 0.08 0.00 0.00 57.88 57.98 1jdi h LEU 220 Cb 0.88 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.60 1jdi h LEU 220 CO 0.07 0.38 -0.32 -0.09 -1.08 0.00 0.00 178.44 177.40 1jdi h ARG 221 N 0.00 -0.59 0.00 1.13 2.43 -1.42 -3.41 114.38 112.52 1jdi h ARG 221 Ca -0.00 0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 1jdi h ARG 221 Cb 0.70 0.13 0.01 0.00 -0.42 0.00 0.00 29.97 30.39 1jdi h ARG 221 CO 0.05 -0.39 0.03 1.63 -1.51 0.00 0.00 179.97 179.77 1jdi n LYS 222 N -5.43 0.14 -0.20 0.20 5.02 -1.17 -5.12 118.16 111.61 1jdi n LYS 222 Ca -0.08 -0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.01 1jdi n LYS 222 Cb 0.33 -0.10 0.00 0.00 -0.02 0.00 0.00 35.03 35.25 1jdi n LYS 222 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60