#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jdd n GLN 2 N 0.00 2.35 -2.69 -0.67 7.27 -1.26 -4.96 117.38 117.41 1jdd n GLN 2 Ca 0.00 0.82 -0.07 0.00 0.07 0.00 0.00 57.00 57.82 1jdd n GLN 2 Cb 0.00 -2.47 0.03 0.00 2.41 0.00 0.00 30.24 30.22 1jdd n GLN 2 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1jdd n ALA 3 N 0.45 3.27 -2.99 1.69 0.00 -1.26 -3.80 120.51 117.88 1jdd n ALA 3 Ca 0.04 -3.08 -0.16 0.00 0.00 0.00 0.00 53.44 50.24 1jdd n ALA 3 Cb 0.37 -0.90 0.05 0.00 0.00 0.00 0.00 19.45 18.97 1jdd n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jdd n GLY 4 N -0.23 1.86 3.92 0.00 0.00 -1.26 -4.44 105.19 105.04 1jdd n GLY 4 Ca 0.10 -2.18 -0.27 0.00 0.00 0.00 0.00 46.02 43.68 1jdd n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jdd s LYS 5 N -3.73 3.55 1.08 1.61 1.02 -1.26 -0.07 119.74 121.94 1jdd s LYS 5 Ca 0.40 -0.22 -0.17 0.00 0.02 0.00 0.00 55.97 56.00 1jdd s LYS 5 Cb -0.03 -2.71 0.23 0.00 -0.52 0.00 0.00 37.83 34.80 1jdd s LYS 5 CO 0.25 0.25 1.16 -1.54 -0.92 0.00 0.00 175.35 174.55 1jdd s SER 6 N -3.46 1.99 0.46 2.83 1.04 -0.46 -4.84 113.70 111.26 1jdd s SER 6 Ca 0.41 0.66 0.31 0.00 0.48 0.00 0.00 55.95 57.81 1jdd s SER 6 Cb -0.10 -0.95 1.61 0.00 0.10 0.00 0.00 66.02 66.68 1jdd s SER 6 CO 0.32 -3.46 1.95 -0.65 0.98 0.00 0.00 173.24 172.37 1jdd h PRO 7 N -2.13 0.00 -0.36 4.02 0.11 -1.99 0.15 132.00 131.80 1jdd h PRO 7 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1jdd h PRO 7 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1jdd h PRO 7 CO 0.42 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.30 1jdd n ASN 8 N -2.62 4.11 -1.32 -2.05 3.02 -1.26 -4.95 115.26 110.20 1jdd n ASN 8 Ca -0.01 -2.78 -0.16 0.00 -0.03 0.00 0.00 54.58 51.59 1jdd n ASN 8 Cb 0.10 -0.52 -0.06 0.00 -0.61 0.00 0.00 39.78 38.69 1jdd n ASN 8 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jdd n ALA 9 N -0.00 -0.28 -2.31 5.41 0.00 0.04 -4.98 120.51 118.39 1jdd n ALA 9 Ca 0.21 0.24 -0.41 0.00 0.00 0.00 0.00 53.44 53.48 1jdd n ALA 9 Cb 0.87 -1.71 -0.05 0.00 0.00 0.00 0.00 19.45 18.57 1jdd n ALA 9 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1jdd s VAL 10 N -2.62 4.57 -1.06 0.00 1.01 -1.26 -4.68 120.40 116.35 1jdd s VAL 10 Ca 0.00 1.94 -0.17 0.00 0.00 0.00 0.00 61.98 63.75 1jdd s VAL 10 Cb 0.00 -4.26 -0.08 0.00 0.00 0.00 0.00 36.38 32.04 1jdd s VAL 10 CO 0.00 0.33 2.09 0.54 0.00 0.00 0.00 175.10 178.06 1jdd n ARG 11 N 2.80 2.12 -0.24 2.72 1.74 -0.56 -1.35 116.66 123.90 1jdd n ARG 11 Ca 0.01 -2.10 0.11 0.00 -0.77 0.00 0.00 57.85 55.09 1jdd n ARG 11 Cb 0.49 -3.01 0.27 0.00 -1.02 0.00 0.00 32.46 29.19 1jdd n ARG 11 CO 0.00 0.00 0.00 2.48 -1.52 0.00 0.00 177.63 178.59 1jdd n TYR 12 N 6.57 0.62 -3.80 -1.55 4.11 -1.26 -2.87 117.16 118.99 1jdd n TYR 12 Ca 0.51 -0.31 -0.32 0.00 -0.00 0.00 0.00 57.90 57.78 1jdd n TYR 12 Cb 0.37 0.00 0.02 0.00 -0.00 0.00 0.00 39.34 39.73 1jdd n TYR 12 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.86 178.44 1jdd n HIS 13 N 1.21 -1.87 0.00 -3.48 -0.00 -1.03 -1.39 115.22 108.66 1jdd n HIS 13 Ca 0.19 0.49 0.00 0.00 -0.00 0.00 0.00 57.72 58.41 1jdd n HIS 13 Cb 0.52 -3.07 0.00 0.00 -0.00 0.00 0.00 29.99 27.43 1jdd n HIS 13 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1jdd n GLY 14 N -1.82 2.94 2.05 1.57 0.00 0.90 -4.20 105.19 106.63 1jdd n GLY 14 Ca -0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 1jdd n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jdd n GLY 15 N -1.02 0.48 0.25 -0.02 0.00 -0.48 -4.80 105.19 99.58 1jdd n GLY 15 Ca 0.00 -0.43 0.08 0.00 0.00 0.00 0.00 46.02 45.67 1jdd n GLY 15 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jdd n ASP 16 N 0.71 2.04 -4.86 1.61 5.68 -1.26 -0.87 116.55 119.60 1jdd n ASP 16 Ca -0.01 -3.21 -0.31 0.00 -0.50 0.00 0.00 54.79 50.77 1jdd n ASP 16 Cb 0.04 -0.44 -0.03 0.00 -1.14 0.00 0.00 41.12 39.55 1jdd n ASP 16 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1jdd s GLU 17 N -2.75 3.84 -0.15 0.11 0.41 -1.26 -5.00 118.70 113.89 1jdd s GLU 17 Ca 0.32 0.75 -0.03 0.00 -0.41 0.00 0.00 54.97 55.59 1jdd s GLU 17 Cb 0.29 -2.22 0.05 0.00 -1.78 0.00 0.00 34.13 30.47 1jdd s GLU 17 CO 0.00 -0.23 0.04 0.42 -0.49 0.00 0.00 175.26 175.00 1jdd s ILE 18 N -2.62 0.30 -0.04 -1.63 1.01 -1.26 -4.29 121.20 112.67 1jdd s ILE 18 Ca 0.56 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.97 1jdd s ILE 18 Cb -0.10 -0.75 -0.03 0.00 0.01 0.00 0.00 42.46 41.59 1jdd s ILE 18 CO 0.35 -0.09 0.01 -0.63 0.00 0.00 0.00 174.94 174.57 1jdd s ILE 19 N 1.97 4.26 -0.17 2.92 1.01 -0.76 -1.12 121.20 129.31 1jdd s ILE 19 Ca 0.02 -0.44 -0.07 0.00 0.00 0.00 0.00 60.65 60.15 1jdd s ILE 19 Cb -0.15 -2.86 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 1jdd s ILE 19 CO -0.07 0.47 0.05 -0.22 0.00 0.00 0.00 174.94 175.17 1jdd s LEU 20 N -1.30 3.77 -0.57 2.97 2.96 -0.44 -0.45 118.68 125.62 1jdd s LEU 20 Ca 0.17 0.08 -0.27 0.00 -0.22 0.00 0.00 54.13 53.89 1jdd s LEU 20 Cb -0.11 -1.94 0.03 0.00 0.50 0.00 0.00 46.19 44.67 1jdd s LEU 20 CO 0.07 0.20 1.13 -1.58 -1.32 0.00 0.00 176.35 174.86 1jdd s GLN 21 N 0.22 3.49 0.00 1.98 0.74 0.10 -1.08 119.66 125.11 1jdd s GLN 21 Ca 0.04 0.16 0.00 0.00 0.05 0.00 0.00 55.36 55.60 1jdd s GLN 21 Cb -0.12 -4.02 0.00 0.00 1.10 0.00 0.00 33.01 29.97 1jdd s GLN 21 CO 0.01 -1.62 0.18 0.41 -0.55 0.00 0.00 175.29 173.72 1jdd n GLY 22 N 5.06 0.45 3.65 2.59 0.00 0.17 -2.35 105.19 114.76 1jdd n GLY 22 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.07 1jdd n GLY 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1jdd s PHE 23 N -1.08 -0.13 0.33 1.61 -0.71 -1.26 -4.77 117.98 111.97 1jdd s PHE 23 Ca 0.00 -0.04 0.06 0.00 -1.04 0.00 0.00 56.93 55.91 1jdd s PHE 23 Cb 0.00 0.57 -0.06 0.00 -1.21 0.00 0.00 43.02 42.32 1jdd s PHE 23 CO 0.00 -0.50 -0.01 -3.38 -1.34 0.00 0.00 175.22 169.99 1jdd s HIS 24 N -2.83 2.13 0.29 3.49 -3.43 -1.26 -4.44 115.29 109.25 1jdd s HIS 24 Ca 0.12 -0.74 0.00 0.00 -0.80 0.00 0.00 55.06 53.63 1jdd s HIS 24 Cb 0.01 -1.34 0.51 0.00 -1.43 0.00 0.00 32.58 30.33 1jdd s HIS 24 CO -0.03 0.27 1.89 2.35 -2.00 0.00 0.00 174.74 177.23 1jdd h TRP 25 N 2.09 1.11 -0.36 0.38 2.91 -1.90 -3.17 115.95 117.02 1jdd h TRP 25 Ca -0.41 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.64 1jdd h TRP 25 Cb 1.24 -0.36 0.00 0.00 -0.51 0.00 0.00 29.16 29.53 1jdd h TRP 25 CO 0.67 0.55 0.00 0.09 -1.03 0.00 0.00 178.44 178.72 1jdd n ASN 26 N -4.52 2.92 -0.15 2.65 5.03 -1.26 -4.57 115.26 115.36 1jdd n ASN 26 Ca 0.15 -2.27 -0.04 0.00 0.87 0.00 0.00 54.58 53.30 1jdd n ASN 26 Cb 0.23 -0.45 0.05 0.00 -1.02 0.00 0.00 39.78 38.60 1jdd n ASN 26 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1jdd h VAL 27 N 2.27 0.86 0.00 2.41 2.07 -1.90 0.52 116.25 122.48 1jdd h VAL 27 Ca 0.00 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1jdd h VAL 27 Cb 0.95 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1jdd h VAL 27 CO 0.14 0.07 0.00 -0.37 0.02 0.00 0.00 177.57 177.43 1jdd h VAL 28 N 0.36 0.00 0.00 2.57 -1.51 -1.84 0.27 116.25 116.11 1jdd h VAL 28 Ca 0.22 -0.05 -0.37 0.00 -1.23 0.00 0.00 66.70 65.27 1jdd h VAL 28 Cb 0.22 0.96 -0.07 0.00 -2.13 0.00 0.00 31.29 30.27 1jdd h VAL 28 CO -0.22 0.00 -2.38 0.54 -1.23 0.00 0.00 177.57 174.28 1jdd n ARG 29 N -2.93 0.68 0.04 5.19 1.74 -0.38 -3.87 116.66 117.13 1jdd n ARG 29 Ca -0.02 0.06 -0.18 0.00 -0.77 0.00 0.00 57.85 56.93 1jdd n ARG 29 Cb 0.09 -1.53 -0.14 0.00 -1.02 0.00 0.00 32.46 29.85 1jdd n ARG 29 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1jdd h GLU 30 N 0.00 0.26 -2.10 5.56 4.39 -0.52 -3.40 114.58 118.77 1jdd h GLU 30 Ca -0.55 -0.44 -0.52 0.00 0.34 0.00 0.00 59.36 58.19 1jdd h GLU 30 Cb 2.13 0.16 -0.41 0.00 -0.10 0.00 0.00 28.75 30.53 1jdd h GLU 30 CO -0.00 1.11 -1.00 0.00 -1.16 0.00 0.00 179.01 177.95 1jdd n ALA 31 N -2.78 2.93 -1.67 3.43 0.00 0.92 -5.07 120.51 118.25 1jdd n ALA 31 Ca -0.22 -3.85 -0.48 0.00 0.00 0.00 0.00 53.44 48.89 1jdd n ALA 31 Cb 1.05 -0.86 -0.05 0.00 0.00 0.00 0.00 19.45 19.60 1jdd n ALA 31 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1jdd n PRO 32 N 0.21 2.07 -1.37 0.00 -0.04 -1.24 -1.39 135.00 133.24 1jdd n PRO 32 Ca 0.27 0.75 -0.14 0.00 -0.04 0.00 0.00 63.50 64.34 1jdd n PRO 32 Cb 0.56 -2.55 -0.06 0.00 -0.04 0.00 0.00 33.50 31.42 1jdd n PRO 32 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1jdd n ASN 33 N 4.91 -4.90 0.00 3.54 3.02 0.58 -4.77 115.26 117.65 1jdd n ASN 33 Ca 0.20 0.34 0.00 0.00 -0.03 0.00 0.00 54.58 55.09 1jdd n ASN 33 Cb 0.28 -4.01 0.00 0.00 -0.61 0.00 0.00 39.78 35.44 1jdd n ASN 33 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1jdd n ASP 34 N -0.93 0.17 -0.19 6.41 2.03 -0.49 -4.23 116.55 119.32 1jdd n ASP 34 Ca -0.14 -0.56 -0.00 0.00 0.52 0.00 0.00 54.79 54.60 1jdd n ASP 34 Cb 0.56 0.78 0.10 0.00 -0.72 0.00 0.00 41.12 41.84 1jdd n ASP 34 CO 0.00 0.00 0.00 -0.25 -1.92 0.00 0.00 177.20 175.03 1jdd h TRP 35 N 0.00 0.30 0.00 -0.67 2.91 -1.33 -1.10 115.95 116.06 1jdd h TRP 35 Ca 0.00 0.03 -0.04 0.00 1.13 0.00 0.00 58.89 60.01 1jdd h TRP 35 Cb 0.00 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 28.60 1jdd h TRP 35 CO 0.00 0.04 -0.19 1.88 -1.03 0.00 0.00 178.44 179.14 1jdd h TYR 36 N 0.33 0.00 -0.15 2.65 0.05 -1.75 -1.56 116.97 116.54 1jdd h TYR 36 Ca 0.30 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 59.02 1jdd h TYR 36 Cb 0.39 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.13 1jdd h TYR 36 CO -0.20 0.19 -0.13 -0.91 -1.05 0.00 0.00 178.16 176.06 1jdd h ASN 37 N 0.00 0.37 -0.22 3.88 2.35 -1.50 -2.49 115.58 117.97 1jdd h ASN 37 Ca -0.00 -0.47 0.05 0.00 -0.55 0.00 0.00 56.30 55.32 1jdd h ASN 37 Cb 0.43 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.66 1jdd h ASN 37 CO 0.03 0.76 -0.07 0.40 -1.65 0.00 0.00 177.43 176.90 1jdd h ILE 38 N -0.02 0.75 -0.34 2.81 2.04 -1.02 -1.84 117.51 119.89 1jdd h ILE 38 Ca 0.03 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.85 1jdd h ILE 38 Cb 0.65 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 1jdd h ILE 38 CO 0.03 0.00 0.05 -0.07 0.00 0.00 0.00 178.15 178.17 1jdd h LEU 39 N -0.03 0.46 -0.51 1.44 3.38 -1.31 -0.34 115.31 118.41 1jdd h LEU 39 Ca 0.11 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 1jdd h LEU 39 Cb 0.19 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1jdd h LEU 39 CO -0.24 0.49 0.11 -0.09 0.09 0.00 0.00 178.44 178.81 1jdd h ARG 40 N 0.49 0.82 -0.11 1.13 2.43 -1.02 -0.86 114.38 117.26 1jdd h ARG 40 Ca 0.11 -0.20 -0.15 0.00 -0.81 0.00 0.00 59.98 58.93 1jdd h ARG 40 Cb 0.24 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1jdd h ARG 40 CO 0.00 0.80 -0.56 1.96 -1.51 0.00 0.00 179.97 180.66 1jdd h GLN 41 N 0.71 0.34 -0.00 0.20 4.20 -0.91 -3.13 115.11 116.53 1jdd h GLN 41 Ca 0.16 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1jdd h GLN 41 Cb 0.35 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1jdd h GLN 41 CO 0.00 0.81 -0.28 1.04 -0.67 0.00 0.00 178.83 179.73 1jdd n GLN 42 N -3.92 0.43 -0.25 1.46 1.13 -0.18 -4.51 117.38 111.55 1jdd n GLN 42 Ca -0.03 -0.21 0.01 0.00 -1.94 0.00 0.00 57.00 54.83 1jdd n GLN 42 Cb 0.59 -1.50 0.08 0.00 0.11 0.00 0.00 30.24 29.53 1jdd n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1jdd h ALA 43 N 3.36 0.45 -0.67 -1.58 0.00 -1.10 0.18 119.26 119.91 1jdd h ALA 43 Ca 0.00 0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1jdd h ALA 43 Cb 0.47 0.56 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1jdd h ALA 43 CO 0.00 -0.42 0.34 0.00 0.00 0.00 0.00 179.25 179.17 1jdd h ALA 44 N 1.69 0.87 -0.03 0.00 0.00 -1.82 -2.32 119.26 117.64 1jdd h ALA 44 Ca 0.34 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1jdd h ALA 44 Cb 0.53 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1jdd h ALA 44 CO -0.74 0.41 0.02 1.15 0.00 0.00 0.00 179.25 180.09 1jdd h THR 45 N 0.93 1.10 -0.91 0.00 2.02 -1.45 -0.73 112.91 113.87 1jdd h THR 45 Ca 0.23 -0.28 0.04 0.00 0.77 0.00 0.00 66.41 67.18 1jdd h THR 45 Cb 0.09 1.22 -0.06 0.00 -1.74 0.00 0.00 68.15 67.66 1jdd h THR 45 CO -0.03 0.08 0.59 0.40 0.37 0.00 0.00 175.52 176.92 1jdd h ILE 46 N -0.06 1.12 -0.29 3.11 2.04 -0.57 -0.80 117.51 122.05 1jdd h ILE 46 Ca 0.01 -0.38 -0.07 0.00 1.00 0.00 0.00 64.86 65.42 1jdd h ILE 46 Cb 0.11 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.09 1jdd h ILE 46 CO -0.00 0.20 -0.08 0.00 0.00 0.00 0.00 178.15 178.27 1jdd h ALA 47 N 1.39 0.41 0.00 1.87 0.00 -1.24 -2.83 119.26 118.86 1jdd h ALA 47 Ca 0.37 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1jdd h ALA 47 Cb 0.06 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1jdd h ALA 47 CO -0.14 0.24 -0.13 0.00 0.00 0.00 0.00 179.25 179.22 1jdd h ALA 48 N 0.78 1.43 0.00 0.00 0.00 -0.73 -2.47 119.26 118.28 1jdd h ALA 48 Ca 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1jdd h ALA 48 Cb 0.57 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1jdd h ALA 48 CO 0.03 0.16 -0.07 -0.44 0.00 0.00 0.00 179.25 178.94 1jdd h ASP 49 N 0.00 0.00 0.00 0.00 3.32 -0.90 -3.47 116.42 115.37 1jdd h ASP 49 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1jdd h ASP 49 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1jdd h ASP 49 CO 0.02 0.07 0.00 0.61 -1.72 0.00 0.00 179.24 178.21 1jdd n GLY 50 N 0.36 1.06 3.74 2.75 0.00 -0.93 -4.82 105.19 107.35 1jdd n GLY 50 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1jdd n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jdd s PHE 51 N -2.00 3.68 -0.89 1.61 0.08 -1.17 -4.86 117.98 114.44 1jdd s PHE 51 Ca 0.00 1.70 0.20 0.00 0.12 0.00 0.00 56.93 58.94 1jdd s PHE 51 Cb 0.00 -3.20 -0.22 0.00 -0.57 0.00 0.00 43.02 39.02 1jdd s PHE 51 CO 0.00 -0.33 0.82 -1.13 -0.10 0.00 0.00 175.22 174.48 1jdd n SER 52 N 2.02 0.90 -3.54 1.36 3.41 -0.27 -4.63 113.62 112.88 1jdd n SER 52 Ca 0.01 -0.92 -0.16 0.00 -0.26 0.00 0.00 58.87 57.55 1jdd n SER 52 Cb 0.46 1.05 -0.05 0.00 -0.26 0.00 0.00 64.21 65.41 1jdd n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jdd s ALA 53 N -2.90 -1.56 -0.04 7.33 0.00 -1.15 -1.30 121.76 122.14 1jdd s ALA 53 Ca 0.07 0.93 0.03 0.00 0.00 0.00 0.00 51.96 52.98 1jdd s ALA 53 Cb 0.15 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.52 1jdd s ALA 53 CO 0.82 -0.46 -0.13 -1.50 0.00 0.00 0.00 175.76 174.48 1jdd s ILE 54 N -1.95 1.15 -0.52 0.00 2.07 -0.19 -1.33 121.20 120.43 1jdd s ILE 54 Ca -0.08 -0.54 -0.19 0.00 -1.41 0.00 0.00 60.65 58.43 1jdd s ILE 54 Cb -0.01 -1.01 0.06 0.00 0.13 0.00 0.00 42.46 41.64 1jdd s ILE 54 CO 0.03 0.35 0.65 0.86 -1.91 0.00 0.00 174.94 174.91 1jdd s TRP 55 N 0.28 3.03 0.51 3.50 -0.00 -0.24 0.17 118.94 126.19 1jdd s TRP 55 Ca -0.07 -0.59 -0.16 0.00 -0.00 0.00 0.00 56.10 55.28 1jdd s TRP 55 Cb -0.12 -3.62 -0.08 0.00 -0.00 0.00 0.00 33.47 29.65 1jdd s TRP 55 CO 0.02 -1.08 0.98 -1.64 -0.00 0.00 0.00 176.95 175.22 1jdd s MET 56 N 2.67 3.92 1.17 5.86 -1.94 0.36 -0.65 119.30 130.69 1jdd s MET 56 Ca 0.15 0.92 -0.16 0.00 -1.71 0.00 0.00 55.69 54.89 1jdd s MET 56 Cb -0.20 -2.15 0.27 0.00 2.01 0.00 0.00 34.83 34.76 1jdd s MET 56 CO 0.11 -0.27 1.06 -1.25 -0.01 0.00 0.00 175.02 174.66 1jdd s PRO 57 N -4.11 -0.93 0.06 2.03 0.04 -1.26 -3.02 135.00 127.81 1jdd s PRO 57 Ca 0.58 0.35 -0.30 0.00 0.04 0.00 0.00 61.00 61.67 1jdd s PRO 57 Cb -0.10 -1.59 -0.09 0.00 0.04 0.00 0.00 34.50 32.76 1jdd s PRO 57 CO 0.32 -3.61 1.77 0.08 0.04 0.00 0.00 177.00 175.61 1jdd s VAL 58 N -2.75 2.98 0.22 -0.36 1.01 -1.26 -4.18 120.40 116.06 1jdd s VAL 58 Ca 0.68 0.29 0.13 0.00 0.00 0.00 0.00 61.98 63.09 1jdd s VAL 58 Cb -0.17 -3.19 0.02 0.00 0.00 0.00 0.00 36.38 33.04 1jdd s VAL 58 CO 0.59 -0.01 1.63 1.55 0.00 0.00 0.00 175.10 178.86 1jdd h PRO 59 N 9.11 0.00 -6.32 2.72 0.13 -1.90 -3.45 132.00 132.29 1jdd h PRO 59 Ca -0.45 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.14 1jdd h PRO 59 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1jdd h PRO 59 CO 0.94 0.56 1.03 -1.58 -0.23 0.00 0.00 178.00 178.72 1jdd s TRP 60 N -3.55 2.20 0.30 1.56 0.51 -1.26 -4.35 118.94 114.35 1jdd s TRP 60 Ca -0.01 0.31 -0.29 0.00 -2.12 0.00 0.00 56.10 54.00 1jdd s TRP 60 Cb 0.12 -3.89 -0.13 0.00 -0.81 0.00 0.00 33.47 28.76 1jdd s TRP 60 CO 0.74 -3.65 1.21 2.89 -0.51 0.00 0.00 176.95 177.64 1jdd n ARG 61 N 6.55 1.81 -3.72 4.98 1.85 -0.07 -4.77 116.66 123.29 1jdd n ARG 61 Ca 0.16 0.64 -0.26 0.00 -1.00 0.00 0.00 57.85 57.39 1jdd n ARG 61 Cb 0.42 -2.16 -0.17 0.00 -1.05 0.00 0.00 32.46 29.51 1jdd n ARG 61 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1jdd s ASP 62 N -0.27 2.52 -0.20 2.89 -1.08 -1.26 -2.56 116.67 116.71 1jdd s ASP 62 Ca 0.60 -0.62 0.14 0.00 -0.52 0.00 0.00 52.55 52.14 1jdd s ASP 62 Cb -0.64 -0.50 0.43 0.00 -1.46 0.00 0.00 42.92 40.75 1jdd s ASP 62 CO 0.59 -0.29 1.30 0.49 0.52 0.00 0.00 175.17 177.78 1jdd n PHE 63 N 5.11 0.45 -1.21 -5.34 3.72 -1.26 -4.00 117.46 114.92 1jdd n PHE 63 Ca -0.08 -1.29 -0.30 0.00 -0.05 0.00 0.00 57.45 55.74 1jdd n PHE 63 Cb 0.48 -0.30 0.14 0.00 -0.94 0.00 0.00 39.48 38.87 1jdd n PHE 63 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1jdd s SER 64 N -2.74 3.33 -0.17 4.37 1.04 -1.26 -4.85 113.70 113.43 1jdd s SER 64 Ca 0.39 1.41 -0.17 0.00 0.48 0.00 0.00 55.95 58.06 1jdd s SER 64 Cb 0.35 -2.09 0.05 0.00 0.10 0.00 0.00 66.02 64.43 1jdd s SER 64 CO 0.00 -2.72 0.49 -0.55 0.98 0.00 0.00 173.24 171.44 1jdd s SER 65 N -3.45 -0.50 0.10 7.02 0.15 -1.26 -2.94 113.70 112.82 1jdd s SER 65 Ca 0.64 0.92 -0.18 0.00 0.70 0.00 0.00 55.95 58.03 1jdd s SER 65 Cb -0.18 0.94 0.04 0.00 -1.71 0.00 0.00 66.02 65.11 1jdd s SER 65 CO 0.57 -0.21 0.43 -1.66 1.20 0.00 0.00 173.24 173.57 1jdd s TRP 66 N 0.10 -0.27 -0.27 3.44 1.48 -0.95 -4.94 118.94 117.53 1jdd s TRP 66 Ca -0.01 0.06 -0.19 0.00 -1.06 0.00 0.00 56.10 54.90 1jdd s TRP 66 Cb -0.03 0.28 0.08 0.00 -1.16 0.00 0.00 33.47 32.63 1jdd s TRP 66 CO 0.01 -0.68 0.69 0.45 -4.06 0.00 0.00 176.95 173.37 1jdd s SER 67 N -2.54 -0.88 -0.39 -2.66 0.15 -1.26 -2.31 113.70 103.81 1jdd s SER 67 Ca 0.00 1.48 0.03 0.00 0.70 0.00 0.00 55.95 58.16 1jdd s SER 67 Cb 0.01 1.40 0.16 0.00 -1.71 0.00 0.00 66.02 65.88 1jdd s SER 67 CO -0.09 -0.24 0.35 1.51 1.20 0.00 0.00 173.24 175.97 1jdd s ASP 68 N 1.25 1.53 0.62 5.45 1.47 0.26 -5.01 116.67 122.24 1jdd s ASP 68 Ca -0.07 -2.38 0.00 0.00 1.18 0.00 0.00 52.55 51.28 1jdd s ASP 68 Cb -0.05 0.00 0.00 0.00 -0.34 0.00 0.00 42.92 42.53 1jdd s ASP 68 CO -0.13 -0.22 0.00 0.61 0.68 0.00 0.00 175.17 176.11 1jdd n GLY 69 N 3.49 1.70 0.15 2.12 0.00 -1.26 -3.59 105.19 107.80 1jdd n GLY 69 Ca 0.20 -0.73 0.02 0.00 0.00 0.00 0.00 46.02 45.50 1jdd n GLY 69 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1jdd h SER 70 N 0.00 0.00 -3.36 1.61 4.64 -2.03 -3.45 113.55 110.96 1jdd h SER 70 Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 1jdd h SER 70 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.02 1jdd h SER 70 CO 0.00 0.53 0.16 -0.54 -0.87 0.00 0.00 176.83 176.12 1jdd s LYS 71 N -3.49 4.34 0.07 4.77 1.02 -1.24 -5.02 119.74 120.20 1jdd s LYS 71 Ca -0.00 0.83 0.01 0.00 0.02 0.00 0.00 55.97 56.83 1jdd s LYS 71 Cb 0.11 -3.51 -0.04 0.00 -0.52 0.00 0.00 37.83 33.87 1jdd s LYS 71 CO 0.73 -0.10 -0.05 -1.54 -0.92 0.00 0.00 175.35 173.47 1jdd s SER 72 N 0.98 0.83 0.03 2.83 1.04 -1.26 -0.58 113.70 117.57 1jdd s SER 72 Ca 0.35 -0.98 -0.02 0.00 0.48 0.00 0.00 55.95 55.78 1jdd s SER 72 Cb -0.17 0.14 0.01 0.00 0.10 0.00 0.00 66.02 66.10 1jdd s SER 72 CO 0.14 -0.51 0.09 0.61 0.98 0.00 0.00 173.24 174.56 1jdd n GLY 73 N 0.11 1.54 0.00 7.32 0.00 -0.98 -5.00 105.19 108.18 1jdd n GLY 73 Ca -0.14 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1jdd n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jdd n GLY 74 N -0.06 3.40 1.65 -0.02 0.00 -1.26 -2.23 105.19 106.67 1jdd n GLY 74 Ca -0.01 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.27 1jdd n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jdd n GLY 75 N -1.00 0.68 0.01 -0.02 0.00 -1.15 -4.87 105.19 98.84 1jdd n GLY 75 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 1jdd n GLY 75 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jdd n GLU 76 N -2.59 0.04 0.00 1.61 4.71 -1.26 -4.59 120.64 118.56 1jdd n GLU 76 Ca 0.00 0.03 0.00 0.00 -0.01 0.00 0.00 57.16 57.18 1jdd n GLU 76 Cb 0.00 -1.54 0.00 0.00 -1.01 0.00 0.00 31.44 28.89 1jdd n GLU 76 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1jdd n GLY 77 N 1.47 1.67 0.00 0.62 0.00 -1.26 -4.49 105.19 103.21 1jdd n GLY 77 Ca 0.07 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.23 1jdd n GLY 77 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1jdd n TYR 78 N -0.82 0.00 -2.95 1.61 4.01 -1.26 -3.68 117.16 114.07 1jdd n TYR 78 Ca 0.00 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.58 1jdd n TYR 78 Cb 0.00 -0.16 -0.01 0.00 -0.31 0.00 0.00 39.34 38.86 1jdd n TYR 78 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1jdd n PHE 79 N -1.16 0.89 -1.19 -0.72 7.35 -1.26 -4.88 117.46 116.48 1jdd n PHE 79 Ca 0.17 -3.43 -0.31 0.00 -0.76 0.00 0.00 57.45 53.13 1jdd n PHE 79 Cb 0.18 -0.40 0.10 0.00 0.35 0.00 0.00 39.48 39.71 1jdd n PHE 79 CO 0.00 0.00 0.00 1.67 -0.76 0.00 0.00 176.76 177.67 1jdd s TRP 80 N -2.79 2.37 -0.02 -5.13 1.48 -1.24 -4.28 118.94 109.33 1jdd s TRP 80 Ca 0.36 1.61 0.01 0.00 -1.06 0.00 0.00 56.10 57.01 1jdd s TRP 80 Cb 0.39 -3.13 -0.01 0.00 -1.16 0.00 0.00 33.47 29.56 1jdd s TRP 80 CO -0.04 -2.02 0.03 -2.39 -4.06 0.00 0.00 176.95 168.46 1jdd n HIS 81 N -3.56 0.00 -4.00 1.66 1.44 -1.06 0.43 115.22 110.13 1jdd n HIS 81 Ca 0.10 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.71 1jdd n HIS 81 Cb 0.53 -0.01 -0.07 0.00 0.12 0.00 0.00 29.99 30.56 1jdd n HIS 81 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1jdd s ASP 82 N -1.57 -0.02 0.00 4.39 1.01 -1.26 -4.30 116.67 114.93 1jdd s ASP 82 Ca 0.00 -0.96 0.23 0.00 0.71 0.00 0.00 52.55 52.54 1jdd s ASP 82 Cb 0.01 0.50 0.80 0.00 1.01 0.00 0.00 42.92 45.24 1jdd s ASP 82 CO 0.03 -1.01 1.59 0.49 0.21 0.00 0.00 175.17 176.49 1jdd n PHE 83 N -0.31 0.15 -1.78 4.23 3.72 -1.26 -3.73 117.46 118.49 1jdd n PHE 83 Ca -0.03 -0.08 -0.42 0.00 -0.05 0.00 0.00 57.45 56.87 1jdd n PHE 83 Cb 0.63 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.14 1jdd n PHE 83 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1jdd s ASN 84 N -1.72 6.43 0.00 4.37 3.84 -1.26 -4.71 114.94 121.88 1jdd s ASN 84 Ca 0.34 2.83 0.28 0.00 0.21 0.00 0.00 52.86 56.52 1jdd s ASN 84 Cb 0.19 -2.60 1.17 0.00 -0.55 0.00 0.00 41.25 39.46 1jdd s ASN 84 CO 0.29 -0.93 1.82 0.29 -2.79 0.00 0.00 177.10 175.78 1jdd n LYS 85 N 3.67 0.94 -2.75 0.43 4.76 -1.26 -0.89 118.16 123.06 1jdd n LYS 85 Ca 0.14 -0.40 -0.43 0.00 -2.87 0.00 0.00 58.31 54.75 1jdd n LYS 85 Cb 0.36 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 32.05 1jdd n LYS 85 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1jdd s ASN 86 N -2.34 6.77 0.00 4.39 -0.87 -1.26 -3.93 114.94 117.70 1jdd s ASN 86 Ca 0.32 -2.26 0.00 0.00 -1.57 0.00 0.00 52.86 49.35 1jdd s ASN 86 Cb 0.20 -2.49 0.00 0.00 -0.02 0.00 0.00 41.25 38.94 1jdd s ASN 86 CO 0.45 -1.12 0.00 0.61 -2.57 0.00 0.00 177.10 174.47 1jdd n GLY 87 N 5.45 6.75 0.00 0.66 0.00 -1.16 -4.79 105.19 112.10 1jdd n GLY 87 Ca 0.36 -2.01 0.14 0.00 0.00 0.00 0.00 46.02 44.51 1jdd n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jdd n ARG 88 N 0.00 0.20 0.05 1.61 5.12 -1.26 -3.28 116.66 119.10 1jdd n ARG 88 Ca 0.00 0.02 0.03 0.00 -1.93 0.00 0.00 57.85 55.96 1jdd n ARG 88 Cb 0.00 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 29.74 1jdd n ARG 88 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1jdd h TYR 89 N 0.00 0.00 0.00 -1.55 0.05 -1.90 0.17 116.97 113.74 1jdd h TYR 89 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1jdd h TYR 89 Cb 0.38 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.12 1jdd h TYR 89 CO 0.00 0.44 0.00 0.41 -1.05 0.00 0.00 178.16 177.96 1jdd n GLY 90 N 1.34 -0.45 3.85 3.88 0.00 -1.21 -2.02 105.19 110.59 1jdd n GLY 90 Ca -0.07 -1.70 -0.29 0.00 0.00 0.00 0.00 46.02 43.95 1jdd n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jdd s SER 91 N -0.42 4.45 0.21 1.61 1.04 -1.26 -2.98 113.70 116.34 1jdd s SER 91 Ca 0.00 1.00 -0.09 0.00 0.48 0.00 0.00 55.95 57.34 1jdd s SER 91 Cb 0.00 -1.63 0.16 0.00 0.10 0.00 0.00 66.02 64.65 1jdd s SER 91 CO 0.00 -1.96 1.83 -0.78 0.98 0.00 0.00 173.24 173.31 1jdd h ASP 92 N -1.09 0.96 -0.45 7.02 1.82 -1.96 -0.28 116.42 122.45 1jdd h ASP 92 Ca -0.47 -0.09 0.01 0.00 -0.39 0.00 0.00 57.03 56.09 1jdd h ASP 92 Cb 1.30 -0.24 -0.03 0.00 0.68 0.00 0.00 39.33 41.04 1jdd h ASP 92 CO 0.63 0.77 0.28 0.00 -1.61 0.00 0.00 179.24 179.31 1jdd h ALA 93 N 1.23 0.57 -0.32 -0.78 0.00 -1.93 -0.57 119.26 117.45 1jdd h ALA 93 Ca 0.27 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 1jdd h ALA 93 Cb 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1jdd h ALA 93 CO -0.05 -0.02 -0.09 1.96 0.00 0.00 0.00 179.25 181.05 1jdd h GLN 94 N 0.56 0.54 -0.01 0.00 4.20 -1.78 -1.10 115.11 117.51 1jdd h GLN 94 Ca 0.17 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 1jdd h GLN 94 Cb -0.02 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 1jdd h GLN 94 CO -0.06 0.63 0.00 1.25 -0.67 0.00 0.00 178.83 179.98 1jdd h LEU 95 N 0.50 0.02 -0.75 1.46 6.46 -0.50 0.84 115.31 123.34 1jdd h LEU 95 Ca 0.10 -0.19 0.03 0.00 -0.12 0.00 0.00 57.88 57.70 1jdd h LEU 95 Cb 0.46 -0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.34 1jdd h LEU 95 CO 0.03 0.20 0.47 0.03 -0.62 0.00 0.00 178.44 178.55 1jdd h ARG 96 N -0.17 0.90 -0.24 1.25 3.08 -0.80 0.11 114.38 118.51 1jdd h ARG 96 Ca 0.00 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.01 1jdd h ARG 96 Cb 0.19 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1jdd h ARG 96 CO -0.00 0.60 0.15 1.96 -1.07 0.00 0.00 179.97 181.61 1jdd h GLN 97 N 0.93 0.30 0.06 0.04 4.20 -0.75 -0.60 115.11 119.30 1jdd h GLN 97 Ca 0.30 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.99 1jdd h GLN 97 Cb 0.01 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 1jdd h GLN 97 CO -0.11 0.20 -0.04 0.00 -0.67 0.00 0.00 178.83 178.21 1jdd h ALA 98 N 1.10 -0.10 -0.08 3.87 0.00 -0.51 -1.18 119.26 122.37 1jdd h ALA 98 Ca 0.09 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1jdd h ALA 98 Cb -0.02 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1jdd h ALA 98 CO -0.03 -0.56 -0.14 0.00 0.00 0.00 0.00 179.25 178.51 1jdd h ALA 99 N 0.83 1.63 -0.11 0.00 0.00 -0.81 -1.04 119.26 119.75 1jdd h ALA 99 Ca -0.00 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1jdd h ALA 99 Cb 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1jdd h ALA 99 CO -0.00 0.28 -0.33 1.03 0.00 0.00 0.00 179.25 180.23 1jdd h SER 100 N 0.11 0.48 0.21 0.00 0.87 -0.79 -2.26 113.55 112.18 1jdd h SER 100 Ca 0.02 -0.60 -0.01 0.00 -1.23 0.00 0.00 61.79 59.98 1jdd h SER 100 Cb 0.33 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1jdd h SER 100 CO 0.02 1.00 -0.10 0.00 -0.53 0.00 0.00 176.83 177.21 1jdd h ALA 101 N 0.50 -0.29 -0.22 6.23 0.00 -0.94 0.19 119.26 124.73 1jdd h ALA 101 Ca -0.01 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.87 1jdd h ALA 101 Cb 0.95 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 1jdd h ALA 101 CO 0.07 -0.64 -0.07 -0.07 0.00 0.00 0.00 179.25 178.54 1jdd h LEU 102 N -0.34 -0.26 -1.17 0.00 -0.00 -1.27 -1.24 115.31 111.03 1jdd h LEU 102 Ca -0.03 0.07 -0.06 0.00 -0.00 0.00 0.00 57.88 57.86 1jdd h LEU 102 Cb 0.26 0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 41.07 1jdd h LEU 102 CO 0.05 -0.10 -0.10 1.23 -0.00 0.00 0.00 178.44 179.52 1jdd h GLY 103 N -0.03 0.48 1.04 0.83 0.00 -1.34 0.65 103.07 104.71 1jdd h GLY 103 Ca 0.11 -0.32 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 1jdd h GLY 103 CO -0.25 0.30 0.01 -1.33 0.00 0.00 0.00 176.54 175.27 1jdd h GLY 104 N 0.88 1.03 0.77 4.60 0.00 -0.39 -2.64 103.07 107.31 1jdd h GLY 104 Ca 0.08 -0.75 0.00 0.00 0.00 0.00 0.00 47.33 46.66 1jdd h GLY 104 CO 0.02 0.69 0.00 0.00 0.00 0.00 0.00 176.54 177.26 1jdd n ALA 105 N -2.45 2.52 -0.66 3.60 0.00 -0.52 -4.88 120.51 118.12 1jdd n ALA 105 Ca 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1jdd n ALA 105 Cb 0.32 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.42 1jdd n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jdd n GLY 106 N 0.69 0.66 3.57 0.00 0.00 -1.00 -4.81 105.19 104.31 1jdd n GLY 106 Ca 0.16 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1jdd n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jdd s VAL 107 N -2.00 5.15 0.55 1.61 1.01 0.19 -4.84 120.40 122.07 1jdd s VAL 107 Ca 0.00 0.32 -0.21 0.00 0.00 0.00 0.00 61.98 62.09 1jdd s VAL 107 Cb 0.00 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 1jdd s VAL 107 CO 0.00 -0.00 1.28 -0.54 0.00 0.00 0.00 175.10 175.83 1jdd s LYS 108 N 2.10 3.14 -0.21 2.72 1.02 -0.42 -3.35 119.74 124.75 1jdd s LYS 108 Ca 0.14 2.02 -0.04 0.00 0.02 0.00 0.00 55.97 58.11 1jdd s LYS 108 Cb -0.16 -2.15 -0.02 0.00 -0.52 0.00 0.00 37.83 34.98 1jdd s LYS 108 CO 0.11 -1.12 -0.03 0.14 -0.92 0.00 0.00 175.35 173.53 1jdd s VAL 109 N -1.43 3.59 -0.21 3.17 -7.23 -1.26 -1.02 120.40 116.01 1jdd s VAL 109 Ca 0.73 -0.43 -0.06 0.00 -1.81 0.00 0.00 61.98 60.41 1jdd s VAL 109 Cb -0.35 -2.62 -0.03 0.00 0.56 0.00 0.00 36.38 33.93 1jdd s VAL 109 CO 0.40 0.43 0.04 -0.76 -0.31 0.00 0.00 175.10 174.91 1jdd s LEU 110 N 1.22 3.47 -0.01 1.32 1.43 0.13 0.22 118.68 126.45 1jdd s LEU 110 Ca 0.03 -0.13 -0.06 0.00 -1.03 0.00 0.00 54.13 52.94 1jdd s LEU 110 Cb -0.14 -1.90 -0.05 0.00 0.03 0.00 0.00 46.19 44.13 1jdd s LEU 110 CO -0.00 0.06 0.24 -0.31 0.23 0.00 0.00 176.35 176.57 1jdd s TYR 111 N 1.03 3.58 -0.16 0.29 2.02 -0.35 -0.49 117.35 123.28 1jdd s TYR 111 Ca 0.03 0.56 -0.27 0.00 -0.37 0.00 0.00 57.07 57.02 1jdd s TYR 111 Cb -0.14 -1.97 -0.01 0.00 -0.40 0.00 0.00 41.96 39.43 1jdd s TYR 111 CO 0.03 0.64 0.90 0.34 -1.57 0.00 0.00 175.55 175.89 1jdd s ASP 112 N -1.60 7.05 -0.04 2.29 -1.08 -1.17 -0.22 116.67 121.90 1jdd s ASP 112 Ca 0.25 1.30 0.05 0.00 -0.52 0.00 0.00 52.55 53.63 1jdd s ASP 112 Cb -0.13 -2.49 -0.01 0.00 -1.46 0.00 0.00 42.92 38.83 1jdd s ASP 112 CO 0.14 -0.44 -0.21 0.68 0.52 0.00 0.00 175.17 175.86 1jdd s VAL 113 N 2.24 1.72 -0.70 1.11 -7.23 -0.55 -4.16 120.40 112.82 1jdd s VAL 113 Ca 0.42 -0.89 0.03 0.00 -1.81 0.00 0.00 61.98 59.73 1jdd s VAL 113 Cb -0.17 -1.45 0.17 0.00 0.56 0.00 0.00 36.38 35.49 1jdd s VAL 113 CO 0.13 0.49 0.50 -0.69 -0.31 0.00 0.00 175.10 175.21 1jdd s VAL 114 N -0.16 3.12 -0.71 1.32 1.01 -1.26 -1.39 120.40 122.34 1jdd s VAL 114 Ca -0.01 -3.98 0.26 0.00 0.00 0.00 0.00 61.98 58.25 1jdd s VAL 114 Cb -0.12 -3.04 0.29 0.00 0.00 0.00 0.00 36.38 33.51 1jdd s VAL 114 CO 0.02 -0.98 1.77 -0.81 0.00 0.00 0.00 175.10 175.11 1jdd n PRO 115 N 2.30 0.26 -0.00 2.72 -0.05 -1.26 -4.17 135.00 134.80 1jdd n PRO 115 Ca 0.17 0.23 -0.07 0.00 -0.05 0.00 0.00 63.50 63.78 1jdd n PRO 115 Cb 0.35 -1.82 0.11 0.00 -0.05 0.00 0.00 33.50 32.09 1jdd n PRO 115 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 175.50 174.48 1jdd h ASN 116 N 0.00 0.59 -5.12 3.54 -1.24 -1.89 -3.44 115.58 108.02 1jdd h ASN 116 Ca 0.00 -0.26 -0.04 0.00 0.71 0.00 0.00 56.30 56.71 1jdd h ASN 116 Cb 0.72 -0.16 -0.04 0.00 0.73 0.00 0.00 38.32 39.57 1jdd h ASN 116 CO 0.00 0.92 0.13 -1.38 -1.29 0.00 0.00 177.43 175.81 1jdd s HIS 117 N -4.25 0.22 0.16 0.67 -3.43 -1.26 -2.13 115.29 105.28 1jdd s HIS 117 Ca -0.07 -0.72 -0.21 0.00 -0.80 0.00 0.00 55.06 53.26 1jdd s HIS 117 Cb 0.12 0.56 0.05 0.00 -1.43 0.00 0.00 32.58 31.89 1jdd s HIS 117 CO 0.82 -1.33 0.55 0.00 -2.00 0.00 0.00 174.74 172.78 1jdd s MET 118 N -3.12 1.27 -1.12 -0.38 0.23 -1.13 -4.83 119.30 110.21 1jdd s MET 118 Ca 0.18 -0.60 -0.20 0.00 -1.03 0.00 0.00 55.69 54.04 1jdd s MET 118 Cb -0.04 0.55 -0.06 0.00 -1.53 0.00 0.00 34.83 33.76 1jdd s MET 118 CO 0.11 -0.54 1.96 -1.71 -2.03 0.00 0.00 175.02 172.81 1jdd n ASN 119 N -0.34 3.39 -0.27 -1.18 4.05 0.17 -4.77 115.26 116.31 1jdd n ASN 119 Ca -0.15 -2.76 0.08 0.00 0.45 0.00 0.00 54.58 52.20 1jdd n ASN 119 Cb 0.64 -1.50 0.22 0.00 1.23 0.00 0.00 39.78 40.37 1jdd n ASN 119 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 177.26 174.12 1jdd h ARG 120 N 7.86 0.30 -0.00 1.20 2.43 -1.90 -1.95 114.38 122.33 1jdd h ARG 120 Ca 0.41 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 1jdd h ARG 120 Cb 0.76 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 1jdd h ARG 120 CO 1.67 0.20 -0.01 0.41 -1.51 0.00 0.00 179.97 180.73 1jdd n GLY 121 N -1.35 -0.91 3.66 2.80 0.00 -1.26 -4.86 105.19 103.26 1jdd n GLY 121 Ca 0.17 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1jdd n GLY 121 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jdd s TYR 122 N -2.13 1.85 0.15 1.61 5.04 -0.73 -4.89 117.35 118.25 1jdd s TYR 122 Ca 0.42 0.12 -0.16 0.00 -2.44 0.00 0.00 57.07 55.01 1jdd s TYR 122 Cb 0.21 -3.97 0.01 0.00 0.35 0.00 0.00 41.96 38.56 1jdd s TYR 122 CO 0.39 -4.08 1.77 -1.00 -1.34 0.00 0.00 175.55 171.29 1jdd h PRO 123 N 9.92 0.56 -4.49 4.97 0.13 -1.89 -3.38 132.00 137.82 1jdd h PRO 123 Ca -0.41 -0.06 -0.70 0.00 -0.87 0.00 0.00 66.00 63.97 1jdd h PRO 123 Cb 1.19 -0.12 -0.33 0.00 0.13 0.00 0.00 31.00 31.87 1jdd h PRO 123 CO 0.96 0.44 -0.54 0.34 -0.23 0.00 0.00 178.00 178.96 1jdd s ASP 124 N -5.67 5.31 0.09 1.44 2.15 -1.26 -5.05 116.67 113.68 1jdd s ASP 124 Ca -0.13 -1.88 -0.13 0.00 0.43 0.00 0.00 52.55 50.84 1jdd s ASP 124 Cb 0.11 -1.85 0.02 0.00 -0.30 0.00 0.00 42.92 40.89 1jdd s ASP 124 CO 0.73 -0.53 0.30 -1.59 -0.17 0.00 0.00 175.17 173.92 1jdd s LYS 125 N 1.21 0.93 0.06 4.34 -2.85 -1.26 -5.02 119.74 117.14 1jdd s LYS 125 Ca 0.06 -0.75 0.26 0.00 -1.00 0.00 0.00 55.97 54.54 1jdd s LYS 125 Cb -0.23 0.40 0.72 0.00 -2.06 0.00 0.00 37.83 36.66 1jdd s LYS 125 CO -0.03 -0.33 1.59 0.39 0.10 0.00 0.00 175.35 177.08 1jdd n GLU 126 N 0.02 0.11 -3.98 1.78 1.02 -1.26 -4.73 120.64 113.60 1jdd n GLU 126 Ca -0.16 0.05 -0.34 0.00 -0.02 0.00 0.00 57.16 56.69 1jdd n GLU 126 Cb 0.62 -1.59 -0.15 0.00 -0.02 0.00 0.00 31.44 30.31 1jdd n GLU 126 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1jdd s ILE 127 N -3.05 2.86 -0.16 -3.67 1.01 -1.26 -5.06 121.20 111.86 1jdd s ILE 127 Ca 0.11 -0.84 -0.01 0.00 0.00 0.00 0.00 60.65 59.91 1jdd s ILE 127 Cb 0.16 -2.35 0.04 0.00 0.01 0.00 0.00 42.46 40.32 1jdd s ILE 127 CO 0.64 0.34 -0.05 0.20 0.00 0.00 0.00 174.94 176.07 1jdd s ASN 128 N 1.37 2.73 -0.27 3.58 -0.87 -1.26 -4.95 114.94 115.26 1jdd s ASN 128 Ca 0.03 -0.61 -0.04 0.00 -1.57 0.00 0.00 52.86 50.67 1jdd s ASN 128 Cb -0.15 -0.87 0.02 0.00 -0.02 0.00 0.00 41.25 40.23 1jdd s ASN 128 CO -0.06 -0.18 -0.00 -0.76 -2.57 0.00 0.00 177.10 173.52 1jdd s LEU 129 N 1.66 3.47 0.69 0.60 1.43 -1.26 -5.11 118.68 120.17 1jdd s LEU 129 Ca 0.01 -0.82 -0.12 0.00 -1.03 0.00 0.00 54.13 52.17 1jdd s LEU 129 Cb -0.15 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.33 1jdd s LEU 129 CO -0.08 -0.16 1.07 -2.16 0.23 0.00 0.00 176.35 175.25 1jdd s PRO 130 N 1.39 2.89 0.57 1.29 0.04 -1.26 -5.03 135.00 134.89 1jdd s PRO 130 Ca 0.01 1.07 -0.15 0.00 0.04 0.00 0.00 61.00 61.97 1jdd s PRO 130 Cb -0.17 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 1jdd s PRO 130 CO -0.02 -1.14 1.02 0.00 0.04 0.00 0.00 177.00 176.90 1jdd s ALA 131 N -2.86 2.97 0.00 8.56 0.00 -1.26 -4.18 121.76 125.00 1jdd s ALA 131 Ca 0.60 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.72 1jdd s ALA 131 Cb -0.15 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.83 1jdd s ALA 131 CO 0.51 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 176.14 1jdd n GLY 132 N -1.75 0.64 0.18 0.00 0.00 -1.26 -4.91 105.19 98.09 1jdd n GLY 132 Ca 0.07 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.11 1jdd n GLY 132 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jdd n GLN 133 N -2.69 0.45 -0.83 1.61 6.02 -1.26 -4.98 117.38 115.70 1jdd n GLN 133 Ca 0.00 -0.99 0.00 0.00 -0.01 0.00 0.00 57.00 56.00 1jdd n GLN 133 Cb 0.00 -1.08 0.00 0.00 1.02 0.00 0.00 30.24 30.18 1jdd n GLN 133 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jdd n GLY 134 N 0.12 0.58 0.11 1.08 0.00 -1.26 -4.97 105.19 100.85 1jdd n GLY 134 Ca 0.03 -0.79 -0.01 0.00 0.00 0.00 0.00 46.02 45.25 1jdd n GLY 134 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1jdd h PHE 135 N 0.00 0.00 -3.44 1.61 0.04 -1.91 -3.43 116.94 109.81 1jdd h PHE 135 Ca 0.00 0.00 -0.66 0.00 2.80 0.00 0.00 57.97 60.11 1jdd h PHE 135 Cb 0.10 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 38.10 1jdd h PHE 135 CO 0.00 0.65 -0.72 -1.58 -0.60 0.00 0.00 178.31 176.06 1jdd s TRP 136 N -2.88 2.77 0.20 -0.55 0.52 -1.26 -0.60 118.94 117.14 1jdd s TRP 136 Ca 0.01 -0.14 -0.11 0.00 0.02 0.00 0.00 56.10 55.88 1jdd s TRP 136 Cb 0.08 -1.43 0.13 0.00 -1.15 0.00 0.00 33.47 31.10 1jdd s TRP 136 CO 0.78 0.45 1.86 -0.09 0.02 0.00 0.00 176.95 179.97 1jdd h ARG 137 N 3.46 0.92 0.00 4.98 2.43 -0.84 -1.68 114.38 123.66 1jdd h ARG 137 Ca -0.48 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.62 1jdd h ARG 137 Cb 1.17 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1jdd h ARG 137 CO 0.54 0.62 0.00 0.27 -1.51 0.00 0.00 179.97 179.89 1jdd n ASN 138 N -4.59 0.00 0.03 -3.80 0.23 -1.26 -1.75 115.26 104.13 1jdd n ASN 138 Ca 0.06 -1.42 0.12 0.00 -0.53 0.00 0.00 54.58 52.81 1jdd n ASN 138 Cb 0.03 0.00 0.49 0.00 -2.08 0.00 0.00 39.78 38.22 1jdd n ASN 138 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1jdd n ASP 139 N -0.65 0.23 -4.71 0.53 8.00 -0.63 -4.77 116.55 114.54 1jdd n ASP 139 Ca 0.06 0.53 -0.30 0.00 0.71 0.00 0.00 54.79 55.79 1jdd n ASP 139 Cb 0.03 -0.59 -0.09 0.00 -0.02 0.00 0.00 41.12 40.45 1jdd n ASP 139 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jdd s ALA 141 N -2.79 3.49 -0.61 0.00 0.00 -1.26 -4.98 121.76 115.61 1jdd s ALA 141 Ca 0.20 0.63 0.02 0.00 0.00 0.00 0.00 51.96 52.82 1jdd s ALA 141 Cb 0.05 -3.52 0.15 0.00 0.00 0.00 0.00 23.12 19.80 1jdd s ALA 141 CO 0.11 -0.76 0.38 0.34 0.00 0.00 0.00 175.76 175.83 1jdd s ASP 142 N 1.48 4.73 0.03 0.00 2.15 -1.26 -4.55 116.67 119.24 1jdd s ASP 142 Ca 0.56 -3.22 -0.20 0.00 0.43 0.00 0.00 52.55 50.13 1jdd s ASP 142 Cb -0.25 -1.70 -0.11 0.00 -0.30 0.00 0.00 42.92 40.56 1jdd s ASP 142 CO 0.22 -0.22 1.23 -0.65 -0.17 0.00 0.00 175.17 175.58 1jdd h PRO 143 N 6.33 -0.69 0.00 4.34 0.11 -1.93 -3.48 132.00 136.68 1jdd h PRO 143 Ca -0.00 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1jdd h PRO 143 Cb 0.87 0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1jdd h PRO 143 CO 0.71 -0.46 0.00 0.41 -0.21 0.00 0.00 178.00 178.45 1jdd n GLY 144 N -1.18 3.63 3.56 -0.55 0.00 -1.26 -5.05 105.19 104.35 1jdd n GLY 144 Ca -0.09 -1.17 -0.40 0.00 0.00 0.00 0.00 46.02 44.36 1jdd n GLY 144 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1jdd n ASN 145 N -0.77 4.47 -3.54 1.61 4.05 -1.26 -4.72 115.26 115.10 1jdd n ASN 145 Ca 0.00 -2.87 -0.14 0.00 0.45 0.00 0.00 54.58 52.02 1jdd n ASN 145 Cb 0.00 -1.74 -0.05 0.00 1.23 0.00 0.00 39.78 39.22 1jdd n ASN 145 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 1jdd s TYR 146 N 5.82 -0.50 0.24 1.20 6.14 -1.26 -4.90 117.35 124.10 1jdd s TYR 146 Ca 0.57 0.59 -0.31 0.00 0.64 0.00 0.00 57.07 58.56 1jdd s TYR 146 Cb 0.03 0.39 -0.12 0.00 0.42 0.00 0.00 41.96 42.68 1jdd s TYR 146 CO 0.09 -0.67 1.58 -2.30 0.64 0.00 0.00 175.55 174.89 1jdd n PRO 147 N 0.39 2.50 -0.88 4.97 -0.02 -1.21 -4.76 135.00 136.00 1jdd n PRO 147 Ca -0.18 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1jdd n PRO 147 Cb 0.60 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 1jdd n PRO 147 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1jdd n ASN 148 N 2.76 1.31 0.06 2.55 6.94 0.02 -4.95 115.26 123.94 1jdd n ASN 148 Ca 0.12 -0.53 0.13 0.00 -0.02 0.00 0.00 54.58 54.28 1jdd n ASN 148 Cb 0.34 0.00 0.47 0.00 -2.36 0.00 0.00 39.78 38.23 1jdd n ASN 148 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1jdd n ASP 149 N -0.90 0.48 -0.83 0.53 8.00 -1.26 -3.27 116.55 119.30 1jdd n ASP 149 Ca 0.00 0.49 0.07 0.00 0.71 0.00 0.00 54.79 56.06 1jdd n ASP 149 Cb 0.00 -0.59 0.21 0.00 -0.02 0.00 0.00 41.12 40.71 1jdd n ASP 149 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jdd s ASP 151 N -1.17 -0.56 -0.05 0.00 2.15 -1.20 -3.72 116.67 112.12 1jdd s ASP 151 Ca 0.32 0.34 0.01 0.00 0.43 0.00 0.00 52.55 53.65 1jdd s ASP 151 Cb 0.19 1.47 0.11 0.00 -0.30 0.00 0.00 42.92 44.38 1jdd s ASP 151 CO 0.17 -0.10 0.88 -0.90 -0.17 0.00 0.00 175.17 175.04 1jdd n ASP 152 N 5.46 2.31 -1.26 -0.34 5.68 -1.26 -0.80 116.55 126.34 1jdd n ASP 152 Ca -0.06 -2.17 -0.02 0.00 -0.50 0.00 0.00 54.79 52.04 1jdd n ASP 152 Cb 0.54 -0.54 -0.01 0.00 -1.14 0.00 0.00 41.12 39.97 1jdd n ASP 152 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jdd n GLY 153 N 0.17 3.42 3.71 6.12 0.00 -1.25 -4.09 105.19 113.28 1jdd n GLY 153 Ca 0.06 -1.54 -0.30 0.00 0.00 0.00 0.00 46.02 44.25 1jdd n GLY 153 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jdd s ASP 154 N -1.27 2.12 0.32 1.61 1.01 -0.75 -3.33 116.67 116.37 1jdd s ASP 154 Ca 0.04 0.71 0.08 0.00 0.71 0.00 0.00 52.55 54.09 1jdd s ASP 154 Cb 0.00 -1.04 -0.04 0.00 1.01 0.00 0.00 42.92 42.85 1jdd s ASP 154 CO 0.03 -3.39 0.15 0.00 0.21 0.00 0.00 175.17 172.17 1jdd s ARG 155 N -5.41 2.46 -0.41 8.23 1.70 -1.26 -4.36 118.95 119.90 1jdd s ARG 155 Ca 0.69 -1.45 -0.17 0.00 -0.47 0.00 0.00 55.73 54.32 1jdd s ARG 155 Cb -0.11 -2.25 0.02 0.00 -0.57 0.00 0.00 34.95 32.04 1jdd s ARG 155 CO 0.55 0.17 0.45 0.12 -1.08 0.00 0.00 175.30 175.51 1jdd s PHE 156 N -2.37 3.16 0.00 5.89 5.36 -1.26 -4.86 117.98 123.90 1jdd s PHE 156 Ca 0.37 -0.26 0.00 0.00 -0.96 0.00 0.00 56.93 56.08 1jdd s PHE 156 Cb -0.04 -2.91 0.00 0.00 -0.34 0.00 0.00 43.02 39.73 1jdd s PHE 156 CO 0.23 -0.67 0.00 -0.89 -1.46 0.00 0.00 175.22 172.43 1jdd n ILE 157 N 5.46 0.00 0.14 3.12 5.41 -1.26 -1.56 119.36 130.66 1jdd n ILE 157 Ca -0.07 0.00 -0.00 0.00 1.00 0.00 0.00 62.75 63.68 1jdd n ILE 157 Cb 0.48 0.00 0.26 0.00 -0.71 0.00 0.00 39.64 39.67 1jdd n ILE 157 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1jdd h GLY 158 N 0.00 0.11 0.00 7.39 0.00 -2.05 -3.48 103.07 105.05 1jdd h GLY 158 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1jdd h GLY 158 CO 0.00 0.09 0.00 0.61 0.00 0.00 0.00 176.54 177.24 1jdd n GLY 159 N -0.20 0.74 0.11 4.60 0.00 -0.60 -4.92 105.19 104.92 1jdd n GLY 159 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 1jdd n GLY 159 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jdd n ASP 160 N 0.00 0.66 -0.51 1.61 5.75 -1.26 -2.75 116.55 120.06 1jdd n ASP 160 Ca 0.00 0.62 0.06 0.00 -0.01 0.00 0.00 54.79 55.46 1jdd n ASP 160 Cb 0.00 -0.78 0.08 0.00 -1.03 0.00 0.00 41.12 39.39 1jdd n ASP 160 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jdd n ALA 161 N -1.76 2.39 -2.38 2.12 0.00 -1.26 -4.92 120.51 114.70 1jdd n ALA 161 Ca 0.03 -0.76 -0.42 0.00 0.00 0.00 0.00 53.44 52.30 1jdd n ALA 161 Cb 0.30 -0.39 -0.03 0.00 0.00 0.00 0.00 19.45 19.32 1jdd n ALA 161 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jdd s ASP 162 N -0.95 7.12 0.27 0.00 1.11 -1.11 -2.84 116.67 120.27 1jdd s ASP 162 Ca 0.16 2.01 -0.08 0.00 0.18 0.00 0.00 52.55 54.82 1jdd s ASP 162 Cb 0.10 -2.58 -0.06 0.00 1.07 0.00 0.00 42.92 41.44 1jdd s ASP 162 CO 0.14 -0.42 0.57 -0.76 1.18 0.00 0.00 175.17 175.88 1jdd s LEU 163 N 0.81 4.10 -1.13 1.23 1.43 -0.91 -0.38 118.68 123.83 1jdd s LEU 163 Ca 0.57 0.86 -0.17 0.00 -1.03 0.00 0.00 54.13 54.36 1jdd s LEU 163 Cb -0.29 -3.65 0.13 0.00 0.03 0.00 0.00 46.19 42.40 1jdd s LEU 163 CO 0.30 -0.15 1.42 0.21 0.23 0.00 0.00 176.35 178.37 1jdd s ASN 164 N -2.73 6.84 0.33 2.29 2.47 0.23 -4.57 114.94 119.80 1jdd s ASN 164 Ca 0.46 -2.46 0.24 0.00 0.42 0.00 0.00 52.86 51.52 1jdd s ASN 164 Cb -0.11 -2.46 1.18 0.00 -1.45 0.00 0.00 41.25 38.41 1jdd s ASN 164 CO 0.25 -1.01 1.72 0.71 -3.72 0.00 0.00 177.10 175.06 1jdd h THR 165 N 5.40 0.00 0.00 -5.21 1.35 -1.86 -0.29 112.91 112.31 1jdd h THR 165 Ca 0.29 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 66.07 1jdd h THR 165 Cb 0.93 0.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1jdd h THR 165 CO 1.28 0.00 -0.43 0.61 -0.25 0.00 0.00 175.52 176.72 1jdd n GLY 166 N -0.86 -1.33 3.71 5.82 0.00 -1.26 -3.13 105.19 108.14 1jdd n GLY 166 Ca -0.00 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 1jdd n GLY 166 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1jdd s HIS 167 N -3.04 3.02 0.38 1.61 2.46 -0.12 -4.81 115.29 114.79 1jdd s HIS 167 Ca 0.11 0.65 0.20 0.00 0.47 0.00 0.00 55.06 56.49 1jdd s HIS 167 Cb 0.17 -3.89 1.22 0.00 -0.13 0.00 0.00 32.58 29.95 1jdd s HIS 167 CO 0.67 -3.28 1.65 -1.35 -2.47 0.00 0.00 174.74 169.96 1jdd h PRO 168 N 6.97 0.21 0.03 2.88 0.11 -1.88 0.54 132.00 140.85 1jdd h PRO 168 Ca -0.42 -0.01 -0.22 0.00 0.11 0.00 0.00 66.00 65.46 1jdd h PRO 168 Cb 1.20 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1jdd h PRO 168 CO 0.91 0.14 -0.96 0.37 -0.21 0.00 0.00 178.00 178.24 1jdd h GLN 169 N 0.21 0.24 -0.02 1.05 4.15 -1.94 -2.06 115.11 116.74 1jdd h GLN 169 Ca 0.77 -0.29 -0.15 0.00 0.77 0.00 0.00 58.65 59.75 1jdd h GLN 169 Cb 1.99 0.09 0.01 0.00 0.21 0.00 0.00 27.48 29.78 1jdd h GLN 169 CO -0.56 1.04 -0.55 0.28 -1.93 0.00 0.00 178.83 177.10 1jdd h VAL 170 N 0.12 1.42 -0.22 2.39 2.07 -0.29 -2.53 116.25 119.20 1jdd h VAL 170 Ca -0.07 -2.01 0.05 0.00 0.82 0.00 0.00 66.70 65.50 1jdd h VAL 170 Cb 1.62 2.52 -0.05 0.00 -1.52 0.00 0.00 31.29 33.86 1jdd h VAL 170 CO 0.15 0.59 -0.12 0.22 0.02 0.00 0.00 177.57 178.43 1jdd h TYR 171 N -0.09 -0.28 -0.93 1.57 5.03 -0.88 -2.11 116.97 119.27 1jdd h TYR 171 Ca -0.06 0.03 0.03 0.00 2.58 0.00 0.00 58.73 61.30 1jdd h TYR 171 Cb 1.25 0.16 -0.05 0.00 1.55 0.00 0.00 36.73 39.64 1jdd h TYR 171 CO 0.14 -0.18 0.62 0.78 -1.32 0.00 0.00 178.16 178.20 1jdd h GLY 172 N -0.09 1.34 0.96 1.82 0.00 -1.43 -0.35 103.07 105.31 1jdd h GLY 172 Ca 0.12 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 1jdd h GLY 172 CO -0.28 0.42 0.16 1.98 0.00 0.00 0.00 176.54 178.82 1jdd h MET 173 N 1.20 0.69 -0.21 4.80 1.85 -0.97 -1.46 114.93 120.84 1jdd h MET 173 Ca 0.36 -0.14 -0.06 0.00 -0.61 0.00 0.00 59.70 59.26 1jdd h MET 173 Cb -0.03 -0.11 -0.01 0.00 0.43 0.00 0.00 31.60 31.89 1jdd h MET 173 CO -0.10 0.65 -0.11 0.74 -0.40 0.00 0.00 176.91 177.69 1jdd h PHE 174 N 0.59 0.51 -0.49 1.39 0.04 -0.99 -1.90 116.94 116.09 1jdd h PHE 174 Ca 0.15 -0.13 0.10 0.00 2.80 0.00 0.00 57.97 60.89 1jdd h PHE 174 Cb 0.23 -0.12 -0.10 0.00 2.20 0.00 0.00 35.95 38.16 1jdd h PHE 174 CO 0.01 0.73 -0.22 -0.09 -0.60 0.00 0.00 178.31 178.14 1jdd h ARG 175 N 0.14 -0.10 -0.64 1.51 1.12 -0.96 0.10 114.38 115.55 1jdd h ARG 175 Ca 0.05 0.01 -0.07 0.00 -1.11 0.00 0.00 59.98 58.85 1jdd h ARG 175 Cb 0.60 0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 30.56 1jdd h ARG 175 CO 0.03 -0.07 0.12 -0.44 -3.11 0.00 0.00 179.97 176.51 1jdd h ASP 176 N -0.11 0.97 -0.18 -3.80 3.32 -1.21 -2.41 116.42 113.01 1jdd h ASP 176 Ca 0.23 -0.21 -0.10 0.00 0.02 0.00 0.00 57.03 56.97 1jdd h ASP 176 Cb 0.47 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1jdd h ASP 176 CO -0.56 0.96 -0.20 -0.08 -1.72 0.00 0.00 179.24 177.63 1jdd h GLU 177 N 0.97 0.61 -0.55 3.56 4.57 -0.21 -2.29 114.58 121.24 1jdd h GLU 177 Ca 0.20 -0.22 -0.08 0.00 -1.18 0.00 0.00 59.36 58.07 1jdd h GLU 177 Cb 0.39 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.91 1jdd h GLU 177 CO 0.01 0.78 0.01 0.74 -1.18 0.00 0.00 179.01 179.37 1jdd h PHE 178 N 0.55 1.00 -0.40 0.92 0.04 -0.77 -0.83 116.94 117.45 1jdd h PHE 178 Ca 0.08 -0.15 -0.13 0.00 2.80 0.00 0.00 57.97 60.58 1jdd h PHE 178 Cb 0.65 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 1jdd h PHE 178 CO 0.03 0.89 -0.26 1.15 -0.60 0.00 0.00 178.31 179.52 1jdd h THR 179 N 0.86 1.27 -0.08 -1.55 2.02 -1.33 -2.54 112.91 111.57 1jdd h THR 179 Ca 0.16 -1.40 -0.00 0.00 0.77 0.00 0.00 66.41 65.94 1jdd h THR 179 Cb 0.49 1.24 -0.00 0.00 -1.74 0.00 0.00 68.15 68.14 1jdd h THR 179 CO 0.02 0.47 0.03 -1.13 0.37 0.00 0.00 175.52 175.29 1jdd h ASN 180 N 0.71 0.11 -1.00 4.18 -0.00 -0.96 0.12 115.58 118.74 1jdd h ASN 180 Ca 0.09 -0.15 0.06 0.00 -0.00 0.00 0.00 56.30 56.30 1jdd h ASN 180 Cb 0.80 -0.03 -0.07 0.00 -0.00 0.00 0.00 38.32 39.03 1jdd h ASN 180 CO 0.07 0.23 0.65 -0.07 -0.00 0.00 0.00 177.43 178.30 1jdd h LEU 181 N -0.02 1.04 -0.13 0.34 4.07 -1.08 0.15 115.31 119.68 1jdd h LEU 181 Ca 0.03 0.01 -0.17 0.00 0.08 0.00 0.00 57.88 57.82 1jdd h LEU 181 Cb 0.15 -0.22 0.01 0.00 1.08 0.00 0.00 40.66 41.68 1jdd h LEU 181 CO -0.00 0.67 -0.59 0.03 -1.08 0.00 0.00 178.44 177.46 1jdd h ARG 182 N 1.19 0.64 0.00 1.13 3.08 -1.25 -0.93 114.38 118.23 1jdd h ARG 182 Ca 0.43 -0.51 -0.15 0.00 0.07 0.00 0.00 59.98 59.82 1jdd h ARG 182 Cb 0.15 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1jdd h ARG 182 CO -0.16 1.13 -0.91 0.66 -1.07 0.00 0.00 179.97 179.62 1jdd h SER 183 N 0.30 0.00 0.00 7.04 4.64 -0.17 -3.34 113.55 122.02 1jdd h SER 183 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1jdd h SER 183 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1jdd h SER 183 CO 0.12 0.61 -0.07 0.00 -0.87 0.00 0.00 176.83 176.62 1jdd n GLN 184 N -3.12 6.23 -0.06 4.77 6.02 0.48 -4.74 117.38 126.96 1jdd n GLN 184 Ca -0.03 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.00 1jdd n GLN 184 Cb 0.81 -0.52 0.05 0.00 1.02 0.00 0.00 30.24 31.60 1jdd n GLN 184 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1jdd n TYR 185 N -0.99 0.00 -2.67 1.08 4.01 -0.84 -4.95 117.16 112.80 1jdd n TYR 185 Ca 0.00 -0.62 -0.19 0.00 -0.16 0.00 0.00 57.90 56.93 1jdd n TYR 185 Cb 0.00 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 38.95 1jdd n TYR 185 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jdd n GLY 186 N -0.79 -0.50 3.74 2.72 0.00 -0.97 -4.86 105.19 104.53 1jdd n GLY 186 Ca 0.06 0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1jdd n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jdd n ALA 187 N -2.60 2.39 0.37 4.61 0.00 -0.41 -4.33 120.51 120.53 1jdd n ALA 187 Ca -0.16 0.38 0.06 0.00 0.00 0.00 0.00 53.44 53.72 1jdd n ALA 187 Cb 0.63 -2.44 0.07 0.00 0.00 0.00 0.00 19.45 17.71 1jdd n ALA 187 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jdd n GLY 188 N 2.16 0.31 0.00 0.00 0.00 0.13 -4.64 105.19 103.15 1jdd n GLY 188 Ca 0.09 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1jdd n GLY 188 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jdd n GLY 189 N 0.66 -1.87 3.04 -0.02 0.00 -1.21 -2.58 105.19 103.20 1jdd n GLY 189 Ca 0.08 -1.47 -0.09 0.00 0.00 0.00 0.00 46.02 44.54 1jdd n GLY 189 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jdd s PHE 190 N -1.87 0.44 -0.30 1.61 0.08 -0.49 -1.21 117.98 116.23 1jdd s PHE 190 Ca 0.00 -0.71 -0.08 0.00 0.12 0.00 0.00 56.93 56.26 1jdd s PHE 190 Cb 0.00 -0.30 -0.00 0.00 -0.57 0.00 0.00 43.02 42.15 1jdd s PHE 190 CO 0.00 -0.23 0.11 0.50 -0.10 0.00 0.00 175.22 175.51 1jdd s ARG 191 N -2.36 3.24 -0.32 0.44 3.00 0.69 -1.64 118.95 122.00 1jdd s ARG 191 Ca -0.06 -0.77 -0.24 0.00 -1.00 0.00 0.00 55.73 53.66 1jdd s ARG 191 Cb -0.04 -3.46 0.00 0.00 0.00 0.00 0.00 34.95 31.46 1jdd s ARG 191 CO -0.04 -0.41 0.82 -0.06 0.00 0.00 0.00 175.30 175.60 1jdd s PHE 192 N 1.56 3.17 0.43 5.12 0.08 0.13 -1.49 117.98 126.99 1jdd s PHE 192 Ca 0.04 0.78 -0.21 0.00 0.12 0.00 0.00 56.93 57.67 1jdd s PHE 192 Cb -0.17 -3.31 -0.11 0.00 -0.57 0.00 0.00 43.02 38.86 1jdd s PHE 192 CO 0.04 -0.63 0.94 0.34 -0.10 0.00 0.00 175.22 175.82 1jdd s ASP 193 N 1.68 6.93 -0.79 1.36 2.15 -0.48 -1.88 116.67 125.63 1jdd s ASP 193 Ca 0.33 1.67 -0.19 0.00 0.43 0.00 0.00 52.55 54.80 1jdd s ASP 193 Cb -0.14 -2.53 0.03 0.00 -0.30 0.00 0.00 42.92 39.98 1jdd s ASP 193 CO 0.14 -0.36 0.47 0.33 -0.17 0.00 0.00 175.17 175.58 1jdd n PHE 194 N -0.65 -1.08 0.30 -5.34 -0.00 -1.26 -4.66 117.46 104.77 1jdd n PHE 194 Ca 0.07 0.17 0.15 0.00 -0.00 0.00 0.00 57.45 57.84 1jdd n PHE 194 Cb 0.54 -1.94 0.72 0.00 -0.00 0.00 0.00 39.48 38.79 1jdd n PHE 194 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 1jdd h VAL 195 N -0.72 0.00 0.00 -2.13 2.07 -1.73 -1.17 116.25 112.58 1jdd h VAL 195 Ca -0.50 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 1jdd h VAL 195 Cb 1.00 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1jdd h VAL 195 CO 0.34 0.00 -0.03 0.08 0.02 0.00 0.00 177.57 177.98 1jdd h ARG 196 N 0.00 0.00 0.00 1.57 0.11 -1.87 -3.29 114.38 110.90 1jdd h ARG 196 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1jdd h ARG 196 Cb 0.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.31 1jdd h ARG 196 CO 0.00 0.03 0.00 0.41 0.10 0.00 0.00 179.97 180.51 1jdd n GLY 197 N 0.38 -1.00 3.69 0.08 0.00 -0.44 -1.81 105.19 106.08 1jdd n GLY 197 Ca 0.02 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.81 1jdd n GLY 197 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1jdd s TYR 198 N -2.27 -0.29 0.34 1.61 -0.85 -1.24 -3.77 117.35 110.88 1jdd s TYR 198 Ca 0.34 -0.05 -0.28 0.00 -0.52 0.00 0.00 57.07 56.56 1jdd s TYR 198 Cb 0.18 0.64 -0.10 0.00 0.38 0.00 0.00 41.96 43.06 1jdd s TYR 198 CO 0.36 -1.00 1.32 0.00 -1.52 0.00 0.00 175.55 174.71 1jdd s ALA 199 N -3.69 3.48 0.20 9.51 0.00 -1.26 -4.75 121.76 125.25 1jdd s ALA 199 Ca 0.08 1.29 -0.10 0.00 0.00 0.00 0.00 51.96 53.23 1jdd s ALA 199 Cb -0.03 -3.49 0.23 0.00 0.00 0.00 0.00 23.12 19.82 1jdd s ALA 199 CO -0.01 -0.70 1.80 -1.35 0.00 0.00 0.00 175.76 175.50 1jdd h PRO 200 N 3.26 0.60 -0.35 0.00 0.11 -1.91 -1.67 132.00 132.03 1jdd h PRO 200 Ca -0.49 -0.04 0.10 0.00 0.11 0.00 0.00 66.00 65.68 1jdd h PRO 200 Cb 1.23 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1jdd h PRO 200 CO 0.65 0.40 0.29 0.93 -0.21 0.00 0.00 178.00 180.06 1jdd h GLU 201 N 0.62 0.00 -0.18 1.05 3.07 -1.92 -1.07 114.58 116.15 1jdd h GLU 201 Ca 0.29 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 59.04 1jdd h GLU 201 Cb 0.20 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 1jdd h GLU 201 CO -0.19 0.00 -0.36 -0.09 -1.40 0.00 0.00 179.01 176.97 1jdd h ARG 202 N 0.00 0.38 -0.41 2.33 2.43 -1.64 -2.13 114.38 115.35 1jdd h ARG 202 Ca 0.17 -0.17 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 1jdd h ARG 202 Cb 0.75 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 1jdd h ARG 202 CO -0.00 0.70 -0.01 0.28 -1.51 0.00 0.00 179.97 179.42 1jdd h VAL 203 N 0.32 1.26 -0.64 0.20 2.07 -1.27 0.32 116.25 118.52 1jdd h VAL 203 Ca 0.04 -1.03 -0.05 0.00 0.82 0.00 0.00 66.70 66.47 1jdd h VAL 203 Cb 0.79 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 1jdd h VAL 203 CO 0.06 0.35 0.18 -1.13 0.02 0.00 0.00 177.57 177.06 1jdd h ASN 204 N 0.55 0.91 0.07 0.57 -0.00 -1.35 -1.43 115.58 114.90 1jdd h ASN 204 Ca 0.11 -0.16 -0.00 0.00 -0.00 0.00 0.00 56.30 56.25 1jdd h ASN 204 Cb 0.49 -0.24 0.00 0.00 -0.00 0.00 0.00 38.32 38.58 1jdd h ASN 204 CO 0.02 0.86 -0.03 0.28 -0.00 0.00 0.00 177.43 178.57 1jdd h SER 205 N 0.94 -0.08 -0.94 1.15 0.02 -1.00 -0.12 113.55 113.53 1jdd h SER 205 Ca 0.21 -0.08 0.05 0.00 -0.84 0.00 0.00 61.79 61.13 1jdd h SER 205 Cb 0.29 0.02 -0.06 0.00 0.14 0.00 0.00 62.40 62.79 1jdd h SER 205 CO -0.01 0.03 0.60 -0.50 -1.14 0.00 0.00 176.83 175.82 1jdd h TRP 206 N -0.18 1.12 -0.09 3.45 6.55 -0.71 -0.99 115.95 125.10 1jdd h TRP 206 Ca -0.01 0.03 -0.06 0.00 0.95 0.00 0.00 58.89 59.80 1jdd h TRP 206 Cb 0.15 -0.37 0.00 0.00 -0.86 0.00 0.00 29.16 28.08 1jdd h TRP 206 CO -0.04 0.60 -0.19 0.52 -1.05 0.00 0.00 178.44 178.27 1jdd h MET 207 N 1.12 0.29 -0.64 0.49 2.86 -1.13 -1.42 114.93 116.49 1jdd h MET 207 Ca 0.39 -0.19 0.10 0.00 -2.06 0.00 0.00 59.70 57.94 1jdd h MET 207 Cb 0.11 0.03 -0.07 0.00 0.06 0.00 0.00 31.60 31.72 1jdd h MET 207 CO -0.15 0.79 0.26 1.15 1.06 0.00 0.00 176.91 180.02 1jdd h THR 208 N -0.17 0.78 -0.07 2.22 2.02 -0.72 0.32 112.91 117.29 1jdd h THR 208 Ca 0.00 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 1jdd h THR 208 Cb 0.78 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1jdd h THR 208 CO 0.04 0.08 -0.05 0.44 0.37 0.00 0.00 175.52 176.41 1jdd h ASP 209 N 0.46 0.16 0.00 4.18 5.19 -1.16 -3.38 116.42 121.87 1jdd h ASP 209 Ca 0.32 -0.45 -0.32 0.00 -0.62 0.00 0.00 57.03 55.97 1jdd h ASP 209 Cb 0.39 -0.05 -0.06 0.00 0.18 0.00 0.00 39.33 39.79 1jdd h ASP 209 CO -0.30 0.57 -2.21 -1.20 -3.12 0.00 0.00 179.24 172.98 1jdd n SER 210 N -4.75 0.75 -2.73 6.45 7.64 -0.54 -4.89 113.62 115.56 1jdd n SER 210 Ca -0.07 -0.01 -0.08 0.00 1.01 0.00 0.00 58.87 59.72 1jdd n SER 210 Cb 0.28 0.85 0.10 0.00 -1.01 0.00 0.00 64.21 64.42 1jdd n SER 210 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jdd n ALA 211 N -2.69 0.39 -0.32 -0.43 0.00 0.22 -4.68 120.51 113.00 1jdd n ALA 211 Ca -0.29 -1.50 0.16 0.00 0.00 0.00 0.00 53.44 51.80 1jdd n ALA 211 Cb 1.06 -1.07 0.35 0.00 0.00 0.00 0.00 19.45 19.79 1jdd n ALA 211 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1jdd h ASP 212 N 2.53 0.42 -0.28 0.00 3.58 -0.67 -0.13 116.42 121.86 1jdd h ASP 212 Ca -0.18 0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1jdd h ASP 212 Cb 1.19 0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.36 1jdd h ASP 212 CO 0.06 -0.01 0.00 0.59 -2.88 0.00 0.00 179.24 177.01 1jdd n ASN 213 N -5.02 2.53 -4.01 2.28 3.02 -1.26 -4.85 115.26 107.96 1jdd n ASN 213 Ca 0.25 -1.86 -0.29 0.00 -0.03 0.00 0.00 54.58 52.65 1jdd n ASN 213 Cb 0.73 -0.18 0.19 0.00 -0.61 0.00 0.00 39.78 39.91 1jdd n ASN 213 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1jdd n SER 214 N 0.89 0.28 -4.88 6.41 7.64 -0.06 -4.90 113.62 119.00 1jdd n SER 214 Ca 0.17 -1.58 -0.35 0.00 1.01 0.00 0.00 58.87 58.12 1jdd n SER 214 Cb 0.46 -0.97 -0.05 0.00 -1.01 0.00 0.00 64.21 62.63 1jdd n SER 214 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1jdd s PHE 215 N -3.81 3.59 0.03 1.43 5.36 -1.06 -4.66 117.98 118.86 1jdd s PHE 215 Ca 0.75 0.58 -0.03 0.00 -0.96 0.00 0.00 56.93 57.27 1jdd s PHE 215 Cb -0.02 -1.99 -0.02 0.00 -0.34 0.00 0.00 43.02 40.65 1jdd s PHE 215 CO 0.52 0.65 0.03 0.00 -1.46 0.00 0.00 175.22 174.96 1jdd s VAL 217 N -2.31 -0.02 -0.08 0.00 0.11 -0.65 -3.31 120.40 114.14 1jdd s VAL 217 Ca -0.08 0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.04 1jdd s VAL 217 Cb -0.03 -0.31 -0.03 0.00 -1.53 0.00 0.00 36.38 34.48 1jdd s VAL 217 CO -0.04 0.03 -0.07 -0.83 -3.33 0.00 0.00 175.10 170.86 1jdd s GLY 218 N 0.58 1.68 -0.61 6.54 0.00 -0.64 0.21 107.32 115.08 1jdd s GLY 218 Ca -0.04 -0.89 -0.16 0.00 0.00 0.00 0.00 44.72 43.63 1jdd s GLY 218 CO -0.03 -0.58 0.61 1.62 0.00 0.00 0.00 173.10 174.72 1jdd s GLN 219 N -0.62 3.12 -0.41 2.90 2.00 -0.79 -1.72 119.66 124.15 1jdd s GLN 219 Ca 0.09 -1.76 -0.03 0.00 -2.00 0.00 0.00 55.36 51.66 1jdd s GLN 219 Cb -0.12 -4.33 0.11 0.00 0.80 0.00 0.00 33.01 29.47 1jdd s GLN 219 CO 0.02 -1.38 0.20 -1.17 -0.50 0.00 0.00 175.29 172.46 1jdd s LEU 220 N 1.62 5.21 -0.74 3.68 2.96 -1.26 -2.73 118.68 127.42 1jdd s LEU 220 Ca 0.08 -1.98 -0.04 0.00 -0.22 0.00 0.00 54.13 51.97 1jdd s LEU 220 Cb -0.25 -1.84 0.19 0.00 0.50 0.00 0.00 46.19 44.79 1jdd s LEU 220 CO 0.01 -0.54 0.59 0.86 -1.32 0.00 0.00 176.35 175.96 1jdd s TRP 221 N 1.16 3.60 -0.26 5.38 -0.11 -1.26 -4.80 118.94 122.65 1jdd s TRP 221 Ca 0.07 -2.72 -0.03 0.00 1.22 0.00 0.00 56.10 54.64 1jdd s TRP 221 Cb -0.23 -3.30 0.14 0.00 -1.50 0.00 0.00 33.47 28.59 1jdd s TRP 221 CO -0.04 -0.83 0.47 0.21 -4.62 0.00 0.00 176.95 172.14 1jdd s LYS 222 N -0.45 0.42 0.67 5.86 2.20 -1.26 -5.03 119.74 122.15 1jdd s LYS 222 Ca 0.20 0.81 -0.11 0.00 -0.36 0.00 0.00 55.97 56.52 1jdd s LYS 222 Cb -0.15 0.04 -0.01 0.00 -1.51 0.00 0.00 37.83 36.20 1jdd s LYS 222 CO -0.07 -0.54 1.07 0.20 -0.36 0.00 0.00 175.35 175.64 1jdd s GLY 223 N 2.67 1.64 0.26 5.54 0.00 -1.26 -4.95 107.32 111.23 1jdd s GLY 223 Ca 0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 44.72 44.60 1jdd s GLY 223 CO -0.17 0.11 1.68 -2.55 0.00 0.00 0.00 173.10 172.17 1jdd h PRO 224 N -0.50 0.30 0.00 2.90 0.11 -1.84 -0.45 132.00 132.52 1jdd h PRO 224 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1jdd h PRO 224 Cb 1.22 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1jdd h PRO 224 CO 0.63 0.20 0.00 -1.13 -0.21 0.00 0.00 178.00 177.49 1jdd n SER 225 N -5.13 0.00 -0.41 -2.05 3.41 -1.26 -2.23 113.62 105.96 1jdd n SER 225 Ca 0.17 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.90 1jdd n SER 225 Cb 0.54 -0.17 0.14 0.00 -0.26 0.00 0.00 64.21 64.45 1jdd n SER 225 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jdd n GLU 226 N -1.17 1.08 -3.48 4.33 1.02 -0.18 -4.90 120.64 117.34 1jdd n GLU 226 Ca 0.05 -0.82 -0.28 0.00 -0.02 0.00 0.00 57.16 56.09 1jdd n GLU 226 Cb 0.05 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 29.96 1jdd n GLU 226 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1jdd s TYR 227 N -2.48 3.48 0.76 -0.32 1.51 -0.94 -5.04 117.35 114.31 1jdd s TYR 227 Ca 0.21 0.54 -0.15 0.00 -1.01 0.00 0.00 57.07 56.66 1jdd s TYR 227 Cb 0.19 -2.01 0.06 0.00 -0.11 0.00 0.00 41.96 40.08 1jdd s TYR 227 CO 0.55 0.26 1.22 -2.30 -1.11 0.00 0.00 175.55 174.17 1jdd n PRO 228 N -0.79 0.44 0.23 -1.71 -0.02 -1.26 -4.74 135.00 127.16 1jdd n PRO 228 Ca -0.03 0.22 0.08 0.00 -2.02 0.00 0.00 63.50 61.76 1jdd n PRO 228 Cb 0.54 -2.46 0.63 0.00 -0.02 0.00 0.00 33.50 32.18 1jdd n PRO 228 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1jdd h ASN 229 N -0.50 0.04 0.57 2.55 4.21 -1.97 -0.51 115.58 119.97 1jdd h ASN 229 Ca -0.48 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.03 1jdd h ASN 229 Cb 1.31 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 38.50 1jdd h ASN 229 CO 0.48 0.03 -0.25 -2.67 -1.29 0.00 0.00 177.43 173.72 1jdd n TRP 230 N -4.53 0.00 -2.74 1.19 4.27 -1.26 -4.85 117.44 109.51 1jdd n TRP 230 Ca -0.02 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.18 1jdd n TRP 230 Cb 0.11 -0.29 -0.05 0.00 -1.36 0.00 0.00 31.31 29.72 1jdd n TRP 230 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 1jdd s ASP 231 N -2.83 7.56 0.55 -0.67 -1.08 -0.20 -4.94 116.67 115.07 1jdd s ASP 231 Ca 0.17 1.86 0.23 0.00 -0.52 0.00 0.00 52.55 54.29 1jdd s ASP 231 Cb 0.19 -2.60 1.51 0.00 -1.46 0.00 0.00 42.92 40.56 1jdd s ASP 231 CO 0.59 0.03 2.16 4.11 0.52 0.00 0.00 175.17 182.58 1jdd h TRP 232 N 4.96 0.00 0.00 -5.34 5.08 -1.89 -1.85 115.95 116.91 1jdd h TRP 232 Ca -0.44 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.53 1jdd h TRP 232 Cb 1.21 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.37 1jdd h TRP 232 CO 0.63 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 177.79 1jdd h ARG 233 N 0.00 0.00 0.00 0.12 3.08 -1.92 -2.68 114.38 112.98 1jdd h ARG 233 Ca 0.04 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 1jdd h ARG 233 Cb 0.18 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 1jdd h ARG 233 CO -0.00 0.00 -0.14 -0.97 -1.07 0.00 0.00 179.97 177.79 1jdd h ASN 234 N 0.00 0.00 -0.10 7.04 -0.73 -1.45 -2.88 115.58 117.46 1jdd h ASN 234 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1jdd h ASN 234 Cb 0.52 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.11 1jdd h ASN 234 CO 0.00 0.14 0.00 0.35 -0.37 0.00 0.00 177.43 177.55 1jdd n THR 235 N -3.45 1.27 -3.10 -3.57 -2.24 -1.03 -4.36 114.28 97.80 1jdd n THR 235 Ca -0.01 -1.30 -0.19 0.00 -2.27 0.00 0.00 64.05 60.28 1jdd n THR 235 Cb 0.31 0.31 0.01 0.00 -2.10 0.00 0.00 70.33 68.85 1jdd n THR 235 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jdd s ALA 236 N -1.49 4.24 0.75 6.98 0.00 -1.09 -5.10 121.76 126.05 1jdd s ALA 236 Ca 0.15 -1.47 -0.11 0.00 0.00 0.00 0.00 51.96 50.52 1jdd s ALA 236 Cb 0.11 -1.78 0.04 0.00 0.00 0.00 0.00 23.12 21.49 1jdd s ALA 236 CO 0.05 -0.29 1.09 -1.54 0.00 0.00 0.00 175.76 175.07 1jdd s SER 237 N -4.29 4.95 0.31 0.00 1.04 -1.26 -4.69 113.70 109.75 1jdd s SER 237 Ca 0.51 1.33 -0.00 0.00 0.48 0.00 0.00 55.95 58.27 1jdd s SER 237 Cb -0.10 -2.12 0.49 0.00 0.10 0.00 0.00 66.02 64.39 1jdd s SER 237 CO 0.34 -1.68 1.92 -0.50 0.98 0.00 0.00 173.24 174.30 1jdd h TRP 238 N -0.89 0.88 -0.46 5.02 4.06 -1.96 -2.87 115.95 119.73 1jdd h TRP 238 Ca -0.46 -0.02 0.04 0.00 2.06 0.00 0.00 58.89 60.51 1jdd h TRP 238 Cb 1.25 -0.28 -0.04 0.00 -1.00 0.00 0.00 29.16 29.09 1jdd h TRP 238 CO 0.51 0.63 0.24 1.96 -3.56 0.00 0.00 178.44 178.22 1jdd h GLN 239 N 0.90 0.46 -0.49 0.49 4.20 -1.93 -2.35 115.11 116.40 1jdd h GLN 239 Ca 0.23 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.84 1jdd h GLN 239 Cb 0.06 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1jdd h GLN 239 CO -0.03 0.31 0.05 1.96 -0.67 0.00 0.00 178.83 180.45 1jdd h GLN 240 N 0.48 0.83 0.16 1.46 4.20 -1.91 -1.34 115.11 118.98 1jdd h GLN 240 Ca 0.20 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1jdd h GLN 240 Cb 0.10 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1jdd h GLN 240 CO -0.13 0.84 -0.07 0.82 -0.67 0.00 0.00 178.83 179.61 1jdd h ILE 241 N 0.69 0.85 -0.20 2.54 2.04 -1.34 -1.32 117.51 120.79 1jdd h ILE 241 Ca 0.14 -0.03 -0.16 0.00 1.00 0.00 0.00 64.86 65.81 1jdd h ILE 241 Cb 0.43 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1jdd h ILE 241 CO 0.01 0.01 -0.54 0.16 0.00 0.00 0.00 178.15 177.79 1jdd h ILE 242 N -0.22 1.32 -0.67 -0.67 3.07 -1.41 -3.04 117.51 115.88 1jdd h ILE 242 Ca -0.02 -1.78 0.00 0.00 1.55 0.00 0.00 64.86 64.61 1jdd h ILE 242 Cb 0.17 1.75 -0.03 0.00 -0.27 0.00 0.00 36.82 38.44 1jdd h ILE 242 CO 0.04 0.56 0.44 0.50 -1.05 0.00 0.00 178.15 178.63 1jdd h LYS 243 N 0.45 0.89 -0.23 0.16 1.63 -1.19 -1.76 116.57 116.51 1jdd h LYS 243 Ca 0.01 -0.06 0.02 0.00 -0.85 0.00 0.00 60.65 59.77 1jdd h LYS 243 Cb 1.09 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 32.50 1jdd h LYS 243 CO 0.10 0.60 0.09 0.22 -3.45 0.00 0.00 179.45 177.01 1jdd h ASP 244 N 0.91 0.12 -0.32 4.20 3.58 -1.23 0.11 116.42 123.79 1jdd h ASP 244 Ca 0.24 0.02 0.02 0.00 0.42 0.00 0.00 57.03 57.73 1jdd h ASP 244 Cb -0.09 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 40.94 1jdd h ASP 244 CO -0.05 0.10 0.17 -0.25 -2.88 0.00 0.00 179.24 176.32 1jdd h TRP 245 N 0.21 0.31 -0.56 0.28 7.01 -1.37 -2.63 115.95 119.19 1jdd h TRP 245 Ca 0.10 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.07 1jdd h TRP 245 Cb 0.05 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 26.99 1jdd h TRP 245 CO -0.11 0.17 0.18 1.03 -2.79 0.00 0.00 178.44 176.92 1jdd h SER 246 N 0.34 0.78 -0.60 2.65 0.87 -1.00 0.03 113.55 116.62 1jdd h SER 246 Ca 0.13 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1jdd h SER 246 Cb 0.03 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.76 1jdd h SER 246 CO -0.08 0.73 0.38 0.44 -0.53 0.00 0.00 176.83 177.78 1jdd h ASP 247 N 0.82 0.71 0.32 6.23 3.32 -0.61 -0.69 116.42 126.52 1jdd h ASP 247 Ca 0.19 -0.03 -0.33 0.00 0.02 0.00 0.00 57.03 56.88 1jdd h ASP 247 Cb 0.23 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1jdd h ASP 247 CO -0.01 0.53 -1.72 0.03 -1.72 0.00 0.00 179.24 176.35 1jdd h ARG 248 N 0.83 0.25 0.00 3.56 3.08 -1.33 -3.35 114.38 117.42 1jdd h ARG 248 Ca 0.22 -0.43 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1jdd h ARG 248 Cb -0.06 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1jdd h ARG 248 CO -0.04 1.10 -0.37 0.00 -1.07 0.00 0.00 179.97 179.59 1jdd h ALA 249 N 0.37 0.77 -5.20 0.04 0.00 -0.91 -3.36 119.26 110.98 1jdd h ALA 249 Ca -0.32 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.18 1jdd h ALA 249 Cb 2.04 0.00 0.06 0.00 0.00 0.00 0.00 17.79 19.89 1jdd h ALA 249 CO 0.14 0.00 -0.64 1.63 0.00 0.00 0.00 179.25 180.37 1jdd n LYS 250 N -2.39 -5.82 -4.18 0.00 4.76 -0.27 -3.40 118.16 106.85 1jdd n LYS 250 Ca 0.04 0.81 -0.16 0.00 -2.87 0.00 0.00 58.31 56.13 1jdd n LYS 250 Cb 0.47 -5.73 -0.13 0.00 -1.84 0.00 0.00 35.03 27.80 1jdd n LYS 250 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1jdd n PRO 252 N 2.02 -0.46 -4.10 0.00 -0.02 -1.21 -4.50 135.00 126.73 1jdd n PRO 252 Ca -0.18 -0.09 -0.15 0.00 -2.02 0.00 0.00 63.50 61.05 1jdd n PRO 252 Cb 0.56 -1.96 -0.14 0.00 -0.02 0.00 0.00 33.50 31.93 1jdd n PRO 252 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1jdd s VAL 253 N -2.44 0.33 0.23 -1.45 0.11 -0.12 -1.62 120.40 115.45 1jdd s VAL 253 Ca 0.59 -0.18 -0.32 0.00 -2.93 0.00 0.00 61.98 59.15 1jdd s VAL 253 Cb -0.21 -0.29 -0.13 0.00 -1.53 0.00 0.00 36.38 34.22 1jdd s VAL 253 CO 0.65 0.10 1.60 0.49 -3.33 0.00 0.00 175.10 174.62 1jdd n PHE 254 N 3.01 2.59 -2.51 1.54 3.72 -0.70 -1.43 117.46 123.68 1jdd n PHE 254 Ca -0.13 0.22 -0.41 0.00 -0.05 0.00 0.00 57.45 57.08 1jdd n PHE 254 Cb 0.58 -2.59 -0.02 0.00 -0.94 0.00 0.00 39.48 36.52 1jdd n PHE 254 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1jdd s ASP 255 N 0.77 6.52 0.43 4.37 -1.08 0.68 -4.75 116.67 123.61 1jdd s ASP 255 Ca 0.71 -1.95 0.25 0.00 -0.52 0.00 0.00 52.55 51.05 1jdd s ASP 255 Cb -0.56 -2.58 0.57 0.00 -1.46 0.00 0.00 42.92 38.89 1jdd s ASP 255 CO 0.41 -1.49 1.69 -0.26 0.52 0.00 0.00 175.17 176.04 1jdd h PHE 256 N 8.70 0.00 -0.27 -5.34 0.04 -1.88 -2.58 116.94 115.62 1jdd h PHE 256 Ca 0.33 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 61.06 1jdd h PHE 256 Cb 0.93 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.07 1jdd h PHE 256 CO 1.35 0.00 0.03 0.00 -0.60 0.00 0.00 178.31 179.09 1jdd h ALA 257 N 2.06 0.35 -0.16 2.45 0.00 -1.85 -0.79 119.26 121.31 1jdd h ALA 257 Ca 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1jdd h ALA 257 Cb 0.88 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1jdd h ALA 257 CO 0.00 0.06 -0.04 1.25 0.00 0.00 0.00 179.25 180.52 1jdd h LEU 258 N 0.25 0.31 -0.42 0.00 5.85 -1.79 -2.58 115.31 116.93 1jdd h LEU 258 Ca 0.08 -0.36 0.05 0.00 0.84 0.00 0.00 57.88 58.48 1jdd h LEU 258 Cb 0.37 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 1jdd h LEU 258 CO 0.01 0.60 0.16 0.50 -0.34 0.00 0.00 178.44 179.38 1jdd h LYS 259 N 0.02 0.33 -0.48 1.25 1.63 -1.46 -0.29 116.57 117.57 1jdd h LYS 259 Ca 0.04 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.78 1jdd h LYS 259 Cb 0.47 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.00 1jdd h LYS 259 CO 0.02 0.22 0.12 1.49 -3.45 0.00 0.00 179.45 177.84 1jdd h GLU 260 N 0.34 0.72 -0.11 1.90 4.22 -1.08 -1.70 114.58 118.87 1jdd h GLU 260 Ca 0.19 -0.14 -0.16 0.00 0.08 0.00 0.00 59.36 59.34 1jdd h GLU 260 Cb 0.17 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1jdd h GLU 260 CO -0.19 0.66 -0.63 0.00 -2.18 0.00 0.00 179.01 176.67 1jdd h ARG 261 N 0.70 0.41 -0.32 1.92 2.47 -1.01 0.18 114.38 118.72 1jdd h ARG 261 Ca 0.16 -0.29 -0.07 0.00 -1.26 0.00 0.00 59.98 58.52 1jdd h ARG 261 Cb 0.26 0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.61 1jdd h ARG 261 CO -0.00 0.90 -0.08 0.52 0.56 0.00 0.00 179.97 181.86 1jdd h MET 262 N 0.30 0.54 0.17 0.04 2.86 -0.68 0.24 114.93 118.40 1jdd h MET 262 Ca -0.01 -0.14 -0.34 0.00 -2.06 0.00 0.00 59.70 57.15 1jdd h MET 262 Cb 1.17 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 32.77 1jdd h MET 262 CO 0.11 0.63 -1.67 1.96 1.06 0.00 0.00 176.91 179.00 1jdd h GLN 263 N 0.50 0.37 0.00 1.72 1.08 -1.21 -3.42 115.11 114.15 1jdd h GLN 263 Ca 0.10 -0.63 -0.09 0.00 -1.45 0.00 0.00 58.65 56.58 1jdd h GLN 263 Cb 0.46 0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 28.10 1jdd h GLN 263 CO 0.02 1.27 -1.57 0.09 -0.95 0.00 0.00 178.83 177.70 1jdd n ASN 264 N -3.56 2.63 -1.88 1.46 5.03 0.04 -5.05 115.26 113.92 1jdd n ASN 264 Ca -0.22 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.23 1jdd n ASN 264 Cb 1.07 1.11 0.00 0.00 -1.02 0.00 0.00 39.78 40.94 1jdd n ASN 264 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jdd n GLY 265 N 2.16 1.74 3.99 7.41 0.00 0.85 -5.02 105.19 116.32 1jdd n GLY 265 Ca -0.09 -2.10 -0.19 0.00 0.00 0.00 0.00 46.02 43.65 1jdd n GLY 265 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jdd s SER 266 N -1.00 5.49 0.40 1.61 1.04 -1.26 -4.81 113.70 115.16 1jdd s SER 266 Ca 0.00 -0.22 0.14 0.00 0.48 0.00 0.00 55.95 56.34 1jdd s SER 266 Cb 0.00 -0.77 0.97 0.00 0.10 0.00 0.00 66.02 66.32 1jdd s SER 266 CO 0.00 -0.93 1.88 -0.29 0.98 0.00 0.00 173.24 174.87 1jdd h ILE 267 N 0.38 0.76 0.00 -1.02 2.10 -1.94 0.18 117.51 117.97 1jdd h ILE 267 Ca -0.41 -0.18 -0.02 0.00 1.08 0.00 0.00 64.86 65.33 1jdd h ILE 267 Cb 1.29 0.20 -0.00 0.00 -1.09 0.00 0.00 36.82 37.22 1jdd h ILE 267 CO 0.49 0.09 -0.10 0.00 -1.08 0.00 0.00 178.15 177.55 1jdd h ALA 268 N 1.62 1.41 0.00 0.18 0.00 -1.94 -1.09 119.26 119.44 1jdd h ALA 268 Ca 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1jdd h ALA 268 Cb 0.92 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1jdd h ALA 268 CO -0.18 0.12 0.00 -0.25 0.00 0.00 0.00 179.25 178.95 1jdd n ASP 269 N -3.80 0.00 0.24 0.00 8.00 0.64 -3.58 116.55 118.05 1jdd n ASP 269 Ca -0.02 0.32 0.17 0.00 0.71 0.00 0.00 54.79 55.97 1jdd n ASP 269 Cb 0.20 -0.44 0.87 0.00 -0.02 0.00 0.00 41.12 41.74 1jdd n ASP 269 CO 0.00 0.00 0.00 -0.50 -0.39 0.00 0.00 177.20 176.31 1jdd h TRP 270 N 0.00 0.00 0.00 1.24 4.06 -1.18 -0.88 115.95 119.19 1jdd h TRP 270 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1jdd h TRP 270 Cb 0.40 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.56 1jdd h TRP 270 CO 0.00 0.00 0.00 0.36 -3.56 0.00 0.00 178.44 175.24 1jdd n LYS 271 N -3.66 0.17 -0.44 0.49 2.85 -1.23 -2.53 118.16 113.81 1jdd n LYS 271 Ca 0.01 0.06 0.11 0.00 -1.05 0.00 0.00 58.31 57.44 1jdd n LYS 271 Cb 0.29 -1.50 0.33 0.00 -0.65 0.00 0.00 35.03 33.50 1jdd n LYS 271 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1jdd n HIS 272 N -1.08 1.12 -2.01 5.58 8.25 -0.34 -4.55 115.22 122.20 1jdd n HIS 272 Ca 0.04 -0.52 -0.28 0.00 -0.26 0.00 0.00 57.72 56.70 1jdd n HIS 272 Cb 0.03 -0.06 0.11 0.00 1.12 0.00 0.00 29.99 31.19 1jdd n HIS 272 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1jdd s GLY 273 N -0.97 1.67 0.33 -1.41 0.00 -1.05 -4.63 107.32 101.25 1jdd s GLY 273 Ca 0.50 -0.91 0.01 0.00 0.00 0.00 0.00 44.72 44.32 1jdd s GLY 273 CO 0.31 -0.36 1.96 -2.00 0.00 0.00 0.00 173.10 173.01 1jdd h LEU 274 N -1.08 0.77 -1.77 0.66 5.85 -1.92 -2.84 115.31 114.99 1jdd h LEU 274 Ca -0.45 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1jdd h LEU 274 Cb 1.30 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1jdd h LEU 274 CO 0.56 0.61 0.00 -0.55 -0.34 0.00 0.00 178.44 178.72 1jdd h ASN 275 N 0.88 0.00 -0.10 1.25 -1.07 -1.86 -1.51 115.58 113.17 1jdd h ASN 275 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.60 1jdd h ASN 275 Cb -0.01 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.24 1jdd h ASN 275 CO -0.04 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.07 1jdd n GLY 276 N -0.90 0.95 3.72 9.14 0.00 -1.07 -4.40 105.19 112.64 1jdd n GLY 276 Ca -0.01 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 1jdd n GLY 276 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jdd s ASN 277 N -1.88 6.40 0.58 1.61 2.47 -0.57 -4.89 114.94 118.66 1jdd s ASN 277 Ca 0.32 2.85 0.38 0.00 0.42 0.00 0.00 52.86 56.83 1jdd s ASN 277 Cb 0.21 -2.60 2.00 0.00 -1.45 0.00 0.00 41.25 39.40 1jdd s ASN 277 CO 0.31 -0.96 2.17 1.55 -3.72 0.00 0.00 177.10 176.45 1jdd h PRO 278 N 6.74 0.00 -5.36 0.43 0.13 -1.91 -3.39 132.00 128.62 1jdd h PRO 278 Ca -0.43 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.09 1jdd h PRO 278 Cb 1.20 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.21 1jdd h PRO 278 CO 0.95 0.00 -0.13 0.34 -0.23 0.00 0.00 178.00 178.93 1jdd s ASP 279 N -5.04 6.42 0.46 1.44 -1.08 -1.26 -4.96 116.67 112.64 1jdd s ASP 279 Ca -0.03 0.49 0.12 0.00 -0.52 0.00 0.00 52.55 52.61 1jdd s ASP 279 Cb 0.11 -2.25 1.06 0.00 -1.46 0.00 0.00 42.92 40.38 1jdd s ASP 279 CO 0.40 -0.17 2.09 1.55 0.52 0.00 0.00 175.17 179.56 1jdd h PRO 280 N 7.73 0.22 0.00 4.34 0.13 -1.91 0.01 132.00 142.51 1jdd h PRO 280 Ca -0.33 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.77 1jdd h PRO 280 Cb 1.15 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 1jdd h PRO 280 CO 0.70 0.18 -0.08 0.00 -0.23 0.00 0.00 178.00 178.57 1jdd h ARG 281 N 0.22 0.00 0.00 0.86 2.47 -1.93 -1.54 114.38 114.46 1jdd h ARG 281 Ca 0.06 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.69 1jdd h ARG 281 Cb 0.03 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.34 1jdd h ARG 281 CO -0.01 0.08 -0.60 -1.49 0.56 0.00 0.00 179.97 178.52 1jdd h TRP 282 N 0.00 0.00 0.00 3.04 4.06 -1.36 -3.40 115.95 118.29 1jdd h TRP 282 Ca -0.00 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.89 1jdd h TRP 282 Cb 0.30 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.46 1jdd h TRP 282 CO 0.00 0.84 -0.30 0.07 -3.56 0.00 0.00 178.44 175.48 1jdd h ARG 283 N -1.00 0.00 0.00 0.49 0.11 -1.32 -3.25 114.38 109.42 1jdd h ARG 283 Ca -0.14 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.94 1jdd h ARG 283 Cb 0.87 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.95 1jdd h ARG 283 CO -0.08 0.30 0.00 -0.85 0.10 0.00 0.00 179.97 179.44 1jdd n GLU 284 N -3.55 0.18 0.00 0.08 0.28 -0.59 -2.12 120.64 114.91 1jdd n GLU 284 Ca -0.00 0.41 0.12 0.00 -0.16 0.00 0.00 57.16 57.52 1jdd n GLU 284 Cb 0.44 -1.84 0.16 0.00 1.43 0.00 0.00 31.44 31.64 1jdd n GLU 284 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 1jdd n VAL 285 N -2.17 0.00 -2.67 3.84 0.24 -1.22 -4.75 118.33 111.60 1jdd n VAL 285 Ca 0.02 -0.30 -0.40 0.00 -2.04 0.00 0.00 64.34 61.62 1jdd n VAL 285 Cb 0.22 1.07 -0.05 0.00 -1.47 0.00 0.00 33.84 33.62 1jdd n VAL 285 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jdd s ALA 286 N -2.29 3.33 -0.31 2.33 0.00 -0.90 -0.95 121.76 122.98 1jdd s ALA 286 Ca 0.25 0.68 0.03 0.00 0.00 0.00 0.00 51.96 52.92 1jdd s ALA 286 Cb 0.19 -3.26 0.09 0.00 0.00 0.00 0.00 23.12 20.14 1jdd s ALA 286 CO 0.46 0.04 0.01 0.08 0.00 0.00 0.00 175.76 176.35 1jdd s VAL 287 N -0.77 2.01 0.33 0.00 1.01 -0.51 -1.51 120.40 120.96 1jdd s VAL 287 Ca 0.44 -1.98 -0.16 0.00 0.00 0.00 0.00 61.98 60.28 1jdd s VAL 287 Cb -0.27 -2.39 -0.09 0.00 0.00 0.00 0.00 36.38 33.63 1jdd s VAL 287 CO 0.33 -0.44 0.76 0.42 0.00 0.00 0.00 175.10 176.16 1jdd s THR 288 N 1.08 4.64 0.15 3.92 -4.23 -0.08 -0.23 115.64 120.88 1jdd s THR 288 Ca 0.05 1.03 -0.19 0.00 -1.18 0.00 0.00 61.69 61.40 1jdd s THR 288 Cb -0.19 -3.63 0.05 0.00 1.34 0.00 0.00 72.50 70.07 1jdd s THR 288 CO -0.09 -0.17 0.49 0.72 -0.54 0.00 0.00 174.62 175.03 1jdd s PHE 289 N -1.97 -0.31 -0.24 3.99 -0.71 -1.26 -0.10 117.98 117.37 1jdd s PHE 289 Ca 0.54 0.03 -0.07 0.00 -1.04 0.00 0.00 56.93 56.40 1jdd s PHE 289 Cb -0.11 0.38 -0.12 0.00 -1.21 0.00 0.00 43.02 41.97 1jdd s PHE 289 CO 0.17 -0.78 -0.27 1.33 -1.34 0.00 0.00 175.22 174.33 1jdd n VAL 290 N -0.30 1.33 -3.79 -2.49 0.24 -1.26 -4.80 118.33 107.26 1jdd n VAL 290 Ca -0.16 -0.41 -0.10 0.00 -2.04 0.00 0.00 64.34 61.64 1jdd n VAL 290 Cb 0.64 -1.62 -0.07 0.00 -1.47 0.00 0.00 33.84 31.32 1jdd n VAL 290 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1jdd s ASP 291 N -6.80 0.01 0.13 -1.34 1.01 -1.26 -4.69 116.67 103.73 1jdd s ASP 291 Ca -0.33 -0.50 0.02 0.00 0.71 0.00 0.00 52.55 52.45 1jdd s ASP 291 Cb 0.11 0.37 -0.01 0.00 1.01 0.00 0.00 42.92 44.40 1jdd s ASP 291 CO 0.47 -0.73 0.06 -0.46 0.21 0.00 0.00 175.17 174.73 1jdd n ASN 292 N 0.05 0.61 0.30 0.27 2.04 -1.26 -4.56 115.26 112.71 1jdd n ASN 292 Ca -0.16 -1.72 0.18 0.00 -0.44 0.00 0.00 54.58 52.44 1jdd n ASN 292 Cb 0.62 0.41 0.96 0.00 -2.53 0.00 0.00 39.78 39.24 1jdd n ASN 292 CO 0.00 0.00 0.00 1.12 -0.44 0.00 0.00 177.26 177.94 1jdd h HIS 293 N 1.27 0.00 0.00 -2.53 2.07 -1.89 0.10 115.15 114.17 1jdd h HIS 293 Ca -0.10 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.32 1jdd h HIS 293 Cb 0.40 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.36 1jdd h HIS 293 CO 0.00 0.03 -0.89 -0.25 -3.07 0.00 0.00 177.93 173.75 1jdd n ASP 294 N -3.41 1.84 -0.07 3.10 8.00 -1.26 -4.40 116.55 120.36 1jdd n ASP 294 Ca -0.02 0.53 -0.12 0.00 0.71 0.00 0.00 54.79 55.89 1jdd n ASP 294 Cb 0.15 -0.90 -0.06 0.00 -0.02 0.00 0.00 41.12 40.29 1jdd n ASP 294 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1jdd h THR 295 N -1.00 1.31 -2.53 -3.53 1.35 -1.86 -0.16 112.91 106.49 1jdd h THR 295 Ca -0.15 -1.16 -0.46 0.00 -0.55 0.00 0.00 66.41 64.08 1jdd h THR 295 Cb 0.86 1.67 0.11 0.00 -1.73 0.00 0.00 68.15 69.07 1jdd h THR 295 CO -0.09 0.35 0.20 -0.83 -0.25 0.00 0.00 175.52 174.90 1jdd s GLY 296 N -3.33 1.77 0.80 5.82 0.00 0.02 -0.95 107.32 111.44 1jdd s GLY 296 Ca -0.14 -1.67 -0.12 0.00 0.00 0.00 0.00 44.72 42.79 1jdd s GLY 296 CO 0.75 -1.01 1.16 -0.19 0.00 0.00 0.00 173.10 173.82 1jdd s TYR 297 N -3.38 2.98 -0.02 1.90 2.02 -1.26 -1.21 117.35 118.38 1jdd s TYR 297 Ca 0.70 0.76 -0.09 0.00 -0.37 0.00 0.00 57.07 58.07 1jdd s TYR 297 Cb -0.04 -3.45 0.01 0.00 -0.40 0.00 0.00 41.96 38.08 1jdd s TYR 297 CO 0.47 -1.71 0.19 -1.12 -1.57 0.00 0.00 175.55 171.81 1jdd s SER 298 N -4.56 -0.07 0.97 2.29 0.01 -0.85 -4.87 113.70 106.62 1jdd s SER 298 Ca 0.62 0.00 -0.11 0.00 1.31 0.00 0.00 55.95 57.77 1jdd s SER 298 Cb -0.11 0.28 0.18 0.00 0.21 0.00 0.00 66.02 66.58 1jdd s SER 298 CO 0.49 -0.31 1.10 -2.84 0.41 0.00 0.00 173.24 172.09 1jdd s PRO 299 N -1.00 0.56 1.63 12.44 0.02 -1.26 -3.53 135.00 143.85 1jdd s PRO 299 Ca -0.11 1.25 0.00 0.00 0.02 0.00 0.00 61.00 62.16 1jdd s PRO 299 Cb -0.06 -1.70 0.00 0.00 0.02 0.00 0.00 34.50 32.77 1jdd s PRO 299 CO 0.02 -2.84 0.00 0.41 -0.33 0.00 0.00 177.00 174.25 1jdd n GLY 300 N 0.14 -1.05 3.62 0.52 0.00 -1.26 -4.57 105.19 102.59 1jdd n GLY 300 Ca 0.09 -1.46 -0.60 0.00 0.00 0.00 0.00 46.02 44.04 1jdd n GLY 300 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1jdd n GLN 301 N 0.00 0.63 -0.91 1.61 7.27 -1.26 -2.34 117.38 122.38 1jdd n GLN 301 Ca 0.00 0.22 0.00 0.00 0.07 0.00 0.00 57.00 57.29 1jdd n GLN 301 Cb 0.00 -1.87 0.00 0.00 2.41 0.00 0.00 30.24 30.78 1jdd n GLN 301 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1jdd n ASN 302 N 5.82 -4.30 -0.54 1.69 5.03 -1.26 -0.88 115.26 120.82 1jdd n ASN 302 Ca 0.34 0.00 -0.07 0.00 0.87 0.00 0.00 54.58 55.72 1jdd n ASN 302 Cb 0.06 -2.81 -0.03 0.00 -1.02 0.00 0.00 39.78 35.98 1jdd n ASN 302 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jdd n GLY 303 N -0.17 0.91 7.00 7.41 0.00 -0.99 -4.71 105.19 114.64 1jdd n GLY 303 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1jdd n GLY 303 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jdd n GLY 304 N -1.89 0.12 0.12 -0.02 0.00 -0.06 -2.01 105.19 101.45 1jdd n GLY 304 Ca -0.07 -0.98 -0.22 0.00 0.00 0.00 0.00 46.02 44.74 1jdd n GLY 304 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jdd n GLN 305 N 4.96 0.65 -4.12 1.61 6.02 -1.26 -4.91 117.38 120.33 1jdd n GLN 305 Ca 0.00 0.38 -0.44 0.00 -0.01 0.00 0.00 57.00 56.93 1jdd n GLN 305 Cb 0.00 -1.68 -0.00 0.00 1.02 0.00 0.00 30.24 29.58 1jdd n GLN 305 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 1jdd n HIS 306 N -3.96 -1.37 0.21 1.08 1.44 -0.35 -4.85 115.22 107.43 1jdd n HIS 306 Ca -0.37 0.17 0.10 0.00 -2.01 0.00 0.00 57.72 55.62 1jdd n HIS 306 Cb 0.87 -2.81 0.27 0.00 0.12 0.00 0.00 29.99 28.45 1jdd n HIS 306 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1jdd h HIS 307 N -2.48 0.00 0.00 -1.40 3.86 -0.48 -3.40 115.15 111.24 1jdd h HIS 307 Ca -0.71 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 58.32 1jdd h HIS 307 Cb 1.41 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 29.74 1jdd h HIS 307 CO 0.40 0.17 -0.26 1.87 0.86 0.00 0.00 177.93 180.96 1jdd n TRP 308 N -3.18 -2.02 -2.59 2.45 -0.00 -0.13 -4.95 117.44 107.02 1jdd n TRP 308 Ca 0.02 -1.61 -0.42 0.00 -0.00 0.00 0.00 57.50 55.50 1jdd n TRP 308 Cb 0.53 1.47 -0.04 0.00 -0.00 0.00 0.00 31.31 33.27 1jdd n TRP 308 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1jdd s ALA 309 N 0.21 3.29 -0.09 5.87 0.00 -0.61 -4.61 121.76 125.83 1jdd s ALA 309 Ca 0.22 0.70 -0.30 0.00 0.00 0.00 0.00 51.96 52.58 1jdd s ALA 309 Cb 0.29 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 20.03 1jdd s ALA 309 CO -0.11 -0.24 1.04 -1.17 0.00 0.00 0.00 175.76 175.28 1jdd s LEU 310 N 0.47 4.26 0.51 0.00 2.96 -1.26 -5.00 118.68 120.62 1jdd s LEU 310 Ca 0.52 1.59 -0.23 0.00 -0.22 0.00 0.00 54.13 55.80 1jdd s LEU 310 Cb -0.26 -3.56 -0.06 0.00 0.50 0.00 0.00 46.19 42.81 1jdd s LEU 310 CO 0.30 -0.46 1.34 0.00 -1.32 0.00 0.00 176.35 176.22 1jdd s GLN 311 N 1.96 3.35 0.57 1.98 -2.07 -1.26 -4.86 119.66 119.33 1jdd s GLN 311 Ca 0.50 2.20 0.27 0.00 -1.82 0.00 0.00 55.36 56.51 1jdd s GLN 311 Cb -0.20 -2.37 1.53 0.00 -1.09 0.00 0.00 33.01 30.88 1jdd s GLN 311 CO 0.19 -1.01 2.05 0.38 -1.32 0.00 0.00 175.29 175.58 1jdd h ASP 312 N 1.74 0.00 0.38 12.60 2.03 -2.02 -1.45 116.42 129.71 1jdd h ASP 312 Ca -0.51 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.79 1jdd h ASP 312 Cb 1.28 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.78 1jdd h ASP 312 CO 0.58 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 179.40 1jdd n GLY 313 N -1.50 -0.96 0.04 7.15 0.00 -1.26 -2.59 105.19 106.07 1jdd n GLY 313 Ca 0.04 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1jdd n GLY 313 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jdd n LEU 314 N -1.87 1.23 -0.02 0.99 4.77 -0.55 -4.80 117.00 116.75 1jdd n LEU 314 Ca 0.01 -1.15 -0.10 0.00 -0.03 0.00 0.00 56.01 54.75 1jdd n LEU 314 Cb 0.13 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.18 1jdd n LEU 314 CO 0.12 0.30 0.85 0.40 -1.33 0.00 0.00 177.39 177.73 1jdd h ILE 315 N 0.18 0.89 -0.55 -0.08 2.04 -1.49 0.11 117.51 118.60 1jdd h ILE 315 Ca 0.00 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 1jdd h ILE 315 Cb 0.11 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1jdd h ILE 315 CO 0.00 0.00 0.26 0.03 0.00 0.00 0.00 178.15 178.45 1jdd h ARG 316 N 0.03 0.80 -0.58 2.37 3.08 -1.87 -0.32 114.38 117.88 1jdd h ARG 316 Ca 0.06 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1jdd h ARG 316 Cb 0.09 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 1jdd h ARG 316 CO -0.12 0.66 0.37 1.96 -1.07 0.00 0.00 179.97 181.76 1jdd h GLN 317 N 0.74 0.78 -0.02 0.04 7.50 -1.84 -0.26 115.11 122.04 1jdd h GLN 317 Ca 0.19 -0.06 -0.00 0.00 0.50 0.00 0.00 58.65 59.28 1jdd h GLN 317 Cb 0.13 -0.17 -0.00 0.00 0.05 0.00 0.00 27.48 27.49 1jdd h GLN 317 CO -0.02 0.55 0.01 0.00 -1.50 0.00 0.00 178.83 177.87 1jdd h ALA 318 N 1.19 0.03 -0.45 3.87 0.00 -0.37 -0.60 119.26 122.93 1jdd h ALA 318 Ca 0.21 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1jdd h ALA 318 Cb -0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1jdd h ALA 318 CO -0.04 -0.42 0.20 1.88 0.00 0.00 0.00 179.25 180.87 1jdd h TYR 319 N -0.07 0.67 -0.82 0.00 0.05 -0.94 -2.07 116.97 113.78 1jdd h TYR 319 Ca 0.01 -0.04 0.12 0.00 0.05 0.00 0.00 58.73 58.87 1jdd h TYR 319 Cb 0.10 -0.20 -0.08 0.00 1.01 0.00 0.00 36.73 37.56 1jdd h TYR 319 CO -0.04 0.56 0.43 0.00 -1.05 0.00 0.00 178.16 178.06 1jdd h ALA 320 N 1.04 1.20 0.18 3.88 0.00 -0.91 -0.38 119.26 124.28 1jdd h ALA 320 Ca 0.15 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1jdd h ALA 320 Cb 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1jdd h ALA 320 CO -0.02 -0.03 -0.08 -0.92 0.00 0.00 0.00 179.25 178.20 1jdd h TYR 321 N 0.67 -0.22 -0.55 0.00 3.20 -0.74 -2.78 116.97 116.55 1jdd h TYR 321 Ca 0.42 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.23 1jdd h TYR 321 Cb 0.52 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 1jdd h TYR 321 CO -0.09 0.14 0.11 -0.84 -1.64 0.00 0.00 178.16 175.84 1jdd h ILE 322 N -0.62 1.23 0.00 1.81 3.07 -1.10 -2.21 117.51 119.70 1jdd h ILE 322 Ca -0.02 -0.87 -0.06 0.00 1.55 0.00 0.00 64.86 65.46 1jdd h ILE 322 Cb 0.46 0.69 -0.01 0.00 -0.27 0.00 0.00 36.82 37.69 1jdd h ILE 322 CO 0.04 0.32 -0.27 -0.07 -1.05 0.00 0.00 178.15 177.12 1jdd h LEU 323 N 0.83 0.00 -1.63 0.16 4.07 -1.14 -3.13 115.31 114.46 1jdd h LEU 323 Ca 0.18 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.14 1jdd h LEU 323 Cb 0.33 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.07 1jdd h LEU 323 CO 0.00 0.27 -0.07 0.35 -1.08 0.00 0.00 178.44 177.91 1jdd n THR 324 N -3.42 0.00 -4.38 0.22 -2.24 -1.05 -4.57 114.28 98.85 1jdd n THR 324 Ca 0.00 -0.47 -0.26 0.00 -2.27 0.00 0.00 64.05 61.05 1jdd n THR 324 Cb 0.46 1.38 -0.09 0.00 -2.10 0.00 0.00 70.33 69.98 1jdd n THR 324 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1jdd s SER 325 N -1.75 4.15 1.18 3.42 1.04 -0.85 -4.90 113.70 115.99 1jdd s SER 325 Ca 0.22 -1.23 -0.17 0.00 0.48 0.00 0.00 55.95 55.25 1jdd s SER 325 Cb 0.16 -0.43 0.21 0.00 0.10 0.00 0.00 66.02 66.06 1jdd s SER 325 CO 0.29 -0.50 0.45 -2.65 0.98 0.00 0.00 173.24 171.81 1jdd n PRO 326 N -1.11 -2.51 0.00 4.02 -0.02 -1.26 -4.82 135.00 129.31 1jdd n PRO 326 Ca -0.03 -0.72 0.00 0.00 -2.02 0.00 0.00 63.50 60.73 1jdd n PRO 326 Cb 0.66 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 1jdd n PRO 326 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jdd n GLY 327 N 1.82 -2.67 3.25 -1.23 0.00 0.02 -4.85 105.19 101.53 1jdd n GLY 327 Ca 0.04 -1.70 -0.35 0.00 0.00 0.00 0.00 46.02 44.01 1jdd n GLY 327 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jdd s THR 328 N -0.72 3.26 0.40 2.61 2.01 -0.57 -3.74 115.64 118.90 1jdd s THR 328 Ca 0.00 -0.96 -0.21 0.00 0.31 0.00 0.00 61.69 60.83 1jdd s THR 328 Cb 0.00 -2.70 -0.11 0.00 0.01 0.00 0.00 72.50 69.71 1jdd s THR 328 CO 0.00 0.12 0.92 -2.16 -0.69 0.00 0.00 174.62 172.81 1jdd s PRO 329 N 1.38 4.27 -0.08 4.92 0.04 -1.26 -0.90 135.00 143.37 1jdd s PRO 329 Ca 0.00 1.10 0.03 0.00 0.04 0.00 0.00 61.00 62.18 1jdd s PRO 329 Cb -0.17 -2.33 0.01 0.00 0.04 0.00 0.00 34.50 32.05 1jdd s PRO 329 CO -0.02 0.05 -0.17 0.08 0.04 0.00 0.00 177.00 176.98 1jdd s VAL 330 N -2.05 1.51 -0.17 -0.36 1.01 0.85 -1.83 120.40 119.36 1jdd s VAL 330 Ca 0.59 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 61.81 1jdd s VAL 330 Cb -0.11 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1jdd s VAL 330 CO 0.15 0.44 0.03 -0.69 0.00 0.00 0.00 175.10 175.03 1jdd s VAL 331 N 0.48 4.45 -0.04 2.92 1.01 0.40 -4.29 120.40 125.32 1jdd s VAL 331 Ca -0.15 -0.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.37 1jdd s VAL 331 Cb -0.16 -2.99 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 1jdd s VAL 331 CO 0.06 0.47 1.15 -0.47 0.00 0.00 0.00 175.10 176.31 1jdd s TYR 332 N 0.40 3.32 0.19 5.22 5.04 -1.26 0.02 117.35 130.28 1jdd s TYR 332 Ca 0.00 1.33 -0.17 0.00 -2.44 0.00 0.00 57.07 55.79 1jdd s TYR 332 Cb -0.13 -3.36 0.17 0.00 0.35 0.00 0.00 41.96 38.99 1jdd s TYR 332 CO 0.01 -1.03 1.36 1.87 -1.34 0.00 0.00 175.55 176.42 1jdd n TRP 333 N 4.88 -0.04 -0.31 4.97 -0.00 -0.99 -1.55 117.44 124.40 1jdd n TRP 333 Ca 0.10 1.08 -0.01 0.00 -0.00 0.00 0.00 57.50 58.67 1jdd n TRP 333 Cb 0.47 -0.79 0.17 0.00 -0.00 0.00 0.00 31.31 31.17 1jdd n TRP 333 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 177.69 177.25 1jdd h ASP 334 N 0.00 1.02 -0.46 5.87 5.19 -1.87 0.35 116.42 126.52 1jdd h ASP 334 Ca 0.28 -0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 56.61 1jdd h ASP 334 Cb 0.50 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.74 1jdd h ASP 334 CO -0.86 0.73 0.06 0.45 -3.12 0.00 0.00 179.24 176.51 1jdd h HIS 335 N 1.20 0.83 0.31 4.55 3.86 -1.69 0.81 115.15 125.03 1jdd h HIS 335 Ca 0.33 -0.12 -0.02 0.00 -1.16 0.00 0.00 60.37 59.41 1jdd h HIS 335 Cb -0.12 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.13 1jdd h HIS 335 CO -0.00 0.78 -0.15 1.98 0.86 0.00 0.00 177.93 181.40 1jdd h MET 336 N 0.64 -0.41 0.00 2.45 1.85 -1.10 -2.43 114.93 115.92 1jdd h MET 336 Ca 0.14 0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.26 1jdd h MET 336 Cb 0.41 0.09 0.00 0.00 0.43 0.00 0.00 31.60 32.53 1jdd h MET 336 CO 0.01 -0.08 -0.95 0.66 -0.40 0.00 0.00 176.91 176.16 1jdd n TYR 337 N -5.11 0.00 -0.08 1.39 4.01 0.12 -3.51 117.16 113.98 1jdd n TYR 337 Ca -0.09 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.51 1jdd n TYR 337 Cb 0.27 -0.09 -0.06 0.00 -0.31 0.00 0.00 39.34 39.15 1jdd n TYR 337 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1jdd n ASP 338 N -1.52 1.88 -0.97 7.72 8.00 -0.83 -4.81 116.55 126.02 1jdd n ASP 338 Ca 0.01 0.07 0.10 0.00 0.71 0.00 0.00 54.79 55.69 1jdd n ASP 338 Cb 0.27 -0.37 0.27 0.00 -0.02 0.00 0.00 41.12 41.27 1jdd n ASP 338 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1jdd n TRP 339 N -3.38 0.55 -1.24 1.24 8.01 0.22 -5.00 117.44 117.84 1jdd n TRP 339 Ca -0.29 -0.27 -0.01 0.00 -1.31 0.00 0.00 57.50 55.61 1jdd n TRP 339 Cb 0.75 0.00 -0.00 0.00 -2.01 0.00 0.00 31.31 30.05 1jdd n TRP 339 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1jdd n GLY 340 N 1.37 0.44 0.76 6.99 0.00 -1.25 -4.93 105.19 108.57 1jdd n GLY 340 Ca 0.18 -1.00 0.12 0.00 0.00 0.00 0.00 46.02 45.33 1jdd n GLY 340 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1jdd n TYR 341 N -3.17 0.00 -0.19 1.61 4.01 -0.92 -4.57 117.16 113.92 1jdd n TYR 341 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1jdd n TYR 341 Cb 0.14 -0.01 0.09 0.00 -0.31 0.00 0.00 39.34 39.25 1jdd n TYR 341 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1jdd h GLY 342 N 4.77 0.61 0.97 2.72 0.00 -1.61 0.47 103.07 110.99 1jdd h GLY 342 Ca 0.00 0.09 -0.05 0.00 0.00 0.00 0.00 47.33 47.37 1jdd h GLY 342 CO 0.00 -0.19 0.09 -0.55 0.00 0.00 0.00 176.54 175.89 1jdd h ASP 343 N 0.11 0.73 -0.19 0.19 3.32 -1.87 0.15 116.42 118.86 1jdd h ASP 343 Ca 0.31 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 1jdd h ASP 343 Cb 0.49 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1jdd h ASP 343 CO -0.51 0.80 0.03 0.15 -1.72 0.00 0.00 179.24 177.98 1jdd h PHE 344 N 0.63 0.33 -0.59 4.55 3.57 -1.75 -2.15 116.94 121.54 1jdd h PHE 344 Ca 0.14 -0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 1jdd h PHE 344 Cb 0.37 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1jdd h PHE 344 CO 0.03 0.47 0.11 0.82 -2.23 0.00 0.00 178.31 177.50 1jdd h ILE 345 N 0.10 1.26 -0.40 1.41 2.04 0.13 -2.64 117.51 119.40 1jdd h ILE 345 Ca 0.06 -0.97 0.06 0.00 1.00 0.00 0.00 64.86 65.01 1jdd h ILE 345 Cb 0.32 0.74 -0.06 0.00 -0.74 0.00 0.00 36.82 37.09 1jdd h ILE 345 CO 0.00 0.36 0.07 -0.09 0.00 0.00 0.00 178.15 178.49 1jdd h ARG 346 N 0.87 0.19 -0.35 2.37 2.43 -0.59 0.65 114.38 119.95 1jdd h ARG 346 Ca 0.18 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.38 1jdd h ARG 346 Cb 0.40 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.87 1jdd h ARG 346 CO 0.01 0.13 0.12 1.96 -1.51 0.00 0.00 179.97 180.68 1jdd h GLN 347 N 0.20 0.26 -0.26 0.20 4.20 -1.18 -1.83 115.11 116.70 1jdd h GLN 347 Ca 0.20 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.83 1jdd h GLN 347 Cb 0.24 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1jdd h GLN 347 CO -0.26 0.17 -0.09 -0.07 -0.67 0.00 0.00 178.83 177.91 1jdd h LEU 348 N 0.27 0.39 -0.89 1.46 3.38 -0.99 -1.28 115.31 117.65 1jdd h LEU 348 Ca 0.16 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1jdd h LEU 348 Cb 0.13 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1jdd h LEU 348 CO -0.16 0.53 0.28 0.40 0.09 0.00 0.00 178.44 179.58 1jdd h ILE 349 N 0.39 1.25 -0.54 1.22 2.04 -0.12 -0.55 117.51 121.20 1jdd h ILE 349 Ca 0.08 -0.80 -0.11 0.00 1.00 0.00 0.00 64.86 65.03 1jdd h ILE 349 Cb 0.41 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1jdd h ILE 349 CO 0.02 0.32 -0.10 1.56 0.00 0.00 0.00 178.15 179.95 1jdd h GLN 350 N 1.06 1.02 -0.21 2.37 4.20 -0.73 -0.74 115.11 122.07 1jdd h GLN 350 Ca 0.24 -0.37 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 1jdd h GLN 350 Cb 0.22 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1jdd h GLN 350 CO -0.02 1.06 0.13 0.28 -0.67 0.00 0.00 178.83 179.60 1jdd h VAL 351 N 0.91 1.09 -0.44 -0.54 2.07 -0.86 0.11 116.25 118.58 1jdd h VAL 351 Ca 0.14 -0.23 0.04 0.00 0.82 0.00 0.00 66.70 67.48 1jdd h VAL 351 Cb 0.67 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 1jdd h VAL 351 CO 0.05 0.09 0.21 -0.09 0.02 0.00 0.00 177.57 177.84 1jdd h ARG 352 N 0.25 0.40 -0.29 1.57 2.43 -0.80 -0.31 114.38 117.64 1jdd h ARG 352 Ca 0.08 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.15 1jdd h ARG 352 Cb 0.03 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1jdd h ARG 352 CO -0.01 0.26 -0.11 0.00 -1.51 0.00 0.00 179.97 178.60 1jdd h ARG 353 N 0.41 0.58 -0.92 0.20 3.08 -0.88 -2.00 114.38 114.85 1jdd h ARG 353 Ca 0.20 -0.24 0.03 0.00 0.07 0.00 0.00 59.98 60.04 1jdd h ARG 353 Cb 0.13 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.10 1jdd h ARG 353 CO -0.16 0.80 0.61 0.00 -1.07 0.00 0.00 179.97 180.15 1jdd h ALA 354 N 0.76 1.40 0.00 0.04 0.00 -0.57 -2.20 119.26 118.70 1jdd h ALA 354 Ca 0.07 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1jdd h ALA 354 Cb 0.61 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1jdd h ALA 354 CO 0.04 0.52 -0.19 0.00 0.00 0.00 0.00 179.25 179.61 1jdd h ALA 355 N 1.46 0.92 -0.79 0.00 0.00 -0.95 -3.41 119.26 116.49 1jdd h ALA 355 Ca 0.36 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1jdd h ALA 355 Cb -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1jdd h ALA 355 CO -0.10 0.24 -0.09 0.41 0.00 0.00 0.00 179.25 179.71 1jdd n GLY 356 N 0.72 0.38 3.72 0.00 0.00 -0.79 -0.36 105.19 108.85 1jdd n GLY 356 Ca 0.02 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 1jdd n GLY 356 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jdd s VAL 357 N -2.40 4.40 0.39 1.61 1.01 -0.98 0.27 120.40 124.71 1jdd s VAL 357 Ca 0.02 1.82 0.04 0.00 0.00 0.00 0.00 61.98 63.87 1jdd s VAL 357 Cb -0.01 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 1jdd s VAL 357 CO 0.03 0.20 0.16 0.00 0.00 0.00 0.00 175.10 175.49 1jdd s ARG 358 N 0.61 1.88 0.27 2.72 1.70 -1.26 -4.86 118.95 120.01 1jdd s ARG 358 Ca 0.52 -2.13 0.01 0.00 -0.47 0.00 0.00 55.73 53.66 1jdd s ARG 358 Cb -0.25 -0.38 0.61 0.00 -0.57 0.00 0.00 34.95 34.36 1jdd s ARG 358 CO 0.30 -0.52 1.73 0.00 -1.08 0.00 0.00 175.30 175.73 1jdd h ALA 359 N 1.88 1.32 -0.61 7.88 0.00 -1.09 -2.12 119.26 126.53 1jdd h ALA 359 Ca -0.33 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1jdd h ALA 359 Cb 1.26 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1jdd h ALA 359 CO 0.52 -0.21 0.00 -0.40 0.00 0.00 0.00 179.25 179.16 1jdd n ASP 360 N -4.96 3.36 -4.73 0.00 5.75 -1.26 -0.80 116.55 113.91 1jdd n ASP 360 Ca 0.19 -1.99 -0.41 0.00 -0.01 0.00 0.00 54.79 52.57 1jdd n ASP 360 Cb 0.52 -0.41 0.01 0.00 -1.03 0.00 0.00 41.12 40.22 1jdd n ASP 360 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1jdd n SER 361 N 1.35 2.99 -4.78 -1.12 7.64 -0.79 -4.91 113.62 114.00 1jdd n SER 361 Ca 0.21 1.15 -0.37 0.00 1.01 0.00 0.00 58.87 60.87 1jdd n SER 361 Cb 0.54 -1.54 -0.04 0.00 -1.01 0.00 0.00 64.21 62.16 1jdd n SER 361 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jdd s ALA 362 N -1.17 3.13 -0.02 -0.43 0.00 -1.26 -4.55 121.76 117.47 1jdd s ALA 362 Ca 0.59 0.77 0.01 0.00 0.00 0.00 0.00 51.96 53.33 1jdd s ALA 362 Cb -0.50 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.34 1jdd s ALA 362 CO 0.60 -0.27 -0.01 -1.50 0.00 0.00 0.00 175.76 174.58 1jdd s ILE 363 N -1.55 0.19 -0.06 0.00 2.07 -1.26 -1.00 121.20 119.58 1jdd s ILE 363 Ca 0.56 0.04 0.05 0.00 -1.41 0.00 0.00 60.65 59.89 1jdd s ILE 363 Cb -0.25 -0.26 -0.00 0.00 0.13 0.00 0.00 42.46 42.08 1jdd s ILE 363 CO 0.31 0.13 -0.21 -0.44 -1.91 0.00 0.00 174.94 172.82 1jdd s SER 364 N 0.79 2.67 -0.04 4.50 0.01 -0.76 -4.93 113.70 115.94 1jdd s SER 364 Ca -0.08 -0.45 -0.00 0.00 1.31 0.00 0.00 55.95 56.73 1jdd s SER 364 Cb -0.11 -0.90 -0.03 0.00 0.21 0.00 0.00 66.02 65.19 1jdd s SER 364 CO -0.01 0.18 0.01 -0.36 0.41 0.00 0.00 173.24 173.46 1jdd s PHE 365 N 0.10 3.13 -0.26 2.43 0.40 -1.26 -0.87 117.98 121.63 1jdd s PHE 365 Ca -0.08 0.14 -0.04 0.00 -0.60 0.00 0.00 56.93 56.35 1jdd s PHE 365 Cb -0.14 -1.73 0.02 0.00 0.51 0.00 0.00 43.02 41.68 1jdd s PHE 365 CO 0.04 0.47 -0.00 -1.01 0.70 0.00 0.00 175.22 175.42 1jdd s HIS 366 N -1.01 3.09 0.37 0.36 3.76 0.39 -4.98 115.29 117.28 1jdd s HIS 366 Ca 0.17 -1.25 0.10 0.00 -0.15 0.00 0.00 55.06 53.92 1jdd s HIS 366 Cb -0.11 -2.14 0.74 0.00 1.11 0.00 0.00 32.58 32.17 1jdd s HIS 366 CO 0.07 -0.65 1.88 0.77 -0.85 0.00 0.00 174.74 175.96 1jdd h SER 367 N 8.11 0.20 0.14 1.40 0.02 -1.98 -3.35 113.55 118.09 1jdd h SER 367 Ca -0.33 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1jdd h SER 367 Cb 1.12 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.61 1jdd h SER 367 CO 0.59 0.41 -0.00 0.61 -1.14 0.00 0.00 176.83 177.30 1jdd n GLY 368 N -0.74 -1.05 3.63 -3.77 0.00 -1.26 -4.90 105.19 97.10 1jdd n GLY 368 Ca -0.01 -0.19 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 1jdd n GLY 368 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jdd s TYR 369 N -2.15 2.52 0.77 1.61 2.02 -1.26 -5.05 117.35 115.82 1jdd s TYR 369 Ca 0.43 -0.56 -0.09 0.00 -0.37 0.00 0.00 57.07 56.48 1jdd s TYR 369 Cb 0.22 -1.66 0.08 0.00 -0.40 0.00 0.00 41.96 40.20 1jdd s TYR 369 CO 0.39 0.43 1.11 -1.54 -1.57 0.00 0.00 175.55 174.37 1jdd s SER 370 N -3.73 4.50 0.74 2.29 1.04 -1.26 -4.89 113.70 112.39 1jdd s SER 370 Ca 0.36 0.53 0.00 0.00 0.48 0.00 0.00 55.95 57.32 1jdd s SER 370 Cb 0.05 -1.05 0.00 0.00 0.10 0.00 0.00 66.02 65.12 1jdd s SER 370 CO 0.19 -1.84 0.00 0.61 0.98 0.00 0.00 173.24 173.18 1jdd n GLY 371 N -3.16 0.63 3.49 7.32 0.00 -1.22 -4.06 105.19 108.19 1jdd n GLY 371 Ca 0.09 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 1jdd n GLY 371 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jdd s LEU 372 N 0.00 3.27 -0.11 0.99 1.98 -0.36 -4.32 118.68 120.14 1jdd s LEU 372 Ca 0.00 -0.14 -0.01 0.00 -2.89 0.00 0.00 54.13 51.09 1jdd s LEU 372 Cb 0.00 -1.80 0.03 0.00 0.66 0.00 0.00 46.19 45.07 1jdd s LEU 372 CO 0.00 0.13 -0.07 0.68 -1.89 0.00 0.00 176.35 175.21 1jdd s VAL 373 N 0.57 0.94 0.09 1.68 -7.23 -1.26 -0.74 120.40 114.44 1jdd s VAL 373 Ca -0.02 -0.23 0.04 0.00 -1.81 0.00 0.00 61.98 59.96 1jdd s VAL 373 Cb -0.14 -0.97 -0.03 0.00 0.56 0.00 0.00 36.38 35.79 1jdd s VAL 373 CO 0.02 0.35 -0.11 0.00 -0.31 0.00 0.00 175.10 175.05 1jdd s ALA 374 N 1.75 1.11 -0.24 1.32 0.00 -0.38 -0.46 121.76 124.85 1jdd s ALA 374 Ca 0.05 -1.10 -0.03 0.00 0.00 0.00 0.00 51.96 50.88 1jdd s ALA 374 Cb -0.12 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 22.99 1jdd s ALA 374 CO -0.08 0.04 -0.03 0.99 0.00 0.00 0.00 175.76 176.68 1jdd s THR 375 N -1.97 3.26 -0.15 0.00 2.01 -0.05 -1.16 115.64 117.57 1jdd s THR 375 Ca 0.02 -0.74 -0.02 0.00 0.31 0.00 0.00 61.69 61.26 1jdd s THR 375 Cb -0.06 -2.58 -0.02 0.00 0.01 0.00 0.00 72.50 69.85 1jdd s THR 375 CO 0.01 0.28 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.46 1jdd s VAL 376 N 1.42 3.52 -1.05 3.82 1.01 0.11 -1.82 120.40 127.42 1jdd s VAL 376 Ca 0.03 -0.48 -0.14 0.00 0.00 0.00 0.00 61.98 61.38 1jdd s VAL 376 Cb -0.16 -2.53 0.19 0.00 0.00 0.00 0.00 36.38 33.88 1jdd s VAL 376 CO -0.03 0.50 1.17 -0.44 0.00 0.00 0.00 175.10 176.30 1jdd s SER 377 N 0.49 6.94 0.77 3.32 0.01 -0.17 -0.00 113.70 125.05 1jdd s SER 377 Ca -0.06 -2.79 -0.11 0.00 1.31 0.00 0.00 55.95 54.31 1jdd s SER 377 Cb -0.15 -2.33 0.05 0.00 0.21 0.00 0.00 66.02 63.80 1jdd s SER 377 CO 0.03 -0.72 1.09 -0.83 0.41 0.00 0.00 173.24 173.22 1jdd s GLY 378 N 2.66 1.67 0.34 3.44 0.00 -0.49 -4.03 107.32 110.90 1jdd s GLY 378 Ca 0.33 0.20 0.11 0.00 0.00 0.00 0.00 44.72 45.37 1jdd s GLY 378 CO -0.06 0.55 1.75 1.48 0.00 0.00 0.00 173.10 176.83 1jdd h SER 379 N -1.09 0.03 0.02 1.64 4.64 0.11 -3.33 113.55 115.56 1jdd h SER 379 Ca -0.44 -0.01 -0.37 0.00 -0.47 0.00 0.00 61.79 60.50 1jdd h SER 379 Cb 1.23 -0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 63.26 1jdd h SER 379 CO 0.53 0.47 -2.07 0.00 -0.87 0.00 0.00 176.83 174.89 1jdd n GLN 380 N -4.01 0.61 -4.17 4.77 1.13 0.51 -4.98 117.38 111.25 1jdd n GLN 380 Ca -0.02 0.34 -0.11 0.00 -1.94 0.00 0.00 57.00 55.28 1jdd n GLN 380 Cb 0.47 -1.60 -0.10 0.00 0.11 0.00 0.00 30.24 29.12 1jdd n GLN 380 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1jdd s GLN 381 N -2.47 0.95 -0.05 -1.09 -0.21 0.05 -4.98 119.66 111.85 1jdd s GLN 381 Ca -0.33 -1.44 -0.10 0.00 0.02 0.00 0.00 55.36 53.51 1jdd s GLN 381 Cb 0.10 0.07 -0.05 0.00 1.00 0.00 0.00 33.01 34.14 1jdd s GLN 381 CO 0.57 -0.20 0.27 0.99 -2.12 0.00 0.00 175.29 174.80 1jdd s THR 382 N -3.91 5.29 0.01 -0.19 2.01 -1.26 -1.40 115.64 116.19 1jdd s THR 382 Ca 0.22 0.44 0.08 0.00 0.31 0.00 0.00 61.69 62.74 1jdd s THR 382 Cb 0.07 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 1jdd s THR 382 CO 0.01 0.56 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.51 1jdd s LEU 383 N -1.19 2.31 -0.18 4.42 1.02 0.99 -1.41 118.68 124.64 1jdd s LEU 383 Ca 0.21 -0.47 -0.00 0.00 0.02 0.00 0.00 54.13 53.88 1jdd s LEU 383 Cb -0.14 -1.39 0.01 0.00 0.02 0.00 0.00 46.19 44.69 1jdd s LEU 383 CO 0.10 0.29 -0.15 -0.69 0.02 0.00 0.00 176.35 175.92 1jdd s VAL 384 N -0.77 2.57 -0.15 -1.59 1.01 -0.11 0.07 120.40 121.44 1jdd s VAL 384 Ca 0.12 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.34 1jdd s VAL 384 Cb -0.10 -2.11 0.01 0.00 0.00 0.00 0.00 36.38 34.18 1jdd s VAL 384 CO 0.02 0.50 -0.21 -0.69 0.00 0.00 0.00 175.10 174.71 1jdd s VAL 385 N 1.19 2.04 -0.17 2.92 1.01 -0.31 -0.95 120.40 126.12 1jdd s VAL 385 Ca 0.02 -0.96 -0.00 0.00 0.00 0.00 0.00 61.98 61.03 1jdd s VAL 385 Cb -0.14 -1.81 0.04 0.00 0.00 0.00 0.00 36.38 34.47 1jdd s VAL 385 CO -0.06 0.54 -0.06 0.00 0.00 0.00 0.00 175.10 175.53 1jdd s ALA 386 N 0.90 1.51 -0.15 5.51 0.00 0.41 -1.25 121.76 128.69 1jdd s ALA 386 Ca -0.05 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.07 1jdd s ALA 386 Cb -0.15 -1.13 -0.00 0.00 0.00 0.00 0.00 23.12 21.84 1jdd s ALA 386 CO -0.04 -0.78 -0.16 -0.51 0.00 0.00 0.00 175.76 174.27 1jdd s LEU 387 N 1.62 2.43 -1.66 0.00 1.43 0.08 -2.04 118.68 120.54 1jdd s LEU 387 Ca 0.01 -0.48 -0.18 0.00 -1.03 0.00 0.00 54.13 52.44 1jdd s LEU 387 Cb -0.15 -1.54 0.15 0.00 0.03 0.00 0.00 46.19 44.67 1jdd s LEU 387 CO -0.08 0.09 0.79 0.59 0.23 0.00 0.00 176.35 177.98 1jdd n ASN 388 N 4.01 -3.49 -4.76 2.29 5.03 0.38 -1.22 115.26 117.50 1jdd n ASN 388 Ca -0.19 -0.95 -0.22 0.00 0.87 0.00 0.00 54.58 54.09 1jdd n ASN 388 Cb 0.52 -2.85 -0.05 0.00 -1.02 0.00 0.00 39.78 36.37 1jdd n ASN 388 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1jdd s SER 389 N -3.24 5.19 0.00 6.41 0.15 -1.26 -3.38 113.70 117.57 1jdd s SER 389 Ca 0.73 -0.38 0.25 0.00 0.70 0.00 0.00 55.95 57.24 1jdd s SER 389 Cb -0.39 -1.21 0.38 0.00 -1.71 0.00 0.00 66.02 63.09 1jdd s SER 389 CO 0.89 -0.02 1.35 -0.90 1.20 0.00 0.00 173.24 175.76 1jdd n ASP 390 N -1.06 2.28 -4.59 5.45 5.68 -1.26 -4.94 116.55 118.11 1jdd n ASP 390 Ca -0.07 -1.68 -0.48 0.00 -0.50 0.00 0.00 54.79 52.05 1jdd n ASP 390 Cb 0.58 0.12 -0.04 0.00 -1.14 0.00 0.00 41.12 40.64 1jdd n ASP 390 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 1jdd n LEU 391 N 0.61 1.69 -0.08 -2.12 7.94 -1.26 -4.91 117.00 118.86 1jdd n LEU 391 Ca 0.14 1.14 -0.11 0.00 -1.11 0.00 0.00 56.01 56.07 1jdd n LEU 391 Cb 0.50 -1.24 -0.06 0.00 0.53 0.00 0.00 43.42 43.14 1jdd n LEU 391 CO 0.19 -1.22 -0.25 1.23 -1.11 0.00 0.00 177.39 176.23 1jdd h GLY 392 N 3.41 0.00 -3.87 -3.96 0.00 -2.02 -3.49 103.07 93.14 1jdd h GLY 392 Ca -0.43 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.78 1jdd h GLY 392 CO 0.70 0.00 -0.48 0.54 0.00 0.00 0.00 176.54 177.30 1jdd s ASN 393 N -6.17 0.15 0.54 0.19 4.22 -1.26 -5.04 114.94 107.58 1jdd s ASN 393 Ca -0.18 -0.53 0.21 0.00 -2.14 0.00 0.00 52.86 50.22 1jdd s ASN 393 Cb 0.02 0.25 1.42 0.00 1.28 0.00 0.00 41.25 44.23 1jdd s ASN 393 CO 0.38 -0.55 2.14 1.55 -2.04 0.00 0.00 177.10 178.58 1jdd h PRO 394 N 3.49 0.00 0.00 3.55 0.13 -1.94 -2.08 132.00 135.15 1jdd h PRO 394 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1jdd h PRO 394 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1jdd h PRO 394 CO 0.51 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.69 1jdd n GLY 395 N -1.51 -1.15 0.24 1.56 0.00 -1.26 -1.56 105.19 101.51 1jdd n GLY 395 Ca -0.01 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.18 1jdd n GLY 395 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1jdd h GLN 396 N 0.00 0.00 0.00 1.61 4.20 -1.80 -3.33 115.11 115.79 1jdd h GLN 396 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1jdd h GLN 396 Cb 0.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.08 1jdd h GLN 396 CO 0.00 0.17 -0.04 1.55 -0.67 0.00 0.00 178.83 179.84 1jdd n VAL 397 N -3.36 0.00 -3.83 -0.54 3.14 -1.05 -5.07 118.33 107.61 1jdd n VAL 397 Ca -0.00 -0.34 -0.12 0.00 -2.96 0.00 0.00 64.34 60.92 1jdd n VAL 397 Cb 0.38 0.97 -0.11 0.00 -1.06 0.00 0.00 33.84 34.02 1jdd n VAL 397 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1jdd s ALA 398 N -0.76 -0.43 0.18 1.55 0.00 -0.60 -5.01 121.76 116.68 1jdd s ALA 398 Ca 0.00 0.18 -0.27 0.00 0.00 0.00 0.00 51.96 51.88 1jdd s ALA 398 Cb 0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 23.12 22.97 1jdd s ALA 398 CO 0.00 -0.17 0.82 0.45 0.00 0.00 0.00 175.76 176.87 1jdd s SER 399 N -0.78 7.46 0.00 0.00 0.15 -1.26 -4.12 113.70 115.15 1jdd s SER 399 Ca -0.09 1.72 0.00 0.00 0.70 0.00 0.00 55.95 58.29 1jdd s SER 399 Cb -0.05 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 1jdd s SER 399 CO 0.01 0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.25 1jdd n GLY 400 N 1.60 2.21 3.57 9.45 0.00 -1.26 -5.03 105.19 115.73 1jdd n GLY 400 Ca -0.04 -2.10 -0.39 0.00 0.00 0.00 0.00 46.02 43.49 1jdd n GLY 400 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jdd s SER 401 N 0.00 6.01 0.01 1.61 0.15 -1.26 -4.87 113.70 115.35 1jdd s SER 401 Ca 0.00 -0.15 0.05 0.00 0.70 0.00 0.00 55.95 56.55 1jdd s SER 401 Cb 0.00 -2.12 -0.03 0.00 -1.71 0.00 0.00 66.02 62.16 1jdd s SER 401 CO 0.00 -0.11 -0.14 -0.36 1.20 0.00 0.00 173.24 173.83 1jdd s PHE 402 N 1.74 2.68 0.10 3.44 0.08 -1.26 -4.20 117.98 120.57 1jdd s PHE 402 Ca 0.07 -0.18 0.10 0.00 0.12 0.00 0.00 56.93 57.04 1jdd s PHE 402 Cb -0.16 -1.54 -0.04 0.00 -0.57 0.00 0.00 43.02 40.71 1jdd s PHE 402 CO 0.11 0.27 -0.23 -1.12 -0.10 0.00 0.00 175.22 174.14 1jdd s SER 403 N -1.28 3.51 0.03 1.36 0.01 0.40 -4.91 113.70 112.81 1jdd s SER 403 Ca 0.15 -0.63 -0.30 0.00 1.31 0.00 0.00 55.95 56.47 1jdd s SER 403 Cb -0.11 -0.37 -0.07 0.00 0.21 0.00 0.00 66.02 65.69 1jdd s SER 403 CO 0.05 0.20 1.56 -0.70 0.41 0.00 0.00 173.24 174.76 1jdd s GLU 404 N -1.88 4.22 -0.18 12.44 2.12 -1.26 -0.90 118.70 133.26 1jdd s GLU 404 Ca 0.15 2.18 0.05 0.00 0.36 0.00 0.00 54.97 57.71 1jdd s GLU 404 Cb -0.10 -3.65 -0.15 0.00 0.26 0.00 0.00 34.13 30.49 1jdd s GLU 404 CO 0.06 -0.70 -0.10 0.00 -0.54 0.00 0.00 175.26 173.99 1jdd n ALA 405 N 5.75 1.59 -3.10 6.30 0.00 0.10 -4.89 120.51 126.26 1jdd n ALA 405 Ca 0.15 -0.90 -0.13 0.00 0.00 0.00 0.00 53.44 52.57 1jdd n ALA 405 Cb 0.42 0.01 -0.12 0.00 0.00 0.00 0.00 19.45 19.76 1jdd n ALA 405 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1jdd s VAL 406 N -2.39 0.00 -0.33 0.00 1.01 -0.53 -4.98 120.40 113.18 1jdd s VAL 406 Ca -0.20 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 61.78 1jdd s VAL 406 Cb 0.06 -0.31 0.16 0.00 0.00 0.00 0.00 36.38 36.29 1jdd s VAL 406 CO 0.51 -0.01 0.41 0.21 0.00 0.00 0.00 175.10 176.22 1jdd s ASN 407 N 0.06 0.50 0.31 3.32 3.04 -1.25 -1.42 114.94 119.50 1jdd s ASN 407 Ca -0.01 -0.80 0.04 0.00 0.04 0.00 0.00 52.86 52.14 1jdd s ASN 407 Cb -0.02 1.00 -0.06 0.00 -1.54 0.00 0.00 41.25 40.63 1jdd s ASN 407 CO 0.00 -0.31 0.03 0.00 -3.04 0.00 0.00 177.10 173.78 1jdd s ALA 408 N 2.14 2.32 -0.94 1.71 0.00 0.43 -4.84 121.76 122.57 1jdd s ALA 408 Ca 0.12 -2.00 -0.13 0.00 0.00 0.00 0.00 51.96 49.95 1jdd s ALA 408 Cb -0.12 0.53 0.02 0.00 0.00 0.00 0.00 23.12 23.55 1jdd s ALA 408 CO -0.20 -0.25 0.60 -1.13 0.00 0.00 0.00 175.76 174.78 1jdd n SER 409 N -0.64 -4.31 -3.87 0.00 3.41 -1.26 -1.26 113.62 105.68 1jdd n SER 409 Ca -0.03 -1.07 -0.29 0.00 -0.26 0.00 0.00 58.87 57.22 1jdd n SER 409 Cb 0.66 -1.52 0.03 0.00 -0.26 0.00 0.00 64.21 63.12 1jdd n SER 409 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1jdd n ASN 410 N -2.31 -4.57 0.00 4.04 4.13 -1.26 -0.97 115.26 114.32 1jdd n ASN 410 Ca -0.23 -0.76 0.00 0.00 1.68 0.00 0.00 54.58 55.26 1jdd n ASN 410 Cb 0.62 -4.00 0.00 0.00 -1.54 0.00 0.00 39.78 34.86 1jdd n ASN 410 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jdd n GLY 411 N -1.71 0.62 0.24 7.41 0.00 -0.90 -4.87 105.19 105.98 1jdd n GLY 411 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.13 1jdd n GLY 411 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1jdd h GLN 412 N 1.65 0.00 -4.91 1.61 4.20 -0.51 -3.38 115.11 113.78 1jdd h GLN 412 Ca 0.00 0.00 -0.67 0.00 0.06 0.00 0.00 58.65 58.04 1jdd h GLN 412 Cb 0.08 0.00 -0.36 0.00 0.30 0.00 0.00 27.48 27.51 1jdd h GLN 412 CO 0.00 0.19 -0.80 0.08 -0.67 0.00 0.00 178.83 177.63 1jdd s VAL 413 N -4.02 2.28 -0.02 -0.54 1.01 -0.39 -0.47 120.40 118.24 1jdd s VAL 413 Ca -0.02 -1.38 0.00 0.00 0.00 0.00 0.00 61.98 60.58 1jdd s VAL 413 Cb 0.12 -2.23 0.02 0.00 0.00 0.00 0.00 36.38 34.30 1jdd s VAL 413 CO 0.62 0.13 0.01 -0.13 0.00 0.00 0.00 175.10 175.72 1jdd s ARG 414 N 1.18 0.18 -0.04 2.72 0.52 -0.86 -0.43 118.95 122.22 1jdd s ARG 414 Ca -0.04 0.08 0.02 0.00 -0.52 0.00 0.00 55.73 55.27 1jdd s ARG 414 Cb -0.18 -0.36 0.01 0.00 0.52 0.00 0.00 34.95 34.94 1jdd s ARG 414 CO -0.07 -0.11 -0.07 0.08 0.02 0.00 0.00 175.30 175.15 1jdd s VAL 415 N 0.85 0.67 0.06 3.52 1.01 -0.51 -0.44 120.40 125.56 1jdd s VAL 415 Ca -0.08 -0.25 0.06 0.00 0.00 0.00 0.00 61.98 61.71 1jdd s VAL 415 Cb -0.11 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 1jdd s VAL 415 CO -0.02 0.23 -0.17 0.26 0.00 0.00 0.00 175.10 175.41 1jdd s TRP 416 N 0.54 1.48 0.07 5.22 0.51 -0.13 0.00 118.94 126.64 1jdd s TRP 416 Ca -0.08 -0.39 0.07 0.00 -2.12 0.00 0.00 56.10 53.58 1jdd s TRP 416 Cb -0.12 -0.85 -0.04 0.00 -0.81 0.00 0.00 33.47 31.65 1jdd s TRP 416 CO 0.01 0.09 -0.16 1.03 -0.51 0.00 0.00 176.95 177.41 1jdd s ARG 417 N -1.42 2.02 0.00 4.98 0.52 -0.08 -0.93 118.95 124.04 1jdd s ARG 417 Ca 0.03 -1.03 0.31 0.00 -0.52 0.00 0.00 55.73 54.52 1jdd s ARG 417 Cb -0.09 -2.21 1.85 0.00 0.52 0.00 0.00 34.95 35.02 1jdd s ARG 417 CO 0.02 0.52 2.18 -1.13 0.02 0.00 0.00 175.30 176.91