#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jdf s THR 6 N 0.00 4.71 -0.14 4.37 2.01 -1.26 -5.07 115.64 120.27 1jdf s THR 6 Ca 0.00 1.02 -0.14 0.00 0.31 0.00 0.00 61.69 62.88 1jdf s THR 6 Cb 0.00 -3.76 -0.05 0.00 0.01 0.00 0.00 72.50 68.70 1jdf s THR 6 CO 0.00 0.14 0.31 -0.89 -0.69 0.00 0.00 174.62 173.49 1jdf s THR 7 N -1.60 5.28 0.85 -0.82 2.01 -1.26 -5.07 115.64 115.04 1jdf s THR 7 Ca 0.43 0.60 -0.12 0.00 0.31 0.00 0.00 61.69 62.91 1jdf s THR 7 Cb -0.15 -3.64 0.10 0.00 0.01 0.00 0.00 72.50 68.82 1jdf s THR 7 CO 0.20 0.41 1.14 -2.65 -0.69 0.00 0.00 174.62 173.03 1jdf n PRO 8 N 3.33 -0.07 -5.01 4.92 -0.02 -1.26 -4.87 135.00 132.02 1jdf n PRO 8 Ca -0.12 0.06 -0.28 0.00 -2.02 0.00 0.00 63.50 61.14 1jdf n PRO 8 Cb 0.52 -2.39 -0.16 0.00 -0.02 0.00 0.00 33.50 31.45 1jdf n PRO 8 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1jdf s VAL 9 N -2.32 1.67 0.01 -1.45 1.01 -1.26 -2.35 120.40 115.72 1jdf s VAL 9 Ca 0.70 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 61.52 1jdf s VAL 9 Cb -0.27 -1.42 -0.06 0.00 0.00 0.00 0.00 36.38 34.63 1jdf s VAL 9 CO 0.54 0.47 1.52 -0.69 0.00 0.00 0.00 175.10 176.95 1jdf s VAL 10 N -0.12 3.48 -0.20 2.92 1.01 0.14 -1.04 120.40 126.59 1jdf s VAL 10 Ca -0.02 0.84 0.13 0.00 0.00 0.00 0.00 61.98 62.94 1jdf s VAL 10 Cb -0.12 -3.54 -0.22 0.00 0.00 0.00 0.00 36.38 32.51 1jdf s VAL 10 CO 0.02 -0.02 -0.00 0.35 0.00 0.00 0.00 175.10 175.45 1jdf n THR 11 N 4.84 1.34 -3.50 3.92 -2.24 0.38 0.83 114.28 119.84 1jdf n THR 11 Ca 0.15 -0.75 -0.12 0.00 -2.27 0.00 0.00 64.05 61.06 1jdf n THR 11 Cb 0.42 -0.70 -0.03 0.00 -2.10 0.00 0.00 70.33 67.92 1jdf n THR 11 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1jdf s GLU 12 N -2.47 1.19 -0.06 -0.78 -1.05 -1.20 -4.75 118.70 109.57 1jdf s GLU 12 Ca -0.15 -0.47 -0.16 0.00 -0.15 0.00 0.00 54.97 54.04 1jdf s GLU 12 Cb 0.06 0.54 0.03 0.00 -0.44 0.00 0.00 34.13 34.33 1jdf s GLU 12 CO 0.73 -0.49 0.37 1.41 0.95 0.00 0.00 175.26 178.24 1jdf s MET 13 N -3.49 0.64 -0.00 -4.83 1.75 -1.26 -1.16 119.30 110.94 1jdf s MET 13 Ca 0.00 0.10 -0.20 0.00 -1.25 0.00 0.00 55.69 54.34 1jdf s MET 13 Cb -0.00 0.29 0.04 0.00 2.84 0.00 0.00 34.83 38.00 1jdf s MET 13 CO -0.10 -0.15 0.44 1.14 -0.65 0.00 0.00 175.02 175.69 1jdf s GLN 14 N -0.79 0.86 -0.09 4.11 -2.07 -0.57 -5.00 119.66 116.10 1jdf s GLN 14 Ca -0.09 -0.13 0.03 0.00 -1.82 0.00 0.00 55.36 53.35 1jdf s GLN 14 Cb -0.04 0.39 -0.02 0.00 -1.09 0.00 0.00 33.01 32.25 1jdf s GLN 14 CO 0.04 -0.27 -0.17 0.54 -1.32 0.00 0.00 175.29 174.11 1jdf s VAL 15 N -1.68 2.78 -0.19 3.63 0.11 -1.26 -1.62 120.40 122.17 1jdf s VAL 15 Ca -0.10 -0.79 0.00 0.00 -2.93 0.00 0.00 61.98 58.16 1jdf s VAL 15 Cb -0.02 -2.11 0.05 0.00 -1.53 0.00 0.00 36.38 32.77 1jdf s VAL 15 CO 0.03 0.56 -0.07 -0.63 -3.33 0.00 0.00 175.10 171.66 1jdf s ILE 16 N -0.12 1.37 0.15 7.04 1.01 0.05 -4.95 121.20 125.74 1jdf s ILE 16 Ca -0.03 -0.88 -0.30 0.00 0.00 0.00 0.00 60.65 59.44 1jdf s ILE 16 Cb -0.14 -1.53 -0.07 0.00 0.01 0.00 0.00 42.46 40.72 1jdf s ILE 16 CO 0.04 0.09 1.22 -2.16 0.00 0.00 0.00 174.94 174.13 1jdf s PRO 17 N 1.51 4.45 0.14 2.79 0.04 -1.26 -1.51 135.00 141.17 1jdf s PRO 17 Ca -0.01 1.87 0.02 0.00 0.04 0.00 0.00 61.00 62.92 1jdf s PRO 17 Cb -0.16 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 1jdf s PRO 17 CO -0.08 -0.17 -0.04 0.14 0.04 0.00 0.00 177.00 176.89 1jdf s VAL 18 N 0.37 0.80 0.05 -0.36 -7.23 -0.49 -4.20 120.40 109.34 1jdf s VAL 18 Ca 0.56 -1.98 0.02 0.00 -1.81 0.00 0.00 61.98 58.77 1jdf s VAL 18 Cb -0.32 -1.91 -0.03 0.00 0.56 0.00 0.00 36.38 34.68 1jdf s VAL 18 CO 0.34 -0.67 -0.08 0.00 -0.31 0.00 0.00 175.10 174.38 1jdf s ALA 19 N -3.57 0.64 0.36 1.32 0.00 0.17 -1.78 121.76 118.90 1jdf s ALA 19 Ca 0.18 -0.83 0.04 0.00 0.00 0.00 0.00 51.96 51.35 1jdf s ALA 19 Cb 0.05 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 1jdf s ALA 19 CO 0.00 -0.03 0.16 0.20 0.00 0.00 0.00 175.76 176.10 1jdf s GLY 20 N -1.71 2.35 -0.02 0.00 0.00 -0.03 -4.63 107.32 103.27 1jdf s GLY 20 Ca -0.08 -1.59 -0.09 0.00 0.00 0.00 0.00 44.72 42.96 1jdf s GLY 20 CO 0.00 -1.69 0.28 0.30 0.00 0.00 0.00 173.10 172.00 1jdf s HIS 21 N -3.39 3.62 0.05 1.90 3.76 -1.26 -1.49 115.29 118.48 1jdf s HIS 21 Ca 0.31 0.69 0.00 0.00 -0.15 0.00 0.00 55.06 55.92 1jdf s HIS 21 Cb 0.04 -2.07 -0.03 0.00 1.11 0.00 0.00 32.58 31.62 1jdf s HIS 21 CO 0.18 0.65 -0.05 0.34 -0.85 0.00 0.00 174.74 175.01 1jdf s ASP 22 N -1.36 0.66 0.81 1.40 2.15 -0.30 -4.77 116.67 115.26 1jdf s ASP 22 Ca 0.24 -0.82 -0.10 0.00 0.43 0.00 0.00 52.55 52.30 1jdf s ASP 22 Cb -0.14 0.13 0.12 0.00 -0.30 0.00 0.00 42.92 42.73 1jdf s ASP 22 CO 0.12 -0.44 1.15 -0.44 -0.17 0.00 0.00 175.17 175.39 1jdf s SER 23 N -2.42 4.09 -1.45 -0.34 0.01 -1.26 -4.57 113.70 107.76 1jdf s SER 23 Ca 0.00 0.31 -0.10 0.00 1.31 0.00 0.00 55.95 57.47 1jdf s SER 23 Cb 0.00 -0.68 0.04 0.00 0.21 0.00 0.00 66.02 65.60 1jdf s SER 23 CO -0.05 -2.09 2.40 0.80 0.41 0.00 0.00 173.24 174.71 1jdf n MET 24 N -3.27 3.55 -2.15 12.44 1.56 -1.26 -4.62 117.12 123.37 1jdf n MET 24 Ca 0.12 -2.82 -0.42 0.00 -0.27 0.00 0.00 57.70 54.31 1jdf n MET 24 Cb 0.60 -2.96 -0.03 0.00 2.15 0.00 0.00 33.22 32.98 1jdf n MET 24 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1jdf s LEU 25 N 0.40 4.32 0.04 -0.89 1.43 -1.26 -1.03 118.68 121.68 1jdf s LEU 25 Ca 0.53 2.17 -0.18 0.00 -1.03 0.00 0.00 54.13 55.63 1jdf s LEU 25 Cb 0.15 -3.55 -0.06 0.00 0.03 0.00 0.00 46.19 42.75 1jdf s LEU 25 CO -0.06 -0.79 0.50 -0.04 0.23 0.00 0.00 176.35 176.19 1jdf s MET 26 N 2.81 4.10 0.35 1.70 -1.94 -0.73 -1.21 119.30 124.38 1jdf s MET 26 Ca 0.67 0.60 -0.12 0.00 -1.71 0.00 0.00 55.69 55.12 1jdf s MET 26 Cb -0.32 -3.24 0.03 0.00 2.01 0.00 0.00 34.83 33.30 1jdf s MET 26 CO 0.27 0.63 0.67 0.54 -0.01 0.00 0.00 175.02 177.12 1jdf s ASN 27 N -1.00 0.22 0.33 3.03 6.03 -0.04 -4.50 114.94 119.01 1jdf s ASN 27 Ca 0.27 -1.16 0.07 0.00 -1.03 0.00 0.00 52.86 51.01 1jdf s ASN 27 Cb -0.18 0.76 0.75 0.00 -3.03 0.00 0.00 41.25 39.55 1jdf s ASN 27 CO 0.16 -1.49 1.84 0.25 -2.03 0.00 0.00 177.10 175.83 1jdf h LEU 28 N 2.05 0.74 0.00 3.54 5.85 -1.68 0.39 115.31 126.20 1jdf h LEU 28 Ca -0.29 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.49 1jdf h LEU 28 Cb 1.25 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1jdf h LEU 28 CO 0.38 0.35 0.00 -1.20 -0.34 0.00 0.00 178.44 177.62 1jdf n SER 29 N -4.62 0.00 0.00 1.25 7.64 -1.26 -4.38 113.62 112.24 1jdf n SER 29 Ca 0.20 -0.28 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1jdf n SER 29 Cb 0.49 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 1jdf n SER 29 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jdf n GLY 30 N 0.65 0.24 3.08 0.23 0.00 0.12 -3.85 105.19 105.66 1jdf n GLY 30 Ca 0.13 -1.47 -0.26 0.00 0.00 0.00 0.00 46.02 44.42 1jdf n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jdf s ALA 31 N -1.60 1.46 0.35 4.61 0.00 -0.63 -0.87 121.76 125.08 1jdf s ALA 31 Ca 0.00 -0.56 -0.29 0.00 0.00 0.00 0.00 51.96 51.11 1jdf s ALA 31 Cb 0.00 -0.59 -0.12 0.00 0.00 0.00 0.00 23.12 22.41 1jdf s ALA 31 CO 0.00 0.18 1.47 0.72 0.00 0.00 0.00 175.76 178.13 1jdf n HIS 32 N 3.62 2.80 -1.30 0.00 8.25 -0.35 -4.35 115.22 123.89 1jdf n HIS 32 Ca -0.21 0.42 -0.29 0.00 -0.26 0.00 0.00 57.72 57.38 1jdf n HIS 32 Cb 0.52 -2.52 0.15 0.00 1.12 0.00 0.00 29.99 29.26 1jdf n HIS 32 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jdf s ALA 33 N -0.81 1.43 0.52 -1.41 0.00 -1.26 -4.46 121.76 115.76 1jdf s ALA 33 Ca 0.57 -0.30 0.35 0.00 0.00 0.00 0.00 51.96 52.58 1jdf s ALA 33 Cb -0.51 -3.12 1.91 0.00 0.00 0.00 0.00 23.12 21.41 1jdf s ALA 33 CO 0.59 -2.47 2.22 -1.35 0.00 0.00 0.00 175.76 174.76 1jdf h PRO 34 N -1.63 0.00 -5.25 0.00 0.11 -1.88 -3.42 132.00 119.93 1jdf h PRO 34 Ca -0.52 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.07 1jdf h PRO 34 Cb 1.31 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 32.12 1jdf h PRO 34 CO 0.58 0.03 -0.83 -0.06 -0.21 0.00 0.00 178.00 177.51 1jdf s PHE 35 N -4.22 1.51 0.19 0.65 0.08 -1.26 -1.15 117.98 113.78 1jdf s PHE 35 Ca -0.04 -0.38 0.08 0.00 0.12 0.00 0.00 56.93 56.71 1jdf s PHE 35 Cb 0.13 -1.01 -0.04 0.00 -0.57 0.00 0.00 43.02 41.53 1jdf s PHE 35 CO 0.50 -0.11 -0.01 -0.59 -0.10 0.00 0.00 175.22 174.91 1jdf s PHE 36 N -0.06 2.79 0.19 0.36 -0.71 -0.56 -4.91 117.98 115.08 1jdf s PHE 36 Ca -0.01 -0.16 0.11 0.00 -1.04 0.00 0.00 56.93 55.83 1jdf s PHE 36 Cb -0.09 -1.33 -0.04 0.00 -1.21 0.00 0.00 43.02 40.34 1jdf s PHE 36 CO 0.01 0.53 -0.23 0.95 -1.34 0.00 0.00 175.22 175.15 1jdf s THR 37 N -1.84 2.22 0.14 -4.49 -4.23 -1.26 -0.85 115.64 105.32 1jdf s THR 37 Ca 0.28 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.69 1jdf s THR 37 Cb -0.09 -2.05 -0.00 0.00 1.34 0.00 0.00 72.50 71.70 1jdf s THR 37 CO 0.18 -0.16 0.28 -0.13 -0.54 0.00 0.00 174.62 174.25 1jdf s ARG 38 N -2.68 1.06 -0.13 3.99 1.81 -0.73 -2.10 118.95 120.16 1jdf s ARG 38 Ca 0.19 -1.04 0.02 0.00 -1.72 0.00 0.00 55.73 53.18 1jdf s ARG 38 Cb -0.07 0.38 0.00 0.00 -0.45 0.00 0.00 34.95 34.81 1jdf s ARG 38 CO 0.09 -0.38 -0.20 -0.80 -0.68 0.00 0.00 175.30 173.33 1jdf s ASN 39 N -2.91 3.29 -0.16 0.23 -0.87 0.32 -1.39 114.94 113.45 1jdf s ASN 39 Ca 0.11 -0.54 -0.07 0.00 -1.57 0.00 0.00 52.86 50.79 1jdf s ASN 39 Cb 0.03 -1.47 -0.04 0.00 -0.02 0.00 0.00 41.25 39.75 1jdf s ASN 39 CO -0.05 0.11 0.08 -0.63 -2.57 0.00 0.00 177.10 174.04 1jdf s ILE 40 N 0.66 5.00 -0.09 0.60 -1.09 -0.57 -1.59 121.20 124.12 1jdf s ILE 40 Ca -0.10 0.03 -0.01 0.00 -2.23 0.00 0.00 60.65 58.34 1jdf s ILE 40 Cb -0.16 -3.22 -0.03 0.00 -1.58 0.00 0.00 42.46 37.47 1jdf s ILE 40 CO 0.02 0.51 -0.05 -0.69 -1.23 0.00 0.00 174.94 173.50 1jdf s VAL 41 N -0.08 3.87 -0.07 2.92 1.01 0.33 -0.77 120.40 127.61 1jdf s VAL 41 Ca 0.08 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 1jdf s VAL 41 Cb -0.12 -2.62 0.03 0.00 0.00 0.00 0.00 36.38 33.67 1jdf s VAL 41 CO 0.01 0.57 -0.00 -0.63 0.00 0.00 0.00 175.10 175.05 1jdf s ILE 42 N -0.52 0.39 -0.03 2.22 1.01 -0.64 -1.31 121.20 122.32 1jdf s ILE 42 Ca 0.08 0.10 0.05 0.00 0.00 0.00 0.00 60.65 60.89 1jdf s ILE 42 Cb -0.12 -0.54 -0.01 0.00 0.01 0.00 0.00 42.46 41.80 1jdf s ILE 42 CO 0.02 0.26 -0.19 -0.63 0.00 0.00 0.00 174.94 174.40 1jdf s ILE 43 N 1.91 1.53 0.19 2.92 1.01 -0.34 -1.51 121.20 126.91 1jdf s ILE 43 Ca 0.04 -0.81 0.09 0.00 0.00 0.00 0.00 60.65 59.98 1jdf s ILE 43 Cb -0.12 -1.29 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 1jdf s ILE 43 CO -0.05 0.44 -0.19 -0.54 0.00 0.00 0.00 174.94 174.59 1jdf s LYS 44 N -0.28 1.36 0.28 2.79 1.02 -0.31 -0.34 119.74 124.26 1jdf s LYS 44 Ca 0.03 -1.48 0.04 0.00 0.02 0.00 0.00 55.97 54.58 1jdf s LYS 44 Cb -0.09 -1.44 -0.06 0.00 -0.52 0.00 0.00 37.83 35.72 1jdf s LYS 44 CO 0.00 0.29 0.02 0.16 -0.92 0.00 0.00 175.35 174.90 1jdf s ASP 45 N -2.81 2.21 0.00 2.83 3.84 -1.07 -0.47 116.67 121.19 1jdf s ASP 45 Ca 0.19 -1.29 0.05 0.00 -0.00 0.00 0.00 52.55 51.50 1jdf s ASP 45 Cb -0.06 -0.06 0.31 0.00 -1.38 0.00 0.00 42.92 41.74 1jdf s ASP 45 CO 0.08 -0.53 0.75 -0.46 -0.00 0.00 0.00 175.17 175.02 1jdf n ASN 46 N -0.56 0.00 -0.85 2.11 0.23 -0.20 -2.02 115.26 113.97 1jdf n ASN 46 Ca -0.04 -0.75 0.12 0.00 -0.53 0.00 0.00 54.58 53.39 1jdf n ASN 46 Cb 0.65 0.00 0.22 0.00 -2.08 0.00 0.00 39.78 38.57 1jdf n ASN 46 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1jdf n SER 47 N -0.68 2.63 0.00 0.53 3.41 -1.26 -4.93 113.62 113.32 1jdf n SER 47 Ca 0.04 -1.87 0.00 0.00 -0.26 0.00 0.00 58.87 56.78 1jdf n SER 47 Cb 0.02 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 1jdf n SER 47 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jdf n GLY 48 N 1.31 0.53 3.76 5.00 0.00 -0.85 -5.06 105.19 109.88 1jdf n GLY 48 Ca 0.16 -0.87 -0.25 0.00 0.00 0.00 0.00 46.02 45.06 1jdf n GLY 48 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jdf s HIS 49 N -2.00 3.05 -0.06 1.61 3.76 -1.25 -5.00 115.29 115.41 1jdf s HIS 49 Ca 0.00 -0.07 0.03 0.00 -0.15 0.00 0.00 55.06 54.87 1jdf s HIS 49 Cb 0.00 -1.45 0.01 0.00 1.11 0.00 0.00 32.58 32.25 1jdf s HIS 49 CO 0.00 0.52 -0.14 0.99 -0.85 0.00 0.00 174.74 175.26 1jdf s THR 50 N -1.83 1.23 0.03 1.30 2.01 -1.26 -2.61 115.64 114.50 1jdf s THR 50 Ca 0.30 -0.56 0.07 0.00 0.31 0.00 0.00 61.69 61.81 1jdf s THR 50 Cb -0.09 -1.10 -0.03 0.00 0.01 0.00 0.00 72.50 71.29 1jdf s THR 50 CO 0.22 0.37 -0.20 -0.83 -0.69 0.00 0.00 174.62 173.49 1jdf s GLY 51 N 0.41 1.50 0.12 4.40 0.00 0.54 -4.78 107.32 109.51 1jdf s GLY 51 Ca -0.11 -1.18 0.05 0.00 0.00 0.00 0.00 44.72 43.49 1jdf s GLY 51 CO 0.03 -1.05 -0.13 -1.34 0.00 0.00 0.00 173.10 170.62 1jdf s VAL 52 N -0.84 1.24 0.07 1.40 -7.23 -1.26 -1.20 120.40 112.58 1jdf s VAL 52 Ca 0.13 -1.77 -0.09 0.00 -1.81 0.00 0.00 61.98 58.44 1jdf s VAL 52 Cb -0.10 -1.56 0.00 0.00 0.56 0.00 0.00 36.38 35.28 1jdf s VAL 52 CO 0.03 -0.50 0.20 -0.83 -0.31 0.00 0.00 175.10 173.69 1jdf s GLY 53 N -2.58 0.06 -0.02 2.32 0.00 -0.43 -3.22 107.32 103.45 1jdf s GLY 53 Ca 0.10 -0.48 -0.00 0.00 0.00 0.00 0.00 44.72 44.34 1jdf s GLY 53 CO 0.02 -0.66 0.03 1.85 0.00 0.00 0.00 173.10 174.34 1jdf s GLU 54 N -3.35 -0.02 0.17 2.90 2.12 -1.26 -0.52 118.70 118.74 1jdf s GLU 54 Ca 0.01 0.14 -0.05 0.00 0.36 0.00 0.00 54.97 55.43 1jdf s GLU 54 Cb 0.03 -0.17 -0.03 0.00 0.26 0.00 0.00 34.13 34.22 1jdf s GLU 54 CO -0.08 -0.12 0.19 0.96 -0.54 0.00 0.00 175.26 175.67 1jdf s ILE 55 N 0.75 0.05 0.58 -3.70 -4.36 -0.62 -4.75 121.20 109.14 1jdf s ILE 55 Ca -0.06 -1.74 -0.18 0.00 -0.26 0.00 0.00 60.65 58.41 1jdf s ILE 55 Cb -0.09 -2.15 -0.10 0.00 1.25 0.00 0.00 42.46 41.38 1jdf s ILE 55 CO -0.02 -0.22 0.35 -2.65 0.24 0.00 0.00 174.94 172.64 1jdf n PRO 56 N -0.21 0.36 -2.11 0.37 -0.02 -1.26 -0.52 135.00 131.60 1jdf n PRO 56 Ca -0.03 0.14 -0.27 0.00 -2.02 0.00 0.00 63.50 61.32 1jdf n PRO 56 Cb 0.64 -1.54 0.07 0.00 -0.02 0.00 0.00 33.50 32.65 1jdf n PRO 56 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1jdf s GLY 57 N -1.17 1.65 0.00 -1.23 0.00 -0.89 -3.71 107.32 101.97 1jdf s GLY 57 Ca 0.65 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 44.57 1jdf s GLY 57 CO 0.58 -0.38 0.00 0.61 0.00 0.00 0.00 173.10 173.91 1jdf n GLY 58 N -3.02 4.76 0.26 0.20 0.00 -1.26 -4.57 105.19 101.57 1jdf n GLY 58 Ca 0.08 -1.05 0.01 0.00 0.00 0.00 0.00 46.02 45.06 1jdf n GLY 58 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1jdf h GLU 59 N 0.00 0.39 -0.41 1.61 4.57 -1.92 -0.99 114.58 117.83 1jdf h GLU 59 Ca 0.00 -0.08 -0.03 0.00 -1.18 0.00 0.00 59.36 58.07 1jdf h GLU 59 Cb 0.00 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.51 1jdf h GLU 59 CO 0.00 0.45 0.15 0.87 -1.18 0.00 0.00 179.01 179.30 1jdf h LYS 60 N 0.38 0.62 -0.28 1.92 1.57 -1.98 0.73 116.57 119.53 1jdf h LYS 60 Ca 0.08 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1jdf h LYS 60 Cb 0.30 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1jdf h LYS 60 CO 0.01 0.60 0.02 0.82 -0.57 0.00 0.00 179.45 180.34 1jdf h ILE 61 N 0.52 1.24 0.19 1.86 2.04 -1.81 -0.04 117.51 121.51 1jdf h ILE 61 Ca 0.14 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.14 1jdf h ILE 61 Cb 0.22 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 1jdf h ILE 61 CO -0.01 0.27 -0.17 -0.09 0.00 0.00 0.00 178.15 178.16 1jdf h ARG 62 N 0.28 -0.36 -0.70 2.37 2.43 -1.04 -0.96 114.38 116.41 1jdf h ARG 62 Ca 0.08 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1jdf h ARG 62 Cb 0.38 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.97 1jdf h ARG 62 CO 0.01 -0.24 0.46 -0.22 -1.51 0.00 0.00 179.97 178.47 1jdf h LYS 63 N -0.37 0.91 -0.53 0.20 1.63 -0.81 -0.96 116.57 116.64 1jdf h LYS 63 Ca -0.00 -0.05 -0.05 0.00 -0.85 0.00 0.00 60.65 59.69 1jdf h LYS 63 Cb 0.34 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 31.74 1jdf h LYS 63 CO -0.03 0.60 0.13 1.15 -3.45 0.00 0.00 179.45 177.85 1jdf h THR 64 N 0.94 1.22 -0.66 1.00 2.02 -0.79 0.63 112.91 117.27 1jdf h THR 64 Ca 0.26 -0.79 -0.05 0.00 0.77 0.00 0.00 66.41 66.59 1jdf h THR 64 Cb -0.10 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 1jdf h THR 64 CO -0.06 0.30 0.21 -0.07 0.37 0.00 0.00 175.52 176.27 1jdf h LEU 65 N 0.78 0.95 -0.24 2.58 3.38 -0.53 -1.58 115.31 120.64 1jdf h LEU 65 Ca 0.17 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1jdf h LEU 65 Cb 0.28 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1jdf h LEU 65 CO -0.00 0.90 0.09 -0.08 0.09 0.00 0.00 178.44 179.44 1jdf h GLU 66 N 0.95 0.37 -0.08 1.13 4.81 -0.36 -2.16 114.58 119.23 1jdf h GLU 66 Ca 0.21 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.39 1jdf h GLU 66 Cb 0.28 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 1jdf h GLU 66 CO -0.01 0.43 0.07 -0.44 -0.73 0.00 0.00 179.01 178.33 1jdf h ASP 67 N 0.23 0.00 1.75 1.04 3.45 -0.69 -2.22 116.42 119.98 1jdf h ASP 67 Ca 0.08 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.54 1jdf h ASP 67 Cb 0.20 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.97 1jdf h ASP 67 CO -0.00 0.00 -0.02 0.00 -1.57 0.00 0.00 179.24 177.64 1jdf h ALA 68 N 1.94 0.99 -0.85 3.45 0.00 -0.63 -3.38 119.26 120.79 1jdf h ALA 68 Ca 0.04 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.11 1jdf h ALA 68 Cb 0.17 -0.00 -0.16 0.00 0.00 0.00 0.00 17.79 17.80 1jdf h ALA 68 CO -0.00 0.03 -0.16 0.82 0.00 0.00 0.00 179.25 179.94 1jdf h ILE 69 N 0.00 0.17 -0.05 0.00 2.04 -1.19 -0.03 117.51 118.45 1jdf h ILE 69 Ca -0.00 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.87 1jdf h ILE 69 Cb 0.90 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1jdf h ILE 69 CO 0.00 0.00 0.08 -0.65 0.00 0.00 0.00 178.15 177.59 1jdf h PRO 70 N 0.02 0.00 0.00 2.37 0.11 -1.81 -0.47 132.00 132.22 1jdf h PRO 70 Ca 0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.54 1jdf h PRO 70 Cb 0.69 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.80 1jdf h PRO 70 CO -0.85 0.00 -0.45 1.28 -0.21 0.00 0.00 178.00 177.78 1jdf n LEU 71 N -3.50 0.60 -0.11 2.35 4.77 -0.03 -4.37 117.00 116.71 1jdf n LEU 71 Ca -0.02 0.26 -0.19 0.00 -0.03 0.00 0.00 56.01 56.03 1jdf n LEU 71 Cb 0.17 -0.25 -0.06 0.00 -2.33 0.00 0.00 43.42 40.95 1jdf n LEU 71 CO 0.24 -0.03 -1.06 0.52 -1.33 0.00 0.00 177.39 175.73 1jdf n VAL 72 N -1.94 1.43 -1.73 4.08 0.31 -0.30 -4.89 118.33 115.30 1jdf n VAL 72 Ca 0.04 -0.14 -0.42 0.00 -0.01 0.00 0.00 64.34 63.82 1jdf n VAL 72 Cb 0.41 -2.03 -0.01 0.00 -0.91 0.00 0.00 33.84 31.29 1jdf n VAL 72 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1jdf n VAL 73 N -4.25 1.75 -0.58 2.52 0.31 -0.53 -2.31 118.33 115.25 1jdf n VAL 73 Ca -0.34 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.55 1jdf n VAL 73 Cb 0.70 -1.79 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 1jdf n VAL 73 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jdf n GLY 74 N 0.99 0.78 3.91 2.92 0.00 0.24 -4.92 105.19 109.12 1jdf n GLY 74 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1jdf n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jdf s LYS 75 N -0.42 3.44 0.39 1.61 -0.14 -0.98 -4.77 119.74 118.88 1jdf s LYS 75 Ca 0.00 -0.39 -0.15 0.00 -1.36 0.00 0.00 55.97 54.07 1jdf s LYS 75 Cb 0.00 -3.06 -0.09 0.00 -1.68 0.00 0.00 37.83 33.01 1jdf s LYS 75 CO 0.00 0.63 0.82 0.95 -0.76 0.00 0.00 175.35 176.99 1jdf s THR 76 N -1.44 4.63 0.51 2.17 -4.23 -1.26 0.28 115.64 116.30 1jdf s THR 76 Ca 0.32 1.00 0.25 0.00 -1.18 0.00 0.00 61.69 62.08 1jdf s THR 76 Cb -0.13 -3.65 0.42 0.00 1.34 0.00 0.00 72.50 70.47 1jdf s THR 76 CO 0.24 -0.36 1.94 -0.07 -0.54 0.00 0.00 174.62 175.83 1jdf h LEU 77 N 1.75 0.10 -1.11 4.79 3.38 -1.80 0.73 115.31 123.15 1jdf h LEU 77 Ca -0.48 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1jdf h LEU 77 Cb 1.18 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1jdf h LEU 77 CO 0.64 0.05 0.00 1.23 0.09 0.00 0.00 178.44 180.44 1jdf h GLY 78 N 0.10 0.00 -1.61 0.83 0.00 -1.92 -2.20 103.07 98.26 1jdf h GLY 78 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1jdf h GLY 78 CO -0.04 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.68 1jdf n GLU 79 N -2.38 2.16 -0.36 4.80 1.02 0.25 -4.53 120.64 121.60 1jdf n GLU 79 Ca 0.01 -1.74 0.28 0.00 -0.02 0.00 0.00 57.16 55.69 1jdf n GLU 79 Cb 0.18 -1.47 0.58 0.00 -0.02 0.00 0.00 31.44 30.71 1jdf n GLU 79 CO 0.00 0.00 0.00 0.10 1.18 0.00 0.00 177.13 178.41 1jdf h TYR 80 N 3.66 0.53 -0.15 -0.32 -0.00 -1.49 0.12 116.97 119.32 1jdf h TYR 80 Ca 0.00 0.02 -0.18 0.00 0.00 0.00 0.00 58.73 58.57 1jdf h TYR 80 Cb 0.80 -0.15 0.01 0.00 0.00 0.00 0.00 36.73 37.39 1jdf h TYR 80 CO 0.13 -0.02 -0.62 0.87 -0.00 0.00 0.00 178.16 178.53 1jdf h LYS 81 N 0.26 0.68 0.00 0.10 1.57 -1.85 -1.67 116.57 115.66 1jdf h LYS 81 Ca 0.65 -0.53 -0.08 0.00 -1.87 0.00 0.00 60.65 58.81 1jdf h LYS 81 Cb 1.90 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 34.30 1jdf h LYS 81 CO -0.29 1.15 -0.40 -0.91 -0.57 0.00 0.00 179.45 178.43 1jdf h ASN 82 N 0.36 0.00 -0.16 0.86 2.35 -1.30 -2.30 115.58 115.38 1jdf h ASN 82 Ca -0.04 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.61 1jdf h ASN 82 Cb 1.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.62 1jdf h ASN 82 CO 0.13 0.40 -0.30 0.58 -1.65 0.00 0.00 177.43 176.59 1jdf h VAL 83 N 0.00 1.35 -0.65 2.81 2.07 -0.78 -1.10 116.25 119.95 1jdf h VAL 83 Ca -0.00 -1.54 -0.04 0.00 0.82 0.00 0.00 66.70 65.93 1jdf h VAL 83 Cb 0.74 1.94 -0.03 0.00 -1.52 0.00 0.00 31.29 32.42 1jdf h VAL 83 CO 0.05 0.47 0.23 -0.07 0.02 0.00 0.00 177.57 178.27 1jdf h LEU 84 N 0.13 0.90 -0.60 2.57 3.38 -1.16 0.30 115.31 120.83 1jdf h LEU 84 Ca 0.01 -0.14 -0.15 0.00 0.09 0.00 0.00 57.88 57.69 1jdf h LEU 84 Cb 0.89 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1jdf h LEU 84 CO 0.07 0.82 -0.65 0.74 0.09 0.00 0.00 178.44 179.51 1jdf h THR 85 N 0.95 1.41 -0.22 0.22 2.02 -1.41 -1.42 112.91 114.46 1jdf h THR 85 Ca 0.22 -2.11 -0.04 0.00 0.77 0.00 0.00 66.41 65.24 1jdf h THR 85 Cb 0.23 2.10 -0.01 0.00 -1.74 0.00 0.00 68.15 68.74 1jdf h THR 85 CO -0.01 0.62 -0.01 0.25 0.37 0.00 0.00 175.52 176.73 1jdf h LEU 86 N 0.14 0.40 -0.42 2.58 5.85 -0.52 -1.11 115.31 122.22 1jdf h LEU 86 Ca -0.01 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1jdf h LEU 86 Cb 1.18 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 1jdf h LEU 86 CO 0.10 0.63 0.27 0.58 -0.34 0.00 0.00 178.44 179.67 1jdf h VAL 87 N 0.16 1.12 0.04 1.05 2.07 -0.87 -1.41 116.25 118.41 1jdf h VAL 87 Ca 0.06 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.35 1jdf h VAL 87 Cb 0.43 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1jdf h VAL 87 CO 0.01 0.12 -0.08 -0.09 0.02 0.00 0.00 177.57 177.55 1jdf h ARG 88 N 0.56 -0.15 -0.64 1.57 2.43 -1.13 -2.49 114.38 114.53 1jdf h ARG 88 Ca 0.15 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1jdf h ARG 88 Cb -0.04 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 1jdf h ARG 88 CO -0.03 -0.10 0.40 -0.91 -1.51 0.00 0.00 179.97 177.82 1jdf h ASN 89 N -0.16 0.75 0.08 -3.80 2.35 -1.09 -0.95 115.58 112.76 1jdf h ASN 89 Ca 0.02 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 1jdf h ASN 89 Cb 0.17 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 1jdf h ASN 89 CO -0.05 0.57 -0.09 0.74 -1.65 0.00 0.00 177.43 176.95 1jdf h THR 90 N 0.87 1.08 0.00 2.81 2.02 -1.06 -3.19 112.91 115.43 1jdf h THR 90 Ca 0.23 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1jdf h THR 90 Cb -0.06 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1jdf h THR 90 CO -0.05 0.10 -0.02 0.49 0.37 0.00 0.00 175.52 176.42 1jdf n PHE 91 N -4.42 0.00 -0.28 3.16 3.72 -0.95 -4.83 117.46 113.85 1jdf n PHE 91 Ca -0.02 -0.74 0.10 0.00 -0.05 0.00 0.00 57.45 56.73 1jdf n PHE 91 Cb 0.17 -0.10 0.25 0.00 -0.94 0.00 0.00 39.48 38.86 1jdf n PHE 91 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1jdf h ALA 92 N 0.00 1.19 0.00 4.37 0.00 -1.17 -2.03 119.26 121.63 1jdf h ALA 92 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1jdf h ALA 92 Cb 0.82 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1jdf h ALA 92 CO 0.00 -0.36 0.04 0.38 0.00 0.00 0.00 179.25 179.31 1jdf h ASP 93 N 0.31 0.00 0.72 0.00 2.03 -1.88 -1.93 116.42 115.67 1jdf h ASP 93 Ca 0.49 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.79 1jdf h ASP 93 Cb 0.91 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.41 1jdf h ASP 93 CO -0.55 0.00 0.00 0.54 -1.03 0.00 0.00 179.24 178.20 1jdf n ARG 94 N -2.49 0.02 -0.59 4.15 1.74 -0.76 -2.27 116.66 116.46 1jdf n ARG 94 Ca -0.02 0.13 0.06 0.00 -0.77 0.00 0.00 57.85 57.25 1jdf n ARG 94 Cb 0.09 -1.50 0.28 0.00 -1.02 0.00 0.00 32.46 30.31 1jdf n ARG 94 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1jdf n ASP 95 N -1.49 4.14 -0.24 0.55 10.43 -0.73 -4.54 116.55 124.68 1jdf n ASP 95 Ca 0.05 -3.08 0.01 0.00 2.57 0.00 0.00 54.79 54.35 1jdf n ASP 95 Cb 0.25 -0.59 0.13 0.00 1.84 0.00 0.00 41.12 42.75 1jdf n ASP 95 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1jdf h ALA 96 N 2.14 0.94 0.00 2.24 0.00 -1.60 -1.88 119.26 121.10 1jdf h ALA 96 Ca 0.04 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1jdf h ALA 96 Cb 1.62 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1jdf h ALA 96 CO 0.32 -0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.89 1jdf n GLY 97 N -1.30 -1.18 6.77 0.00 0.00 -1.26 -5.00 105.19 103.22 1jdf n GLY 97 Ca 0.11 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1jdf n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jdf n GLY 98 N -0.27 -1.83 0.34 -0.02 0.00 -0.71 -4.37 105.19 98.33 1jdf n GLY 98 Ca 0.01 -1.40 -0.02 0.00 0.00 0.00 0.00 46.02 44.62 1jdf n GLY 98 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1jdf h ARG 99 N 0.00 0.99 0.00 1.61 2.43 -1.92 -3.35 114.38 114.15 1jdf h ARG 99 Ca 0.00 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1jdf h ARG 99 Cb 0.00 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.36 1jdf h ARG 99 CO 0.00 0.74 0.00 0.41 -1.51 0.00 0.00 179.97 179.61 1jdf n GLY 100 N -1.17 -2.84 0.38 2.80 0.00 -1.26 -0.84 105.19 102.26 1jdf n GLY 100 Ca 0.07 -1.84 0.06 0.00 0.00 0.00 0.00 46.02 44.31 1jdf n GLY 100 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jdf n LEU 101 N 0.00 1.66 -4.51 0.99 4.77 -1.26 -4.95 117.00 113.71 1jdf n LEU 101 Ca 0.00 -0.86 -0.30 0.00 -0.03 0.00 0.00 56.01 54.83 1jdf n LEU 101 Cb 0.00 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.34 1jdf n LEU 101 CO 0.00 0.32 0.55 -1.10 -1.33 0.00 0.00 177.39 175.82 1jdf s GLN 102 N -1.40 -1.45 0.32 3.23 -1.52 -1.26 -4.91 119.66 112.67 1jdf s GLN 102 Ca 0.12 0.21 0.26 0.00 -1.95 0.00 0.00 55.36 54.00 1jdf s GLN 102 Cb 0.10 -1.54 0.80 0.00 -0.22 0.00 0.00 33.01 32.15 1jdf s GLN 102 CO 0.26 -3.92 1.75 1.79 -0.25 0.00 0.00 175.29 174.92 1jdf h THR 103 N -2.74 0.00 -3.67 -0.19 1.35 -1.95 -3.44 112.91 102.28 1jdf h THR 103 Ca -0.49 -0.57 -0.67 0.00 -0.55 0.00 0.00 66.41 64.13 1jdf h THR 103 Cb 1.32 1.51 -0.18 0.00 -1.73 0.00 0.00 68.15 69.08 1jdf h THR 103 CO 0.39 0.00 -0.76 0.72 -0.25 0.00 0.00 175.52 175.61 1jdf s PHE 104 N -3.24 2.67 0.07 4.73 -0.12 -1.26 -5.03 117.98 115.79 1jdf s PHE 104 Ca 0.07 -0.19 -0.31 0.00 -0.05 0.00 0.00 56.93 56.45 1jdf s PHE 104 Cb 0.09 -1.42 -0.06 0.00 -0.63 0.00 0.00 43.02 41.00 1jdf s PHE 104 CO 0.57 0.39 1.32 0.34 -0.05 0.00 0.00 175.22 177.79 1jdf s ASP 105 N -2.02 6.92 0.00 1.98 3.68 -1.26 -4.87 116.67 121.10 1jdf s ASP 105 Ca 0.19 2.16 0.18 0.00 2.13 0.00 0.00 52.55 57.20 1jdf s ASP 105 Cb -0.11 -2.58 0.50 0.00 -1.45 0.00 0.00 42.92 39.28 1jdf s ASP 105 CO 0.11 -0.60 1.42 0.18 0.13 0.00 0.00 175.17 176.40 1jdf n LEU 106 N 4.29 2.93 -4.74 -1.34 4.77 -0.02 -4.97 117.00 117.93 1jdf n LEU 106 Ca 0.11 -1.44 -0.30 0.00 -0.03 0.00 0.00 56.01 54.35 1jdf n LEU 106 Cb 0.44 -0.35 0.13 0.00 -2.33 0.00 0.00 43.42 41.31 1jdf n LEU 106 CO 0.57 0.72 0.68 -0.13 -1.33 0.00 0.00 177.39 177.90 1jdf s ARG 107 N -1.30 1.47 0.09 3.23 0.52 -1.26 -4.95 118.95 116.75 1jdf s ARG 107 Ca 0.37 0.81 0.00 0.00 -0.52 0.00 0.00 55.73 56.39 1jdf s ARG 107 Cb 0.19 -1.83 0.00 0.00 0.52 0.00 0.00 34.95 33.83 1jdf s ARG 107 CO 0.26 -2.09 0.00 2.41 0.02 0.00 0.00 175.30 175.89 1jdf n THR 108 N -3.78 0.87 -0.23 0.02 -1.04 -1.26 -4.78 114.28 104.08 1jdf n THR 108 Ca 0.07 0.29 0.02 0.00 -2.04 0.00 0.00 64.05 62.38 1jdf n THR 108 Cb 0.55 -1.36 0.26 0.00 -1.82 0.00 0.00 70.33 67.96 1jdf n THR 108 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1jdf h THR 109 N 0.00 1.15 -0.22 12.58 2.02 -1.86 -1.47 112.91 125.12 1jdf h THR 109 Ca 0.00 -0.34 -0.05 0.00 0.77 0.00 0.00 66.41 66.79 1jdf h THR 109 Cb 0.00 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.47 1jdf h THR 109 CO 0.00 0.18 -0.08 -0.29 0.37 0.00 0.00 175.52 175.70 1jdf h ILE 110 N 0.99 1.18 -0.26 3.11 6.09 -1.93 -0.54 117.51 126.16 1jdf h ILE 110 Ca 0.30 -0.77 -0.11 0.00 -1.37 0.00 0.00 64.86 62.90 1jdf h ILE 110 Cb -0.03 1.11 -0.00 0.00 0.47 0.00 0.00 36.82 38.37 1jdf h ILE 110 CO -0.08 0.25 -0.28 0.45 -3.07 0.00 0.00 178.15 175.43 1jdf h HIS 111 N 0.32 0.78 -0.24 2.19 3.86 -1.48 -2.67 115.15 117.91 1jdf h HIS 111 Ca 0.07 -0.24 0.03 0.00 -1.16 0.00 0.00 60.37 59.07 1jdf h HIS 111 Cb 0.35 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.63 1jdf h HIS 111 CO 0.01 0.97 0.05 0.28 0.86 0.00 0.00 177.93 180.09 1jdf h VAL 112 N 0.36 0.88 -0.46 2.45 2.07 -0.60 -2.10 116.25 118.86 1jdf h VAL 112 Ca 0.04 -0.05 0.07 0.00 0.82 0.00 0.00 66.70 67.58 1jdf h VAL 112 Cb 0.84 0.73 -0.06 0.00 -1.52 0.00 0.00 31.29 31.29 1jdf h VAL 112 CO 0.07 0.03 0.11 0.58 0.02 0.00 0.00 177.57 178.37 1jdf h VAL 113 N 0.14 0.77 -0.85 2.57 2.07 -1.09 -1.84 116.25 118.02 1jdf h VAL 113 Ca 0.11 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.57 1jdf h VAL 113 Cb 0.11 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 1jdf h VAL 113 CO -0.15 0.05 0.56 0.74 0.02 0.00 0.00 177.57 178.79 1jdf h THR 114 N 0.25 1.17 -0.73 2.57 2.02 -1.08 0.63 112.91 117.73 1jdf h THR 114 Ca 0.22 -0.38 -0.04 0.00 0.77 0.00 0.00 66.41 66.98 1jdf h THR 114 Cb 0.28 -0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.63 1jdf h THR 114 CO -0.28 0.20 0.28 1.23 0.37 0.00 0.00 175.52 177.32 1jdf h GLY 115 N 1.10 1.19 1.80 2.16 0.00 -0.69 0.76 103.07 109.39 1jdf h GLY 115 Ca 0.33 -0.65 -0.17 0.00 0.00 0.00 0.00 47.33 46.83 1jdf h GLY 115 CO -0.09 0.62 -0.76 -2.22 0.00 0.00 0.00 176.54 174.09 1jdf h ILE 116 N 1.06 1.46 -0.05 2.60 2.04 -1.10 -2.97 117.51 120.54 1jdf h ILE 116 Ca 0.24 -2.37 -0.01 0.00 1.00 0.00 0.00 64.86 63.73 1jdf h ILE 116 Cb 0.23 2.28 -0.00 0.00 -0.74 0.00 0.00 36.82 38.58 1jdf h ILE 116 CO -0.02 0.69 0.01 -0.08 0.00 0.00 0.00 178.15 178.75 1jdf h GLU 117 N 0.12 0.09 -0.60 2.37 4.81 -0.40 0.00 114.58 120.97 1jdf h GLU 117 Ca -0.03 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.23 1jdf h GLU 117 Cb 1.33 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.65 1jdf h GLU 117 CO 0.11 0.32 0.32 0.00 -0.73 0.00 0.00 179.01 179.03 1jdf h ALA 118 N 0.76 0.78 -0.41 2.92 0.00 -0.89 0.76 119.26 123.18 1jdf h ALA 118 Ca 0.02 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1jdf h ALA 118 Cb 0.28 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1jdf h ALA 118 CO 0.00 -0.02 -0.19 0.00 0.00 0.00 0.00 179.25 179.05 1jdf h ALA 119 N 1.32 0.58 -0.21 0.00 0.00 -1.44 -1.53 119.26 117.98 1jdf h ALA 119 Ca 0.27 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1jdf h ALA 119 Cb 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1jdf h ALA 119 CO -0.17 0.53 -0.02 0.52 0.00 0.00 0.00 179.25 180.11 1jdf h MET 120 N 0.67 0.38 0.00 0.00 2.07 -0.65 -1.82 114.93 115.58 1jdf h MET 120 Ca 0.09 -0.13 -0.04 0.00 -2.07 0.00 0.00 59.70 57.55 1jdf h MET 120 Cb 0.74 -0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 30.44 1jdf h MET 120 CO 0.06 0.60 -0.18 -0.07 1.07 0.00 0.00 176.91 178.38 1jdf h LEU 121 N 0.13 0.00 -0.57 1.22 3.38 -0.85 0.52 115.31 119.13 1jdf h LEU 121 Ca 0.06 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 1jdf h LEU 121 Cb 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1jdf h LEU 121 CO 0.01 0.18 -0.39 -0.78 0.09 0.00 0.00 178.44 177.56 1jdf h ASP 122 N 0.00 0.75 -0.08 -0.43 3.58 -1.07 0.49 116.42 119.67 1jdf h ASP 122 Ca -0.00 -0.34 -0.18 0.00 0.42 0.00 0.00 57.03 56.93 1jdf h ASP 122 Cb 0.33 -0.21 0.01 0.00 1.72 0.00 0.00 39.33 41.18 1jdf h ASP 122 CO 0.02 1.06 -0.65 -0.07 -2.88 0.00 0.00 179.24 176.72 1jdf h LEU 123 N 0.58 0.71 -0.70 2.28 3.38 -0.36 -2.64 115.31 118.57 1jdf h LEU 123 Ca 0.05 -0.67 -0.02 0.00 0.09 0.00 0.00 57.88 57.32 1jdf h LEU 123 Cb 0.93 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1jdf h LEU 123 CO 0.08 1.28 0.34 0.25 0.09 0.00 0.00 178.44 180.48 1jdf h LEU 124 N 0.20 0.91 -0.71 1.67 5.85 0.10 -1.34 115.31 121.99 1jdf h LEU 124 Ca -0.06 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.46 1jdf h LEU 124 Cb 1.31 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 1jdf h LEU 124 CO 0.13 0.78 0.18 1.23 -0.34 0.00 0.00 178.44 180.43 1jdf h GLY 125 N 0.97 1.22 1.31 3.75 0.00 -0.94 -0.52 103.07 108.86 1jdf h GLY 125 Ca 0.24 -0.76 -0.09 0.00 0.00 0.00 0.00 47.33 46.72 1jdf h GLY 125 CO -0.03 0.71 -0.06 1.46 0.00 0.00 0.00 176.54 178.61 1jdf h GLN 126 N 1.07 0.83 -0.18 4.80 4.20 -1.20 0.96 115.11 125.60 1jdf h GLN 126 Ca 0.22 -0.26 -0.18 0.00 0.06 0.00 0.00 58.65 58.49 1jdf h GLN 126 Cb 0.36 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 1jdf h GLN 126 CO 0.00 0.87 -0.63 1.25 -0.67 0.00 0.00 178.83 179.66 1jdf h HIS 127 N 0.76 0.81 -0.01 2.96 2.76 -0.96 -3.20 115.15 118.28 1jdf h HIS 127 Ca 0.14 -0.32 0.00 0.00 -2.20 0.00 0.00 60.37 57.99 1jdf h HIS 127 Cb 0.55 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.36 1jdf h HIS 127 CO 0.03 1.09 -0.26 1.28 -1.30 0.00 0.00 177.93 178.77 1jdf n LEU 128 N -3.94 0.86 -0.29 0.26 4.77 -0.23 -4.96 117.00 113.48 1jdf n LEU 128 Ca -0.04 -0.18 -0.04 0.00 -0.03 0.00 0.00 56.01 55.72 1jdf n LEU 128 Cb 0.66 -0.15 -0.01 0.00 -2.33 0.00 0.00 43.42 41.58 1jdf n LEU 128 CO 0.49 0.17 -0.03 0.61 -1.33 0.00 0.00 177.39 177.29 1jdf n GLY 129 N 1.35 0.61 3.27 -0.72 0.00 0.20 -5.04 105.19 104.86 1jdf n GLY 129 Ca 0.12 -0.90 -0.16 0.00 0.00 0.00 0.00 46.02 45.08 1jdf n GLY 129 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jdf s VAL 130 N -2.14 1.36 0.70 1.61 -7.23 -0.39 -4.62 120.40 109.69 1jdf s VAL 130 Ca 0.00 -2.02 -0.11 0.00 -1.81 0.00 0.00 61.98 58.04 1jdf s VAL 130 Cb 0.00 -1.82 0.01 0.00 0.56 0.00 0.00 36.38 35.13 1jdf s VAL 130 CO 0.00 -0.63 1.06 0.54 -0.31 0.00 0.00 175.10 175.76 1jdf s ASN 131 N -3.03 5.44 0.29 4.85 6.03 -1.25 -1.44 114.94 125.83 1jdf s ASN 131 Ca 0.16 1.49 0.00 0.00 -1.03 0.00 0.00 52.86 53.48 1jdf s ASN 131 Cb -0.00 -2.37 0.52 0.00 -3.03 0.00 0.00 41.25 36.36 1jdf s ASN 131 CO 0.03 -1.39 1.89 0.58 -2.03 0.00 0.00 177.10 176.18 1jdf h VAL 132 N -0.68 1.04 -1.00 3.54 2.07 -1.55 -1.51 116.25 118.16 1jdf h VAL 132 Ca -0.44 -0.36 0.21 0.00 0.82 0.00 0.00 66.70 66.93 1jdf h VAL 132 Cb 1.22 -0.10 -0.11 0.00 -1.52 0.00 0.00 31.29 30.78 1jdf h VAL 132 CO 0.59 0.19 0.60 0.00 0.02 0.00 0.00 177.57 178.96 1jdf h ALA 133 N 1.50 1.71 0.00 1.67 0.00 -1.85 0.27 119.26 122.56 1jdf h ALA 133 Ca 0.42 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1jdf h ALA 133 Cb 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1jdf h ALA 133 CO -0.17 -0.15 0.00 0.43 0.00 0.00 0.00 179.25 179.36 1jdf n SER 134 N -4.83 0.68 -0.58 0.00 7.64 -0.57 -2.78 113.62 113.18 1jdf n SER 134 Ca 0.25 0.64 0.13 0.00 1.01 0.00 0.00 58.87 60.90 1jdf n SER 134 Cb 0.65 -0.80 0.25 0.00 -1.01 0.00 0.00 64.21 63.30 1jdf n SER 134 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1jdf n LEU 135 N -2.22 1.97 -4.64 -3.43 4.77 0.93 -4.43 117.00 109.94 1jdf n LEU 135 Ca 0.03 -0.66 -0.32 0.00 -0.03 0.00 0.00 56.01 55.03 1jdf n LEU 135 Cb 0.27 -0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.24 1jdf n LEU 135 CO 0.22 0.34 -0.35 -0.76 -1.33 0.00 0.00 177.39 175.51 1jdf s LEU 136 N -2.20 3.35 0.00 2.23 1.43 -1.12 -4.97 118.68 117.40 1jdf s LEU 136 Ca 0.28 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 1jdf s LEU 136 Cb 0.20 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.48 1jdf s LEU 136 CO 0.41 0.27 0.00 0.61 0.23 0.00 0.00 176.35 177.87 1jdf n GLY 137 N 1.39 2.33 1.44 -3.19 0.00 -1.26 -0.59 105.19 105.31 1jdf n GLY 137 Ca -0.15 0.39 0.02 0.00 0.00 0.00 0.00 46.02 46.29 1jdf n GLY 137 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jdf n ASP 138 N 5.83 4.29 0.00 1.61 10.43 -1.26 -5.07 116.55 132.38 1jdf n ASP 138 Ca 0.00 -3.18 0.00 0.00 2.57 0.00 0.00 54.79 54.18 1jdf n ASP 138 Cb 0.00 -0.65 0.00 0.00 1.84 0.00 0.00 41.12 42.31 1jdf n ASP 138 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1jdf n GLY 139 N -0.31 -3.72 3.73 0.44 0.00 0.24 -4.93 105.19 100.64 1jdf n GLY 139 Ca 0.30 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 1jdf n GLY 139 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jdf s GLN 140 N -0.96 4.29 -0.06 1.61 0.74 -1.20 -4.52 119.66 119.56 1jdf s GLN 140 Ca 0.00 2.22 0.11 0.00 0.05 0.00 0.00 55.36 57.74 1jdf s GLN 140 Cb 0.00 -3.17 -0.17 0.00 1.10 0.00 0.00 33.01 30.78 1jdf s GLN 140 CO 0.00 -0.44 0.17 1.04 -0.55 0.00 0.00 175.29 175.51 1jdf n GLN 141 N 3.17 1.14 -3.96 1.67 1.13 0.13 -4.98 117.38 115.69 1jdf n GLN 141 Ca 0.10 -0.07 -0.08 0.00 -1.94 0.00 0.00 57.00 55.01 1jdf n GLN 141 Cb 0.41 -1.29 -0.08 0.00 0.11 0.00 0.00 30.24 29.38 1jdf n GLN 141 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 1jdf s ARG 142 N -2.60 0.76 0.00 -1.09 1.70 -1.10 -5.00 118.95 111.63 1jdf s ARG 142 Ca -0.05 -1.09 0.18 0.00 -0.47 0.00 0.00 55.73 54.31 1jdf s ARG 142 Cb 0.06 0.29 -0.06 0.00 -0.57 0.00 0.00 34.95 34.66 1jdf s ARG 142 CO 0.48 -0.21 0.90 -1.13 -1.08 0.00 0.00 175.30 174.26 1jdf n SER 143 N 0.00 1.52 -3.77 -2.89 3.41 -1.26 -4.85 113.62 105.78 1jdf n SER 143 Ca -0.14 -1.26 -0.13 0.00 -0.26 0.00 0.00 58.87 57.08 1jdf n SER 143 Cb 0.62 0.63 -0.09 0.00 -0.26 0.00 0.00 64.21 65.10 1jdf n SER 143 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1jdf s GLU 144 N -2.30 0.57 -0.14 4.33 -1.05 -1.26 -0.58 118.70 118.27 1jdf s GLU 144 Ca 0.13 -0.02 0.02 0.00 -0.15 0.00 0.00 54.97 54.94 1jdf s GLU 144 Cb 0.15 0.26 0.00 0.00 -0.44 0.00 0.00 34.13 34.10 1jdf s GLU 144 CO 0.55 -0.14 -0.19 0.08 0.95 0.00 0.00 175.26 176.51 1jdf s VAL 145 N -0.90 2.36 -0.03 1.83 1.01 0.93 -4.91 120.40 120.68 1jdf s VAL 145 Ca -0.10 -0.88 -0.27 0.00 0.00 0.00 0.00 61.98 60.73 1jdf s VAL 145 Cb -0.05 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 1jdf s VAL 145 CO 0.03 0.53 0.87 -0.70 0.00 0.00 0.00 175.10 175.83 1jdf s GLU 146 N 0.74 4.50 0.15 2.72 2.12 -1.26 -0.99 118.70 126.68 1jdf s GLU 146 Ca -0.08 1.19 0.07 0.00 0.36 0.00 0.00 54.97 56.52 1jdf s GLU 146 Cb -0.16 -3.46 -0.04 0.00 0.26 0.00 0.00 34.13 30.73 1jdf s GLU 146 CO 0.00 -0.02 -0.03 -1.64 -0.54 0.00 0.00 175.26 173.04 1jdf s MET 147 N 1.00 2.35 0.24 4.30 -1.94 0.10 -0.93 119.30 124.42 1jdf s MET 147 Ca 0.46 -1.06 0.06 0.00 -1.71 0.00 0.00 55.69 53.43 1jdf s MET 147 Cb -0.19 -2.36 -0.03 0.00 2.01 0.00 0.00 34.83 34.25 1jdf s MET 147 CO 0.23 0.48 0.31 -0.48 -0.01 0.00 0.00 175.02 175.55 1jdf s LEU 148 N -2.70 4.17 -0.31 -0.03 0.05 -0.04 -4.67 118.68 115.14 1jdf s LEU 148 Ca 0.26 -0.02 -0.22 0.00 0.05 0.00 0.00 54.13 54.19 1jdf s LEU 148 Cb -0.10 -2.71 -0.00 0.00 -2.05 0.00 0.00 46.19 41.33 1jdf s LEU 148 CO 0.17 -0.06 0.74 -0.83 -0.55 0.00 0.00 176.35 175.82 1jdf s GLY 149 N -3.92 1.73 -0.79 -3.48 0.00 0.27 -4.49 107.32 96.64 1jdf s GLY 149 Ca 0.34 -0.50 -0.21 0.00 0.00 0.00 0.00 44.72 44.35 1jdf s GLY 149 CO 0.28 1.66 1.05 -0.47 0.00 0.00 0.00 173.10 175.61 1jdf s TYR 150 N 2.85 2.87 0.30 1.90 6.14 -1.26 -1.19 117.35 128.97 1jdf s TYR 150 Ca 0.30 -0.94 -0.19 0.00 0.64 0.00 0.00 57.07 56.88 1jdf s TYR 150 Cb -0.14 -4.30 -0.09 0.00 0.42 0.00 0.00 41.96 37.85 1jdf s TYR 150 CO 0.12 -1.58 0.79 -0.51 0.64 0.00 0.00 175.55 175.01 1jdf s LEU 151 N 3.46 4.17 0.06 6.97 1.43 0.23 -4.98 118.68 130.02 1jdf s LEU 151 Ca 0.27 1.45 0.01 0.00 -1.03 0.00 0.00 54.13 54.83 1jdf s LEU 151 Cb -0.11 -3.97 -0.03 0.00 0.03 0.00 0.00 46.19 42.10 1jdf s LEU 151 CO 0.01 -0.13 -0.05 -0.36 0.23 0.00 0.00 176.35 176.05 1jdf s PHE 152 N -1.81 0.60 0.14 0.29 0.08 -1.26 -1.15 117.98 114.86 1jdf s PHE 152 Ca 0.51 -0.80 -0.28 0.00 0.12 0.00 0.00 56.93 56.48 1jdf s PHE 152 Cb -0.13 -0.39 -0.07 0.00 -0.57 0.00 0.00 43.02 41.86 1jdf s PHE 152 CO 0.19 -0.22 0.87 -0.06 -0.10 0.00 0.00 175.22 175.90 1jdf s PHE 153 N -2.82 3.86 -0.17 0.36 0.08 -1.26 -4.95 117.98 113.08 1jdf s PHE 153 Ca 0.00 1.72 -0.02 0.00 0.12 0.00 0.00 56.93 58.75 1jdf s PHE 153 Cb -0.00 -2.92 -0.02 0.00 -0.57 0.00 0.00 43.02 39.51 1jdf s PHE 153 CO -0.05 0.35 -0.07 0.08 -0.10 0.00 0.00 175.22 175.43 1jdf s VAL 154 N -0.53 3.40 0.86 -0.44 1.01 -0.06 -1.77 120.40 122.87 1jdf s VAL 154 Ca 0.41 -0.52 -0.12 0.00 0.00 0.00 0.00 61.98 61.76 1jdf s VAL 154 Cb -0.23 -2.49 0.11 0.00 0.00 0.00 0.00 36.38 33.77 1jdf s VAL 154 CO 0.28 0.48 1.11 -0.83 0.00 0.00 0.00 175.10 176.14 1jdf s GLY 155 N 0.72 1.60 -0.75 4.51 0.00 -0.20 -0.50 107.32 112.71 1jdf s GLY 155 Ca -0.03 -0.27 -0.23 0.00 0.00 0.00 0.00 44.72 44.18 1jdf s GLY 155 CO 0.02 0.22 1.13 0.21 0.00 0.00 0.00 173.10 174.67 1jdf s ASN 156 N -3.80 6.25 0.58 1.64 2.47 -1.26 -4.08 114.94 116.75 1jdf s ASN 156 Ca 0.62 -1.00 0.28 0.00 0.42 0.00 0.00 52.86 53.19 1jdf s ASN 156 Cb -0.16 -2.47 1.53 0.00 -1.45 0.00 0.00 41.25 38.70 1jdf s ASN 156 CO 0.55 -1.52 1.98 0.08 -3.72 0.00 0.00 177.10 174.46 1jdf h ARG 157 N 9.64 0.00 0.00 0.43 0.11 -1.93 0.24 114.38 122.88 1jdf h ARG 157 Ca -0.18 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.90 1jdf h ARG 157 Cb 1.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.13 1jdf h ARG 157 CO 1.23 0.00 0.00 1.63 0.10 0.00 0.00 179.97 182.93 1jdf n LYS 158 N -3.81 0.13 -0.13 0.08 5.02 -1.26 -2.29 118.16 115.90 1jdf n LYS 158 Ca 0.06 0.07 0.07 0.00 -2.02 0.00 0.00 58.31 56.50 1jdf n LYS 158 Cb 0.55 -1.50 0.25 0.00 -0.02 0.00 0.00 35.03 34.30 1jdf n LYS 158 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jdf n ALA 159 N -1.42 2.48 -2.17 7.82 0.00 0.85 -4.85 120.51 123.21 1jdf n ALA 159 Ca 0.08 -0.54 -0.11 0.00 0.00 0.00 0.00 53.44 52.88 1jdf n ALA 159 Cb 0.25 -1.03 -0.10 0.00 0.00 0.00 0.00 19.45 18.57 1jdf n ALA 159 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1jdf s THR 160 N -1.66 0.41 -2.61 0.00 -4.23 -0.97 -4.74 115.64 101.84 1jdf s THR 160 Ca 0.26 -1.92 0.24 0.00 -1.18 0.00 0.00 61.69 59.09 1jdf s THR 160 Cb 0.14 -1.91 0.38 0.00 1.34 0.00 0.00 72.50 72.46 1jdf s THR 160 CO 0.19 -0.64 1.46 -0.81 -0.54 0.00 0.00 174.62 174.29 1jdf n PRO 161 N -0.09 2.10 -2.10 3.99 -0.04 -1.26 -4.97 135.00 132.63 1jdf n PRO 161 Ca -0.09 -1.63 -0.38 0.00 -0.04 0.00 0.00 63.50 61.36 1jdf n PRO 161 Cb 0.63 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 1jdf n PRO 161 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jdf s LEU 162 N -1.78 4.07 -0.84 1.53 1.43 -1.26 -4.92 118.68 116.90 1jdf s LEU 162 Ca 0.34 2.51 -0.06 0.00 -1.03 0.00 0.00 54.13 55.89 1jdf s LEU 162 Cb 0.20 -4.11 -0.10 0.00 0.03 0.00 0.00 46.19 42.21 1jdf s LEU 162 CO 0.30 -0.99 2.52 -0.81 0.23 0.00 0.00 176.35 177.60 1jdf n PRO 163 N -0.32 2.33 -2.34 1.29 -0.04 -1.26 -4.93 135.00 129.72 1jdf n PRO 163 Ca 0.06 -1.44 -0.42 0.00 -0.04 0.00 0.00 63.50 61.66 1jdf n PRO 163 Cb 0.46 -2.37 -0.03 0.00 -0.04 0.00 0.00 33.50 31.51 1jdf n PRO 163 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1jdf s TYR 164 N 2.55 3.38 1.03 0.54 1.51 -1.26 -4.89 117.35 120.21 1jdf s TYR 164 Ca 0.50 1.27 -0.12 0.00 -1.01 0.00 0.00 57.07 57.71 1jdf s TYR 164 Cb 0.16 -3.49 0.21 0.00 -0.11 0.00 0.00 41.96 38.73 1jdf s TYR 164 CO -0.03 -1.51 1.07 1.14 -1.11 0.00 0.00 175.55 175.12 1jdf s GLN 165 N 0.50 0.19 -0.04 -0.62 -2.07 -1.26 -5.08 119.66 111.28 1jdf s GLN 165 Ca 0.57 0.76 -0.29 0.00 -1.82 0.00 0.00 55.36 54.58 1jdf s GLN 165 Cb -0.33 -1.69 0.10 0.00 -1.09 0.00 0.00 33.01 30.00 1jdf s GLN 165 CO 0.33 -2.96 0.84 -1.54 -1.32 0.00 0.00 175.29 170.65 1jdf s SER 166 N -3.09 -0.44 -0.36 12.60 1.04 -1.26 -4.90 113.70 117.29 1jdf s SER 166 Ca 0.66 0.24 0.13 0.00 0.48 0.00 0.00 55.95 57.46 1jdf s SER 166 Cb -0.21 0.42 0.38 0.00 0.10 0.00 0.00 66.02 66.70 1jdf s SER 166 CO 0.60 -0.59 0.80 0.00 0.98 0.00 0.00 173.24 175.04 1jdf n GLN 167 N 0.22 1.02 -0.26 4.02 6.02 -1.26 -5.00 117.38 122.13 1jdf n GLN 167 Ca -0.12 -3.28 0.31 0.00 -0.01 0.00 0.00 57.00 53.90 1jdf n GLN 167 Cb 0.60 -1.55 0.72 0.00 1.02 0.00 0.00 30.24 31.03 1jdf n GLN 167 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1jdf h PRO 168 N 2.99 0.03 -0.11 -1.09 0.13 -1.90 -2.10 132.00 129.95 1jdf h PRO 168 Ca 0.04 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1jdf h PRO 168 Cb 1.03 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1jdf h PRO 168 CO 0.48 0.02 0.00 -0.25 -0.23 0.00 0.00 178.00 178.02 1jdf n ASP 169 N -4.25 2.23 -4.64 1.44 9.92 -1.26 -5.01 116.55 114.99 1jdf n ASP 169 Ca 0.22 -1.62 -0.44 0.00 -0.53 0.00 0.00 54.79 52.42 1jdf n ASP 169 Cb 1.10 -0.07 -0.01 0.00 -0.64 0.00 0.00 41.12 41.50 1jdf n ASP 169 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1jdf n ASP 170 N 0.61 1.94 0.23 -2.24 -0.08 -0.79 -4.87 116.55 111.35 1jdf n ASP 170 Ca 0.08 1.19 0.10 0.00 -1.51 0.00 0.00 54.79 54.65 1jdf n ASP 170 Cb 0.33 -1.37 0.54 0.00 2.34 0.00 0.00 41.12 42.95 1jdf n ASP 170 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1jdf h SER 171 N 2.23 0.00 -3.50 1.67 4.64 -1.96 -3.41 113.55 113.21 1jdf h SER 171 Ca -0.42 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.30 1jdf h SER 171 Cb 1.32 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.31 1jdf h SER 171 CO 0.61 0.22 0.58 0.00 -0.87 0.00 0.00 176.83 177.37 1jdf h ASP 173 N 8.50 0.15 -0.16 0.00 3.45 -1.92 -1.40 116.42 125.04 1jdf h ASP 173 Ca -0.23 0.14 -0.00 0.00 0.43 0.00 0.00 57.03 57.36 1jdf h ASP 173 Cb 1.08 0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 40.00 1jdf h ASP 173 CO 0.98 0.01 0.09 -0.25 -1.57 0.00 0.00 179.24 178.50 1jdf h TRP 174 N 0.34 0.22 0.00 4.55 2.91 -1.92 -0.12 115.95 121.93 1jdf h TRP 174 Ca 0.44 -0.00 -0.05 0.00 1.13 0.00 0.00 58.89 60.41 1jdf h TRP 174 Cb 0.76 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 29.33 1jdf h TRP 174 CO -0.21 0.21 -0.22 1.88 -1.03 0.00 0.00 178.44 179.06 1jdf h TYR 175 N 0.17 0.00 0.00 2.65 0.05 -1.75 -2.20 116.97 115.89 1jdf h TYR 175 Ca 0.06 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.83 1jdf h TYR 175 Cb 0.06 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.80 1jdf h TYR 175 CO -0.04 0.22 -0.05 -0.09 -1.05 0.00 0.00 178.16 177.15 1jdf h ARG 176 N 0.00 0.00 0.00 4.88 2.43 -1.03 -3.38 114.38 117.28 1jdf h ARG 176 Ca -0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1jdf h ARG 176 Cb 0.41 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1jdf h ARG 176 CO 0.03 0.69 -0.15 -0.07 -1.51 0.00 0.00 179.97 178.96 1jdf h LEU 177 N -1.00 0.00 0.00 3.80 3.38 -1.03 -3.15 115.31 117.30 1jdf h LEU 177 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1jdf h LEU 177 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1jdf h LEU 177 CO -0.01 0.15 0.00 -2.11 0.09 0.00 0.00 178.44 176.56 1jdf n ARG 178 N -3.40 0.06 0.00 1.13 1.85 -0.83 -1.46 116.66 114.01 1jdf n ARG 178 Ca -0.01 0.28 0.05 0.00 -1.00 0.00 0.00 57.85 57.17 1jdf n ARG 178 Cb 0.34 -1.50 0.03 0.00 -1.05 0.00 0.00 32.46 30.28 1jdf n ARG 178 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1jdf n HIS 179 N -1.39 0.00 -3.99 2.89 8.25 -1.19 -4.77 115.22 115.02 1jdf n HIS 179 Ca 0.03 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.18 1jdf n HIS 179 Cb 0.09 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.14 1jdf n HIS 179 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1jdf s GLU 180 N -0.83 3.14 0.28 -0.41 0.41 -0.53 -4.75 118.70 116.01 1jdf s GLU 180 Ca 0.11 -0.57 -0.29 0.00 -0.41 0.00 0.00 54.97 53.81 1jdf s GLU 180 Cb 0.08 -2.87 -0.14 0.00 -1.78 0.00 0.00 34.13 29.42 1jdf s GLU 180 CO 0.13 0.59 1.14 -1.91 -0.49 0.00 0.00 175.26 174.72 1jdf n GLU 181 N 0.41 1.60 -3.31 1.61 2.13 -1.26 -4.74 120.64 117.07 1jdf n GLU 181 Ca -0.07 0.56 -0.11 0.00 0.66 0.00 0.00 57.16 58.20 1jdf n GLU 181 Cb 0.51 -2.03 -0.06 0.00 0.27 0.00 0.00 31.44 30.14 1jdf n GLU 181 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jdf s ALA 182 N -0.86 -1.02 -0.13 4.31 0.00 0.35 -4.91 121.76 119.50 1jdf s ALA 182 Ca 0.60 -0.64 0.15 0.00 0.00 0.00 0.00 51.96 52.07 1jdf s ALA 182 Cb -0.68 -2.27 0.25 0.00 0.00 0.00 0.00 23.12 20.42 1jdf s ALA 182 CO 0.58 -2.17 1.15 -1.33 0.00 0.00 0.00 175.76 173.99 1jdf n MET 183 N 4.26 1.84 -4.16 0.00 2.81 -1.26 -0.88 117.12 119.73 1jdf n MET 183 Ca 0.11 -2.36 -0.10 0.00 -1.81 0.00 0.00 57.70 53.54 1jdf n MET 183 Cb 0.49 -1.42 -0.10 0.00 -0.71 0.00 0.00 33.22 31.48 1jdf n MET 183 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1jdf s THR 184 N -2.43 0.38 0.19 2.03 -4.23 -1.26 -5.05 115.64 105.27 1jdf s THR 184 Ca 0.26 -1.90 -0.12 0.00 -1.18 0.00 0.00 61.69 58.75 1jdf s THR 184 Cb 0.22 -1.84 0.11 0.00 1.34 0.00 0.00 72.50 72.33 1jdf s THR 184 CO 0.03 -0.70 1.75 -0.65 -0.54 0.00 0.00 174.62 174.51 1jdf h PRO 185 N 2.93 0.38 -0.52 3.99 0.11 -1.93 -0.31 132.00 136.65 1jdf h PRO 185 Ca -0.35 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.77 1jdf h PRO 185 Cb 1.18 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 1jdf h PRO 185 CO 0.63 0.25 0.28 -0.44 -0.21 0.00 0.00 178.00 178.52 1jdf h ASP 186 N 0.39 0.43 -0.53 -2.05 3.45 -1.97 0.14 116.42 116.29 1jdf h ASP 186 Ca 0.26 0.02 -0.08 0.00 0.43 0.00 0.00 57.03 57.66 1jdf h ASP 186 Cb 0.28 -0.06 -0.02 0.00 -0.56 0.00 0.00 39.33 38.96 1jdf h ASP 186 CO -0.25 0.30 0.01 0.00 -1.57 0.00 0.00 179.24 177.73 1jdf h ALA 187 N 1.26 0.96 -0.44 3.45 0.00 -1.81 -0.75 119.26 121.93 1jdf h ALA 187 Ca 0.22 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1jdf h ALA 187 Cb 0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1jdf h ALA 187 CO -0.14 0.63 -0.11 0.28 0.00 0.00 0.00 179.25 179.91 1jdf h VAL 188 N 0.89 1.27 -0.40 0.00 2.07 -0.53 -1.42 116.25 118.13 1jdf h VAL 188 Ca 0.17 -1.23 -0.06 0.00 0.82 0.00 0.00 66.70 66.40 1jdf h VAL 188 Cb 0.50 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1jdf h VAL 188 CO 0.02 0.42 0.01 0.58 0.02 0.00 0.00 177.57 178.63 1jdf h VAL 189 N 0.70 1.21 -0.49 2.57 2.07 -0.53 -1.33 116.25 120.44 1jdf h VAL 189 Ca 0.11 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 1jdf h VAL 189 Cb 0.66 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1jdf h VAL 189 CO 0.05 0.30 0.30 -0.09 0.02 0.00 0.00 177.57 178.15 1jdf h ARG 190 N 0.60 0.67 -0.43 1.57 2.43 -0.72 -0.32 114.38 118.18 1jdf h ARG 190 Ca 0.13 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1jdf h ARG 190 Cb 0.36 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1jdf h ARG 190 CO 0.01 0.48 0.16 -0.07 -1.51 0.00 0.00 179.97 179.04 1jdf h LEU 191 N 0.66 0.61 -0.71 3.80 3.38 -0.65 -1.86 115.31 120.54 1jdf h LEU 191 Ca 0.18 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1jdf h LEU 191 Cb -0.02 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 1jdf h LEU 191 CO -0.03 0.62 0.46 0.00 0.09 0.00 0.00 178.44 179.57 1jdf h ALA 192 N 1.01 0.91 -0.50 1.53 0.00 -0.84 0.14 119.26 121.50 1jdf h ALA 192 Ca 0.14 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1jdf h ALA 192 Cb 0.21 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1jdf h ALA 192 CO -0.01 0.28 0.19 0.93 0.00 0.00 0.00 179.25 180.63 1jdf h GLU 193 N 0.92 0.76 -0.46 0.00 5.08 -0.87 0.20 114.58 120.21 1jdf h GLU 193 Ca 0.27 -0.15 -0.12 0.00 -1.00 0.00 0.00 59.36 58.36 1jdf h GLU 193 Cb -0.05 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 1jdf h GLU 193 CO -0.08 0.69 -0.18 0.00 -1.00 0.00 0.00 179.01 178.44 1jdf h ALA 194 N 1.04 0.81 -0.39 3.43 0.00 -1.02 -1.15 119.26 121.98 1jdf h ALA 194 Ca 0.17 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 1jdf h ALA 194 Cb 0.22 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1jdf h ALA 194 CO -0.01 0.65 -0.19 0.00 0.00 0.00 0.00 179.25 179.70 1jdf h ALA 195 N 1.00 0.94 -0.28 0.00 0.00 -0.45 -1.78 119.26 118.69 1jdf h ALA 195 Ca 0.11 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1jdf h ALA 195 Cb 0.72 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1jdf h ALA 195 CO 0.06 0.61 -0.02 -0.92 0.00 0.00 0.00 179.25 178.98 1jdf h TYR 196 N 0.65 0.57 -0.26 0.00 3.20 -0.33 0.11 116.97 120.91 1jdf h TYR 196 Ca 0.10 -0.11 0.03 0.00 3.14 0.00 0.00 58.73 61.89 1jdf h TYR 196 Cb 0.68 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.78 1jdf h TYR 196 CO 0.03 0.68 0.09 1.49 -1.64 0.00 0.00 178.16 178.81 1jdf h GLU 197 N 0.29 0.20 -0.11 1.82 4.81 -1.06 0.74 114.58 121.27 1jdf h GLU 197 Ca 0.08 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.15 1jdf h GLU 197 Cb 0.46 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.81 1jdf h GLU 197 CO 0.02 0.13 -0.52 -0.22 -0.73 0.00 0.00 179.01 177.69 1jdf h LYS 198 N 0.20 0.54 0.00 1.92 1.63 -1.27 -3.39 116.57 116.20 1jdf h LYS 198 Ca 0.11 -0.44 0.00 0.00 -0.85 0.00 0.00 60.65 59.48 1jdf h LYS 198 Cb 0.08 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.80 1jdf h LYS 198 CO -0.12 1.06 -0.69 0.66 -3.45 0.00 0.00 179.45 176.91 1jdf n TYR 199 N -4.22 0.00 -2.25 1.91 4.02 0.36 -4.96 117.16 112.02 1jdf n TYR 199 Ca -0.08 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.71 1jdf n TYR 199 Cb 0.61 -0.06 -0.00 0.00 -0.02 0.00 0.00 39.34 39.87 1jdf n TYR 199 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1jdf n GLY 200 N 1.46 -0.03 3.76 2.72 0.00 0.26 -1.35 105.19 112.01 1jdf n GLY 200 Ca 0.01 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.17 1jdf n GLY 200 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1jdf n PHE 201 N -3.99 2.68 -0.10 1.61 3.72 -1.26 -2.25 117.46 117.88 1jdf n PHE 201 Ca -0.11 0.45 -0.10 0.00 -0.05 0.00 0.00 57.45 57.64 1jdf n PHE 201 Cb 0.59 -2.46 -0.15 0.00 -0.94 0.00 0.00 39.48 36.51 1jdf n PHE 201 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1jdf n ASN 202 N -0.02 0.28 -4.42 4.37 3.02 -1.26 -4.90 115.26 112.32 1jdf n ASN 202 Ca 0.05 -0.01 -0.30 0.00 -0.03 0.00 0.00 54.58 54.29 1jdf n ASN 202 Cb 0.41 0.90 -0.13 0.00 -0.61 0.00 0.00 39.78 40.35 1jdf n ASN 202 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1jdf s ASP 203 N -5.47 3.52 0.12 6.41 1.01 -1.26 -3.82 116.67 117.16 1jdf s ASP 203 Ca -0.11 -0.63 0.03 0.00 0.71 0.00 0.00 52.55 52.55 1jdf s ASP 203 Cb 0.06 -0.37 -0.04 0.00 1.01 0.00 0.00 42.92 43.58 1jdf s ASP 203 CO 0.79 0.20 -0.09 -0.36 0.21 0.00 0.00 175.17 175.92 1jdf s PHE 204 N -1.03 1.09 -0.02 4.23 0.08 -0.55 -0.56 117.98 121.22 1jdf s PHE 204 Ca 0.15 -0.77 0.01 0.00 0.12 0.00 0.00 56.93 56.44 1jdf s PHE 204 Cb -0.10 -0.58 0.02 0.00 -0.57 0.00 0.00 43.02 41.78 1jdf s PHE 204 CO 0.06 -0.01 -0.02 0.21 -0.10 0.00 0.00 175.22 175.37 1jdf s LYS 205 N -3.45 0.35 -0.14 0.44 2.20 -0.33 -2.52 119.74 116.29 1jdf s LYS 205 Ca 0.11 -0.02 -0.01 0.00 -0.36 0.00 0.00 55.97 55.70 1jdf s LYS 205 Cb 0.01 -0.44 -0.01 0.00 -1.51 0.00 0.00 37.83 35.88 1jdf s LYS 205 CO -0.01 -0.05 -0.12 -1.17 -0.36 0.00 0.00 175.35 173.64 1jdf s LEU 206 N 0.60 2.71 -0.14 5.43 2.96 -0.22 0.74 118.68 130.75 1jdf s LEU 206 Ca -0.06 -0.35 -0.29 0.00 -0.22 0.00 0.00 54.13 53.20 1jdf s LEU 206 Cb -0.09 -1.62 -0.01 0.00 0.50 0.00 0.00 46.19 44.96 1jdf s LEU 206 CO -0.01 0.13 1.19 -0.75 -1.32 0.00 0.00 176.35 175.59 1jdf s LYS 207 N 0.56 4.28 0.00 1.98 2.47 -0.30 -1.57 119.74 127.15 1jdf s LYS 207 Ca -0.08 1.59 0.00 0.00 -1.56 0.00 0.00 55.97 55.92 1jdf s LYS 207 Cb -0.16 -3.67 0.00 0.00 -1.46 0.00 0.00 37.83 32.54 1jdf s LYS 207 CO 0.03 -0.59 0.00 0.41 0.16 0.00 0.00 175.35 175.36 1jdf n GLY 208 N 3.46 3.24 2.22 5.54 0.00 0.71 -4.45 105.19 115.92 1jdf n GLY 208 Ca 0.12 -1.95 -0.09 0.00 0.00 0.00 0.00 46.02 44.10 1jdf n GLY 208 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jdf n GLY 209 N 5.00 0.75 0.65 -0.02 0.00 -1.26 -4.05 105.19 106.26 1jdf n GLY 209 Ca 0.00 -0.62 -0.06 0.00 0.00 0.00 0.00 46.02 45.34 1jdf n GLY 209 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1jdf n VAL 210 N -3.10 1.14 -3.66 1.61 0.31 -1.26 -1.65 118.33 111.72 1jdf n VAL 210 Ca -0.09 0.16 -0.24 0.00 -0.01 0.00 0.00 64.34 64.16 1jdf n VAL 210 Cb 0.36 -1.83 0.01 0.00 -0.91 0.00 0.00 33.84 31.47 1jdf n VAL 210 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1jdf s LEU 211 N -7.16 2.84 0.32 7.52 1.43 -1.26 -1.21 118.68 121.16 1jdf s LEU 211 Ca -0.13 -1.12 -0.29 0.00 -1.03 0.00 0.00 54.13 51.56 1jdf s LEU 211 Cb 0.03 -1.35 -0.12 0.00 0.03 0.00 0.00 46.19 44.79 1jdf s LEU 211 CO 0.18 -1.14 1.46 0.00 0.23 0.00 0.00 176.35 177.09 1jdf n ALA 212 N -1.87 1.97 -0.25 4.21 0.00 -1.26 -4.74 120.51 118.57 1jdf n ALA 212 Ca 0.03 0.37 0.05 0.00 0.00 0.00 0.00 53.44 53.89 1jdf n ALA 212 Cb 0.63 -2.37 0.18 0.00 0.00 0.00 0.00 19.45 17.89 1jdf n ALA 212 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1jdf h GLY 213 N 3.66 1.06 2.00 0.00 0.00 -1.99 0.17 103.07 107.98 1jdf h GLY 213 Ca -0.47 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 1jdf h GLY 213 CO 0.71 -0.16 -0.05 1.05 0.00 0.00 0.00 176.54 178.09 1jdf h GLU 214 N 0.34 0.00 0.07 4.80 -0.00 -1.97 -0.19 114.58 117.63 1jdf h GLU 214 Ca 0.41 0.00 -0.21 0.00 -0.00 0.00 0.00 59.36 59.56 1jdf h GLU 214 Cb 0.67 0.00 0.02 0.00 -0.00 0.00 0.00 28.75 29.44 1jdf h GLU 214 CO -0.46 0.05 -0.86 1.49 -0.00 0.00 0.00 179.01 179.23 1jdf h GLU 215 N 0.00 0.46 0.00 1.06 4.81 -1.08 -3.15 114.58 116.68 1jdf h GLU 215 Ca -0.00 -0.59 -0.02 0.00 -0.13 0.00 0.00 59.36 58.62 1jdf h GLU 215 Cb 0.09 0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 1jdf h GLU 215 CO 0.01 1.23 -0.08 0.93 -0.73 0.00 0.00 179.01 180.36 1jdf h GLU 216 N -0.04 0.00 -0.25 1.92 5.08 -0.50 -2.04 114.58 118.76 1jdf h GLU 216 Ca -0.13 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1jdf h GLU 216 Cb 1.58 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.82 1jdf h GLU 216 CO 0.17 0.08 0.08 0.00 -1.00 0.00 0.00 179.01 178.34 1jdf h ALA 217 N 1.92 1.68 -0.11 3.43 0.00 -1.01 -2.04 119.26 123.12 1jdf h ALA 217 Ca -0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1jdf h ALA 217 Cb 0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1jdf h ALA 217 CO 0.01 0.25 -0.33 0.93 0.00 0.00 0.00 179.25 180.12 1jdf h GLU 218 N 0.34 0.21 -0.30 0.00 4.39 -1.43 -1.60 114.58 116.19 1jdf h GLU 218 Ca 0.09 -0.08 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 1jdf h GLU 218 Cb 0.11 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1jdf h GLU 218 CO -0.01 0.52 -0.20 0.77 -1.16 0.00 0.00 179.01 178.93 1jdf h SER 219 N 0.18 0.56 -0.29 1.42 0.02 -1.45 -0.76 113.55 113.22 1jdf h SER 219 Ca 0.02 -0.18 -0.07 0.00 -0.84 0.00 0.00 61.79 60.72 1jdf h SER 219 Cb 0.67 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1jdf h SER 219 CO 0.05 0.76 -0.10 0.40 -1.14 0.00 0.00 176.83 176.80 1jdf h ILE 220 N 0.50 1.29 -0.57 3.27 1.08 -1.24 -0.51 117.51 121.33 1jdf h ILE 220 Ca 0.08 -1.16 0.01 0.00 -0.39 0.00 0.00 64.86 63.39 1jdf h ILE 220 Cb 0.62 1.43 -0.03 0.00 -3.07 0.00 0.00 36.82 35.78 1jdf h ILE 220 CO 0.04 0.37 0.38 0.58 -0.69 0.00 0.00 178.15 178.83 1jdf h VAL 221 N 0.34 1.15 -0.42 1.67 2.07 -1.08 -0.33 116.25 119.66 1jdf h VAL 221 Ca 0.07 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1jdf h VAL 221 Cb 0.60 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1jdf h VAL 221 CO 0.04 0.14 0.24 0.00 0.02 0.00 0.00 177.57 178.01 1jdf h ALA 222 N 1.21 0.53 -0.47 1.67 0.00 -0.97 -1.63 119.26 119.60 1jdf h ALA 222 Ca 0.21 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1jdf h ALA 222 Cb -0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1jdf h ALA 222 CO -0.04 0.04 0.26 -0.07 0.00 0.00 0.00 179.25 179.44 1jdf h LEU 223 N 0.54 0.58 -1.12 0.00 3.38 -0.71 -1.79 115.31 116.20 1jdf h LEU 223 Ca 0.15 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1jdf h LEU 223 Cb 0.03 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1jdf h LEU 223 CO -0.03 0.50 0.49 0.00 0.09 0.00 0.00 178.44 179.50 1jdf h ALA 224 N 1.11 1.34 -0.20 1.53 0.00 -0.87 0.19 119.26 122.36 1jdf h ALA 224 Ca 0.17 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1jdf h ALA 224 Cb 0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1jdf h ALA 224 CO -0.03 0.57 -0.05 1.96 0.00 0.00 0.00 179.25 181.71 1jdf h GLN 225 N 1.12 0.38 -0.69 0.00 4.20 -1.01 -1.69 115.11 117.41 1jdf h GLN 225 Ca 0.29 -0.14 -0.07 0.00 0.06 0.00 0.00 58.65 58.78 1jdf h GLN 225 Cb -0.06 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 1jdf h GLN 225 CO -0.06 0.63 0.14 -0.09 -0.67 0.00 0.00 178.83 178.79 1jdf h ARG 226 N 0.10 1.12 -2.65 1.46 9.65 -0.95 -3.33 114.38 119.78 1jdf h ARG 226 Ca 0.05 -0.29 -0.61 0.00 -1.10 0.00 0.00 59.98 58.04 1jdf h ARG 226 Cb 0.49 -0.14 -0.42 0.00 -1.39 0.00 0.00 29.97 28.52 1jdf h ARG 226 CO 0.02 1.01 -0.63 1.19 2.80 0.00 0.00 179.97 184.36 1jdf n PHE 227 N -4.23 2.96 0.22 2.20 3.01 0.63 -4.95 117.46 117.30 1jdf n PHE 227 Ca 0.05 -4.15 0.15 0.00 1.01 0.00 0.00 57.45 54.50 1jdf n PHE 227 Cb 0.28 -0.53 0.80 0.00 -0.01 0.00 0.00 39.48 40.02 1jdf n PHE 227 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1jdf h PRO 228 N 4.88 0.00 -0.01 -1.08 0.13 -1.43 -2.20 132.00 132.29 1jdf h PRO 228 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1jdf h PRO 228 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1jdf h PRO 228 CO 0.73 0.00 -0.41 1.04 -0.23 0.00 0.00 178.00 179.13 1jdf n GLN 229 N -2.53 1.45 -2.65 0.86 3.00 -1.26 -5.00 117.38 111.24 1jdf n GLN 229 Ca -0.02 -0.91 -0.36 0.00 -0.01 0.00 0.00 57.00 55.70 1jdf n GLN 229 Cb 0.06 -1.38 -0.05 0.00 0.00 0.00 0.00 30.24 28.86 1jdf n GLN 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1jdf s ALA 230 N -2.19 3.12 -0.14 -1.58 0.00 -0.83 -4.97 121.76 115.17 1jdf s ALA 230 Ca 0.16 0.60 -0.20 0.00 0.00 0.00 0.00 51.96 52.53 1jdf s ALA 230 Cb 0.16 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 1jdf s ALA 230 CO 0.49 -0.05 0.56 1.03 0.00 0.00 0.00 175.76 177.79 1jdf s ARG 231 N -2.46 4.30 0.03 0.00 0.52 -1.25 -4.92 118.95 115.18 1jdf s ARG 231 Ca 0.56 0.56 0.04 0.00 -0.52 0.00 0.00 55.73 56.37 1jdf s ARG 231 Cb -0.19 -3.49 -0.02 0.00 0.52 0.00 0.00 34.95 31.77 1jdf s ARG 231 CO 0.24 -0.00 -0.12 0.42 0.02 0.00 0.00 175.30 175.86 1jdf s ILE 232 N 1.12 0.93 0.06 1.52 1.01 -1.26 -1.48 121.20 123.09 1jdf s ILE 232 Ca 0.28 -0.91 -0.00 0.00 0.00 0.00 0.00 60.65 60.03 1jdf s ILE 232 Cb -0.16 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.42 1jdf s ILE 232 CO 0.12 -0.04 -0.04 0.28 0.00 0.00 0.00 174.94 175.26 1jdf s THR 233 N -0.84 0.34 -0.04 2.92 -1.32 -1.05 -0.36 115.64 115.30 1jdf s THR 233 Ca -0.00 -1.75 0.06 0.00 -1.21 0.00 0.00 61.69 58.79 1jdf s THR 233 Cb -0.07 -1.43 -0.01 0.00 -1.51 0.00 0.00 72.50 69.47 1jdf s THR 233 CO 0.01 -0.91 -0.21 -0.22 -2.21 0.00 0.00 174.62 171.08 1jdf s LEU 234 N -2.79 2.00 -0.36 9.08 2.96 -1.26 -1.06 118.68 127.25 1jdf s LEU 234 Ca 0.06 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 53.57 1jdf s LEU 234 Cb 0.05 -1.14 0.11 0.00 0.50 0.00 0.00 46.19 45.71 1jdf s LEU 234 CO -0.08 0.21 0.12 -0.62 -1.32 0.00 0.00 176.35 174.67 1jdf s ASP 235 N -0.17 4.26 0.00 3.68 3.68 -0.61 -3.11 116.67 124.40 1jdf s ASP 235 Ca -0.01 -2.13 0.08 0.00 2.13 0.00 0.00 52.55 52.63 1jdf s ASP 235 Cb -0.11 -1.24 0.26 0.00 -1.45 0.00 0.00 42.92 40.38 1jdf s ASP 235 CO 0.02 -0.36 1.21 -0.81 0.13 0.00 0.00 175.17 175.36 1jdf n PRO 236 N 4.25 1.52 -4.01 4.34 -0.04 -1.25 -0.21 135.00 139.59 1jdf n PRO 236 Ca 0.03 -0.80 -0.28 0.00 -0.04 0.00 0.00 63.50 62.40 1jdf n PRO 236 Cb 0.40 -1.19 -0.02 0.00 -0.04 0.00 0.00 33.50 32.65 1jdf n PRO 236 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1jdf n ASN 237 N 0.14 -1.51 0.00 3.54 4.13 -1.21 -1.97 115.26 118.38 1jdf n ASN 237 Ca 0.08 -0.98 0.00 0.00 1.68 0.00 0.00 54.58 55.36 1jdf n ASN 237 Cb 0.19 -3.09 0.00 0.00 -1.54 0.00 0.00 39.78 35.35 1jdf n ASN 237 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jdf n GLY 238 N -1.80 0.26 0.27 7.41 0.00 0.29 -4.93 105.19 106.70 1jdf n GLY 238 Ca -0.18 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.81 1jdf n GLY 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jdf h ALA 239 N 0.00 1.17 -2.61 4.61 0.00 -1.52 -3.13 119.26 117.78 1jdf h ALA 239 Ca 0.00 -0.26 -0.50 0.00 0.00 0.00 0.00 54.91 54.15 1jdf h ALA 239 Cb 0.48 -0.17 0.06 0.00 0.00 0.00 0.00 17.79 18.16 1jdf h ALA 239 CO 0.00 0.53 0.45 -1.58 0.00 0.00 0.00 179.25 178.66 1jdf s TRP 240 N -4.90 2.85 0.92 0.00 0.51 -1.22 -4.29 118.94 112.82 1jdf s TRP 240 Ca -0.09 1.55 -0.12 0.00 -2.12 0.00 0.00 56.10 55.33 1jdf s TRP 240 Cb 0.15 -3.30 0.14 0.00 -0.81 0.00 0.00 33.47 29.65 1jdf s TRP 240 CO 0.80 -1.38 1.10 -1.54 -0.51 0.00 0.00 176.95 175.42 1jdf s SER 241 N -1.57 3.35 0.20 2.95 1.04 -1.26 -4.15 113.70 114.25 1jdf s SER 241 Ca 0.66 1.21 -0.10 0.00 0.48 0.00 0.00 55.95 58.21 1jdf s SER 241 Cb -0.25 -1.87 0.14 0.00 0.10 0.00 0.00 66.02 64.14 1jdf s SER 241 CO 0.30 -2.68 1.82 0.25 0.98 0.00 0.00 173.24 173.91 1jdf h LEU 242 N -1.58 0.91 -0.55 2.42 5.85 -1.92 -0.91 115.31 119.52 1jdf h LEU 242 Ca -0.51 -0.09 -0.13 0.00 0.84 0.00 0.00 57.88 57.99 1jdf h LEU 242 Cb 1.31 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 1jdf h LEU 242 CO 0.58 0.73 -0.23 0.78 -0.34 0.00 0.00 178.44 179.97 1jdf h ASN 243 N 1.01 0.95 -0.61 1.25 -0.26 -2.00 -0.99 115.58 114.93 1jdf h ASN 243 Ca 0.26 -0.36 -0.09 0.00 -0.56 0.00 0.00 56.30 55.55 1jdf h ASN 243 Cb 0.02 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.00 1jdf h ASN 243 CO -0.04 1.13 0.04 -0.33 -1.06 0.00 0.00 177.43 177.17 1jdf h GLU 244 N 0.80 1.05 -0.45 0.81 5.08 -1.86 -2.37 114.58 117.64 1jdf h GLU 244 Ca 0.10 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 58.10 1jdf h GLU 244 Cb 0.79 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 1jdf h GLU 244 CO 0.07 1.01 0.08 0.00 -1.00 0.00 0.00 179.01 179.16 1jdf h ALA 245 N 1.00 0.60 -0.79 3.43 0.00 -1.00 -1.24 119.26 121.26 1jdf h ALA 245 Ca 0.18 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1jdf h ALA 245 Cb 0.51 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1jdf h ALA 245 CO 0.02 0.32 0.40 0.82 0.00 0.00 0.00 179.25 180.81 1jdf h ILE 246 N 0.61 1.25 0.02 0.00 2.04 -1.10 0.54 117.51 120.87 1jdf h ILE 246 Ca 0.14 -0.67 -0.00 0.00 1.00 0.00 0.00 64.86 65.33 1jdf h ILE 246 Cb 0.38 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1jdf h ILE 246 CO 0.01 0.29 -0.01 0.50 0.00 0.00 0.00 178.15 178.94 1jdf h LYS 247 N 1.11 -0.02 -0.47 2.37 3.64 -1.20 -0.43 116.57 121.57 1jdf h LYS 247 Ca 0.27 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.57 1jdf h LYS 247 Cb 0.09 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1jdf h LYS 247 CO -0.04 0.12 -0.05 0.82 -2.27 0.00 0.00 179.45 178.03 1jdf h ILE 248 N -0.16 1.25 -0.27 2.00 2.04 -0.98 -2.27 117.51 119.13 1jdf h ILE 248 Ca -0.00 -1.09 -0.02 0.00 1.00 0.00 0.00 64.86 64.75 1jdf h ILE 248 Cb 0.15 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1jdf h ILE 248 CO 0.00 0.38 0.11 1.23 0.00 0.00 0.00 178.15 179.87 1jdf h GLY 249 N 0.98 0.44 1.36 5.37 0.00 0.31 -0.14 103.07 111.39 1jdf h GLY 249 Ca 0.14 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 47.18 1jdf h GLY 249 CO 0.03 0.22 0.15 0.50 0.00 0.00 0.00 176.54 177.44 1jdf h LYS 250 N 0.29 0.81 -0.50 4.80 1.57 -0.99 0.24 116.57 122.80 1jdf h LYS 250 Ca 0.09 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 1jdf h LYS 250 Cb 0.17 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1jdf h LYS 250 CO -0.01 0.72 0.02 -0.92 -0.57 0.00 0.00 179.45 178.69 1jdf h TYR 251 N 0.78 0.94 -0.25 -1.35 5.03 -1.10 -2.89 116.97 118.14 1jdf h TYR 251 Ca 0.18 -0.16 0.00 0.00 2.58 0.00 0.00 58.73 61.33 1jdf h TYR 251 Cb 0.26 -0.25 0.00 0.00 1.55 0.00 0.00 36.73 38.29 1jdf h TYR 251 CO 0.01 0.87 0.00 1.28 -1.32 0.00 0.00 178.16 179.01 1jdf n LEU 252 N -4.34 1.86 -0.32 2.82 4.77 -0.09 -4.54 117.00 117.15 1jdf n LEU 252 Ca 0.01 -0.83 0.16 0.00 -0.03 0.00 0.00 56.01 55.31 1jdf n LEU 252 Cb 0.30 -0.16 0.30 0.00 -2.33 0.00 0.00 43.42 41.54 1jdf n LEU 252 CO 0.42 0.42 0.77 1.17 -1.33 0.00 0.00 177.39 178.83 1jdf n LYS 253 N 0.46 -0.07 -0.07 3.23 3.00 0.04 0.22 118.16 124.98 1jdf n LYS 253 Ca 0.15 1.39 0.11 0.00 -0.00 0.00 0.00 58.31 59.96 1jdf n LYS 253 Cb 0.34 -2.24 0.39 0.00 0.00 0.00 0.00 35.03 33.52 1jdf n LYS 253 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1jdf n GLY 254 N -1.45 0.30 0.04 3.14 0.00 -1.26 -4.18 105.19 101.78 1jdf n GLY 254 Ca 0.23 -0.44 -0.05 0.00 0.00 0.00 0.00 46.02 45.77 1jdf n GLY 254 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jdf n SER 255 N 0.35 2.98 -4.79 1.61 7.64 0.13 -5.01 113.62 116.53 1jdf n SER 255 Ca 0.17 -0.01 -0.39 0.00 1.01 0.00 0.00 58.87 59.65 1jdf n SER 255 Cb 0.35 0.59 -0.06 0.00 -1.01 0.00 0.00 64.21 64.08 1jdf n SER 255 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1jdf s LEU 256 N -4.74 4.46 0.02 -3.43 1.43 -0.55 -4.39 118.68 111.49 1jdf s LEU 256 Ca -0.05 1.17 0.04 0.00 -1.03 0.00 0.00 54.13 54.26 1jdf s LEU 256 Cb 0.03 -2.87 -0.24 0.00 0.03 0.00 0.00 46.19 43.13 1jdf s LEU 256 CO 0.33 0.19 0.92 0.00 0.23 0.00 0.00 176.35 178.02 1jdf h ALA 257 N 5.14 0.44 -2.61 4.21 0.00 -1.04 -3.47 119.26 121.92 1jdf h ALA 257 Ca -0.47 -1.16 0.09 0.00 0.00 0.00 0.00 54.91 53.37 1jdf h ALA 257 Cb 1.21 0.21 -0.10 0.00 0.00 0.00 0.00 17.79 19.11 1jdf h ALA 257 CO 0.67 1.30 0.37 1.52 0.00 0.00 0.00 179.25 183.11 1jdf s TYR 258 N -2.64 -0.28 -0.23 0.00 1.13 -1.24 -4.40 117.35 109.68 1jdf s TYR 258 Ca -0.05 0.01 -0.02 0.00 -1.41 0.00 0.00 57.07 55.60 1jdf s TYR 258 Cb 0.08 0.61 0.01 0.00 -1.10 0.00 0.00 41.96 41.57 1jdf s TYR 258 CO 0.83 -0.85 -0.08 0.00 -2.51 0.00 0.00 175.55 172.94 1jdf s ALA 259 N -3.48 2.66 -0.27 9.51 0.00 0.69 -4.33 121.76 126.54 1jdf s ALA 259 Ca 0.08 -1.32 -0.19 0.00 0.00 0.00 0.00 51.96 50.52 1jdf s ALA 259 Cb -0.02 -1.60 -0.02 0.00 0.00 0.00 0.00 23.12 21.48 1jdf s ALA 259 CO -0.03 -0.60 0.58 -2.00 0.00 0.00 0.00 175.76 173.71 1jdf s GLU 260 N 1.37 4.05 -1.02 0.00 2.12 -1.18 -1.12 118.70 122.91 1jdf s GLU 260 Ca 0.03 0.40 -0.26 0.00 0.36 0.00 0.00 54.97 55.50 1jdf s GLU 260 Cb -0.15 -3.67 0.04 0.00 0.26 0.00 0.00 34.13 30.61 1jdf s GLU 260 CO -0.06 -0.42 0.49 -0.25 -0.54 0.00 0.00 175.26 174.47 1jdf n ASP 261 N 5.68 -2.83 0.25 -1.70 8.00 -0.33 -3.89 116.55 121.72 1jdf n ASP 261 Ca -0.02 -1.06 0.13 0.00 0.71 0.00 0.00 54.79 54.54 1jdf n ASP 261 Cb 0.49 -1.28 0.62 0.00 -0.02 0.00 0.00 41.12 40.94 1jdf n ASP 261 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1jdf h PRO 262 N -1.54 0.00 -3.29 -0.24 0.13 -1.88 0.84 132.00 126.02 1jdf h PRO 262 Ca -0.58 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.56 1jdf h PRO 262 Cb 1.14 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.20 1jdf h PRO 262 CO 0.44 0.15 0.07 0.00 -0.23 0.00 0.00 178.00 178.42 1jdf n GLY 264 N -0.41 4.49 3.62 0.00 0.00 -1.18 -4.58 105.19 107.13 1jdf n GLY 264 Ca -0.04 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 1jdf n GLY 264 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jdf n ALA 265 N -3.00 0.33 -3.64 4.61 0.00 -1.26 -4.66 120.51 112.89 1jdf n ALA 265 Ca 0.00 0.29 -0.02 0.00 0.00 0.00 0.00 53.44 53.71 1jdf n ALA 265 Cb 0.00 -2.10 -0.04 0.00 0.00 0.00 0.00 19.45 17.31 1jdf n ALA 265 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1jdf s GLU 266 N -1.89 0.06 -1.46 0.00 -1.05 -0.79 -4.91 118.70 108.67 1jdf s GLU 266 Ca 0.60 0.01 -0.04 0.00 -0.15 0.00 0.00 54.97 55.40 1jdf s GLU 266 Cb -0.59 0.03 0.02 0.00 -0.44 0.00 0.00 34.13 33.14 1jdf s GLU 266 CO 0.59 -0.02 0.35 1.04 0.95 0.00 0.00 175.26 178.16 1jdf n GLN 267 N 0.47 -3.43 -0.20 -4.83 6.02 -1.26 -1.54 117.38 112.61 1jdf n GLN 267 Ca 0.00 0.78 0.00 0.00 -0.01 0.00 0.00 57.00 57.78 1jdf n GLN 267 Cb 0.59 -5.53 0.00 0.00 1.02 0.00 0.00 30.24 26.32 1jdf n GLN 267 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jdf n GLY 268 N -1.21 1.78 3.87 1.08 0.00 -1.26 -5.03 105.19 104.42 1jdf n GLY 268 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 1jdf n GLY 268 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jdf s PHE 269 N -2.91 3.60 0.86 1.61 0.08 -0.59 -5.09 117.98 115.54 1jdf s PHE 269 Ca 0.00 0.74 -0.12 0.00 0.12 0.00 0.00 56.93 57.67 1jdf s PHE 269 Cb 0.00 -2.12 0.11 0.00 -0.57 0.00 0.00 43.02 40.44 1jdf s PHE 269 CO 0.00 0.56 1.13 -1.54 -0.10 0.00 0.00 175.22 175.28 1jdf s SER 270 N -1.66 4.01 0.41 1.36 1.04 -1.26 -1.89 113.70 115.70 1jdf s SER 270 Ca 0.30 1.03 0.08 0.00 0.48 0.00 0.00 55.95 57.84 1jdf s SER 270 Cb -0.14 -1.64 0.85 0.00 0.10 0.00 0.00 66.02 65.19 1jdf s SER 270 CO 0.17 -2.24 2.02 1.23 0.98 0.00 0.00 173.24 175.39 1jdf h GLY 271 N -1.28 0.47 0.96 7.32 0.00 -1.91 -1.51 103.07 107.12 1jdf h GLY 271 Ca -0.49 -0.21 -0.09 0.00 0.00 0.00 0.00 47.33 46.55 1jdf h GLY 271 CO 0.62 0.20 -0.13 3.21 0.00 0.00 0.00 176.54 180.44 1jdf h ARG 272 N 0.44 0.73 -0.51 4.80 3.08 -1.92 0.44 114.38 121.43 1jdf h ARG 272 Ca 0.11 -0.30 -0.06 0.00 0.07 0.00 0.00 59.98 59.80 1jdf h ARG 272 Cb 0.07 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1jdf h ARG 272 CO -0.01 0.90 0.08 0.93 -1.07 0.00 0.00 179.97 180.79 1jdf h GLU 273 N 0.52 0.85 -0.11 0.04 5.08 -1.81 -2.07 114.58 117.08 1jdf h GLU 273 Ca 0.09 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 1jdf h GLU 273 Cb 0.65 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 1jdf h GLU 273 CO 0.04 0.85 -0.01 0.28 -1.00 0.00 0.00 179.01 179.17 1jdf h VAL 274 N 0.73 1.27 0.00 3.13 2.07 -1.21 -2.66 116.25 119.59 1jdf h VAL 274 Ca 0.16 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 1jdf h VAL 274 Cb 0.41 1.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1jdf h VAL 274 CO 0.01 0.25 -0.16 0.24 0.02 0.00 0.00 177.57 177.93 1jdf h MET 275 N -0.10 0.00 -0.39 1.57 2.86 -0.91 -0.64 114.93 117.32 1jdf h MET 275 Ca 0.03 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.56 1jdf h MET 275 Cb 0.40 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 1jdf h MET 275 CO 0.01 0.16 -0.20 0.00 1.06 0.00 0.00 176.91 177.94 1jdf h ALA 276 N 1.84 0.92 -0.26 6.32 0.00 -1.22 -0.28 119.26 126.58 1jdf h ALA 276 Ca -0.00 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 1jdf h ALA 276 Cb 0.32 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1jdf h ALA 276 CO 0.02 0.62 -0.07 0.93 0.00 0.00 0.00 179.25 180.75 1jdf h GLU 277 N 0.66 0.51 -0.32 0.00 5.08 -0.92 -1.78 114.58 117.81 1jdf h GLU 277 Ca 0.10 -0.20 0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1jdf h GLU 277 Cb 0.70 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.88 1jdf h GLU 277 CO 0.05 0.73 0.07 0.35 -1.00 0.00 0.00 179.01 179.21 1jdf h PHE 278 N 0.25 0.12 -0.32 4.33 3.04 -0.95 -0.01 116.94 123.39 1jdf h PHE 278 Ca 0.06 0.02 0.05 0.00 3.98 0.00 0.00 57.97 62.08 1jdf h PHE 278 Cb 0.55 -0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.01 1jdf h PHE 278 CO 0.05 0.03 0.06 -0.09 -2.02 0.00 0.00 178.31 176.34 1jdf h ARG 279 N 0.19 0.17 -0.17 1.11 2.43 -0.96 -0.94 114.38 116.21 1jdf h ARG 279 Ca 0.15 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.19 1jdf h ARG 279 Cb 0.16 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1jdf h ARG 279 CO -0.19 0.11 -0.42 -0.09 -1.51 0.00 0.00 179.97 177.88 1jdf h ARG 280 N 0.18 0.39 -0.07 0.20 2.43 -0.94 -0.21 114.38 116.36 1jdf h ARG 280 Ca 0.15 -0.19 -0.16 0.00 -0.81 0.00 0.00 59.98 58.97 1jdf h ARG 280 Cb 0.17 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1jdf h ARG 280 CO -0.20 0.74 -0.65 0.00 -1.51 0.00 0.00 179.97 178.35 1jdf h ALA 281 N 1.24 0.75 0.00 2.80 0.00 -0.55 -3.34 119.26 120.16 1jdf h ALA 281 Ca 0.03 -0.57 -0.30 0.00 0.00 0.00 0.00 54.91 54.07 1jdf h ALA 281 Cb 0.87 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 1jdf h ALA 281 CO 0.07 0.75 -2.31 0.25 0.00 0.00 0.00 179.25 178.02 1jdf n THR 282 N -3.85 1.12 -1.02 0.00 -2.24 -0.40 -4.99 114.28 102.90 1jdf n THR 282 Ca -0.03 -0.79 -0.01 0.00 -2.27 0.00 0.00 64.05 60.95 1jdf n THR 282 Cb 0.65 -0.37 -0.00 0.00 -2.10 0.00 0.00 70.33 68.51 1jdf n THR 282 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jdf n GLY 283 N 1.65 0.48 3.84 3.38 0.00 -0.09 -4.89 105.19 109.56 1jdf n GLY 283 Ca -0.27 -0.61 -0.37 0.00 0.00 0.00 0.00 46.02 44.77 1jdf n GLY 283 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jdf s LEU 284 N -0.18 4.39 0.58 0.99 1.43 -1.25 -5.08 118.68 119.57 1jdf s LEU 284 Ca 0.00 0.61 -0.19 0.00 -1.03 0.00 0.00 54.13 53.52 1jdf s LEU 284 Cb 0.00 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 1jdf s LEU 284 CO 0.00 0.33 1.17 -2.84 0.23 0.00 0.00 176.35 175.25 1jdf s PRO 285 N -0.77 3.07 0.13 1.29 0.02 -1.26 -4.71 135.00 132.77 1jdf s PRO 285 Ca 0.17 1.72 0.10 0.00 0.02 0.00 0.00 61.00 63.02 1jdf s PRO 285 Cb -0.13 -1.95 -0.04 0.00 0.02 0.00 0.00 34.50 32.39 1jdf s PRO 285 CO 0.06 -1.10 -0.25 0.95 -0.33 0.00 0.00 177.00 176.34 1jdf s THR 286 N -1.72 2.08 0.16 0.99 -4.23 -1.26 -0.23 115.64 111.45 1jdf s THR 286 Ca 0.75 -1.71 0.05 0.00 -1.18 0.00 0.00 61.69 59.60 1jdf s THR 286 Cb -0.27 -1.87 -0.05 0.00 1.34 0.00 0.00 72.50 71.66 1jdf s THR 286 CO 0.32 0.02 -0.11 0.00 -0.54 0.00 0.00 174.62 174.31 1jdf s ALA 287 N -1.15 1.61 -0.03 3.99 0.00 -0.28 -0.21 121.76 125.69 1jdf s ALA 287 Ca 0.12 -1.55 -0.29 0.00 0.00 0.00 0.00 51.96 50.24 1jdf s ALA 287 Cb -0.10 0.03 0.07 0.00 0.00 0.00 0.00 23.12 23.12 1jdf s ALA 287 CO 0.06 -0.06 0.64 -0.08 0.00 0.00 0.00 175.76 176.32 1jdf s THR 288 N -3.24 0.00 -0.02 0.00 -1.32 -0.89 -1.19 115.64 108.98 1jdf s THR 288 Ca 0.19 -0.04 0.14 0.00 -1.21 0.00 0.00 61.69 60.77 1jdf s THR 288 Cb 0.02 -0.97 0.25 0.00 -1.51 0.00 0.00 72.50 70.28 1jdf s THR 288 CO 0.02 -0.02 1.10 -0.46 -2.21 0.00 0.00 174.62 173.05 1jdf n ASN 289 N 0.83 0.70 0.00 8.08 6.94 -1.26 -1.12 115.26 129.43 1jdf n ASN 289 Ca -0.19 -2.17 0.00 0.00 -0.02 0.00 0.00 54.58 52.20 1jdf n ASN 289 Cb 0.58 -0.28 0.00 0.00 -2.36 0.00 0.00 39.78 37.72 1jdf n ASN 289 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 1jdf n MET 290 N 0.10 0.89 0.00 -3.83 2.81 -1.26 -4.88 117.12 110.95 1jdf n MET 290 Ca 0.05 0.00 0.09 0.00 -1.81 0.00 0.00 57.70 56.02 1jdf n MET 290 Cb 0.91 -0.73 0.01 0.00 -0.71 0.00 0.00 33.22 32.70 1jdf n MET 290 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 1jdf n ILE 291 N -1.58 0.00 -3.21 2.02 -5.35 -1.26 -4.62 119.36 105.36 1jdf n ILE 291 Ca 0.00 -0.34 -0.23 0.00 -0.27 0.00 0.00 62.75 61.91 1jdf n ILE 291 Cb 0.23 1.22 -0.07 0.00 -1.74 0.00 0.00 39.64 39.28 1jdf n ILE 291 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jdf n ALA 292 N 0.02 2.04 0.43 -1.28 0.00 -1.26 -4.70 120.51 115.76 1jdf n ALA 292 Ca 0.08 -2.99 0.05 0.00 0.00 0.00 0.00 53.44 50.58 1jdf n ALA 292 Cb 0.37 -0.87 0.04 0.00 0.00 0.00 0.00 19.45 19.00 1jdf n ALA 292 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1jdf n THR 293 N 2.06 0.00 -3.99 0.00 -2.24 -1.26 -4.83 114.28 104.02 1jdf n THR 293 Ca 0.23 -0.50 -0.10 0.00 -2.27 0.00 0.00 64.05 61.42 1jdf n THR 293 Cb 0.52 1.21 -0.04 0.00 -2.10 0.00 0.00 70.33 69.92 1jdf n THR 293 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1jdf s ASP 294 N -0.88 0.06 0.36 3.42 1.47 -1.26 -4.84 116.67 115.00 1jdf s ASP 294 Ca 0.12 -1.02 0.09 0.00 1.18 0.00 0.00 52.55 52.92 1jdf s ASP 294 Cb 0.09 0.62 0.67 0.00 -0.34 0.00 0.00 42.92 43.96 1jdf s ASP 294 CO 0.13 -1.22 1.83 -0.50 0.68 0.00 0.00 175.17 176.10 1jdf h TRP 295 N 2.20 0.20 -0.19 2.11 4.06 -1.98 -0.53 115.95 121.82 1jdf h TRP 295 Ca -0.27 -0.04 -0.00 0.00 2.06 0.00 0.00 58.89 60.64 1jdf h TRP 295 Cb 1.25 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 29.35 1jdf h TRP 295 CO 0.64 0.44 0.10 -0.09 -3.56 0.00 0.00 178.44 175.97 1jdf h ARG 296 N 0.17 0.27 -0.27 0.49 2.43 -2.00 0.13 114.38 115.59 1jdf h ARG 296 Ca 0.03 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 1jdf h ARG 296 Cb 0.57 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 1jdf h ARG 296 CO 0.04 0.27 -0.15 1.96 -1.51 0.00 0.00 179.97 180.58 1jdf h GLN 297 N 0.20 0.47 -0.66 0.20 4.20 -1.83 -2.76 115.11 114.93 1jdf h GLN 297 Ca 0.07 -0.14 -0.07 0.00 0.06 0.00 0.00 58.65 58.56 1jdf h GLN 297 Cb 0.08 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 1jdf h GLN 297 CO -0.01 0.62 0.13 1.98 -0.67 0.00 0.00 178.83 180.87 1jdf h MET 298 N 0.43 1.08 -0.19 1.46 4.05 -0.44 -1.32 114.93 120.01 1jdf h MET 298 Ca 0.08 -0.27 0.03 0.00 -0.28 0.00 0.00 59.70 59.26 1jdf h MET 298 Cb 0.53 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 31.16 1jdf h MET 298 CO 0.03 0.98 -0.02 0.78 0.23 0.00 0.00 176.91 178.91 1jdf h GLY 299 N 1.06 0.16 2.00 1.39 0.00 -0.69 -0.99 103.07 106.00 1jdf h GLY 299 Ca 0.21 0.04 -0.09 0.00 0.00 0.00 0.00 47.33 47.48 1jdf h GLY 299 CO 0.01 -0.05 -0.44 0.45 0.00 0.00 0.00 176.54 176.51 1jdf h HIS 300 N 0.04 0.00 -0.70 5.60 -0.00 -1.49 -2.49 115.15 116.10 1jdf h HIS 300 Ca 0.09 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.42 1jdf h HIS 300 Cb 0.13 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.50 1jdf h HIS 300 CO -0.19 0.44 0.27 1.15 -0.00 0.00 0.00 177.93 179.59 1jdf h THR 301 N 0.00 1.24 -0.23 2.45 2.02 -0.48 -1.46 112.91 116.44 1jdf h THR 301 Ca -0.00 -0.77 -0.19 0.00 0.77 0.00 0.00 66.41 66.22 1jdf h THR 301 Cb 0.78 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1jdf h THR 301 CO 0.06 0.31 -0.60 -0.07 0.37 0.00 0.00 175.52 175.59 1jdf h LEU 302 N 1.01 0.85 -0.59 2.58 3.38 -0.82 0.28 115.31 122.01 1jdf h LEU 302 Ca 0.23 -0.48 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 1jdf h LEU 302 Cb 0.21 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1jdf h LEU 302 CO -0.02 1.25 0.30 0.28 0.09 0.00 0.00 178.44 180.34 1jdf h SER 303 N 0.57 0.76 1.06 -0.43 0.02 -1.16 -2.92 113.55 111.46 1jdf h SER 303 Ca -0.00 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1jdf h SER 303 Cb 1.19 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.53 1jdf h SER 303 CO 0.12 0.66 -0.46 -0.07 -1.14 0.00 0.00 176.83 175.95 1jdf h LEU 304 N 0.80 0.00 -2.09 5.07 3.38 -1.23 -3.48 115.31 117.76 1jdf h LEU 304 Ca 0.20 -0.15 -0.37 0.00 0.09 0.00 0.00 57.88 57.66 1jdf h LEU 304 Cb 0.09 0.00 0.11 0.00 0.09 0.00 0.00 40.66 40.95 1jdf h LEU 304 CO -0.03 0.07 -0.84 0.00 0.09 0.00 0.00 178.44 177.73 1jdf n GLN 305 N -2.20 -4.18 0.11 1.13 6.02 0.94 -4.84 117.38 114.37 1jdf n GLN 305 Ca 0.04 0.68 0.12 0.00 -0.01 0.00 0.00 57.00 57.83 1jdf n GLN 305 Cb 0.44 -5.27 0.12 0.00 1.02 0.00 0.00 30.24 26.55 1jdf n GLN 305 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 1jdf h SER 306 N -1.73 0.00 -3.47 1.08 0.02 -1.69 -3.44 113.55 104.32 1jdf h SER 306 Ca -0.62 -0.07 -0.41 0.00 -0.84 0.00 0.00 61.79 59.86 1jdf h SER 306 Cb 1.35 0.00 -0.34 0.00 0.14 0.00 0.00 62.40 63.55 1jdf h SER 306 CO 0.52 0.04 -0.77 -0.69 -1.14 0.00 0.00 176.83 174.78 1jdf s VAL 307 N -3.25 0.54 -0.10 2.27 1.01 -1.26 -4.40 120.40 115.21 1jdf s VAL 307 Ca 0.04 -0.13 0.06 0.00 0.00 0.00 0.00 61.98 61.95 1jdf s VAL 307 Cb 0.10 -0.56 -0.24 0.00 0.00 0.00 0.00 36.38 35.68 1jdf s VAL 307 CO 0.73 0.22 0.46 0.47 0.00 0.00 0.00 175.10 176.98 1jdf n ASP 308 N 4.00 1.26 -3.90 3.32 9.92 -0.48 -4.78 116.55 125.89 1jdf n ASP 308 Ca -0.25 0.28 -0.30 0.00 -0.53 0.00 0.00 54.79 53.98 1jdf n ASP 308 Cb 0.51 -0.24 -0.14 0.00 -0.64 0.00 0.00 41.12 40.60 1jdf n ASP 308 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1jdf s ILE 309 N -2.57 1.98 -0.16 0.53 1.01 0.71 -1.16 121.20 121.54 1jdf s ILE 309 Ca -0.13 -2.50 -0.29 0.00 0.00 0.00 0.00 60.65 57.73 1jdf s ILE 309 Cb 0.07 -2.43 -0.01 0.00 0.01 0.00 0.00 42.46 40.10 1jdf s ILE 309 CO 0.79 -0.72 1.20 -2.84 0.00 0.00 0.00 174.94 173.38 1jdf s PRO 310 N 0.59 4.26 -1.07 2.79 0.02 -1.22 -2.11 135.00 138.27 1jdf s PRO 310 Ca 0.14 1.60 -0.15 0.00 0.02 0.00 0.00 61.00 62.60 1jdf s PRO 310 Cb -0.22 -3.70 0.17 0.00 0.02 0.00 0.00 34.50 30.77 1jdf s PRO 310 CO -0.07 -0.64 1.25 -0.51 -0.33 0.00 0.00 177.00 176.70 1jdf s LEU 311 N 3.18 5.24 -1.24 -5.54 1.43 -0.28 -2.34 118.68 119.13 1jdf s LEU 311 Ca 0.53 -2.65 -0.17 0.00 -1.03 0.00 0.00 54.13 50.81 1jdf s LEU 311 Cb -0.21 -2.38 0.10 0.00 0.03 0.00 0.00 46.19 43.74 1jdf s LEU 311 CO 0.14 -0.83 1.60 0.00 0.23 0.00 0.00 176.35 177.49 1jdf s ALA 312 N 1.74 3.51 -0.02 4.21 0.00 -0.55 -3.97 121.76 126.68 1jdf s ALA 312 Ca 0.37 -3.02 -0.30 0.00 0.00 0.00 0.00 51.96 49.01 1jdf s ALA 312 Cb -0.04 -4.45 -0.08 0.00 0.00 0.00 0.00 23.12 18.55 1jdf s ALA 312 CO -0.05 -3.14 1.94 0.34 0.00 0.00 0.00 175.76 174.85 1jdf s ASP 313 N 3.80 6.36 0.60 0.00 3.68 -1.26 -4.57 116.67 125.27 1jdf s ASP 313 Ca 0.49 2.47 0.30 0.00 2.13 0.00 0.00 52.55 57.94 1jdf s ASP 313 Cb 0.01 -2.53 1.75 0.00 -1.45 0.00 0.00 42.92 40.71 1jdf s ASP 313 CO 0.04 -1.15 2.16 1.55 0.13 0.00 0.00 175.17 177.89 1jdf h PRO 314 N 10.98 0.00 -0.43 4.34 0.13 -1.83 -2.01 132.00 143.18 1jdf h PRO 314 Ca -0.46 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 1jdf h PRO 314 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1jdf h PRO 314 CO 0.95 0.00 0.09 0.45 -0.23 0.00 0.00 178.00 179.25 1jdf h HIS 315 N 0.00 0.67 -0.24 1.56 3.86 -1.89 0.63 115.15 119.74 1jdf h HIS 315 Ca 0.05 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1jdf h HIS 315 Cb 0.30 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.57 1jdf h HIS 315 CO 0.00 0.59 0.00 1.97 0.86 0.00 0.00 177.93 181.35 1jdf n PHE 316 N -4.30 0.31 0.03 2.45 1.16 -0.81 -4.15 117.46 112.16 1jdf n PHE 316 Ca 0.03 -0.30 0.01 0.00 -1.87 0.00 0.00 57.45 55.32 1jdf n PHE 316 Cb 0.22 -0.01 -0.02 0.00 -1.61 0.00 0.00 39.48 38.06 1jdf n PHE 316 CO 0.00 0.00 0.00 0.91 -1.87 0.00 0.00 176.76 175.80 1jdf n TRP 317 N 0.68 0.00 0.00 2.97 7.02 -0.86 -4.92 117.44 122.33 1jdf n TRP 317 Ca 0.11 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.59 1jdf n TRP 317 Cb 0.40 -0.03 0.00 0.00 -2.42 0.00 0.00 31.31 29.25 1jdf n TRP 317 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1jdf n THR 318 N -1.41 0.00 -0.04 -0.99 -2.24 0.22 -3.69 114.28 106.13 1jdf n THR 318 Ca -0.00 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 1jdf n THR 318 Cb 0.05 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.23 1jdf n THR 318 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 1jdf h MET 319 N 0.00 0.24 -0.14 -0.78 0.00 -1.91 0.54 114.93 112.88 1jdf h MET 319 Ca 0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 59.70 59.54 1jdf h MET 319 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 31.60 31.55 1jdf h MET 319 CO 0.00 0.38 -0.37 1.96 0.00 0.00 0.00 176.91 178.88 1jdf h GLN 320 N 0.06 0.29 -0.35 1.72 4.20 -1.93 -1.80 115.11 117.30 1jdf h GLN 320 Ca 0.05 -0.13 -0.13 0.00 0.06 0.00 0.00 58.65 58.50 1jdf h GLN 320 Cb 0.24 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1jdf h GLN 320 CO -0.00 0.62 -0.28 0.78 -0.67 0.00 0.00 178.83 179.28 1jdf h GLY 321 N 1.14 0.88 1.09 3.46 0.00 -1.60 -1.28 103.07 106.77 1jdf h GLY 321 Ca 0.03 -0.87 -0.04 0.00 0.00 0.00 0.00 47.33 46.45 1jdf h GLY 321 CO 0.06 0.78 0.34 0.23 0.00 0.00 0.00 176.54 177.96 1jdf h SER 322 N 0.60 1.07 -0.50 0.19 0.87 -0.70 -1.60 113.55 113.48 1jdf h SER 322 Ca 0.07 -0.15 -0.10 0.00 -1.23 0.00 0.00 61.79 60.37 1jdf h SER 322 Cb 0.85 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.52 1jdf h SER 322 CO 0.07 0.92 -0.08 0.58 -0.53 0.00 0.00 176.83 177.80 1jdf h VAL 323 N 1.14 1.26 -0.82 2.23 2.07 -1.20 -0.84 116.25 120.10 1jdf h VAL 323 Ca 0.27 -1.21 0.03 0.00 0.82 0.00 0.00 66.70 66.61 1jdf h VAL 323 Cb 0.17 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 1jdf h VAL 323 CO -0.03 0.43 0.54 0.03 0.02 0.00 0.00 177.57 178.56 1jdf h ARG 324 N 0.87 1.01 -0.56 1.57 3.08 -0.59 0.21 114.38 119.97 1jdf h ARG 324 Ca 0.14 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 60.02 1jdf h ARG 324 Cb 0.62 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 1jdf h ARG 324 CO 0.04 0.67 -0.09 0.28 -1.07 0.00 0.00 179.97 179.80 1jdf h VAL 325 N 1.04 1.27 -0.67 2.04 2.07 -0.76 -1.24 116.25 119.99 1jdf h VAL 325 Ca 0.32 -1.25 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 1jdf h VAL 325 Cb -0.00 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1jdf h VAL 325 CO -0.09 0.44 0.33 0.00 0.02 0.00 0.00 177.57 178.27 1jdf h ALA 326 N 0.96 1.31 -0.25 1.67 0.00 0.37 -0.17 119.26 123.15 1jdf h ALA 326 Ca 0.15 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1jdf h ALA 326 Cb 0.65 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1jdf h ALA 326 CO 0.05 0.54 -0.27 1.96 0.00 0.00 0.00 179.25 181.52 1jdf h GLN 327 N 0.95 0.62 -0.88 0.00 4.20 -0.40 -2.65 115.11 116.96 1jdf h GLN 327 Ca 0.23 -0.34 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1jdf h GLN 327 Cb 0.09 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.84 1jdf h GLN 327 CO -0.03 0.94 0.56 1.98 -0.67 0.00 0.00 178.83 181.61 1jdf h MET 328 N 0.34 1.17 -0.23 1.46 4.05 -0.77 0.44 114.93 121.38 1jdf h MET 328 Ca 0.04 -0.08 -0.01 0.00 -0.28 0.00 0.00 59.70 59.36 1jdf h MET 328 Cb 0.84 -0.26 -0.01 0.00 -0.80 0.00 0.00 31.60 31.37 1jdf h MET 328 CO 0.07 0.79 0.11 0.00 0.23 0.00 0.00 176.91 178.11 1jdf h HIS 330 N 0.24 0.74 0.00 0.00 6.17 -1.10 0.48 115.15 121.68 1jdf h HIS 330 Ca 0.08 -0.06 -0.09 0.00 0.71 0.00 0.00 60.37 61.01 1jdf h HIS 330 Cb 0.12 -0.22 -0.01 0.00 2.52 0.00 0.00 27.41 29.82 1jdf h HIS 330 CO -0.02 0.62 -0.42 0.93 0.71 0.00 0.00 177.93 179.76 1jdf h GLU 331 N 0.64 0.00 -0.02 5.26 5.08 -0.66 -3.14 114.58 121.74 1jdf h GLU 331 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1jdf h GLU 331 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1jdf h GLU 331 CO -0.01 0.42 -0.37 1.19 -1.00 0.00 0.00 179.01 179.23 1jdf n PHE 332 N -3.92 0.00 -0.45 4.33 3.72 0.70 -4.98 117.46 116.86 1jdf n PHE 332 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1jdf n PHE 332 Cb 0.46 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 1jdf n PHE 332 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1jdf n GLY 333 N 1.32 0.77 0.41 1.37 0.00 0.21 -5.04 105.19 104.23 1jdf n GLY 333 Ca 0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 1jdf n GLY 333 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jdf n LEU 334 N 0.00 0.00 -3.86 0.99 4.77 0.14 -4.99 117.00 114.05 1jdf n LEU 334 Ca 0.00 -0.20 -0.26 0.00 -0.03 0.00 0.00 56.01 55.52 1jdf n LEU 334 Cb 0.00 -0.08 -0.17 0.00 -2.33 0.00 0.00 43.42 40.84 1jdf n LEU 334 CO 0.00 -0.57 -0.42 -0.89 -1.33 0.00 0.00 177.39 174.18 1jdf s THR 335 N -0.49 0.82 0.33 -5.08 2.01 -0.30 -4.33 115.64 108.60 1jdf s THR 335 Ca 0.07 -0.16 -0.26 0.00 0.31 0.00 0.00 61.69 61.66 1jdf s THR 335 Cb -0.00 -0.88 -0.10 0.00 0.01 0.00 0.00 72.50 71.52 1jdf s THR 335 CO 0.05 0.33 0.95 0.86 -0.69 0.00 0.00 174.62 176.12 1jdf s TRP 336 N 1.78 3.65 0.34 4.92 -0.00 -1.26 -3.43 118.94 124.94 1jdf s TRP 336 Ca 0.05 1.76 -0.04 0.00 -0.00 0.00 0.00 56.10 57.88 1jdf s TRP 336 Cb -0.12 -2.92 0.00 0.00 -0.00 0.00 0.00 33.47 30.43 1jdf s TRP 336 CO -0.07 0.17 0.49 0.20 -0.00 0.00 0.00 176.95 177.74 1jdf s GLY 337 N -1.68 1.39 0.01 5.86 0.00 -0.99 -2.15 107.32 109.76 1jdf s GLY 337 Ca 0.51 -1.45 0.01 0.00 0.00 0.00 0.00 44.72 43.79 1jdf s GLY 337 CO 0.23 -0.95 -0.03 -0.45 0.00 0.00 0.00 173.10 171.89 1jdf s SER 338 N -3.22 0.38 0.23 1.64 0.15 -1.26 -1.48 113.70 110.14 1jdf s SER 338 Ca 0.29 -0.22 0.06 0.00 0.70 0.00 0.00 55.95 56.79 1jdf s SER 338 Cb -0.01 0.00 -0.04 0.00 -1.71 0.00 0.00 66.02 64.27 1jdf s SER 338 CO 0.19 -0.07 0.21 -2.28 1.20 0.00 0.00 173.24 172.49 1jdf s HIS 339 N -0.55 3.18 0.25 3.44 5.65 -1.25 -2.57 115.29 123.44 1jdf s HIS 339 Ca -0.04 -0.07 -0.05 0.00 0.25 0.00 0.00 55.06 55.14 1jdf s HIS 339 Cb -0.04 -1.46 -0.02 0.00 -1.18 0.00 0.00 32.58 29.88 1jdf s HIS 339 CO -0.00 0.51 0.34 -1.54 -0.65 0.00 0.00 174.74 173.40 1jdf s SER 340 N -3.70 0.29 0.17 9.88 1.04 -1.26 -4.34 113.70 115.77 1jdf s SER 340 Ca 0.33 -1.25 0.02 0.00 0.48 0.00 0.00 55.95 55.53 1jdf s SER 340 Cb -0.09 0.53 -0.05 0.00 0.10 0.00 0.00 66.02 66.51 1jdf s SER 340 CO 0.25 -1.06 -0.00 -1.81 0.98 0.00 0.00 173.24 171.60 1jdf s ASP 341 N -3.13 1.23 0.02 7.02 1.01 -1.26 -4.91 116.67 116.64 1jdf s ASP 341 Ca 0.31 -1.16 -0.37 0.00 0.71 0.00 0.00 52.55 52.04 1jdf s ASP 341 Cb 0.02 0.11 -0.16 0.00 1.01 0.00 0.00 42.92 43.91 1jdf s ASP 341 CO 0.13 -0.56 1.47 0.59 0.21 0.00 0.00 175.17 177.01 1jdf n ASN 342 N -0.23 2.03 -3.72 0.27 4.13 -1.26 -4.61 115.26 111.87 1jdf n ASN 342 Ca -0.07 1.10 -0.13 0.00 1.68 0.00 0.00 54.58 57.16 1jdf n ASN 342 Cb 0.63 -1.22 -0.07 0.00 -1.54 0.00 0.00 39.78 37.58 1jdf n ASN 342 CO 0.00 0.00 0.00 -1.38 0.28 0.00 0.00 177.26 176.16 1jdf s HIS 343 N 1.25 1.06 0.09 3.10 -3.43 -1.26 -4.93 115.29 111.17 1jdf s HIS 343 Ca 0.87 -1.26 0.01 0.00 -0.80 0.00 0.00 55.06 53.88 1jdf s HIS 343 Cb -0.93 -0.28 0.01 0.00 -1.43 0.00 0.00 32.58 29.95 1jdf s HIS 343 CO 0.49 -0.91 0.11 1.19 -2.00 0.00 0.00 174.74 173.63 1jdf n PHE 344 N -0.44 -2.56 0.78 0.38 3.01 -1.26 -4.76 117.46 112.60 1jdf n PHE 344 Ca 0.02 -0.34 0.09 0.00 1.01 0.00 0.00 57.45 58.23 1jdf n PHE 344 Cb 0.63 -0.08 0.45 0.00 -0.01 0.00 0.00 39.48 40.46 1jdf n PHE 344 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1jdf n ASP 345 N -2.70 0.00 -0.01 4.37 5.75 -1.26 -2.80 116.55 119.91 1jdf n ASP 345 Ca 0.02 0.30 -0.17 0.00 -0.01 0.00 0.00 54.79 54.93 1jdf n ASP 345 Cb 0.10 -0.41 -0.12 0.00 -1.03 0.00 0.00 41.12 39.65 1jdf n ASP 345 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 1jdf h ILE 346 N 0.00 1.55 -0.62 2.12 2.04 -1.96 -2.81 117.51 117.83 1jdf h ILE 346 Ca 0.00 -2.19 -0.02 0.00 1.00 0.00 0.00 64.86 63.64 1jdf h ILE 346 Cb 0.27 2.94 -0.03 0.00 -0.74 0.00 0.00 36.82 39.26 1jdf h ILE 346 CO 0.00 0.61 0.29 0.28 0.00 0.00 0.00 178.15 179.33 1jdf h SER 347 N -0.45 0.79 -0.73 1.72 0.02 -1.84 -0.65 113.55 112.41 1jdf h SER 347 Ca -0.07 -0.08 0.08 0.00 -0.84 0.00 0.00 61.79 60.88 1jdf h SER 347 Cb 1.24 -0.20 -0.07 0.00 0.14 0.00 0.00 62.40 63.52 1jdf h SER 347 CO 0.09 0.68 0.40 0.25 -1.14 0.00 0.00 176.83 177.10 1jdf h LEU 348 N 0.88 0.57 -0.40 5.07 5.85 -1.52 -0.32 115.31 125.44 1jdf h LEU 348 Ca 0.22 0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.86 1jdf h LEU 348 Cb 0.10 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1jdf h LEU 348 CO -0.03 0.34 -0.24 0.00 -0.34 0.00 0.00 178.44 178.18 1jdf h ALA 349 N 1.40 0.56 0.01 1.25 0.00 -1.05 -1.98 119.26 119.46 1jdf h ALA 349 Ca 0.34 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1jdf h ALA 349 Cb 0.29 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1jdf h ALA 349 CO -0.23 0.55 -0.28 0.52 0.00 0.00 0.00 179.25 179.81 1jdf h MET 350 N 0.67 -0.42 0.00 0.00 2.86 0.27 -1.65 114.93 116.66 1jdf h MET 350 Ca 0.08 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1jdf h MET 350 Cb 0.80 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.56 1jdf h MET 350 CO 0.07 -0.28 -0.00 0.27 1.06 0.00 0.00 176.91 178.02 1jdf h PHE 351 N -0.44 0.00 -0.66 -0.22 -0.00 -1.17 -2.30 116.94 112.15 1jdf h PHE 351 Ca 0.06 0.00 -0.03 0.00 -0.00 0.00 0.00 57.97 58.00 1jdf h PHE 351 Cb 0.52 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 36.44 1jdf h PHE 351 CO -0.31 0.00 0.28 1.15 -0.00 0.00 0.00 178.31 179.43 1jdf h THR 352 N 0.00 1.24 -0.02 0.88 2.02 -0.86 0.13 112.91 116.30 1jdf h THR 352 Ca 0.00 -0.71 -0.17 0.00 0.77 0.00 0.00 66.41 66.30 1jdf h THR 352 Cb 0.89 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1jdf h THR 352 CO 0.00 0.29 -0.75 0.45 0.37 0.00 0.00 175.52 175.87 1jdf h HIS 353 N 0.93 0.20 0.10 3.16 3.86 -1.18 -1.47 115.15 120.75 1jdf h HIS 353 Ca 0.22 -0.09 -0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1jdf h HIS 353 Cb 0.18 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.62 1jdf h HIS 353 CO 0.01 0.84 -0.05 0.28 0.86 0.00 0.00 177.93 179.87 1jdf h VAL 354 N 0.09 1.04 -0.14 2.45 2.07 -1.04 -2.73 116.25 117.99 1jdf h VAL 354 Ca -0.02 -0.51 -0.04 0.00 0.82 0.00 0.00 66.70 66.95 1jdf h VAL 354 Cb 1.32 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 1jdf h VAL 354 CO 0.11 0.13 -0.07 0.00 0.02 0.00 0.00 177.57 177.75 1jdf h ALA 355 N 0.52 1.61 0.00 1.67 0.00 -0.99 -1.25 119.26 120.82 1jdf h ALA 355 Ca -0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1jdf h ALA 355 Cb 0.30 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1jdf h ALA 355 CO 0.02 0.28 -0.01 0.00 0.00 0.00 0.00 179.25 179.54 1jdf h ALA 356 N 1.72 1.03 -0.32 0.00 0.00 -1.01 -1.97 119.26 118.71 1jdf h ALA 356 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1jdf h ALA 356 Cb 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1jdf h ALA 356 CO 0.01 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1jdf n ALA 357 N -2.10 2.39 -2.66 0.00 0.00 -0.49 0.23 120.51 117.88 1jdf n ALA 357 Ca -0.01 -0.95 -0.42 0.00 0.00 0.00 0.00 53.44 52.06 1jdf n ALA 357 Cb 0.18 -0.72 -0.04 0.00 0.00 0.00 0.00 19.45 18.88 1jdf n ALA 357 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jdf s ALA 358 N -1.33 3.56 0.52 0.00 0.00 -0.74 -4.61 121.76 119.17 1jdf s ALA 358 Ca 0.32 0.03 -0.15 0.00 0.00 0.00 0.00 51.96 52.15 1jdf s ALA 358 Cb 0.19 -3.29 -0.07 0.00 0.00 0.00 0.00 23.12 19.95 1jdf s ALA 358 CO 0.26 -0.76 0.97 -1.25 0.00 0.00 0.00 175.76 174.99 1jdf s PRO 359 N 2.42 3.88 2.60 0.00 0.04 -1.26 -4.76 135.00 137.92 1jdf s PRO 359 Ca 0.38 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.31 1jdf s PRO 359 Cb -0.16 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.23 1jdf s PRO 359 CO 0.11 -0.30 0.00 0.41 0.04 0.00 0.00 177.00 177.26 1jdf n GLY 360 N -1.74 -0.54 3.65 0.56 0.00 -1.26 -4.70 105.19 101.16 1jdf n GLY 360 Ca 0.06 -1.11 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 1jdf n GLY 360 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jdf s LYS 361 N 0.00 4.21 0.26 1.61 0.00 -1.26 -5.04 119.74 119.51 1jdf s LYS 361 Ca 0.00 0.83 0.10 0.00 0.00 0.00 0.00 55.97 56.90 1jdf s LYS 361 Cb 0.00 -3.61 -0.04 0.00 0.00 0.00 0.00 37.83 34.17 1jdf s LYS 361 CO 0.00 -0.39 -0.06 0.96 0.00 0.00 0.00 175.35 175.86 1jdf s ILE 362 N 2.40 3.18 0.65 3.79 -4.36 -1.26 -4.45 121.20 121.15 1jdf s ILE 362 Ca 0.33 -1.99 -0.05 0.00 -0.26 0.00 0.00 60.65 58.68 1jdf s ILE 362 Cb -0.16 -2.67 0.04 0.00 1.25 0.00 0.00 42.46 40.92 1jdf s ILE 362 CO 0.09 -0.34 0.94 0.28 0.24 0.00 0.00 174.94 176.16 1jdf s THR 363 N -2.27 2.73 0.30 8.37 -1.32 -0.91 -5.00 115.64 117.54 1jdf s THR 363 Ca 0.30 -0.26 -0.30 0.00 -1.21 0.00 0.00 61.69 60.22 1jdf s THR 363 Cb -0.06 -3.13 -0.12 0.00 -1.51 0.00 0.00 72.50 67.68 1jdf s THR 363 CO 0.18 -0.13 1.61 0.00 -2.21 0.00 0.00 174.62 174.07 1jdf n ALA 364 N -2.73 2.63 -2.19 11.08 0.00 -1.26 -4.83 120.51 123.20 1jdf n ALA 364 Ca 0.07 0.37 -0.41 0.00 0.00 0.00 0.00 53.44 53.47 1jdf n ALA 364 Cb 0.60 -2.47 -0.04 0.00 0.00 0.00 0.00 19.45 17.53 1jdf n ALA 364 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1jdf s ILE 365 N 0.00 4.22 0.33 0.00 -1.09 -0.10 -4.64 121.20 119.91 1jdf s ILE 365 Ca 0.64 1.85 -0.27 0.00 -2.23 0.00 0.00 60.65 60.63 1jdf s ILE 365 Cb -0.49 -4.18 -0.09 0.00 -1.58 0.00 0.00 42.46 36.12 1jdf s ILE 365 CO 0.48 0.29 1.12 -1.81 -1.23 0.00 0.00 174.94 173.79 1jdf s ASP 366 N 0.02 6.99 -0.27 3.58 1.11 -1.06 -0.87 116.67 126.17 1jdf s ASP 366 Ca 0.49 2.27 -0.25 0.00 0.18 0.00 0.00 52.55 55.24 1jdf s ASP 366 Cb -0.26 -2.62 0.08 0.00 1.07 0.00 0.00 42.92 41.19 1jdf s ASP 366 CO 0.32 -0.34 0.77 0.28 1.18 0.00 0.00 175.17 177.38 1jdf s THR 367 N -1.31 0.00 -1.80 -1.27 -1.32 -1.26 -4.55 115.64 104.13 1jdf s THR 367 Ca 0.50 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 61.23 1jdf s THR 367 Cb -0.30 -1.00 0.14 0.00 -1.51 0.00 0.00 72.50 69.83 1jdf s THR 367 CO 0.39 0.00 1.37 1.41 -2.21 0.00 0.00 174.62 175.58 1jdf n HIS 368 N 2.69 0.00 -0.34 9.09 8.25 -1.26 -4.29 115.22 129.36 1jdf n HIS 368 Ca -0.14 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.49 1jdf n HIS 368 Cb 0.55 -0.08 0.32 0.00 1.12 0.00 0.00 29.99 31.91 1jdf n HIS 368 CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85 1jdf n TRP 369 N -0.49 0.69 0.16 4.41 -0.00 -1.26 -0.90 117.44 120.05 1jdf n TRP 369 Ca 0.11 1.20 0.19 0.00 -0.00 0.00 0.00 57.50 59.00 1jdf n TRP 369 Cb 0.39 -1.28 0.78 0.00 -0.00 0.00 0.00 31.31 31.20 1jdf n TRP 369 CO 0.00 0.00 0.00 -0.84 -0.00 0.00 0.00 177.69 176.85 1jdf h ILE 370 N 0.00 0.33 0.00 5.87 3.07 -1.95 0.40 117.51 125.23 1jdf h ILE 370 Ca 0.63 0.00 -0.12 0.00 1.55 0.00 0.00 64.86 66.92 1jdf h ILE 370 Cb 1.35 0.70 -0.02 0.00 -0.27 0.00 0.00 36.82 38.58 1jdf h ILE 370 CO -0.92 0.00 -0.59 -0.50 -1.05 0.00 0.00 178.15 175.08 1jdf h TRP 371 N 0.00 0.00 0.00 0.16 4.06 -1.39 -3.33 115.95 115.45 1jdf h TRP 371 Ca 0.14 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.09 1jdf h TRP 371 Cb 0.87 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.03 1jdf h TRP 371 CO 0.00 0.59 -1.59 1.04 -3.56 0.00 0.00 178.44 174.92 1jdf n GLN 372 N -3.29 0.70 -1.76 0.49 3.00 0.26 -4.81 117.38 111.97 1jdf n GLN 372 Ca 0.01 -0.13 -0.36 0.00 -0.01 0.00 0.00 57.00 56.52 1jdf n GLN 372 Cb 0.75 -1.37 0.06 0.00 0.00 0.00 0.00 30.24 29.68 1jdf n GLN 372 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 1jdf s GLU 373 N -3.05 2.61 0.00 -1.09 -6.30 0.11 -3.34 118.70 107.64 1jdf s GLU 373 Ca -0.04 1.87 0.00 0.00 -2.50 0.00 0.00 54.97 54.30 1jdf s GLU 373 Cb 0.11 -1.88 0.00 0.00 0.00 0.00 0.00 34.13 32.36 1jdf s GLU 373 CO 0.69 -1.50 0.00 0.41 0.02 0.00 0.00 175.26 174.87 1jdf n GLY 374 N 0.56 2.77 0.47 -1.50 0.00 -1.26 -4.66 105.19 101.57 1jdf n GLY 374 Ca 0.14 -0.68 0.05 0.00 0.00 0.00 0.00 46.02 45.54 1jdf n GLY 374 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jdf n ASN 375 N 2.48 2.81 -3.86 1.61 2.04 -1.26 -5.00 115.26 114.09 1jdf n ASN 375 Ca 0.00 -2.29 -0.12 0.00 -0.44 0.00 0.00 54.58 51.74 1jdf n ASN 375 Cb 0.00 -0.25 -0.12 0.00 -2.53 0.00 0.00 39.78 36.89 1jdf n ASN 375 CO 0.00 0.00 0.00 -1.10 -0.44 0.00 0.00 177.26 175.72 1jdf s GLN 376 N -1.51 0.29 -0.23 -3.83 -0.21 -1.21 -5.11 119.66 107.85 1jdf s GLN 376 Ca 0.21 -0.12 -0.31 0.00 0.02 0.00 0.00 55.36 55.17 1jdf s GLN 376 Cb 0.14 0.12 0.16 0.00 1.00 0.00 0.00 33.01 34.44 1jdf s GLN 376 CO 0.09 -0.06 1.22 -0.98 -2.12 0.00 0.00 175.29 173.45 1jdf s ARG 377 N -0.63 0.27 0.00 2.91 1.70 -1.26 -4.71 118.95 117.23 1jdf s ARG 377 Ca -0.07 0.02 0.02 0.00 -0.47 0.00 0.00 55.73 55.22 1jdf s ARG 377 Cb -0.04 0.12 -0.01 0.00 -0.57 0.00 0.00 34.95 34.45 1jdf s ARG 377 CO 0.01 -0.09 0.14 1.28 -1.08 0.00 0.00 175.30 175.56 1jdf n LEU 378 N 0.42 0.24 -4.62 -1.89 4.77 -1.26 -4.77 117.00 109.88 1jdf n LEU 378 Ca -0.03 -0.58 -0.25 0.00 -0.03 0.00 0.00 56.01 55.13 1jdf n LEU 378 Cb 0.58 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.59 1jdf n LEU 378 CO 0.10 0.06 -0.31 0.42 -1.33 0.00 0.00 177.39 176.32 1jdf s THR 379 N -0.99 2.57 0.10 -5.08 -4.23 -1.26 -0.36 115.64 106.39 1jdf s THR 379 Ca 0.01 -2.01 -0.20 0.00 -1.18 0.00 0.00 61.69 58.31 1jdf s THR 379 Cb 0.01 -2.78 -0.09 0.00 1.34 0.00 0.00 72.50 70.99 1jdf s THR 379 CO 0.06 -0.20 1.72 0.11 -0.54 0.00 0.00 174.62 175.77 1jdf h LYS 380 N 1.84 0.22 -3.18 3.99 1.79 -1.03 -3.40 116.57 116.80 1jdf h LYS 380 Ca -0.43 -0.02 -0.60 0.00 -2.18 0.00 0.00 60.65 57.42 1jdf h LYS 380 Cb 1.25 -0.05 -0.40 0.00 -1.58 0.00 0.00 32.23 31.46 1jdf h LYS 380 CO 0.67 0.21 -0.74 -1.21 -1.08 0.00 0.00 179.45 177.30 1jdf s GLU 381 N -5.95 1.12 0.36 3.15 2.02 -1.26 -5.10 118.70 113.05 1jdf s GLU 381 Ca -0.13 -1.74 -0.27 0.00 0.02 0.00 0.00 54.97 52.84 1jdf s GLU 381 Cb 0.08 -2.25 -0.12 0.00 0.10 0.00 0.00 34.13 31.94 1jdf s GLU 381 CO 0.69 -1.11 1.32 -2.30 0.02 0.00 0.00 175.26 173.88 1jdf n PRO 382 N 3.92 2.17 -1.85 0.39 -0.02 -1.26 -4.92 135.00 133.42 1jdf n PRO 382 Ca 0.06 0.76 -0.38 0.00 -2.02 0.00 0.00 63.50 61.92 1jdf n PRO 382 Cb 0.37 -2.39 0.03 0.00 -0.02 0.00 0.00 33.50 31.49 1jdf n PRO 382 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1jdf s PHE 383 N -1.12 2.39 0.12 6.00 0.40 -1.26 -4.99 117.98 119.53 1jdf s PHE 383 Ca 0.56 1.38 0.07 0.00 -0.60 0.00 0.00 56.93 58.34 1jdf s PHE 383 Cb -0.54 -3.76 -0.04 0.00 0.51 0.00 0.00 43.02 39.19 1jdf s PHE 383 CO 0.62 -2.71 -0.05 -1.21 0.70 0.00 0.00 175.22 172.57 1jdf s GLU 384 N -2.81 2.29 -0.26 0.44 2.02 -1.26 -5.10 118.70 114.02 1jdf s GLU 384 Ca 0.69 -1.01 -0.08 0.00 0.02 0.00 0.00 54.97 54.58 1jdf s GLU 384 Cb -0.39 -2.37 -0.03 0.00 0.10 0.00 0.00 34.13 31.44 1jdf s GLU 384 CO 0.47 0.50 0.10 0.42 0.02 0.00 0.00 175.26 176.77 1jdf s ILE 385 N -1.39 4.59 -0.05 -1.63 1.01 -1.26 -4.37 121.20 118.10 1jdf s ILE 385 Ca 0.24 -0.08 -0.00 0.00 0.00 0.00 0.00 60.65 60.81 1jdf s ILE 385 Cb -0.11 -3.16 0.03 0.00 0.01 0.00 0.00 42.46 39.23 1jdf s ILE 385 CO 0.16 0.32 -0.01 -0.54 0.00 0.00 0.00 174.94 174.87 1jdf s LYS 386 N 1.65 0.52 -1.36 2.79 1.02 0.20 -4.70 119.74 119.87 1jdf s LYS 386 Ca 0.07 0.05 0.00 0.00 0.02 0.00 0.00 55.97 56.11 1jdf s LYS 386 Cb -0.15 -0.73 0.00 0.00 -0.52 0.00 0.00 37.83 36.42 1jdf s LYS 386 CO 0.06 -0.18 0.00 0.41 -0.92 0.00 0.00 175.35 174.71 1jdf n GLY 387 N 4.49 0.15 2.63 -3.33 0.00 -0.71 -1.15 105.19 107.26 1jdf n GLY 387 Ca -0.19 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1jdf n GLY 387 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jdf n GLY 388 N -1.04 0.43 3.49 -0.02 0.00 -0.46 -4.72 105.19 102.87 1jdf n GLY 388 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 1jdf n GLY 388 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jdf s LEU 389 N 0.00 2.70 -0.10 0.99 1.43 -0.30 0.01 118.68 123.41 1jdf s LEU 389 Ca 0.00 -0.53 0.03 0.00 -1.03 0.00 0.00 54.13 52.60 1jdf s LEU 389 Cb 0.00 -1.56 0.01 0.00 0.03 0.00 0.00 46.19 44.67 1jdf s LEU 389 CO 0.00 0.19 -0.19 -0.69 0.23 0.00 0.00 176.35 175.89 1jdf s VAL 390 N -1.11 1.72 0.17 -1.59 1.01 -0.16 -0.63 120.40 119.82 1jdf s VAL 390 Ca 0.18 -0.80 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 1jdf s VAL 390 Cb -0.11 -1.53 -0.07 0.00 0.00 0.00 0.00 36.38 34.67 1jdf s VAL 390 CO 0.09 0.49 1.00 -1.10 0.00 0.00 0.00 175.10 175.58 1jdf s GLN 391 N 0.66 4.71 -0.29 2.72 -1.52 -1.26 -0.05 119.66 124.63 1jdf s GLN 391 Ca -0.13 1.54 -0.24 0.00 -1.95 0.00 0.00 55.36 54.58 1jdf s GLN 391 Cb -0.16 -3.32 0.00 0.00 -0.22 0.00 0.00 33.01 29.31 1jdf s GLN 391 CO 0.03 0.26 0.83 0.08 -0.25 0.00 0.00 175.29 176.24 1jdf s VAL 392 N -0.43 4.78 0.52 1.09 1.01 0.25 -4.92 120.40 122.69 1jdf s VAL 392 Ca 0.46 1.35 -0.22 0.00 0.00 0.00 0.00 61.98 63.56 1jdf s VAL 392 Cb -0.26 -4.16 -0.06 0.00 0.00 0.00 0.00 36.38 31.90 1jdf s VAL 392 CO 0.32 -0.22 1.33 -2.84 0.00 0.00 0.00 175.10 173.69 1jdf s PRO 393 N 2.99 3.33 0.05 2.72 0.02 -1.26 -4.90 135.00 137.96 1jdf s PRO 393 Ca 0.34 2.18 0.11 0.00 0.02 0.00 0.00 61.00 63.66 1jdf s PRO 393 Cb -0.14 -2.35 -0.19 0.00 0.02 0.00 0.00 34.50 31.84 1jdf s PRO 393 CO 0.11 -1.02 0.97 0.93 -0.33 0.00 0.00 177.00 177.66 1jdf h GLU 394 N 1.70 0.00 -7.06 5.54 4.39 -1.98 -3.46 114.58 113.72 1jdf h GLU 394 Ca -0.51 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 58.66 1jdf h GLU 394 Cb 1.29 0.00 0.19 0.00 -0.10 0.00 0.00 28.75 30.13 1jdf h GLU 394 CO 0.58 0.67 0.06 0.36 -1.16 0.00 0.00 179.01 179.52 1jdf n LYS 395 N -3.16 0.04 -1.39 2.33 2.85 -1.26 -4.18 118.16 113.39 1jdf n LYS 395 Ca -0.08 0.08 -0.35 0.00 -1.05 0.00 0.00 58.31 56.91 1jdf n LYS 395 Cb 0.97 -2.24 0.10 0.00 -0.65 0.00 0.00 35.03 33.20 1jdf n LYS 395 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1jdf n PRO 396 N -2.76 0.60 0.00 -1.58 -0.02 -1.26 -3.82 135.00 126.15 1jdf n PRO 396 Ca 0.12 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1jdf n PRO 396 Cb 0.51 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1jdf n PRO 396 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jdf n GLY 397 N 0.84 0.08 0.08 -1.23 0.00 -0.52 -3.13 105.19 101.31 1jdf n GLY 397 Ca 0.14 -0.94 0.12 0.00 0.00 0.00 0.00 46.02 45.34 1jdf n GLY 397 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jdf n LEU 398 N 0.00 0.52 -0.49 0.99 4.77 -1.26 -1.47 117.00 120.05 1jdf n LEU 398 Ca 0.00 0.58 -0.05 0.00 -0.03 0.00 0.00 56.01 56.52 1jdf n LEU 398 Cb 0.00 -0.46 -0.00 0.00 -2.33 0.00 0.00 43.42 40.63 1jdf n LEU 398 CO 0.00 -0.29 -0.06 0.61 -1.33 0.00 0.00 177.39 176.33 1jdf n GLY 399 N 0.72 0.26 3.38 -0.72 0.00 -1.18 -4.91 105.19 102.75 1jdf n GLY 399 Ca 0.04 -0.72 -0.21 0.00 0.00 0.00 0.00 46.02 45.14 1jdf n GLY 399 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jdf s VAL 400 N -2.22 1.99 -0.24 1.61 -7.23 -1.26 -5.03 120.40 108.01 1jdf s VAL 400 Ca 0.00 -2.25 0.01 0.00 -1.81 0.00 0.00 61.98 57.93 1jdf s VAL 400 Cb 0.00 -2.11 0.06 0.00 0.56 0.00 0.00 36.38 34.90 1jdf s VAL 400 CO 0.00 -0.50 -0.04 -1.61 -0.31 0.00 0.00 175.10 172.64 1jdf s GLU 401 N -3.51 1.56 0.29 4.82 2.02 -1.26 -5.05 118.70 117.57 1jdf s GLU 401 Ca 0.24 -1.03 -0.30 0.00 0.02 0.00 0.00 54.97 53.91 1jdf s GLU 401 Cb -0.03 -2.59 -0.11 0.00 0.10 0.00 0.00 34.13 31.51 1jdf s GLU 401 CO 0.09 -0.63 1.47 -1.50 0.02 0.00 0.00 175.26 174.71 1jdf s ILE 402 N 1.39 2.43 -0.61 -1.63 1.10 -1.26 -0.42 121.20 122.19 1jdf s ILE 402 Ca -0.04 0.38 -0.09 0.00 -0.51 0.00 0.00 60.65 60.39 1jdf s ILE 402 Cb -0.19 -3.24 0.16 0.00 0.15 0.00 0.00 42.46 39.34 1jdf s ILE 402 CO -0.07 0.07 0.49 -0.62 -2.11 0.00 0.00 174.94 172.69 1jdf s ASP 403 N 0.22 5.86 0.60 4.50 3.68 0.51 -4.73 116.67 127.31 1jdf s ASP 403 Ca 0.58 -2.38 0.30 0.00 2.13 0.00 0.00 52.55 53.18 1jdf s ASP 403 Cb -0.44 -2.03 1.72 0.00 -1.45 0.00 0.00 42.92 40.73 1jdf s ASP 403 CO 0.48 -0.58 2.13 0.24 0.13 0.00 0.00 175.17 177.57 1jdf h MET 404 N 7.90 0.00 -0.24 4.34 2.86 -1.93 -1.34 114.93 126.52 1jdf h MET 404 Ca -0.08 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.43 1jdf h MET 404 Cb 1.03 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.69 1jdf h MET 404 CO 0.80 0.00 -0.35 0.22 1.06 0.00 0.00 176.91 178.64 1jdf h ASP 405 N 0.00 0.72 -0.64 1.22 3.58 -1.94 -1.84 116.42 117.52 1jdf h ASP 405 Ca 0.07 -0.52 -0.06 0.00 0.42 0.00 0.00 57.03 56.94 1jdf h ASP 405 Cb 0.41 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.23 1jdf h ASP 405 CO -0.00 1.10 0.16 1.56 -2.88 0.00 0.00 179.24 179.18 1jdf h GLN 406 N 0.36 1.02 0.36 0.28 1.08 -1.61 -2.26 115.11 114.34 1jdf h GLN 406 Ca 0.02 -0.24 -0.02 0.00 -1.45 0.00 0.00 58.65 56.97 1jdf h GLN 406 Cb 0.94 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.24 1jdf h GLN 406 CO 0.08 0.91 -0.17 0.28 -0.95 0.00 0.00 178.83 178.98 1jdf h VAL 407 N 0.94 0.65 0.00 -0.54 2.07 -1.21 -0.86 116.25 117.29 1jdf h VAL 407 Ca 0.20 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.70 1jdf h VAL 407 Cb 0.35 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1jdf h VAL 407 CO 0.00 0.00 -0.07 0.24 0.02 0.00 0.00 177.57 177.76 1jdf h MET 408 N -0.48 0.00 -0.34 1.57 2.86 -1.32 0.26 114.93 117.48 1jdf h MET 408 Ca -0.05 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.45 1jdf h MET 408 Cb 0.37 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 1jdf h MET 408 CO 0.08 0.07 -0.32 -0.22 1.06 0.00 0.00 176.91 177.58 1jdf h LYS 409 N 0.00 0.82 0.00 1.72 3.64 -0.89 -0.42 116.57 121.44 1jdf h LYS 409 Ca -0.00 -0.43 -0.12 0.00 -1.27 0.00 0.00 60.65 58.83 1jdf h LYS 409 Cb 0.16 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 1jdf h LYS 409 CO 0.01 1.06 -0.57 0.00 -2.27 0.00 0.00 179.45 177.68 1jdf h ALA 410 N 0.75 0.98 -0.35 5.00 0.00 0.25 -2.56 119.26 123.31 1jdf h ALA 410 Ca 0.06 -0.52 -0.15 0.00 0.00 0.00 0.00 54.91 54.30 1jdf h ALA 410 Cb 0.90 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1jdf h ALA 410 CO 0.08 0.71 -0.37 1.25 0.00 0.00 0.00 179.25 180.92 1jdf h HIS 411 N 0.00 1.05 0.00 0.00 -0.00 -0.30 0.63 115.15 116.53 1jdf h HIS 411 Ca -0.01 -0.32 -0.08 0.00 -0.00 0.00 0.00 60.37 59.97 1jdf h HIS 411 Cb 1.06 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 28.24 1jdf h HIS 411 CO 0.00 1.13 -0.36 0.93 -0.00 0.00 0.00 177.93 179.63 1jdf h GLU 412 N 0.67 0.00 -0.35 5.26 5.08 -0.92 -0.56 114.58 123.76 1jdf h GLU 412 Ca 0.05 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.24 1jdf h GLU 412 Cb 0.96 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 1jdf h GLU 412 CO 0.09 0.36 -0.45 1.25 -1.00 0.00 0.00 179.01 179.26 1jdf h LEU 413 N 0.00 0.99 0.14 1.33 5.85 -1.35 0.73 115.31 123.00 1jdf h LEU 413 Ca -0.00 -0.48 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 1jdf h LEU 413 Cb 0.67 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1jdf h LEU 413 CO 0.05 1.29 -0.07 0.22 -0.34 0.00 0.00 178.44 179.59 1jdf h TYR 414 N 0.73 -0.17 -0.75 1.25 5.03 -0.94 -2.63 116.97 119.49 1jdf h TYR 414 Ca 0.04 -0.00 -0.05 0.00 2.58 0.00 0.00 58.73 61.30 1jdf h TYR 414 Cb 1.05 0.06 -0.03 0.00 1.55 0.00 0.00 36.73 39.35 1jdf h TYR 414 CO 0.07 0.01 0.27 1.96 -1.32 0.00 0.00 178.16 179.15 1jdf h GLN 415 N -0.33 1.13 0.43 1.82 1.08 -1.09 -2.15 115.11 115.99 1jdf h GLN 415 Ca -0.02 -0.21 -0.01 0.00 -1.45 0.00 0.00 58.65 56.96 1jdf h GLN 415 Cb 0.27 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 1jdf h GLN 415 CO 0.03 0.93 -0.34 -0.22 -0.95 0.00 0.00 178.83 178.28 1jdf h LYS 416 N 1.09 -0.74 -0.48 1.46 3.64 -0.75 -2.82 116.57 117.98 1jdf h LYS 416 Ca 0.25 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1jdf h LYS 416 Cb 0.24 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1jdf h LYS 416 CO -0.02 -0.49 0.00 0.72 -2.27 0.00 0.00 179.45 177.39 1jdf n HIS 417 N -5.46 0.53 -4.08 1.91 8.25 -1.00 -4.92 115.22 110.45 1jdf n HIS 417 Ca -0.11 -0.22 -0.30 0.00 -0.26 0.00 0.00 57.72 56.83 1jdf n HIS 417 Cb 0.36 -0.09 -0.04 0.00 1.12 0.00 0.00 29.99 31.34 1jdf n HIS 417 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jdf n GLY 418 N 0.72 -0.30 3.90 -1.41 0.00 -0.85 -4.94 105.19 102.30 1jdf n GLY 418 Ca 0.10 0.20 -0.29 0.00 0.00 0.00 0.00 46.02 46.03 1jdf n GLY 418 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jdf s LEU 419 N -7.14 2.61 0.00 0.99 1.43 -0.95 -5.06 118.68 110.56 1jdf s LEU 419 Ca 0.09 0.83 0.00 0.00 -1.03 0.00 0.00 54.13 54.01 1jdf s LEU 419 Cb -0.04 -3.39 0.00 0.00 0.03 0.00 0.00 46.19 42.79 1jdf s LEU 419 CO 0.94 -1.76 0.00 0.61 0.23 0.00 0.00 176.35 176.36 1jdf n GLY 420 N -3.22 2.66 3.75 -3.19 0.00 -1.26 -4.94 105.19 99.00 1jdf n GLY 420 Ca 0.08 0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1jdf n GLY 420 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jdf s ALA 421 N -1.00 2.51 0.49 4.61 0.00 -1.26 -4.17 121.76 122.95 1jdf s ALA 421 Ca 0.00 1.01 -0.24 0.00 0.00 0.00 0.00 51.96 52.73 1jdf s ALA 421 Cb 0.00 -3.46 -0.07 0.00 0.00 0.00 0.00 23.12 19.59 1jdf s ALA 421 CO 0.00 -1.22 1.35 -2.13 0.00 0.00 0.00 175.76 173.76 1jdf n ARG 422 N -1.67 1.90 -3.28 0.00 0.63 -1.26 -4.99 116.66 107.98 1jdf n ARG 422 Ca 0.14 0.69 -0.07 0.00 -0.92 0.00 0.00 57.85 57.68 1jdf n ARG 422 Cb 0.50 -2.53 -0.05 0.00 0.45 0.00 0.00 32.46 30.83 1jdf n ARG 422 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1jdf s ASP 423 N -0.69 -0.04 0.00 6.15 3.68 -1.26 -5.02 116.67 119.49 1jdf s ASP 423 Ca 0.66 -0.70 0.29 0.00 2.13 0.00 0.00 52.55 54.93 1jdf s ASP 423 Cb -0.45 1.25 1.36 0.00 -1.45 0.00 0.00 42.92 43.63 1jdf s ASP 423 CO 0.54 -0.29 1.95 0.47 0.13 0.00 0.00 175.17 177.98 1jdf n ASP 424 N 4.89 0.15 0.11 -0.34 10.43 -1.26 -3.61 116.55 126.93 1jdf n ASP 424 Ca 0.06 -0.18 -0.04 0.00 2.57 0.00 0.00 54.79 57.20 1jdf n ASP 424 Cb 0.50 -0.23 0.10 0.00 1.84 0.00 0.00 41.12 43.34 1jdf n ASP 424 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1jdf h ALA 425 N 3.40 0.82 0.29 2.24 0.00 -1.83 -1.67 119.26 122.51 1jdf h ALA 425 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1jdf h ALA 425 Cb 0.34 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1jdf h ALA 425 CO 0.00 0.84 -0.41 1.98 0.00 0.00 0.00 179.25 181.66 1jdf h MET 426 N 0.05 -0.73 -0.04 0.00 1.85 -1.88 -2.77 114.93 111.40 1jdf h MET 426 Ca -0.01 0.05 -0.01 0.00 -0.61 0.00 0.00 59.70 59.12 1jdf h MET 426 Cb 1.23 0.17 -0.00 0.00 0.43 0.00 0.00 31.60 33.42 1jdf h MET 426 CO 0.10 -0.49 -0.03 0.78 -0.40 0.00 0.00 176.91 176.87 1jdf h GLY 427 N -0.76 0.06 2.00 1.39 0.00 -1.76 -2.58 103.07 101.42 1jdf h GLY 427 Ca -0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 1jdf h GLY 427 CO -0.14 0.03 -0.16 -0.33 0.00 0.00 0.00 176.54 175.94 1jdf h MET 428 N 0.06 0.00 -0.15 4.80 2.86 -1.58 -2.98 114.93 117.94 1jdf h MET 428 Ca 0.01 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.70 1jdf h MET 428 Cb 0.10 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 1jdf h MET 428 CO 0.00 0.16 0.14 1.96 1.06 0.00 0.00 176.91 180.23 1jdf h GLN 429 N 0.00 0.00 0.00 1.72 1.08 -1.41 0.30 115.11 116.80 1jdf h GLN 429 Ca -0.00 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.05 1jdf h GLN 429 Cb 0.33 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.74 1jdf h GLN 429 CO 0.02 0.00 -0.70 1.88 -0.95 0.00 0.00 178.83 179.08 1jdf h TYR 430 N 0.00 0.00 0.12 2.96 0.05 -1.72 -2.99 116.97 115.39 1jdf h TYR 430 Ca 0.07 0.00 -0.32 0.00 0.05 0.00 0.00 58.73 58.53 1jdf h TYR 430 Cb 0.35 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.08 1jdf h TYR 430 CO 0.00 0.68 -1.68 -0.07 -1.05 0.00 0.00 178.16 176.03 1jdf h LEU 431 N 0.00 0.39 -6.68 3.88 3.38 -1.28 -3.45 115.31 111.55 1jdf h LEU 431 Ca -0.01 -0.87 -0.55 0.00 0.09 0.00 0.00 57.88 56.54 1jdf h LEU 431 Cb 1.52 -0.13 -0.39 0.00 0.09 0.00 0.00 40.66 41.76 1jdf h LEU 431 CO 0.09 1.73 -0.81 -0.63 0.09 0.00 0.00 178.44 178.91 1jdf s ILE 432 N -2.51 0.02 0.13 1.22 1.01 0.92 -5.12 121.20 116.87 1jdf s ILE 432 Ca -0.21 -1.20 -0.35 0.00 0.00 0.00 0.00 60.65 58.89 1jdf s ILE 432 Cb 0.06 -1.04 -0.16 0.00 0.01 0.00 0.00 42.46 41.33 1jdf s ILE 432 CO 0.76 -0.85 1.35 -2.65 0.00 0.00 0.00 174.94 173.56 1jdf n PRO 433 N 4.68 1.43 -1.00 2.79 -0.02 -1.13 -1.16 135.00 140.60 1jdf n PRO 433 Ca 0.03 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1jdf n PRO 433 Cb 0.40 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1jdf n PRO 433 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jdf n GLY 434 N 2.55 0.78 3.62 -1.23 0.00 -1.26 -4.99 105.19 104.66 1jdf n GLY 434 Ca 0.17 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.74 1jdf n GLY 434 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1jdf n TRP 435 N -2.40 1.58 -4.08 1.61 -0.00 -0.31 -5.00 117.44 108.83 1jdf n TRP 435 Ca 0.00 0.64 -0.13 0.00 -0.00 0.00 0.00 57.50 58.01 1jdf n TRP 435 Cb 0.00 -2.31 -0.11 0.00 -0.00 0.00 0.00 31.31 28.89 1jdf n TRP 435 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 1jdf s THR 436 N -0.84 0.59 0.35 5.87 -4.23 -1.26 -4.89 115.64 111.23 1jdf s THR 436 Ca 0.61 -1.17 -0.28 0.00 -1.18 0.00 0.00 61.69 59.67 1jdf s THR 436 Cb -0.69 -0.73 -0.11 0.00 1.34 0.00 0.00 72.50 72.31 1jdf s THR 436 CO 0.58 -0.41 1.45 0.12 -0.54 0.00 0.00 174.62 175.82 1jdf s PHE 437 N -1.57 2.74 -0.19 3.99 5.99 -1.26 -5.02 117.98 122.66 1jdf s PHE 437 Ca -0.08 1.18 -0.05 0.00 0.00 0.00 0.00 56.93 57.99 1jdf s PHE 437 Cb -0.09 -3.93 0.07 0.00 0.00 0.00 0.00 43.02 39.07 1jdf s PHE 437 CO 0.00 -2.76 0.13 0.34 -0.00 0.00 0.00 175.22 172.94 1jdf s ASP 438 N -0.14 2.07 0.00 6.13 -1.08 -1.26 -5.02 116.67 117.36 1jdf s ASP 438 Ca 0.53 -0.51 0.13 0.00 -0.52 0.00 0.00 52.55 52.17 1jdf s ASP 438 Cb -0.45 -0.04 0.75 0.00 -1.46 0.00 0.00 42.92 41.72 1jdf s ASP 438 CO 0.58 -0.35 1.23 -0.46 0.52 0.00 0.00 175.17 176.70 1jdf n ASN 439 N 5.29 0.00 -0.85 -0.34 2.04 -1.26 -2.69 115.26 117.45 1jdf n ASN 439 Ca -0.06 -0.86 0.05 0.00 -0.44 0.00 0.00 54.58 53.26 1jdf n ASN 439 Cb 0.49 0.00 0.13 0.00 -2.53 0.00 0.00 39.78 37.87 1jdf n ASN 439 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1jdf n LYS 440 N -0.81 0.96 -3.53 -3.83 4.76 -1.26 -3.98 118.16 110.47 1jdf n LYS 440 Ca 0.09 -2.70 -0.03 0.00 -2.87 0.00 0.00 58.31 52.81 1jdf n LYS 440 Cb 0.04 -1.02 -0.05 0.00 -1.84 0.00 0.00 35.03 32.16 1jdf n LYS 440 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1jdf s ARG 441 N -1.98 0.49 0.12 1.97 3.52 -1.10 -4.82 118.95 117.16 1jdf s ARG 441 Ca 0.34 1.17 -0.33 0.00 -0.13 0.00 0.00 55.73 56.78 1jdf s ARG 441 Cb 0.35 0.54 -0.18 0.00 -1.56 0.00 0.00 34.95 34.10 1jdf s ARG 441 CO -0.09 -0.34 0.83 -2.30 -0.81 0.00 0.00 175.30 172.60 1jdf n PRO 442 N 5.42 0.20 -0.32 5.12 -0.02 -1.26 -4.70 135.00 139.44 1jdf n PRO 442 Ca -0.08 0.07 0.22 0.00 -2.02 0.00 0.00 63.50 61.68 1jdf n PRO 442 Cb 0.50 -1.34 0.49 0.00 -0.02 0.00 0.00 33.50 33.12 1jdf n PRO 442 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jdf h MET 444 N 0.43 0.00 -5.55 0.00 2.86 -1.44 -3.43 114.93 107.79 1jdf h MET 444 Ca 0.59 0.00 -0.64 0.00 -2.06 0.00 0.00 59.70 57.59 1jdf h MET 444 Cb 1.43 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.95 1jdf h MET 444 CO -0.30 0.00 0.21 0.08 1.06 0.00 0.00 176.91 177.96 1jdf s VAL 445 N -3.15 4.78 0.00 -2.22 1.01 -0.09 -5.05 120.40 115.68 1jdf s VAL 445 Ca 0.08 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.42 1jdf s VAL 445 Cb 0.11 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.28 1jdf s VAL 445 CO 0.65 -0.56 0.05 0.54 0.00 0.00 0.00 175.10 175.77