#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dfk n SER -1 N 0.00 0.00 0.00 1.61 2.88 -1.26 -3.92 113.62 112.93 2dfk n SER -1 Ca 0.00 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.59 2dfk n SER -1 Cb 0.00 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 63.73 2dfk n SER -1 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2dfk n HIS 0 N 0.00 0.00 -3.97 0.66 -0.00 -1.26 -4.70 115.22 105.96 2dfk n HIS 0 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.41 2dfk n HIS 0 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 29.99 29.84 2dfk n HIS 0 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2dfk s MET 1 N -2.00 1.72 0.13 -0.41 1.00 -1.25 -5.11 119.30 113.38 2dfk s MET 1 Ca 0.14 -1.12 -0.30 0.00 0.00 0.00 0.00 55.69 54.41 2dfk s MET 1 Cb 0.06 -2.67 -0.07 0.00 0.00 0.00 0.00 34.83 32.16 2dfk s MET 1 CO 0.11 -0.62 1.09 -0.65 0.00 0.00 0.00 175.02 174.95 2dfk s GLN 2 N 1.31 4.57 0.27 2.03 -0.21 -1.26 -3.25 119.66 123.12 2dfk s GLN 2 Ca -0.05 1.67 -0.30 0.00 0.02 0.00 0.00 55.36 56.70 2dfk s GLN 2 Cb -0.19 -3.32 -0.10 0.00 1.00 0.00 0.00 33.01 30.40 2dfk s GLN 2 CO -0.07 0.02 1.41 0.99 -2.12 0.00 0.00 175.29 175.53 2dfk s THR 3 N 0.14 2.65 -0.34 -0.19 2.01 -1.26 -4.74 115.64 113.92 2dfk s THR 3 Ca 0.51 0.57 -0.25 0.00 0.31 0.00 0.00 61.69 62.83 2dfk s THR 3 Cb -0.28 -3.36 0.01 0.00 0.01 0.00 0.00 72.50 68.88 2dfk s THR 3 CO 0.33 0.10 0.86 -0.63 -0.69 0.00 0.00 174.62 174.58 2dfk s ILE 4 N -0.27 4.69 -0.25 1.82 1.01 -0.54 -4.88 121.20 122.78 2dfk s ILE 4 Ca 0.57 1.17 -0.26 0.00 0.00 0.00 0.00 60.65 62.13 2dfk s ILE 4 Cb -0.42 -4.24 -0.00 0.00 0.01 0.00 0.00 42.46 37.81 2dfk s ILE 4 CO 0.46 -0.40 0.88 -0.75 0.00 0.00 0.00 174.94 175.13 2dfk s LYS 5 N 3.21 4.17 -0.20 2.79 2.20 -1.26 -0.55 119.74 130.11 2dfk s LYS 5 Ca 0.35 1.00 -0.02 0.00 -0.36 0.00 0.00 55.97 56.95 2dfk s LYS 5 Cb -0.13 -3.66 0.00 0.00 -1.51 0.00 0.00 37.83 32.54 2dfk s LYS 5 CO 0.16 -0.57 -0.12 0.00 -0.36 0.00 0.00 175.35 174.46 2dfk s VAL 7 N 1.36 3.95 -0.31 0.00 1.01 -0.86 -1.54 120.40 124.02 2dfk s VAL 7 Ca 0.05 -0.31 -0.20 0.00 0.00 0.00 0.00 61.98 61.53 2dfk s VAL 7 Cb -0.14 -2.80 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 2dfk s VAL 7 CO -0.07 0.41 0.60 -0.69 0.00 0.00 0.00 175.10 175.34 2dfk s VAL 8 N 1.16 4.96 0.32 2.92 1.01 -0.83 -0.89 120.40 129.05 2dfk s VAL 8 Ca 0.03 0.76 0.08 0.00 0.00 0.00 0.00 61.98 62.86 2dfk s VAL 8 Cb -0.14 -3.97 -0.06 0.00 0.00 0.00 0.00 36.38 32.20 2dfk s VAL 8 CO 0.01 -0.13 -0.09 0.68 0.00 0.00 0.00 175.10 175.58 2dfk s VAL 9 N 2.54 2.01 0.00 2.92 -7.23 -0.15 -3.60 120.40 116.89 2dfk s VAL 9 Ca 0.24 -2.18 0.00 0.00 -1.81 0.00 0.00 61.98 58.22 2dfk s VAL 9 Cb -0.15 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 34.23 2dfk s VAL 9 CO 0.12 -0.25 0.00 0.61 -0.31 0.00 0.00 175.10 175.27 2dfk n GLY 10 N -0.70 1.36 3.76 2.32 0.00 -1.26 -1.46 105.19 109.21 2dfk n GLY 10 Ca -0.05 -1.90 -0.33 0.00 0.00 0.00 0.00 46.02 43.74 2dfk n GLY 10 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dfk s ASP 11 N 0.00 4.83 0.62 1.61 -0.00 -1.26 -4.95 116.67 117.52 2dfk s ASP 11 Ca 0.00 1.99 -0.16 0.00 -0.00 0.00 0.00 52.55 54.38 2dfk s ASP 11 Cb 0.00 -2.55 -0.02 0.00 -0.00 0.00 0.00 42.92 40.35 2dfk s ASP 11 CO 0.00 -1.82 1.09 -0.83 -0.00 0.00 0.00 175.17 173.61 2dfk s GLY 12 N -2.75 2.19 -0.24 0.21 0.00 -1.26 -3.00 107.32 102.47 2dfk s GLY 12 Ca 0.66 0.50 0.00 0.00 0.00 0.00 0.00 44.72 45.88 2dfk s GLY 12 CO 0.46 0.84 0.00 0.00 0.00 0.00 0.00 173.10 174.39 2dfk n ALA 13 N -2.12 -0.03 0.75 3.20 0.00 -1.26 -4.77 120.51 116.27 2dfk n ALA 13 Ca 0.10 0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.68 2dfk n ALA 13 Cb 0.52 -0.71 0.28 0.00 0.00 0.00 0.00 19.45 19.55 2dfk n ALA 13 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2dfk n VAL 14 N -2.67 0.39 -2.32 0.00 0.24 -1.16 -4.94 118.33 107.87 2dfk n VAL 14 Ca -0.02 -0.55 -0.01 0.00 -2.04 0.00 0.00 64.34 61.72 2dfk n VAL 14 Cb 0.20 0.63 0.00 0.00 -1.47 0.00 0.00 33.84 33.20 2dfk n VAL 14 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2dfk n GLY 15 N 1.31 0.67 0.10 7.63 0.00 -1.26 -4.67 105.19 108.97 2dfk n GLY 15 Ca 0.17 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 45.37 2dfk n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dfk h LYS 16 N -0.05 0.01 -0.25 1.61 1.57 -1.93 -2.13 116.57 115.40 2dfk h LYS 16 Ca -0.02 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 2dfk h LYS 16 Cb 1.01 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 2dfk h LYS 16 CO 0.02 0.01 -0.03 1.15 -0.57 0.00 0.00 179.45 180.03 2dfk h THR 17 N 0.01 1.27 -0.77 -0.16 2.02 -1.95 -2.53 112.91 110.82 2dfk h THR 17 Ca 0.09 -0.99 0.06 0.00 0.77 0.00 0.00 66.41 66.34 2dfk h THR 17 Cb 0.13 1.41 -0.06 0.00 -1.74 0.00 0.00 68.15 67.89 2dfk h THR 17 CO -0.18 0.31 0.45 0.00 0.37 0.00 0.00 175.52 176.47 2dfk h LEU 19 N 0.83 0.84 -0.58 0.00 6.46 -1.26 -0.33 115.31 121.27 2dfk h LEU 19 Ca 0.34 -0.11 -0.08 0.00 -0.12 0.00 0.00 57.88 57.92 2dfk h LEU 19 Cb 0.19 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 39.88 2dfk h LEU 19 CO -0.18 0.71 0.06 -0.07 -0.62 0.00 0.00 178.44 178.34 2dfk h LEU 20 N 0.91 0.95 -0.32 2.25 3.38 -1.05 -1.63 115.31 119.80 2dfk h LEU 20 Ca 0.23 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 2dfk h LEU 20 Cb 0.06 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2dfk h LEU 20 CO -0.04 0.99 -0.02 0.40 0.09 0.00 0.00 178.44 179.86 2dfk h ILE 21 N 0.88 1.26 -0.75 1.22 2.04 -1.21 -0.30 117.51 120.65 2dfk h ILE 21 Ca 0.17 -1.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.01 2dfk h ILE 21 Cb 0.46 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 2dfk h ILE 21 CO 0.02 0.33 0.40 -1.28 0.00 0.00 0.00 178.15 177.61 2dfk h SER 22 N 0.37 0.94 -0.15 1.72 0.87 -1.01 -1.27 113.55 115.02 2dfk h SER 22 Ca 0.09 -0.08 -0.17 0.00 -1.23 0.00 0.00 61.79 60.40 2dfk h SER 22 Cb 0.48 -0.24 0.01 0.00 -0.44 0.00 0.00 62.40 62.20 2dfk h SER 22 CO 0.02 0.77 -0.55 0.22 -0.53 0.00 0.00 176.83 176.76 2dfk h TYR 23 N 1.06 0.84 0.02 2.24 3.20 -1.02 -2.21 116.97 121.10 2dfk h TYR 23 Ca 0.26 -0.35 -0.24 0.00 3.14 0.00 0.00 58.73 61.54 2dfk h TYR 23 Cb 0.05 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.15 2dfk h TYR 23 CO 0.01 1.14 -1.18 1.79 -1.64 0.00 0.00 178.16 178.28 2dfk h THR 24 N 0.30 1.51 -0.01 1.81 1.35 -0.84 -3.22 112.91 113.81 2dfk h THR 24 Ca -0.03 -3.22 0.00 0.00 -0.55 0.00 0.00 66.41 62.61 2dfk h THR 24 Cb 1.18 2.78 0.00 0.00 -1.73 0.00 0.00 68.15 70.39 2dfk h THR 24 CO 0.12 0.88 -0.21 0.35 -0.25 0.00 0.00 175.52 176.40 2dfk n THR 25 N -3.33 0.00 -1.66 6.82 -2.24 -0.50 -4.94 114.28 108.43 2dfk n THR 25 Ca -0.05 -0.17 -0.17 0.00 -2.27 0.00 0.00 64.05 61.38 2dfk n THR 25 Cb 0.98 0.50 -0.06 0.00 -2.10 0.00 0.00 70.33 69.65 2dfk n THR 25 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2dfk n ASN 26 N -0.38 -5.10 -3.43 3.42 5.15 -0.86 -4.96 115.26 109.11 2dfk n ASN 26 Ca 0.13 0.35 -0.12 0.00 -0.60 0.00 0.00 54.58 54.34 2dfk n ASN 26 Cb 0.36 -4.15 -0.02 0.00 -0.53 0.00 0.00 39.78 35.44 2dfk n ASN 26 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 2dfk s LYS 27 N -3.74 1.27 0.16 1.20 -2.85 -1.07 -5.02 119.74 109.68 2dfk s LYS 27 Ca 0.00 -0.43 -0.30 0.00 -1.00 0.00 0.00 55.97 54.24 2dfk s LYS 27 Cb 0.00 0.58 -0.07 0.00 -2.06 0.00 0.00 37.83 36.28 2dfk s LYS 27 CO 0.00 -0.55 1.14 0.12 0.10 0.00 0.00 175.35 176.17 2dfk s PHE 28 N -3.59 3.52 -1.22 1.78 5.36 -1.26 -4.12 117.98 118.45 2dfk s PHE 28 Ca 0.00 1.50 -0.17 0.00 -0.96 0.00 0.00 56.93 57.31 2dfk s PHE 28 Cb -0.01 -3.34 0.11 0.00 -0.34 0.00 0.00 43.02 39.43 2dfk s PHE 28 CO -0.12 -0.88 1.57 -1.25 -1.46 0.00 0.00 175.22 173.08 2dfk s PRO 29 N -0.11 3.96 0.30 10.12 0.04 -1.26 -4.84 135.00 143.20 2dfk s PRO 29 Ca 0.52 -2.09 0.05 0.00 0.04 0.00 0.00 61.00 59.52 2dfk s PRO 29 Cb -0.30 -5.32 0.48 0.00 0.04 0.00 0.00 34.50 29.40 2dfk s PRO 29 CO 0.35 -2.06 1.73 0.66 0.04 0.00 0.00 177.00 177.72 2dfk h SER 30 N 7.74 0.34 -0.32 6.66 4.64 -2.01 -3.14 113.55 127.46 2dfk h SER 30 Ca 0.36 -0.12 -0.07 0.00 -0.47 0.00 0.00 61.79 61.49 2dfk h SER 30 Cb 0.90 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 2dfk h SER 30 CO 1.36 0.65 -0.06 -0.33 -0.87 0.00 0.00 176.83 177.58 2dfk h GLU 31 N 0.29 0.60 -1.43 4.77 5.08 -2.04 -3.45 114.58 118.41 2dfk h GLU 31 Ca 0.04 -0.22 0.11 0.00 -1.00 0.00 0.00 59.36 58.29 2dfk h GLU 31 Cb 0.70 -0.04 -0.21 0.00 0.50 0.00 0.00 28.75 29.70 2dfk h GLU 31 CO 0.05 0.77 -0.08 -0.47 -1.00 0.00 0.00 179.01 178.28 2dfk s TYR 32 N -4.83 -1.24 -0.42 4.33 5.04 -1.19 -5.13 117.35 113.92 2dfk s TYR 32 Ca -0.13 1.83 -0.25 0.00 -2.44 0.00 0.00 57.07 56.08 2dfk s TYR 32 Cb 0.09 0.63 0.02 0.00 0.35 0.00 0.00 41.96 43.04 2dfk s TYR 32 CO 0.78 -0.64 0.88 0.08 -1.34 0.00 0.00 175.55 175.31 2dfk s VAL 33 N 2.81 4.57 0.53 3.14 1.01 -1.24 -4.80 120.40 126.42 2dfk s VAL 33 Ca 0.02 0.83 -0.22 0.00 0.00 0.00 0.00 61.98 62.62 2dfk s VAL 33 Cb -0.12 -4.35 -0.05 0.00 0.00 0.00 0.00 36.38 31.86 2dfk s VAL 33 CO -0.19 -0.67 1.29 -2.84 0.00 0.00 0.00 175.10 172.69 2dfk s PRO 34 N 3.49 3.30 0.24 2.72 0.02 -1.26 -4.90 135.00 138.60 2dfk s PRO 34 Ca 0.35 2.07 0.12 0.00 0.02 0.00 0.00 61.00 63.55 2dfk s PRO 34 Cb -0.11 -2.27 0.13 0.00 0.02 0.00 0.00 34.50 32.27 2dfk s PRO 34 CO 0.22 -1.01 1.47 1.15 -0.33 0.00 0.00 177.00 178.50 2dfk h THR 35 N 1.51 1.30 -3.50 0.99 2.02 -1.99 -3.45 112.91 109.78 2dfk h THR 35 Ca -0.50 -2.53 -0.67 0.00 0.77 0.00 0.00 66.41 63.49 2dfk h THR 35 Cb 1.29 2.44 -0.26 0.00 -1.74 0.00 0.00 68.15 69.88 2dfk h THR 35 CO 0.58 0.67 -0.76 -0.69 0.37 0.00 0.00 175.52 175.69 2dfk s VAL 36 N -3.11 3.07 -0.27 3.16 1.01 -1.26 -5.01 120.40 117.98 2dfk s VAL 36 Ca 0.01 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.34 2dfk s VAL 36 Cb 0.10 -2.26 0.06 0.00 0.00 0.00 0.00 36.38 34.27 2dfk s VAL 36 CO 0.77 0.54 -0.08 0.12 0.00 0.00 0.00 175.10 176.45 2dfk s PHE 37 N 0.07 3.28 0.28 5.22 5.36 -1.26 -5.10 117.98 125.83 2dfk s PHE 37 Ca -0.05 -2.24 -0.29 0.00 -0.96 0.00 0.00 56.93 53.39 2dfk s PHE 37 Cb -0.15 -2.00 -0.09 0.00 -0.34 0.00 0.00 43.02 40.44 2dfk s PHE 37 CO 0.04 -0.86 1.03 0.34 -1.46 0.00 0.00 175.22 174.31 2dfk s ASP 38 N 1.14 7.36 0.09 6.13 2.15 -1.26 -4.60 116.67 127.68 2dfk s ASP 38 Ca -0.08 2.10 -0.32 0.00 0.43 0.00 0.00 52.55 54.69 2dfk s ASP 38 Cb -0.20 -2.61 -0.17 0.00 -0.30 0.00 0.00 42.92 39.64 2dfk s ASP 38 CO -0.04 -0.06 0.75 0.59 -0.17 0.00 0.00 175.17 176.24 2dfk n ASN 39 N 1.14 -0.54 -3.73 -0.34 3.02 -1.26 -4.94 115.26 108.60 2dfk n ASN 39 Ca -0.01 1.06 -0.12 0.00 -0.03 0.00 0.00 54.58 55.48 2dfk n ASN 39 Cb 0.46 -0.86 -0.12 0.00 -0.61 0.00 0.00 39.78 38.65 2dfk n ASN 39 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2dfk s TYR 40 N -0.43 -0.36 -0.14 3.10 5.04 -0.79 -4.97 117.35 118.80 2dfk s TYR 40 Ca 0.72 0.84 -0.12 0.00 -2.44 0.00 0.00 57.07 56.08 2dfk s TYR 40 Cb -1.03 0.09 -0.05 0.00 0.35 0.00 0.00 41.96 41.32 2dfk s TYR 40 CO 0.52 -0.23 0.26 0.00 -1.34 0.00 0.00 175.55 174.76 2dfk s ALA 41 N 1.08 3.66 0.00 3.97 0.00 -1.26 -0.86 121.76 128.36 2dfk s ALA 41 Ca -0.08 -0.49 0.04 0.00 0.00 0.00 0.00 51.96 51.44 2dfk s ALA 41 Cb -0.09 -2.29 -0.01 0.00 0.00 0.00 0.00 23.12 20.73 2dfk s ALA 41 CO -0.08 0.23 -0.13 0.54 0.00 0.00 0.00 175.76 176.32 2dfk s VAL 42 N 0.03 1.03 -0.19 0.00 0.11 0.28 -4.95 120.40 116.71 2dfk s VAL 42 Ca 0.16 -0.67 -0.20 0.00 -2.93 0.00 0.00 61.98 58.35 2dfk s VAL 42 Cb -0.13 -0.88 -0.03 0.00 -1.53 0.00 0.00 36.38 33.81 2dfk s VAL 42 CO 0.04 0.21 0.57 -0.89 -3.33 0.00 0.00 175.10 171.71 2dfk s THR 43 N -0.45 5.07 -0.09 5.04 2.01 -1.26 -0.15 115.64 125.80 2dfk s THR 43 Ca 0.04 1.08 0.04 0.00 0.31 0.00 0.00 61.69 63.16 2dfk s THR 43 Cb -0.06 -3.90 -0.00 0.00 0.01 0.00 0.00 72.50 68.55 2dfk s THR 43 CO -0.00 0.15 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.16 2dfk s VAL 44 N 1.72 2.16 -0.38 3.82 1.01 0.25 -4.95 120.40 124.04 2dfk s VAL 44 Ca 0.27 -0.99 -0.23 0.00 0.00 0.00 0.00 61.98 61.03 2dfk s VAL 44 Cb -0.16 -1.82 0.01 0.00 0.00 0.00 0.00 36.38 34.41 2dfk s VAL 44 CO 0.10 0.56 0.76 -0.04 0.00 0.00 0.00 175.10 176.48 2dfk s MET 45 N 0.24 3.67 -0.12 2.72 -1.94 -1.26 -1.01 119.30 121.60 2dfk s MET 45 Ca -0.15 0.18 0.03 0.00 -1.71 0.00 0.00 55.69 54.04 2dfk s MET 45 Cb -0.17 -3.84 0.01 0.00 2.01 0.00 0.00 34.83 32.84 2dfk s MET 45 CO 0.08 -0.89 -0.20 0.42 -0.01 0.00 0.00 175.02 174.42 2dfk s ILE 46 N 3.07 1.87 -1.23 2.53 -1.09 -0.17 -4.74 121.20 121.44 2dfk s ILE 46 Ca 0.30 -0.88 -0.08 0.00 -2.23 0.00 0.00 60.65 57.76 2dfk s ILE 46 Cb -0.13 -1.66 0.01 0.00 -1.58 0.00 0.00 42.46 39.10 2dfk s ILE 46 CO 0.18 0.51 1.08 0.61 -1.23 0.00 0.00 174.94 176.09 2dfk n GLY 47 N 3.98 -0.41 2.56 6.18 0.00 -1.26 -1.95 105.19 114.29 2dfk n GLY 47 Ca -0.20 0.17 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 2dfk n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dfk n GLY 48 N -1.87 0.53 3.13 -0.02 0.00 -1.26 -4.99 105.19 100.71 2dfk n GLY 48 Ca 0.00 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 2dfk n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dfk s GLU 49 N -1.78 0.95 0.19 1.61 2.02 -0.82 -5.09 118.70 115.78 2dfk s GLU 49 Ca 0.00 -0.70 -0.30 0.00 0.02 0.00 0.00 54.97 53.99 2dfk s GLU 49 Cb 0.00 -0.95 -0.08 0.00 0.10 0.00 0.00 34.13 33.21 2dfk s GLU 49 CO 0.00 0.24 0.94 -1.25 0.02 0.00 0.00 175.26 175.21 2dfk s PRO 50 N -0.99 4.79 -0.02 0.39 0.04 -1.26 -1.00 135.00 136.95 2dfk s PRO 50 Ca 0.02 1.47 0.03 0.00 0.04 0.00 0.00 61.00 62.56 2dfk s PRO 50 Cb -0.07 -3.31 -0.00 0.00 0.04 0.00 0.00 34.50 31.15 2dfk s PRO 50 CO 0.01 0.41 -0.10 0.71 0.04 0.00 0.00 177.00 178.07 2dfk s TYR 51 N -0.76 1.02 -0.26 0.56 1.51 -0.18 -4.96 117.35 114.28 2dfk s TYR 51 Ca 0.43 -0.23 -0.14 0.00 -1.01 0.00 0.00 57.07 56.12 2dfk s TYR 51 Cb -0.25 -0.69 -0.04 0.00 -0.11 0.00 0.00 41.96 40.87 2dfk s TYR 51 CO 0.31 -0.07 0.32 0.99 -1.11 0.00 0.00 175.55 175.99 2dfk s THR 52 N -0.03 5.23 -0.20 -0.71 2.01 -1.26 -0.58 115.64 120.10 2dfk s THR 52 Ca 0.00 0.47 -0.04 0.00 0.31 0.00 0.00 61.69 62.42 2dfk s THR 52 Cb -0.07 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 68.78 2dfk s THR 52 CO 0.00 0.21 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.91 2dfk s LEU 53 N 1.77 3.13 -0.31 4.42 2.96 0.79 -1.47 118.68 129.96 2dfk s LEU 53 Ca 0.13 -0.26 -0.13 0.00 -0.22 0.00 0.00 54.13 53.65 2dfk s LEU 53 Cb -0.15 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.72 2dfk s LEU 53 CO 0.09 0.04 0.26 -0.83 -1.32 0.00 0.00 176.35 174.60 2dfk s GLY 54 N 1.11 1.93 -0.19 7.98 0.00 0.29 -0.56 107.32 117.89 2dfk s GLY 54 Ca 0.02 -1.19 -0.07 0.00 0.00 0.00 0.00 44.72 43.47 2dfk s GLY 54 CO 0.01 0.80 0.06 1.08 0.00 0.00 0.00 173.10 175.05 2dfk s LEU 55 N 1.83 3.79 -0.10 0.66 1.43 -0.04 0.06 118.68 126.31 2dfk s LEU 55 Ca 0.08 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.26 2dfk s LEU 55 Cb -0.17 -1.96 0.01 0.00 0.03 0.00 0.00 46.19 44.11 2dfk s LEU 55 CO 0.11 0.16 -0.14 -0.36 0.23 0.00 0.00 176.35 176.34 2dfk s PHE 56 N 0.48 1.85 0.37 0.29 0.40 -0.59 -1.89 117.98 118.89 2dfk s PHE 56 Ca 0.03 -0.83 -0.02 0.00 -0.60 0.00 0.00 56.93 55.51 2dfk s PHE 56 Cb -0.13 -1.34 -0.04 0.00 0.51 0.00 0.00 43.02 42.02 2dfk s PHE 56 CO 0.01 -0.43 0.61 0.34 0.70 0.00 0.00 175.22 176.45 2dfk s ASP 57 N 0.94 6.31 -0.05 1.36 2.15 -1.26 -1.97 116.67 124.15 2dfk s ASP 57 Ca -0.08 0.61 0.07 0.00 0.43 0.00 0.00 52.55 53.58 2dfk s ASP 57 Cb -0.15 -2.10 0.11 0.00 -0.30 0.00 0.00 42.92 40.47 2dfk s ASP 57 CO -0.00 -0.36 0.98 0.35 -0.17 0.00 0.00 175.17 175.97 2dfk n THR 58 N -1.79 0.95 -1.73 1.71 -2.24 -1.24 -4.92 114.28 105.03 2dfk n THR 58 Ca -0.03 -1.09 -0.42 0.00 -2.27 0.00 0.00 64.05 60.24 2dfk n THR 58 Cb 0.56 0.31 -0.01 0.00 -2.10 0.00 0.00 70.33 69.08 2dfk n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dfk n ALA 59 N -0.66 1.98 0.00 6.98 0.00 -1.26 -1.91 120.51 125.64 2dfk n ALA 59 Ca 0.06 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.87 2dfk n ALA 59 Cb 0.53 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.61 2dfk n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dfk n GLY 60 N 1.40 2.03 0.36 0.00 0.00 -1.26 -4.88 105.19 102.83 2dfk n GLY 60 Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.20 2dfk n GLY 60 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dfk n GLN 61 N -2.00 1.02 0.08 1.61 6.02 -0.80 -4.63 117.38 118.67 2dfk n GLN 61 Ca 0.00 -0.71 0.00 0.00 -0.01 0.00 0.00 57.00 56.28 2dfk n GLN 61 Cb 0.00 -1.49 0.31 0.00 1.02 0.00 0.00 30.24 30.09 2dfk n GLN 61 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2dfk h GLU 62 N 1.74 0.33 -0.13 -1.09 3.07 -1.90 -2.21 114.58 114.39 2dfk h GLU 62 Ca 0.00 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 58.77 2dfk h GLU 62 Cb 0.61 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 2dfk h GLU 62 CO 0.00 0.50 0.00 -0.25 -1.40 0.00 0.00 179.01 177.86 2dfk n ASP 63 N -4.21 1.95 -4.10 1.42 8.00 -1.26 -4.72 116.55 113.62 2dfk n ASP 63 Ca -0.00 -1.70 -0.37 0.00 0.71 0.00 0.00 54.79 53.43 2dfk n ASP 63 Cb 0.32 -0.08 -0.10 0.00 -0.02 0.00 0.00 41.12 41.25 2dfk n ASP 63 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2dfk s TYR 64 N -1.84 3.43 0.51 1.24 1.51 -0.83 -4.96 117.35 116.40 2dfk s TYR 64 Ca 0.34 -2.66 0.32 0.00 -1.01 0.00 0.00 57.07 54.06 2dfk s TYR 64 Cb 0.19 -3.22 1.77 0.00 -0.11 0.00 0.00 41.96 40.60 2dfk s TYR 64 CO 0.30 -0.86 2.19 0.38 -1.11 0.00 0.00 175.55 176.45 2dfk h ASP 65 N 7.15 0.00 0.05 2.29 2.03 -1.84 -1.03 116.42 125.07 2dfk h ASP 65 Ca -0.03 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.27 2dfk h ASP 65 Cb 0.96 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.46 2dfk h ASP 65 CO 0.71 0.05 -1.36 0.54 -1.03 0.00 0.00 179.24 178.15 2dfk n ARG 66 N -3.56 0.27 -0.05 4.15 5.12 -1.26 -4.28 116.66 117.04 2dfk n ARG 66 Ca -0.02 -0.07 -0.18 0.00 -1.93 0.00 0.00 57.85 55.65 2dfk n ARG 66 Cb 0.15 -1.52 -0.13 0.00 -1.16 0.00 0.00 32.46 29.80 2dfk n ARG 66 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2dfk n LEU 67 N -1.82 2.36 0.05 0.55 4.77 -0.56 -4.45 117.00 117.89 2dfk n LEU 67 Ca 0.01 0.10 0.03 0.00 -0.03 0.00 0.00 56.01 56.11 2dfk n LEU 67 Cb 0.43 -0.78 0.39 0.00 -2.33 0.00 0.00 43.42 41.13 2dfk n LEU 67 CO 0.44 0.81 1.01 0.08 -1.33 0.00 0.00 177.39 178.40 2dfk h ARG 68 N 0.03 0.41 0.00 3.23 0.11 -1.42 -1.61 114.38 115.14 2dfk h ARG 68 Ca -0.47 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 59.55 2dfk h ARG 68 Cb 2.00 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 33.01 2dfk h ARG 68 CO 0.02 0.39 0.00 -2.30 0.10 0.00 0.00 179.97 178.19 2dfk n PRO 69 N -4.37 0.07 0.28 0.08 -0.02 -1.26 -2.67 135.00 127.11 2dfk n PRO 69 Ca 0.01 0.26 0.17 0.00 -2.02 0.00 0.00 63.50 61.92 2dfk n PRO 69 Cb 0.17 -1.50 0.75 0.00 -0.02 0.00 0.00 33.50 32.91 2dfk n PRO 69 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2dfk h LEU 70 N 0.00 0.00 -0.12 2.45 3.38 -1.55 -1.31 115.31 118.16 2dfk h LEU 70 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dfk h LEU 70 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2dfk h LEU 70 CO 0.00 0.04 0.00 -1.20 0.09 0.00 0.00 178.44 177.37 2dfk n SER 71 N -3.19 0.69 0.13 -0.43 7.64 -1.09 -4.37 113.62 113.00 2dfk n SER 71 Ca -0.00 0.58 -0.24 0.00 1.01 0.00 0.00 58.87 60.21 2dfk n SER 71 Cb 0.27 -0.76 -0.16 0.00 -1.01 0.00 0.00 64.21 62.56 2dfk n SER 71 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 2dfk h TYR 72 N 0.00 0.94 -2.81 1.43 0.99 -1.44 -3.45 116.97 112.63 2dfk h TYR 72 Ca 0.00 -0.68 -0.59 0.00 2.00 0.00 0.00 58.73 59.46 2dfk h TYR 72 Cb 0.64 -0.04 0.11 0.00 1.00 0.00 0.00 36.73 38.44 2dfk h TYR 72 CO 0.00 1.59 0.25 -2.30 -0.00 0.00 0.00 178.16 177.69 2dfk n PRO 73 N -3.69 1.59 -0.98 4.88 -0.02 -1.26 -2.41 135.00 133.10 2dfk n PRO 73 Ca -0.18 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 2dfk n PRO 73 Cb 1.10 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 2dfk n PRO 73 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2dfk n GLN 74 N 0.59 -0.54 -2.37 -0.52 1.13 0.19 -5.00 117.38 110.85 2dfk n GLN 74 Ca 0.08 0.14 -0.40 0.00 -1.94 0.00 0.00 57.00 54.87 2dfk n GLN 74 Cb 0.34 -3.55 -0.04 0.00 0.11 0.00 0.00 30.24 27.10 2dfk n GLN 74 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 2dfk s THR 75 N -1.85 3.26 -0.05 5.09 2.01 -1.01 -4.64 115.64 118.45 2dfk s THR 75 Ca 0.00 1.28 0.15 0.00 0.31 0.00 0.00 61.69 63.42 2dfk s THR 75 Cb 0.00 -3.81 -0.22 0.00 0.01 0.00 0.00 72.50 68.48 2dfk s THR 75 CO 0.00 0.30 0.27 0.47 -0.69 0.00 0.00 174.62 174.97 2dfk n ASP 76 N 1.08 1.52 -3.64 3.53 8.00 -0.32 -1.68 116.55 125.05 2dfk n ASP 76 Ca -0.01 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.35 2dfk n ASP 76 Cb 0.44 1.50 -0.08 0.00 -0.02 0.00 0.00 41.12 42.96 2dfk n ASP 76 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2dfk s VAL 77 N -2.89 0.00 -0.03 2.53 0.11 -1.06 -4.26 120.40 114.81 2dfk s VAL 77 Ca -0.06 -0.03 -0.00 0.00 -2.93 0.00 0.00 61.98 58.96 2dfk s VAL 77 Cb 0.08 -0.88 -0.04 0.00 -1.53 0.00 0.00 36.38 34.01 2dfk s VAL 77 CO 0.62 -0.01 0.02 -0.36 -3.33 0.00 0.00 175.10 172.03 2dfk s PHE 78 N -0.03 3.15 -0.27 1.54 0.40 -0.78 -2.03 117.98 119.96 2dfk s PHE 78 Ca -0.03 0.15 -0.05 0.00 -0.60 0.00 0.00 56.93 56.40 2dfk s PHE 78 Cb -0.04 -1.72 0.01 0.00 0.51 0.00 0.00 43.02 41.78 2dfk s PHE 78 CO 0.03 0.48 0.02 -0.51 0.70 0.00 0.00 175.22 175.95 2dfk s LEU 79 N -1.36 3.48 -0.40 -0.37 1.43 -0.06 -1.15 118.68 120.25 2dfk s LEU 79 Ca 0.18 -0.64 -0.10 0.00 -1.03 0.00 0.00 54.13 52.54 2dfk s LEU 79 Cb -0.12 -1.81 0.05 0.00 0.03 0.00 0.00 46.19 44.35 2dfk s LEU 79 CO 0.08 -0.13 0.23 -0.69 0.23 0.00 0.00 176.35 176.07 2dfk s VAL 80 N 1.47 4.44 -0.09 -1.59 1.01 -0.28 -0.97 120.40 124.39 2dfk s VAL 80 Ca 0.03 -1.10 -0.03 0.00 0.00 0.00 0.00 61.98 60.88 2dfk s VAL 80 Cb -0.16 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 2dfk s VAL 80 CO -0.00 -0.36 0.04 0.00 0.00 0.00 0.00 175.10 174.79 2dfk s PHE 82 N -0.95 0.96 -0.11 0.00 -0.12 -0.70 -4.23 117.98 112.83 2dfk s PHE 82 Ca 0.14 -1.10 -0.12 0.00 -0.05 0.00 0.00 56.93 55.80 2dfk s PHE 82 Cb -0.12 -0.56 -0.05 0.00 -0.63 0.00 0.00 43.02 41.67 2dfk s PHE 82 CO 0.04 -0.35 0.28 0.45 -0.05 0.00 0.00 175.22 175.59 2dfk s SER 83 N -3.08 6.52 0.06 1.98 0.15 -1.26 -0.83 113.70 117.23 2dfk s SER 83 Ca 0.21 0.61 0.19 0.00 0.70 0.00 0.00 55.95 57.66 2dfk s SER 83 Cb 0.07 -2.17 0.80 0.00 -1.71 0.00 0.00 66.02 63.00 2dfk s SER 83 CO 0.01 0.23 1.60 1.33 1.20 0.00 0.00 173.24 177.60 2dfk n VAL 84 N 2.77 0.79 -0.99 4.45 0.24 -0.72 -1.13 118.33 123.74 2dfk n VAL 84 Ca -0.14 0.18 0.07 0.00 -2.04 0.00 0.00 64.34 62.41 2dfk n VAL 84 Cb 0.53 -0.93 0.30 0.00 -1.47 0.00 0.00 33.84 32.27 2dfk n VAL 84 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 2dfk n VAL 85 N -1.67 2.46 -3.65 3.34 0.24 -1.26 -0.50 118.33 117.29 2dfk n VAL 85 Ca 0.04 -1.77 -0.29 0.00 -2.04 0.00 0.00 64.34 60.28 2dfk n VAL 85 Cb 0.22 -0.27 -0.14 0.00 -1.47 0.00 0.00 33.84 32.19 2dfk n VAL 85 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2dfk s SER 86 N -1.61 3.61 0.44 -1.34 0.15 -0.28 -4.91 113.70 109.76 2dfk s SER 86 Ca 0.46 -2.07 0.16 0.00 0.70 0.00 0.00 55.95 55.20 2dfk s SER 86 Cb 0.37 -0.77 1.09 0.00 -1.71 0.00 0.00 66.02 65.00 2dfk s SER 86 CO 0.11 -0.34 1.95 -0.65 1.20 0.00 0.00 173.24 175.51 2dfk h PRO 87 N 7.41 0.35 -0.32 5.44 0.11 -1.86 -2.46 132.00 140.67 2dfk h PRO 87 Ca -0.05 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.94 2dfk h PRO 87 Cb 0.97 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 2dfk h PRO 87 CO 0.42 0.23 -0.22 0.66 -0.21 0.00 0.00 178.00 178.89 2dfk h SER 88 N 0.36 0.61 0.08 -2.05 4.64 -1.95 -1.72 113.55 113.52 2dfk h SER 88 Ca 0.32 -0.20 -0.08 0.00 -0.47 0.00 0.00 61.79 61.35 2dfk h SER 88 Cb 0.74 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 2dfk h SER 88 CO -0.09 0.82 -0.27 0.77 -0.87 0.00 0.00 176.83 177.19 2dfk h SER 89 N 0.53 0.31 -0.17 4.97 4.64 -1.78 -0.35 113.55 121.70 2dfk h SER 89 Ca 0.08 -0.10 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 2dfk h SER 89 Cb 0.67 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2dfk h SER 89 CO 0.05 0.58 -0.07 0.15 -0.87 0.00 0.00 176.83 176.67 2dfk h PHE 90 N 0.27 0.41 -0.94 4.77 3.04 -1.17 -2.61 116.94 120.71 2dfk h PHE 90 Ca 0.04 -0.10 0.01 0.00 3.98 0.00 0.00 57.97 61.90 2dfk h PHE 90 Cb 0.63 -0.09 -0.05 0.00 2.56 0.00 0.00 35.95 38.99 2dfk h PHE 90 CO 0.01 0.65 0.62 1.49 -2.02 0.00 0.00 178.31 179.07 2dfk h GLU 91 N 0.04 1.23 -0.02 1.11 4.57 -1.11 -2.17 114.58 118.23 2dfk h GLU 91 Ca 0.04 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 2dfk h GLU 91 Cb 0.54 -0.28 -0.00 0.00 -0.16 0.00 0.00 28.75 28.85 2dfk h GLU 91 CO 0.02 0.82 -0.05 -0.91 -1.18 0.00 0.00 179.01 177.71 2dfk h ASN 92 N 1.27 0.03 -0.45 1.04 -0.26 -1.00 -1.19 115.58 115.02 2dfk h ASN 92 Ca 0.34 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.09 2dfk h ASN 92 Cb -0.15 -0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 37.08 2dfk h ASN 92 CO -0.07 0.08 0.29 0.58 -1.06 0.00 0.00 177.43 177.25 2dfk h VAL 93 N 0.03 1.12 -0.12 2.81 2.07 -0.99 0.16 116.25 121.32 2dfk h VAL 93 Ca 0.01 -0.22 -0.23 0.00 0.82 0.00 0.00 66.70 67.08 2dfk h VAL 93 Cb 0.11 0.46 0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2dfk h VAL 93 CO 0.01 0.11 -0.82 0.50 0.02 0.00 0.00 177.57 177.39 2dfk h LYS 94 N 0.61 0.77 0.05 1.57 3.64 -1.41 -0.34 116.57 121.46 2dfk h LYS 94 Ca 0.16 -0.67 -0.34 0.00 -1.27 0.00 0.00 60.65 58.54 2dfk h LYS 94 Cb -0.07 0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.86 2dfk h LYS 94 CO -0.04 1.27 -1.98 0.39 -2.27 0.00 0.00 179.45 176.82 2dfk n GLU 95 N -3.93 0.69 -0.03 1.90 1.02 -0.49 -4.44 120.64 115.36 2dfk n GLU 95 Ca -0.08 0.24 -0.04 0.00 -0.02 0.00 0.00 57.16 57.26 2dfk n GLU 95 Cb 0.77 -1.70 -0.01 0.00 -0.02 0.00 0.00 31.44 30.47 2dfk n GLU 95 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2dfk n LYS 96 N -3.21 0.21 0.01 3.49 4.81 0.47 -4.72 118.16 119.22 2dfk n LYS 96 Ca -0.28 0.08 -0.13 0.00 -0.87 0.00 0.00 58.31 57.12 2dfk n LYS 96 Cb 1.06 -0.81 -0.10 0.00 0.02 0.00 0.00 35.03 35.20 2dfk n LYS 96 CO 0.00 0.00 0.00 -1.49 1.17 0.00 0.00 177.40 177.08 2dfk h TRP 97 N -0.40 -0.07 -0.07 5.64 4.06 -1.24 -1.80 115.95 122.08 2dfk h TRP 97 Ca 0.00 -0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.95 2dfk h TRP 97 Cb 0.40 0.02 -0.00 0.00 -1.00 0.00 0.00 29.16 28.58 2dfk h TRP 97 CO -0.17 0.44 0.04 0.28 -3.56 0.00 0.00 178.44 175.47 2dfk h VAL 98 N -0.63 1.05 -0.89 1.49 2.07 -1.30 0.95 116.25 118.99 2dfk h VAL 98 Ca -0.01 -0.12 0.17 0.00 0.82 0.00 0.00 66.70 67.56 2dfk h VAL 98 Cb 0.54 1.00 -0.10 0.00 -1.52 0.00 0.00 31.29 31.21 2dfk h VAL 98 CO 0.01 0.04 0.46 -0.65 0.02 0.00 0.00 177.57 177.45 2dfk h PRO 99 N 0.06 0.58 -0.00 1.57 0.11 -1.77 -0.50 132.00 132.05 2dfk h PRO 99 Ca 0.03 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 2dfk h PRO 99 Cb 0.03 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.01 2dfk h PRO 99 CO -0.00 0.38 -0.00 1.49 -0.21 0.00 0.00 178.00 179.65 2dfk h GLU 100 N 0.59 0.00 -0.47 1.05 4.81 -0.99 -1.51 114.58 118.07 2dfk h GLU 100 Ca 0.51 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.68 2dfk h GLU 100 Cb 0.80 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.16 2dfk h GLU 100 CO -0.41 0.76 0.09 -0.84 -0.73 0.00 0.00 179.01 177.88 2dfk h ILE 101 N -0.75 1.21 0.00 2.32 3.07 -0.72 -2.05 117.51 120.60 2dfk h ILE 101 Ca -0.00 -0.79 0.00 0.00 1.55 0.00 0.00 64.86 65.62 2dfk h ILE 101 Cb 0.76 0.76 0.00 0.00 -0.27 0.00 0.00 36.82 38.07 2dfk h ILE 101 CO 0.00 0.29 0.00 0.71 -1.05 0.00 0.00 178.15 178.10 2dfk h THR 102 N 0.69 0.00 -0.18 0.16 1.35 -1.14 -0.20 112.91 113.60 2dfk h THR 102 Ca 0.15 -0.86 -0.03 0.00 -0.55 0.00 0.00 66.41 65.12 2dfk h THR 102 Cb 0.30 1.86 -0.01 0.00 -1.73 0.00 0.00 68.15 68.58 2dfk h THR 102 CO 0.00 0.00 -0.01 -0.74 -0.25 0.00 0.00 175.52 174.52 2dfk h HIS 103 N 0.00 0.36 0.00 4.73 -0.00 -0.60 -3.11 115.15 116.53 2dfk h HIS 103 Ca 0.00 -0.07 -0.18 0.00 -0.00 0.00 0.00 60.37 60.12 2dfk h HIS 103 Cb 0.87 -0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 28.17 2dfk h HIS 103 CO 0.00 0.55 -0.83 0.45 -0.00 0.00 0.00 177.93 178.10 2dfk h HIS 104 N 0.06 0.11 -2.24 5.26 3.86 -1.23 -3.39 115.15 117.58 2dfk h HIS 104 Ca 0.05 -0.06 -0.58 0.00 -1.16 0.00 0.00 60.37 58.62 2dfk h HIS 104 Cb 0.42 -0.01 -0.39 0.00 1.06 0.00 0.00 27.41 28.48 2dfk h HIS 104 CO 0.04 0.87 -0.96 0.00 0.86 0.00 0.00 177.93 178.74 2dfk h PRO 106 N 4.71 0.00 -0.19 0.00 0.13 -1.75 -3.00 132.00 131.89 2dfk h PRO 106 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2dfk h PRO 106 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 2dfk h PRO 106 CO 0.49 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.90 2dfk n LYS 107 N -3.10 2.28 -3.16 0.86 5.02 -1.26 -4.99 118.16 113.82 2dfk n LYS 107 Ca -0.01 -1.69 -0.39 0.00 -2.02 0.00 0.00 58.31 54.20 2dfk n LYS 107 Cb 0.21 -1.18 -0.06 0.00 -0.02 0.00 0.00 35.03 33.98 2dfk n LYS 107 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2dfk s THR 108 N -0.92 5.07 0.60 -0.18 2.01 -1.14 -4.52 115.64 116.55 2dfk s THR 108 Ca 0.15 1.17 -0.19 0.00 0.31 0.00 0.00 61.69 63.13 2dfk s THR 108 Cb 0.08 -3.93 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 2dfk s THR 108 CO 0.11 0.19 1.22 -2.16 -0.69 0.00 0.00 174.62 173.29 2dfk s PRO 109 N 1.39 2.95 0.01 4.92 0.04 -1.26 -4.88 135.00 138.17 2dfk s PRO 109 Ca 0.29 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.19 2dfk s PRO 109 Cb -0.16 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 2dfk s PRO 109 CO 0.12 -1.23 -0.01 -0.59 0.04 0.00 0.00 177.00 175.33 2dfk s PHE 110 N -1.57 0.10 -0.06 0.56 -0.12 -1.26 -1.87 117.98 113.77 2dfk s PHE 110 Ca 0.78 -0.20 -0.04 0.00 -0.05 0.00 0.00 56.93 57.42 2dfk s PHE 110 Cb -0.31 -0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 41.97 2dfk s PHE 110 CO 0.34 -0.07 0.11 -0.51 -0.05 0.00 0.00 175.22 175.04 2dfk s LEU 111 N -0.55 4.14 -0.18 -1.99 1.02 -0.30 -1.23 118.68 119.59 2dfk s LEU 111 Ca -0.06 0.31 -0.23 0.00 0.02 0.00 0.00 54.13 54.17 2dfk s LEU 111 Cb -0.04 -2.21 -0.02 0.00 0.02 0.00 0.00 46.19 43.94 2dfk s LEU 111 CO -0.00 0.34 0.73 -0.22 0.02 0.00 0.00 176.35 177.22 2dfk s LEU 112 N -1.40 4.17 -0.20 1.79 2.96 -0.39 -1.12 118.68 124.48 2dfk s LEU 112 Ca 0.20 1.02 0.01 0.00 -0.22 0.00 0.00 54.13 55.14 2dfk s LEU 112 Cb -0.12 -3.07 0.03 0.00 0.50 0.00 0.00 46.19 43.53 2dfk s LEU 112 CO 0.10 -0.33 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.95 2dfk s VAL 113 N 1.98 1.99 -0.12 1.68 1.01 0.08 -1.32 120.40 125.70 2dfk s VAL 113 Ca 0.34 -1.11 -0.21 0.00 0.00 0.00 0.00 61.98 61.00 2dfk s VAL 113 Cb -0.16 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 2dfk s VAL 113 CO 0.12 0.33 0.62 -0.83 0.00 0.00 0.00 175.10 175.33 2dfk s GLY 114 N 1.27 2.41 0.44 4.51 0.00 -0.23 -1.73 107.32 114.00 2dfk s GLY 114 Ca 0.00 -0.06 0.07 0.00 0.00 0.00 0.00 44.72 44.73 2dfk s GLY 114 CO -0.10 1.10 0.34 -0.51 0.00 0.00 0.00 173.10 173.93 2dfk s THR 115 N 1.04 2.37 -1.56 0.90 -4.23 -0.01 -1.03 115.64 113.11 2dfk s THR 115 Ca 0.32 -1.45 -0.04 0.00 -1.18 0.00 0.00 61.69 59.33 2dfk s THR 115 Cb -0.16 -2.82 0.00 0.00 1.34 0.00 0.00 72.50 70.86 2dfk s THR 115 CO 0.14 0.00 0.55 0.00 -0.54 0.00 0.00 174.62 174.77 2dfk n GLN 116 N -1.52 -4.60 0.26 3.99 6.02 -1.10 -1.76 117.38 118.67 2dfk n GLN 116 Ca 0.02 0.91 0.13 0.00 -0.01 0.00 0.00 57.00 58.04 2dfk n GLN 116 Cb 0.63 -5.73 0.69 0.00 1.02 0.00 0.00 30.24 26.84 2dfk n GLN 116 CO 0.00 0.00 0.00 -0.84 -1.01 0.00 0.00 177.06 175.21 2dfk h ILE 117 N -1.27 0.53 -0.22 5.09 3.07 -1.85 -1.13 117.51 121.74 2dfk h ILE 117 Ca -0.52 -0.64 0.06 0.00 1.55 0.00 0.00 64.86 65.31 2dfk h ILE 117 Cb 1.36 1.43 -0.01 0.00 -0.27 0.00 0.00 36.82 39.33 2dfk h ILE 117 CO 0.56 0.13 0.20 -2.24 -1.05 0.00 0.00 178.15 175.75 2dfk h ASP 118 N 0.00 0.00 0.16 2.16 3.04 -1.90 -1.89 116.42 117.99 2dfk h ASP 118 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2dfk h ASP 118 Cb 0.42 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.71 2dfk h ASP 118 CO 0.02 0.00 -0.05 0.18 -2.04 0.00 0.00 179.24 177.35 2dfk n LEU 119 N -4.05 0.60 0.29 0.15 4.77 -0.43 -4.25 117.00 114.08 2dfk n LEU 119 Ca 0.02 -0.13 0.17 0.00 -0.03 0.00 0.00 56.01 56.04 2dfk n LEU 119 Cb 0.33 -0.08 0.82 0.00 -2.33 0.00 0.00 43.42 42.17 2dfk n LEU 119 CO 0.31 0.10 1.02 -0.09 -1.33 0.00 0.00 177.39 177.40 2dfk h ARG 120 N 0.87 0.00 -1.01 3.23 2.43 -1.46 -2.18 114.38 116.26 2dfk h ARG 120 Ca 0.00 0.00 -0.37 0.00 -0.81 0.00 0.00 59.98 58.80 2dfk h ARG 120 Cb 0.29 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 29.44 2dfk h ARG 120 CO 0.00 0.05 -1.15 -0.40 -1.51 0.00 0.00 179.97 176.96 2dfk n ASP 121 N -3.29 1.74 -4.68 -3.80 5.68 -1.26 -4.88 116.55 106.05 2dfk n ASP 121 Ca -0.01 -2.76 -0.41 0.00 -0.50 0.00 0.00 54.79 51.11 2dfk n ASP 121 Cb 0.23 -0.52 -0.04 0.00 -1.14 0.00 0.00 41.12 39.65 2dfk n ASP 121 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2dfk s ASP 122 N -3.20 7.01 0.14 -1.12 -1.08 -0.82 -5.01 116.67 112.60 2dfk s ASP 122 Ca 0.29 1.24 -0.27 0.00 -0.52 0.00 0.00 52.55 53.29 2dfk s ASP 122 Cb 0.45 -2.47 -0.02 0.00 -1.46 0.00 0.00 42.92 39.43 2dfk s ASP 122 CO 0.02 -0.37 1.59 -0.65 0.52 0.00 0.00 175.17 176.28 2dfk h PRO 123 N 7.21 -0.38 -0.54 4.34 0.11 -1.96 -2.09 132.00 138.70 2dfk h PRO 123 Ca -0.31 0.03 0.10 0.00 0.11 0.00 0.00 66.00 65.92 2dfk h PRO 123 Cb 1.14 0.09 -0.11 0.00 0.11 0.00 0.00 31.00 32.23 2dfk h PRO 123 CO 0.83 -0.25 -0.34 0.77 -0.21 0.00 0.00 178.00 178.80 2dfk h SER 124 N -0.39 -1.15 -0.31 -2.05 0.02 -1.97 -2.84 113.55 104.85 2dfk h SER 124 Ca 0.11 0.22 0.02 0.00 -0.84 0.00 0.00 61.79 61.30 2dfk h SER 124 Cb 0.59 0.56 -0.02 0.00 0.14 0.00 0.00 62.40 63.66 2dfk h SER 124 CO -0.46 -0.31 0.17 0.74 -1.14 0.00 0.00 176.83 175.83 2dfk h THR 125 N -0.19 1.01 -0.66 -2.27 2.02 -1.71 -0.65 112.91 110.47 2dfk h THR 125 Ca 0.21 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 2dfk h THR 125 Cb 0.55 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 2dfk h THR 125 CO -0.64 0.06 0.35 0.40 0.37 0.00 0.00 175.52 176.07 2dfk h ILE 126 N 0.35 1.20 -0.21 3.11 2.04 -1.35 -1.53 117.51 121.12 2dfk h ILE 126 Ca 0.12 -0.51 -0.11 0.00 1.00 0.00 0.00 64.86 65.36 2dfk h ILE 126 Cb 0.02 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 36.42 2dfk h ILE 126 CO -0.07 0.22 -0.31 1.05 0.00 0.00 0.00 178.15 179.04 2dfk h GLU 127 N 0.91 0.59 -0.66 2.37 4.11 -1.00 -1.07 114.58 119.83 2dfk h GLU 127 Ca 0.23 -0.35 0.05 0.00 0.07 0.00 0.00 59.36 59.36 2dfk h GLU 127 Cb 0.03 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 2dfk h GLU 127 CO -0.04 0.95 0.38 0.87 0.07 0.00 0.00 179.01 181.25 2dfk h LYS 128 N 0.27 0.70 -0.56 1.06 6.56 -1.01 -1.56 116.57 122.03 2dfk h LYS 128 Ca 0.02 -0.04 -0.01 0.00 -1.06 0.00 0.00 60.65 59.56 2dfk h LYS 128 Cb 0.89 -0.16 -0.03 0.00 -0.57 0.00 0.00 32.23 32.37 2dfk h LYS 128 CO 0.07 0.46 0.30 -0.07 -2.06 0.00 0.00 179.45 178.16 2dfk h LEU 129 N 0.72 0.70 -2.14 2.94 3.38 -1.22 -2.83 115.31 116.87 2dfk h LEU 129 Ca 0.28 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 2dfk h LEU 129 Cb 0.12 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 2dfk h LEU 129 CO -0.15 0.60 -0.06 0.00 0.09 0.00 0.00 178.44 178.92 2dfk h ALA 130 N 1.13 1.54 -0.26 1.53 0.00 -0.45 0.13 119.26 122.89 2dfk h ALA 130 Ca 0.20 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 2dfk h ALA 130 Cb 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2dfk h ALA 130 CO -0.03 0.07 -0.19 0.87 0.00 0.00 0.00 179.25 179.97 2dfk h LYS 131 N 0.00 0.47 -0.65 0.00 1.79 -1.05 -2.45 116.57 114.68 2dfk h LYS 131 Ca -0.00 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 2dfk h LYS 131 Cb 0.14 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 2dfk h LYS 131 CO 0.01 0.64 0.00 0.09 -1.08 0.00 0.00 179.45 179.11 2dfk n ASN 132 N -4.16 3.77 -3.17 0.86 5.03 -0.87 -4.92 115.26 111.79 2dfk n ASN 132 Ca 0.00 -2.44 -0.23 0.00 0.87 0.00 0.00 54.58 52.78 2dfk n ASN 132 Cb 0.36 -0.54 0.04 0.00 -1.02 0.00 0.00 39.78 38.62 2dfk n ASN 132 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2dfk n LYS 133 N 0.60 -5.44 -4.26 3.52 4.76 -0.92 -5.02 118.16 111.40 2dfk n LYS 133 Ca 0.18 0.87 -0.27 0.00 -2.87 0.00 0.00 58.31 56.22 2dfk n LYS 133 Cb 0.75 -5.76 -0.06 0.00 -1.84 0.00 0.00 35.03 28.12 2dfk n LYS 133 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 2dfk s GLN 134 N -5.86 2.20 0.12 1.97 -0.21 0.40 -4.97 119.66 113.31 2dfk s GLN 134 Ca 0.37 -2.05 -0.18 0.00 0.02 0.00 0.00 55.36 53.52 2dfk s GLN 134 Cb -0.17 -1.87 0.04 0.00 1.00 0.00 0.00 33.01 32.01 2dfk s GLN 134 CO 0.46 -0.30 0.46 -1.59 -2.12 0.00 0.00 175.29 172.20 2dfk s LYS 135 N -3.98 1.11 0.60 2.91 -2.85 -1.26 -3.59 119.74 112.68 2dfk s LYS 135 Ca 0.30 -0.59 -0.18 0.00 -1.00 0.00 0.00 55.97 54.50 2dfk s LYS 135 Cb 0.02 0.49 -0.06 0.00 -2.06 0.00 0.00 37.83 36.23 2dfk s LYS 135 CO 0.17 -0.44 0.83 -2.30 0.10 0.00 0.00 175.35 173.71 2dfk n PRO 136 N -0.16 0.76 -2.55 1.78 -0.02 -1.26 -4.76 135.00 128.78 2dfk n PRO 136 Ca -0.17 0.30 -0.42 0.00 -2.02 0.00 0.00 63.50 61.19 2dfk n PRO 136 Cb 0.63 -2.03 -0.03 0.00 -0.02 0.00 0.00 33.50 32.05 2dfk n PRO 136 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2dfk s ILE 137 N -1.58 4.40 0.44 4.25 1.09 0.34 -5.01 121.20 125.13 2dfk s ILE 137 Ca 0.74 1.72 -0.06 0.00 -1.10 0.00 0.00 60.65 61.95 2dfk s ILE 137 Cb -0.42 -4.10 -0.04 0.00 -1.06 0.00 0.00 42.46 36.83 2dfk s ILE 137 CO 0.49 0.12 0.75 0.28 -0.10 0.00 0.00 174.94 176.48 2dfk s THR 138 N 1.13 4.90 0.32 2.92 -1.32 -1.26 -4.90 115.64 117.44 2dfk s THR 138 Ca 0.56 0.25 0.03 0.00 -1.21 0.00 0.00 61.69 61.31 2dfk s THR 138 Cb -0.26 -3.82 0.15 0.00 -1.51 0.00 0.00 72.50 67.07 2dfk s THR 138 CO 0.28 -0.71 1.86 -0.65 -2.21 0.00 0.00 174.62 173.18 2dfk h PRO 139 N 0.61 0.60 -0.58 7.08 0.11 -1.99 -2.35 132.00 135.48 2dfk h PRO 139 Ca -0.47 -0.13 -0.02 0.00 0.11 0.00 0.00 66.00 65.49 2dfk h PRO 139 Cb 1.20 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 2dfk h PRO 139 CO 0.62 0.60 0.29 0.93 -0.21 0.00 0.00 178.00 180.24 2dfk h GLU 140 N 0.57 0.81 -0.14 1.05 5.08 -1.99 -0.06 114.58 119.90 2dfk h GLU 140 Ca 0.12 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2dfk h GLU 140 Cb 0.33 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2dfk h GLU 140 CO 0.01 0.62 0.02 1.15 -1.00 0.00 0.00 179.01 179.81 2dfk h THR 141 N 0.81 1.22 -0.79 1.13 2.02 -1.85 -1.97 112.91 113.49 2dfk h THR 141 Ca 0.20 -0.72 -0.04 0.00 0.77 0.00 0.00 66.41 66.62 2dfk h THR 141 Cb 0.07 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 2dfk h THR 141 CO -0.03 0.21 0.33 0.00 0.37 0.00 0.00 175.52 176.40 2dfk h ALA 142 N 0.80 1.02 -0.35 6.16 0.00 -1.33 -2.74 119.26 122.82 2dfk h ALA 142 Ca 0.04 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 2dfk h ALA 142 Cb 0.31 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2dfk h ALA 142 CO 0.00 0.63 -0.05 0.93 0.00 0.00 0.00 179.25 180.77 2dfk h GLU 143 N 1.13 0.57 -0.41 0.00 5.08 -0.94 -0.58 114.58 119.43 2dfk h GLU 143 Ca 0.26 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2dfk h GLU 143 Cb 0.19 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2dfk h GLU 143 CO -0.02 0.63 0.21 -0.22 -1.00 0.00 0.00 179.01 178.61 2dfk h LYS 144 N 0.54 0.58 -0.68 2.33 3.64 -1.21 -1.12 116.57 120.65 2dfk h LYS 144 Ca 0.11 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 2dfk h LYS 144 Cb 0.42 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 2dfk h LYS 144 CO 0.02 0.49 0.27 1.25 -2.27 0.00 0.00 179.45 179.21 2dfk h LEU 145 N 0.53 0.94 -0.98 5.20 6.46 -1.16 -0.89 115.31 125.41 2dfk h LEU 145 Ca 0.14 -0.17 0.07 0.00 -0.12 0.00 0.00 57.88 57.80 2dfk h LEU 145 Cb 0.08 -0.24 -0.07 0.00 -0.73 0.00 0.00 40.66 39.70 2dfk h LEU 145 CO -0.02 0.86 0.63 0.00 -0.62 0.00 0.00 178.44 179.28 2dfk h ALA 146 N 1.12 1.36 -0.05 1.25 0.00 -0.75 0.11 119.26 122.30 2dfk h ALA 146 Ca 0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2dfk h ALA 146 Cb 0.21 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2dfk h ALA 146 CO -0.02 0.40 -0.02 0.00 0.00 0.00 0.00 179.25 179.61 2dfk h ARG 147 N 1.13 0.11 -0.72 0.00 3.08 -0.71 -0.94 114.38 116.33 2dfk h ARG 147 Ca 0.43 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.43 2dfk h ARG 147 Cb 0.19 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 2dfk h ARG 147 CO -0.18 0.49 0.45 -0.44 -1.07 0.00 0.00 179.97 179.22 2dfk h ASP 148 N -0.27 0.86 0.00 7.04 3.32 -0.81 -2.86 116.42 123.70 2dfk h ASP 148 Ca 0.01 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2dfk h ASP 148 Cb 0.46 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2dfk h ASP 148 CO 0.01 0.65 -0.05 0.18 -1.72 0.00 0.00 179.24 178.31 2dfk n LEU 149 N -4.40 1.93 -2.43 1.55 4.77 -0.00 -4.96 117.00 113.46 2dfk n LEU 149 Ca 0.08 -0.64 -0.17 0.00 -0.03 0.00 0.00 56.01 55.25 2dfk n LEU 149 Cb 0.06 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.17 2dfk n LEU 149 CO 0.37 0.33 0.05 0.29 -1.33 0.00 0.00 177.39 177.09 2dfk n LYS 150 N 0.44 -4.25 -1.73 3.23 4.76 -0.71 -5.02 118.16 114.88 2dfk n LYS 150 Ca 0.16 0.66 -0.35 0.00 -2.87 0.00 0.00 58.31 55.92 2dfk n LYS 150 Cb 0.43 -5.05 0.06 0.00 -1.84 0.00 0.00 35.03 28.64 2dfk n LYS 150 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2dfk s ALA 151 N -3.07 2.35 0.14 7.82 0.00 -0.44 -4.84 121.76 123.72 2dfk s ALA 151 Ca 0.28 0.89 -0.15 0.00 0.00 0.00 0.00 51.96 52.99 2dfk s ALA 151 Cb -0.12 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.56 2dfk s ALA 151 CO 0.35 -1.49 1.65 0.28 0.00 0.00 0.00 175.76 176.54 2dfk h VAL 152 N 0.26 1.23 -2.49 0.00 2.07 -1.49 -3.45 116.25 112.37 2dfk h VAL 152 Ca -0.49 -0.79 0.15 0.00 0.82 0.00 0.00 66.70 66.39 2dfk h VAL 152 Cb 1.29 0.90 -0.06 0.00 -1.52 0.00 0.00 31.29 31.91 2dfk h VAL 152 CO 0.53 0.28 0.48 -1.59 0.02 0.00 0.00 177.57 177.29 2dfk s LYS 153 N -5.32 1.36 -0.19 1.57 -2.85 -1.26 -5.07 119.74 107.98 2dfk s LYS 153 Ca -0.13 -0.81 -0.07 0.00 -1.00 0.00 0.00 55.97 53.96 2dfk s LYS 153 Cb 0.11 0.43 -0.04 0.00 -2.06 0.00 0.00 37.83 36.27 2dfk s LYS 153 CO 0.78 -0.63 0.06 -0.47 0.10 0.00 0.00 175.35 175.19 2dfk s TYR 154 N -2.90 3.20 0.03 1.78 5.04 -1.26 -1.27 117.35 121.98 2dfk s TYR 154 Ca 0.15 -0.03 0.04 0.00 -2.44 0.00 0.00 57.07 54.79 2dfk s TYR 154 Cb -0.02 -2.10 -0.02 0.00 0.35 0.00 0.00 41.96 40.16 2dfk s TYR 154 CO 0.04 0.05 -0.12 0.14 -1.34 0.00 0.00 175.55 174.32 2dfk s VAL 155 N 0.61 0.92 0.32 3.14 -7.23 -0.43 -5.00 120.40 112.73 2dfk s VAL 155 Ca 0.03 -0.89 0.09 0.00 -1.81 0.00 0.00 61.98 59.40 2dfk s VAL 155 Cb -0.13 -0.84 -0.06 0.00 0.56 0.00 0.00 36.38 35.90 2dfk s VAL 155 CO 0.01 -0.03 -0.09 -1.61 -0.31 0.00 0.00 175.10 173.07 2dfk s GLU 156 N -1.04 1.74 0.01 4.82 2.02 -1.26 -1.06 118.70 123.93 2dfk s GLU 156 Ca -0.00 -1.89 -0.28 0.00 0.02 0.00 0.00 54.97 52.82 2dfk s GLU 156 Cb -0.07 -1.56 0.10 0.00 0.10 0.00 0.00 34.13 32.69 2dfk s GLU 156 CO 0.01 0.12 0.89 0.00 0.02 0.00 0.00 175.26 176.30 2dfk s SER 158 N -2.53 2.78 0.28 0.00 0.15 -0.56 -2.69 113.70 111.13 2dfk s SER 158 Ca 0.05 -0.52 0.09 0.00 0.70 0.00 0.00 55.95 56.28 2dfk s SER 158 Cb -0.01 -1.26 0.39 0.00 -1.71 0.00 0.00 66.02 63.43 2dfk s SER 158 CO -0.08 0.01 1.64 0.00 1.20 0.00 0.00 173.24 176.01 2dfk h ALA 159 N 7.64 1.02 0.04 5.45 0.00 -1.92 -0.63 119.26 130.87 2dfk h ALA 159 Ca -0.35 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.04 2dfk h ALA 159 Cb 1.16 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2dfk h ALA 159 CO 0.54 0.71 -0.02 1.25 0.00 0.00 0.00 179.25 181.73 2dfk h LEU 160 N 0.05 -0.04 -0.20 0.00 5.85 -1.95 -3.29 115.31 115.73 2dfk h LEU 160 Ca -0.00 -0.53 0.00 0.00 0.84 0.00 0.00 57.88 58.19 2dfk h LEU 160 Cb 1.02 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.06 2dfk h LEU 160 CO 0.08 0.52 -0.54 0.35 -0.34 0.00 0.00 178.44 178.51 2dfk n THR 161 N -4.84 0.00 -0.94 1.05 -2.24 -1.25 -4.70 114.28 101.36 2dfk n THR 161 Ca -0.09 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2dfk n THR 161 Cb 0.29 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 2dfk n THR 161 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dfk n GLN 162 N -1.18 -1.53 -1.68 -0.78 6.02 -0.24 -4.98 117.38 113.02 2dfk n GLN 162 Ca 0.07 0.38 -0.46 0.00 -0.01 0.00 0.00 57.00 56.99 2dfk n GLN 162 Cb 0.35 -4.69 -0.04 0.00 1.02 0.00 0.00 30.24 26.87 2dfk n GLN 162 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2dfk n LYS 163 N 0.19 2.40 -0.49 -1.09 4.81 -1.22 -2.00 118.16 120.75 2dfk n LYS 163 Ca 0.00 0.87 0.00 0.00 -0.87 0.00 0.00 58.31 58.31 2dfk n LYS 163 Cb 0.38 -2.72 0.00 0.00 0.02 0.00 0.00 35.03 32.71 2dfk n LYS 163 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2dfk n GLY 164 N 4.12 1.91 0.14 3.14 0.00 -1.26 -1.50 105.19 111.74 2dfk n GLY 164 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 2dfk n GLY 164 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2dfk h LEU 165 N 0.00 -0.21 -1.03 0.99 5.85 -1.67 -2.30 115.31 116.95 2dfk h LEU 165 Ca 0.00 -0.27 0.11 0.00 0.84 0.00 0.00 57.88 58.57 2dfk h LEU 165 Cb 0.00 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.00 2dfk h LEU 165 CO 0.00 0.18 0.63 0.50 -0.34 0.00 0.00 178.44 179.41 2dfk h LYS 166 N -0.63 0.97 -0.68 1.25 3.64 -1.91 -2.25 116.57 116.95 2dfk h LYS 166 Ca -0.03 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.31 2dfk h LYS 166 Cb 0.46 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 2dfk h LYS 166 CO 0.04 0.64 0.45 -0.97 -2.27 0.00 0.00 179.45 177.35 2dfk h ASN 167 N 1.00 0.77 -0.27 4.20 -0.73 -1.89 -1.67 115.58 116.99 2dfk h ASN 167 Ca 0.49 -0.02 0.03 0.00 1.87 0.00 0.00 56.30 58.67 2dfk h ASN 167 Cb 0.46 -0.19 -0.03 0.00 0.27 0.00 0.00 38.32 38.83 2dfk h ASN 167 CO -0.25 0.56 0.07 0.58 -0.37 0.00 0.00 177.43 178.02 2dfk h VAL 168 N 0.91 0.90 0.00 2.57 2.07 -0.82 0.05 116.25 121.93 2dfk h VAL 168 Ca 0.25 -0.06 -0.16 0.00 0.82 0.00 0.00 66.70 67.55 2dfk h VAL 168 Cb -0.09 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 2dfk h VAL 168 CO -0.06 0.03 -0.77 -0.26 0.02 0.00 0.00 177.57 176.53 2dfk h PHE 169 N 0.18 0.00 -0.47 1.57 -1.00 -1.46 -0.53 116.94 115.24 2dfk h PHE 169 Ca 0.12 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.85 2dfk h PHE 169 Cb 0.11 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.65 2dfk h PHE 169 CO -0.15 0.77 0.10 -0.44 -1.61 0.00 0.00 178.31 176.99 2dfk h ASP 170 N 0.00 0.72 0.18 2.17 3.32 -1.08 -1.76 116.42 119.98 2dfk h ASP 170 Ca -0.01 -0.24 -0.13 0.00 0.02 0.00 0.00 57.03 56.67 2dfk h ASP 170 Cb 1.40 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 2dfk h ASP 170 CO 0.10 0.78 -0.48 -0.33 -1.72 0.00 0.00 179.24 177.59 2dfk h GLU 171 N 0.63 0.35 -0.29 3.56 4.39 -0.72 -1.74 114.58 120.76 2dfk h GLU 171 Ca 0.15 -0.19 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 2dfk h GLU 171 Cb 0.35 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 2dfk h GLU 171 CO 0.00 0.75 0.17 0.00 -1.16 0.00 0.00 179.01 178.77 2dfk h ALA 172 N 1.22 0.37 -0.32 3.43 0.00 -0.89 -1.22 119.26 121.84 2dfk h ALA 172 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2dfk h ALA 172 Cb 0.95 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2dfk h ALA 172 CO 0.08 -0.12 0.21 0.82 0.00 0.00 0.00 179.25 180.24 2dfk h ILE 173 N 0.36 1.09 -0.85 0.00 2.04 -1.15 -2.19 117.51 116.81 2dfk h ILE 173 Ca 0.10 -0.17 0.04 0.00 1.00 0.00 0.00 64.86 65.84 2dfk h ILE 173 Cb 0.04 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 2dfk h ILE 173 CO -0.02 0.08 0.56 -0.07 0.00 0.00 0.00 178.15 178.70 2dfk h LEU 174 N 0.43 0.89 -0.54 1.44 3.38 -1.20 -2.06 115.31 117.64 2dfk h LEU 174 Ca 0.12 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.92 2dfk h LEU 174 Cb -0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 2dfk h LEU 174 CO -0.02 0.60 -0.68 0.00 0.09 0.00 0.00 178.44 178.43 2dfk h ALA 175 N 1.51 0.75 -0.20 1.53 0.00 -1.00 -2.99 119.26 118.86 2dfk h ALA 175 Ca 0.34 -0.59 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 2dfk h ALA 175 Cb 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2dfk h ALA 175 CO -0.11 0.78 -0.36 0.00 0.00 0.00 0.00 179.25 179.56 2dfk h ALA 176 N 1.12 1.01 -0.22 0.00 0.00 -1.05 -3.08 119.26 117.04 2dfk h ALA 176 Ca -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2dfk h ALA 176 Cb 1.22 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2dfk h ALA 176 CO 0.11 0.60 0.00 1.28 0.00 0.00 0.00 179.25 181.24 2dfk n LEU 177 N -4.05 1.52 -4.75 0.00 4.77 -0.81 -4.91 117.00 108.77 2dfk n LEU 177 Ca -0.01 -0.77 -0.39 0.00 -0.03 0.00 0.00 56.01 54.81 2dfk n LEU 177 Cb 0.47 -0.25 -0.05 0.00 -2.33 0.00 0.00 43.42 41.26 2dfk n LEU 177 CO 0.43 0.32 0.40 -1.61 -1.33 0.00 0.00 177.39 175.60 2dfk s GLU 178 N -1.66 4.43 -0.03 3.23 8.01 -1.17 -5.07 118.70 126.44 2dfk s GLU 178 Ca 0.16 0.93 -0.30 0.00 0.01 0.00 0.00 54.97 55.77 2dfk s GLU 178 Cb 0.09 -3.36 -0.07 0.00 -4.31 0.00 0.00 34.13 26.48 2dfk s GLU 178 CO 0.09 0.29 1.77 -2.14 0.01 0.00 0.00 175.26 175.29 2dfk s PRO 179 N -0.03 4.13 0.00 0.39 0.02 -1.26 -4.98 135.00 133.27 2dfk s PRO 179 Ca 0.36 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.69 2dfk s PRO 179 Cb -0.19 -4.06 0.00 0.00 0.02 0.00 0.00 34.50 30.27 2dfk s PRO 179 CO 0.20 -0.92 0.00 -1.13 -0.33 0.00 0.00 177.00 174.82 2dfk n SER 185 N 7.41 0.00 0.08 2.53 3.41 -1.26 -5.12 113.62 120.67 2dfk n SER 185 Ca 0.18 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.92 2dfk n SER 185 Cb 0.42 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.56 2dfk n SER 185 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2dfk h ARG 186 N 0.00 0.00 -6.48 4.33 3.08 -1.94 -3.45 114.38 109.92 2dfk h ARG 186 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 2dfk h ARG 186 Cb 0.00 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.07 2dfk h ARG 186 CO 0.00 0.00 0.92 0.50 -1.07 0.00 0.00 179.97 180.32 2dfk s ARG 187 N -3.18 4.23 -0.17 0.04 3.52 -1.26 -3.37 118.95 118.76 2dfk s ARG 187 Ca 0.06 2.25 -0.31 0.00 -0.13 0.00 0.00 55.73 57.61 2dfk s ARG 187 Cb 0.12 -3.48 -0.08 0.00 -1.56 0.00 0.00 34.95 29.96 2dfk s ARG 187 CO 0.71 -0.65 2.12 0.00 -0.81 0.00 0.00 175.30 176.66 2dfk n VAL 189 N 6.80 0.00 -0.46 0.00 0.24 -1.26 0.54 118.33 124.19 2dfk n VAL 189 Ca 0.29 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.59 2dfk n VAL 189 Cb 0.38 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 2dfk n VAL 189 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2dfk n LEU 190 N 0.00 0.00 0.00 1.34 7.99 -1.26 -4.91 117.00 120.16 2dfk n LEU 190 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 2dfk n LEU 190 Cb 0.00 -1.39 0.00 0.00 -0.11 0.00 0.00 43.42 41.92 2dfk n LEU 190 CO 0.00 0.00 0.00 0.18 -1.51 0.00 0.00 177.39 176.06