#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rf9 n ASN 676 N 0.00 -2.69 -2.16 2.55 2.85 -1.26 -4.14 115.26 110.41 2rf9 n ASN 676 Ca 0.00 0.00 -0.24 0.00 -0.11 0.00 0.00 54.58 54.23 2rf9 n ASN 676 Cb 0.00 0.00 0.15 0.00 1.24 0.00 0.00 39.78 41.17 2rf9 n ASN 676 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2rf9 n GLN 677 N -0.69 2.23 -3.74 1.20 10.64 -1.26 -4.93 117.38 120.83 2rf9 n GLN 677 Ca 0.00 -2.83 -0.14 0.00 -1.83 0.00 0.00 57.00 52.21 2rf9 n GLN 677 Cb 0.00 -2.11 -0.08 0.00 -0.86 0.00 0.00 30.24 27.19 2rf9 n GLN 677 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2rf9 s ALA 678 N -3.14 -0.85 0.13 2.61 0.00 -1.26 -5.09 121.76 114.16 2rf9 s ALA 678 Ca 0.54 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.88 2rf9 s ALA 678 Cb 0.45 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.65 2rf9 s ALA 678 CO 0.08 -0.28 0.00 1.28 0.00 0.00 0.00 175.76 176.85 2rf9 n LEU 679 N 1.21 -4.24 -1.83 0.00 4.77 -1.26 -4.81 117.00 110.84 2rf9 n LEU 679 Ca -0.21 1.78 -0.00 0.00 -0.03 0.00 0.00 56.01 57.54 2rf9 n LEU 679 Cb 0.56 -2.05 0.00 0.00 -2.33 0.00 0.00 43.42 39.60 2rf9 n LEU 679 CO 0.22 -0.87 0.07 0.00 -1.33 0.00 0.00 177.39 175.47 2rf9 n LEU 680 N 0.91 -3.00 -4.71 2.23 -0.00 -1.26 -4.93 117.00 106.25 2rf9 n LEU 680 Ca 0.00 -0.03 -0.42 0.00 -0.00 0.00 0.00 56.01 55.56 2rf9 n LEU 680 Cb 0.00 -1.46 -0.03 0.00 -0.00 0.00 0.00 43.42 41.94 2rf9 n LEU 680 CO 0.00 -0.22 1.28 -0.13 -0.00 0.00 0.00 177.39 178.33 2rf9 s ARG 681 N -3.03 4.20 0.17 1.47 3.00 -1.26 -4.88 118.95 118.62 2rf9 s ARG 681 Ca 0.01 2.37 -0.02 0.00 0.00 0.00 0.00 55.73 58.08 2rf9 s ARG 681 Cb -0.00 -3.34 -0.05 0.00 0.00 0.00 0.00 34.95 31.56 2rf9 s ARG 681 CO 0.16 -0.67 0.37 0.42 0.00 0.00 0.00 175.30 175.58 2rf9 s ILE 682 N 1.79 5.20 -0.06 1.52 1.01 -1.26 -1.26 121.20 128.15 2rf9 s ILE 682 Ca 0.72 -0.20 0.04 0.00 0.00 0.00 0.00 60.65 61.21 2rf9 s ILE 682 Cb -0.42 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.34 2rf9 s ILE 682 CO 0.32 -0.06 -0.17 -0.76 0.00 0.00 0.00 174.94 174.27 2rf9 s LEU 683 N -2.98 2.57 0.11 2.97 1.43 0.81 -4.87 118.68 118.72 2rf9 s LEU 683 Ca 0.39 -0.28 -0.30 0.00 -1.03 0.00 0.00 54.13 52.91 2rf9 s LEU 683 Cb -0.12 -1.52 -0.06 0.00 0.03 0.00 0.00 46.19 44.53 2rf9 s LEU 683 CO 0.27 0.30 1.11 -1.59 0.23 0.00 0.00 176.35 176.67 2rf9 s LYS 684 N -0.49 4.54 -0.21 1.70 0.00 -1.26 -4.57 119.74 119.45 2rf9 s LYS 684 Ca 0.06 1.68 -0.01 0.00 0.00 0.00 0.00 55.97 57.69 2rf9 s LYS 684 Cb -0.12 -3.33 -0.01 0.00 0.00 0.00 0.00 37.83 34.37 2rf9 s LYS 684 CO 0.01 -0.05 1.25 -1.91 0.00 0.00 0.00 175.35 174.66 2rf9 n GLU 685 N 3.14 0.49 0.00 1.78 2.13 -1.26 -2.14 120.64 124.77 2rf9 n GLU 685 Ca 0.05 -0.71 0.00 0.00 0.66 0.00 0.00 57.16 57.17 2rf9 n GLU 685 Cb 0.47 -2.09 0.00 0.00 0.27 0.00 0.00 31.44 30.09 2rf9 n GLU 685 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2rf9 n THR 686 N 4.74 0.00 -0.90 6.31 -2.24 -1.26 -4.91 114.28 116.02 2rf9 n THR 686 Ca 0.10 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.74 2rf9 n THR 686 Cb 0.03 0.08 0.21 0.00 -2.10 0.00 0.00 70.33 68.55 2rf9 n THR 686 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2rf9 n GLU 687 N 0.00 2.73 -3.65 -0.78 1.02 -0.91 -4.83 120.64 114.22 2rf9 n GLU 687 Ca 0.00 -2.70 -0.02 0.00 -0.02 0.00 0.00 57.16 54.42 2rf9 n GLU 687 Cb 0.18 -2.08 -0.07 0.00 -0.02 0.00 0.00 31.44 29.46 2rf9 n GLU 687 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 2rf9 s PHE 688 N -2.82 -0.08 -0.07 -0.32 -0.71 -1.23 -0.03 117.98 112.72 2rf9 s PHE 688 Ca 0.50 0.17 0.04 0.00 -1.04 0.00 0.00 56.93 56.60 2rf9 s PHE 688 Cb 0.41 0.37 -0.02 0.00 -1.21 0.00 0.00 43.02 42.57 2rf9 s PHE 688 CO 0.11 -0.04 -0.19 0.15 -1.34 0.00 0.00 175.22 173.91 2rf9 s LYS 689 N 0.30 2.68 -0.25 1.99 1.02 -0.47 -4.88 119.74 120.13 2rf9 s LYS 689 Ca 0.03 -0.79 -0.28 0.00 0.02 0.00 0.00 55.97 54.95 2rf9 s LYS 689 Cb -0.04 -2.32 0.01 0.00 -0.52 0.00 0.00 37.83 34.95 2rf9 s LYS 689 CO -0.14 0.44 1.02 0.15 -0.92 0.00 0.00 175.35 175.90 2rf9 s LYS 690 N -0.27 4.20 0.00 1.68 1.02 -1.26 -1.92 119.74 123.19 2rf9 s LYS 690 Ca 0.01 1.24 0.00 0.00 0.02 0.00 0.00 55.97 57.23 2rf9 s LYS 690 Cb -0.13 -3.67 0.00 0.00 -0.52 0.00 0.00 37.83 33.52 2rf9 s LYS 690 CO 0.03 -0.69 0.00 -0.89 -0.92 0.00 0.00 175.35 172.88 2rf9 n ILE 691 N 5.45 0.00 -4.09 2.17 5.41 -1.26 -4.95 119.36 122.10 2rf9 n ILE 691 Ca 0.11 0.00 -0.22 0.00 1.00 0.00 0.00 62.75 63.64 2rf9 n ILE 691 Cb 0.46 -0.35 -0.04 0.00 -0.71 0.00 0.00 39.64 39.01 2rf9 n ILE 691 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 2rf9 s LYS 692 N 0.14 3.02 -0.53 0.38 1.02 -1.26 -4.99 119.74 117.52 2rf9 s LYS 692 Ca 0.00 -1.00 -0.22 0.00 0.02 0.00 0.00 55.97 54.77 2rf9 s LYS 692 Cb 0.00 -2.62 0.05 0.00 -0.52 0.00 0.00 37.83 34.73 2rf9 s LYS 692 CO 0.00 0.41 0.83 0.08 -0.92 0.00 0.00 175.35 175.75 2rf9 s VAL 693 N -2.10 4.56 0.19 3.17 1.01 -1.26 -2.79 120.40 123.18 2rf9 s VAL 693 Ca 0.33 0.02 -0.10 0.00 0.00 0.00 0.00 61.98 62.22 2rf9 s VAL 693 Cb -0.08 -4.45 0.11 0.00 0.00 0.00 0.00 36.38 31.96 2rf9 s VAL 693 CO 0.26 -1.00 1.76 0.17 0.00 0.00 0.00 175.10 176.29 2rf9 h LEU 694 N 10.51 0.91 0.00 3.92 -0.00 -1.74 -3.47 115.31 125.44 2rf9 h LEU 694 Ca -0.27 -0.16 0.00 0.00 -0.00 0.00 0.00 57.88 57.46 2rf9 h LEU 694 Cb 1.08 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 41.51 2rf9 h LEU 694 CO 1.04 0.82 0.00 0.61 -0.00 0.00 0.00 178.44 180.91 2rf9 n GLY 695 N -0.88 0.86 3.16 0.17 0.00 -0.85 -5.02 105.19 102.63 2rf9 n GLY 695 Ca 0.05 -0.52 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 2rf9 n GLY 695 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rf9 s SER 696 N 0.00 2.87 0.00 1.61 1.04 -1.26 0.16 113.70 118.12 2rf9 s SER 696 Ca 0.00 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.90 2rf9 s SER 696 Cb 0.00 -1.32 0.00 0.00 0.10 0.00 0.00 66.02 64.80 2rf9 s SER 696 CO 0.00 0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.93 2rf9 n GLY 697 N 3.81 3.00 0.07 7.32 0.00 0.71 -4.92 105.19 115.18 2rf9 n GLY 697 Ca -0.20 -2.14 -0.13 0.00 0.00 0.00 0.00 46.02 43.55 2rf9 n GLY 697 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rf9 h ALA 698 N 0.56 -0.05 -0.85 4.61 0.00 -2.02 -3.25 119.26 118.27 2rf9 h ALA 698 Ca 0.00 -0.24 -0.76 0.00 0.00 0.00 0.00 54.91 53.90 2rf9 h ALA 698 Cb 0.00 0.02 -0.17 0.00 0.00 0.00 0.00 17.79 17.64 2rf9 h ALA 698 CO 0.00 -0.27 1.97 1.97 0.00 0.00 0.00 179.25 182.92 2rf9 n PHE 699 N -4.87 2.65 0.00 0.00 1.16 -1.26 -4.78 117.46 110.36 2rf9 n PHE 699 Ca -0.09 -2.74 0.00 0.00 -1.87 0.00 0.00 57.45 52.76 2rf9 n PHE 699 Cb 0.26 -1.63 0.00 0.00 -1.61 0.00 0.00 39.48 36.49 2rf9 n PHE 699 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2rf9 n GLY 700 N 1.18 2.85 3.14 4.97 0.00 -1.23 -4.31 105.19 111.80 2rf9 n GLY 700 Ca 0.57 -1.94 -0.38 0.00 0.00 0.00 0.00 46.02 44.27 2rf9 n GLY 700 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rf9 s THR 701 N -2.95 3.94 0.51 2.61 2.01 -1.24 0.25 115.64 120.78 2rf9 s THR 701 Ca 0.00 -2.60 -0.20 0.00 0.31 0.00 0.00 61.69 59.21 2rf9 s THR 701 Cb 0.00 -3.57 -0.07 0.00 0.01 0.00 0.00 72.50 68.86 2rf9 s THR 701 CO 0.00 -0.85 1.05 -0.69 -0.69 0.00 0.00 174.62 173.44 2rf9 s VAL 702 N 0.35 3.70 0.00 3.82 1.01 0.12 -4.19 120.40 125.21 2rf9 s VAL 702 Ca 0.14 1.02 0.00 0.00 0.00 0.00 0.00 61.98 63.14 2rf9 s VAL 702 Cb -0.20 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.76 2rf9 s VAL 702 CO -0.04 -0.26 0.00 -1.22 0.00 0.00 0.00 175.10 173.58 2rf9 n TYR 703 N -1.16 0.00 -2.95 5.22 4.02 0.52 -2.01 117.16 120.80 2rf9 n TYR 703 Ca 0.10 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.97 2rf9 n TYR 703 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 2rf9 n TYR 703 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 176.86 174.26 2rf9 s LYS 704 N 1.71 0.96 0.00 -0.72 0.00 -1.12 -3.19 119.74 117.37 2rf9 s LYS 704 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 55.97 55.25 2rf9 s LYS 704 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 37.83 37.84 2rf9 s LYS 704 CO 0.00 -1.26 0.00 0.41 0.00 0.00 0.00 175.35 174.50 2rf9 n GLY 705 N 3.56 3.18 2.74 0.59 0.00 -0.65 -4.00 105.19 110.60 2rf9 n GLY 705 Ca 0.15 -1.80 -0.18 0.00 0.00 0.00 0.00 46.02 44.19 2rf9 n GLY 705 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rf9 s LEU 706 N 0.00 0.67 -0.37 0.99 1.02 -0.81 -2.29 118.68 117.89 2rf9 s LEU 706 Ca 0.00 0.04 -0.18 0.00 0.02 0.00 0.00 54.13 54.01 2rf9 s LEU 706 Cb 0.00 -0.14 0.00 0.00 0.02 0.00 0.00 46.19 46.07 2rf9 s LEU 706 CO 0.00 -0.18 0.50 0.86 0.02 0.00 0.00 176.35 177.55 2rf9 s TRP 707 N 1.58 3.17 -0.71 0.29 -0.00 0.51 -1.37 118.94 122.40 2rf9 s TRP 707 Ca -0.02 0.03 -0.13 0.00 -0.00 0.00 0.00 56.10 55.98 2rf9 s TRP 707 Cb -0.13 -2.94 0.18 0.00 -0.00 0.00 0.00 33.47 30.59 2rf9 s TRP 707 CO -0.03 -0.59 0.64 -1.50 -0.00 0.00 0.00 176.95 175.47 2rf9 s ILE 708 N 2.36 5.27 -0.75 5.86 2.07 0.95 -1.17 121.20 135.79 2rf9 s ILE 708 Ca 0.17 -2.20 -0.28 0.00 -1.41 0.00 0.00 60.65 56.93 2rf9 s ILE 708 Cb -0.16 -4.31 -0.15 0.00 0.13 0.00 0.00 42.46 37.98 2rf9 s ILE 708 CO 0.14 -0.96 2.55 -2.65 -1.91 0.00 0.00 174.94 172.11 2rf9 n PRO 709 N 4.34 0.51 0.00 3.50 -0.02 -1.25 -4.49 135.00 137.58 2rf9 n PRO 709 Ca 0.04 -0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 2rf9 n PRO 709 Cb 0.44 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 2rf9 n PRO 709 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2rf9 n GLU 710 N 8.70 0.00 0.00 -0.52 0.00 -1.26 -0.88 120.64 126.67 2rf9 n GLU 710 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.68 2rf9 n GLU 710 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.73 2rf9 n GLU 710 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2rf9 n GLY 711 N 0.00 2.30 0.20 -1.84 0.00 -1.26 -4.90 105.19 99.69 2rf9 n GLY 711 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 2rf9 n GLY 711 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2rf9 n GLU 712 N 0.00 0.00 0.00 1.61 -0.58 -0.06 -4.51 120.64 117.10 2rf9 n GLU 712 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2rf9 n GLU 712 Cb 0.00 -0.06 0.00 0.00 -0.57 0.00 0.00 31.44 30.81 2rf9 n GLU 712 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 2rf9 n LYS 713 N 0.33 0.00 -2.76 3.49 2.85 -1.26 -4.36 118.16 116.45 2rf9 n LYS 713 Ca 0.04 0.01 -0.42 0.00 -1.05 0.00 0.00 58.31 56.89 2rf9 n LYS 713 Cb 0.01 -1.55 -0.03 0.00 -0.65 0.00 0.00 35.03 32.81 2rf9 n LYS 713 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2rf9 s VAL 714 N -1.35 4.81 -0.08 0.58 0.11 -1.26 -5.05 120.40 118.15 2rf9 s VAL 714 Ca 0.00 1.90 -0.06 0.00 -2.93 0.00 0.00 61.98 60.89 2rf9 s VAL 714 Cb 0.00 -4.25 -0.04 0.00 -1.53 0.00 0.00 36.38 30.56 2rf9 s VAL 714 CO 0.00 -0.01 0.16 -0.54 -3.33 0.00 0.00 175.10 171.38 2rf9 s LYS 715 N 2.20 3.44 -0.03 1.54 3.01 -1.26 -3.90 119.74 124.74 2rf9 s LYS 715 Ca 0.44 -0.19 0.01 0.00 -1.01 0.00 0.00 55.97 55.23 2rf9 s LYS 715 Cb -0.17 -3.16 0.01 0.00 -1.01 0.00 0.00 37.83 33.50 2rf9 s LYS 715 CO 0.14 0.74 -0.05 0.42 0.51 0.00 0.00 175.35 177.12 2rf9 s ILE 716 N -1.13 0.48 -0.24 2.17 1.01 -0.32 -5.00 121.20 118.18 2rf9 s ILE 716 Ca 0.19 -0.16 -0.13 0.00 0.00 0.00 0.00 60.65 60.55 2rf9 s ILE 716 Cb -0.12 -0.47 -0.04 0.00 0.01 0.00 0.00 42.46 41.83 2rf9 s ILE 716 CO 0.09 0.18 0.29 -2.84 0.00 0.00 0.00 174.94 172.66 2rf9 s PRO 717 N 0.49 4.08 0.20 2.79 0.02 -1.26 0.19 135.00 141.50 2rf9 s PRO 717 Ca -0.06 -0.06 0.00 0.00 0.02 0.00 0.00 61.00 60.91 2rf9 s PRO 717 Cb -0.10 -3.58 -0.00 0.00 0.02 0.00 0.00 34.50 30.84 2rf9 s PRO 717 CO -0.00 -0.08 0.25 1.33 -0.33 0.00 0.00 177.00 178.18 2rf9 n VAL 718 N 4.59 0.00 -4.16 3.83 0.24 -0.97 -4.25 118.33 117.61 2rf9 n VAL 718 Ca -0.11 -1.13 -0.32 0.00 -2.04 0.00 0.00 64.34 60.74 2rf9 n VAL 718 Cb 0.51 0.66 -0.16 0.00 -1.47 0.00 0.00 33.84 33.38 2rf9 n VAL 718 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2rf9 s ALA 719 N -2.41 2.13 0.22 2.33 0.00 -1.25 -1.64 121.76 121.15 2rf9 s ALA 719 Ca 0.19 -1.08 -0.30 0.00 0.00 0.00 0.00 51.96 50.77 2rf9 s ALA 719 Cb -0.00 -1.10 -0.08 0.00 0.00 0.00 0.00 23.12 21.93 2rf9 s ALA 719 CO 0.13 -0.31 0.98 0.42 0.00 0.00 0.00 175.76 176.98 2rf9 s ILE 720 N 1.29 4.03 -0.65 0.00 1.01 -1.19 -4.04 121.20 121.65 2rf9 s ILE 720 Ca 0.03 1.95 0.02 0.00 0.00 0.00 0.00 60.65 62.66 2rf9 s ILE 720 Cb -0.13 -4.24 0.16 0.00 0.01 0.00 0.00 42.46 38.25 2rf9 s ILE 720 CO -0.11 0.43 0.44 -0.54 0.00 0.00 0.00 174.94 175.15 2rf9 s LYS 721 N -0.94 2.41 -1.39 2.79 1.02 0.14 -0.35 119.74 123.42 2rf9 s LYS 721 Ca 0.43 -2.93 -0.08 0.00 0.02 0.00 0.00 55.97 53.41 2rf9 s LYS 721 Cb -0.27 -3.51 0.08 0.00 -0.52 0.00 0.00 37.83 33.61 2rf9 s LYS 721 CO 0.33 -1.20 2.37 -1.91 -0.92 0.00 0.00 175.35 174.03 2rf9 n GLU 722 N 2.70 4.02 -0.69 1.68 2.13 -1.26 -1.01 120.64 128.21 2rf9 n GLU 722 Ca 0.12 -3.13 -0.29 0.00 0.66 0.00 0.00 57.16 54.52 2rf9 n GLU 722 Cb 0.35 -2.80 0.23 0.00 0.27 0.00 0.00 31.44 29.49 2rf9 n GLU 722 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 2rf9 s LEU 723 N -0.79 1.23 -0.06 4.31 2.34 -1.13 -3.66 118.68 120.93 2rf9 s LEU 723 Ca 0.53 1.54 -0.02 0.00 0.06 0.00 0.00 54.13 56.24 2rf9 s LEU 723 Cb 0.16 -3.57 0.04 0.00 -0.56 0.00 0.00 46.19 42.26 2rf9 s LEU 723 CO -0.06 -3.85 0.11 0.00 -1.06 0.00 0.00 176.35 171.49 2rf9 s ARG 724 N -4.58 0.02 0.00 1.48 1.70 -1.26 -4.32 118.95 111.98 2rf9 s ARG 724 Ca 0.67 0.40 0.00 0.00 -0.47 0.00 0.00 55.73 56.34 2rf9 s ARG 724 Cb -0.23 -0.28 0.00 0.00 -0.57 0.00 0.00 34.95 33.87 2rf9 s ARG 724 CO 0.62 -0.24 0.00 0.39 -1.08 0.00 0.00 175.30 174.99 2rf9 n GLU 725 N 4.76 0.00 -0.23 3.89 -0.58 -1.26 -4.67 120.64 122.55 2rf9 n GLU 725 Ca -0.16 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.58 2rf9 n GLU 725 Cb 0.50 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.37 2rf9 n GLU 725 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 2rf9 n PRO 729 N 0.00 2.76 0.00 3.49 -0.01 -1.26 -5.02 135.00 134.96 2rf9 n PRO 729 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.49 2rf9 n PRO 729 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 33.50 33.49 2rf9 n PRO 729 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 175.50 175.85 2rf9 n LYS 730 N -0.17 0.00 0.00 -0.52 0.00 -1.26 -1.47 118.16 114.74 2rf9 n LYS 730 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.40 2rf9 n LYS 730 Cb 0.00 -0.92 0.51 0.00 -0.00 0.00 0.00 35.03 34.61 2rf9 n LYS 730 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2rf9 n ALA 731 N 0.24 2.25 0.53 0.58 0.00 -1.26 -0.76 120.51 122.10 2rf9 n ALA 731 Ca 0.00 -0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.45 2rf9 n ALA 731 Cb 0.00 -1.28 0.13 0.00 0.00 0.00 0.00 19.45 18.31 2rf9 n ALA 731 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2rf9 h ASN 732 N 0.00 0.00 -0.99 0.00 2.35 -1.69 -3.29 115.58 111.96 2rf9 h ASN 732 Ca 0.00 -0.22 0.11 0.00 -0.55 0.00 0.00 56.30 55.64 2rf9 h ASN 732 Cb 0.00 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.29 2rf9 h ASN 732 CO 0.00 0.11 0.63 0.50 -1.65 0.00 0.00 177.43 177.02 2rf9 h LYS 733 N 0.00 0.99 0.00 0.81 1.63 -1.22 0.48 116.57 119.26 2rf9 h LYS 733 Ca 0.00 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 2rf9 h LYS 733 Cb 0.77 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 32.17 2rf9 h LYS 733 CO 0.00 0.65 0.00 0.39 -3.45 0.00 0.00 179.45 177.04 2rf9 n GLU 734 N -4.59 0.00 -0.13 1.90 1.02 -1.24 0.18 120.64 117.78 2rf9 n GLU 734 Ca 0.18 0.47 -0.02 0.00 -0.02 0.00 0.00 57.16 57.77 2rf9 n GLU 734 Cb 0.32 -1.25 -0.01 0.00 -0.02 0.00 0.00 31.44 30.48 2rf9 n GLU 734 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2rf9 n ILE 735 N -1.92 -0.20 0.07 -3.67 2.08 -1.02 0.34 119.36 115.03 2rf9 n ILE 735 Ca 0.00 0.80 -0.13 0.00 0.56 0.00 0.00 62.75 63.98 2rf9 n ILE 735 Cb 0.00 -1.02 -0.07 0.00 -0.75 0.00 0.00 39.64 37.80 2rf9 n ILE 735 CO 0.00 0.00 0.00 0.25 0.56 0.00 0.00 176.55 177.36 2rf9 h LEU 736 N 0.00 -0.08 -1.25 1.39 5.85 -0.05 0.11 115.31 121.28 2rf9 h LEU 736 Ca 0.08 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 2rf9 h LEU 736 Cb 0.17 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2rf9 h LEU 736 CO -0.32 -0.01 -0.31 0.44 -0.34 0.00 0.00 178.44 177.89 2rf9 h ASP 737 N -0.15 0.00 0.64 1.25 5.19 0.75 0.31 116.42 124.41 2rf9 h ASP 737 Ca -0.01 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.37 2rf9 h ASP 737 Cb 0.12 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.64 2rf9 h ASP 737 CO 0.02 0.31 -0.31 -0.33 -3.12 0.00 0.00 179.24 175.81 2rf9 h GLU 738 N 0.00 -0.83 -0.85 3.56 3.07 0.61 -3.03 114.58 117.11 2rf9 h GLU 738 Ca -0.00 0.06 0.05 0.00 -0.50 0.00 0.00 59.36 58.96 2rf9 h GLU 738 Cb 0.70 0.19 -0.05 0.00 -0.84 0.00 0.00 28.75 28.75 2rf9 h GLU 738 CO 0.04 -0.55 0.56 0.00 -1.40 0.00 0.00 179.01 177.65 2rf9 h ALA 739 N -1.35 1.52 -1.26 3.43 0.00 -0.69 0.59 119.26 121.52 2rf9 h ALA 739 Ca -0.09 -0.03 0.38 0.00 0.00 0.00 0.00 54.91 55.17 2rf9 h ALA 739 Cb 0.66 -0.27 -0.10 0.00 0.00 0.00 0.00 17.79 18.08 2rf9 h ALA 739 CO 0.14 0.37 0.84 0.10 0.00 0.00 0.00 179.25 180.70 2rf9 h TYR 740 N 1.00 0.45 0.00 0.00 -0.00 -0.25 0.50 116.97 118.67 2rf9 h TYR 740 Ca 0.35 0.02 -0.30 0.00 -0.00 0.00 0.00 58.73 58.80 2rf9 h TYR 740 Cb 0.13 -0.12 -0.06 0.00 -0.00 0.00 0.00 36.73 36.68 2rf9 h TYR 740 CO -0.00 -0.07 -2.13 1.33 -0.00 0.00 0.00 178.16 177.28 2rf9 n VAL 741 N -4.54 1.14 0.00 -0.90 0.24 -0.94 -4.03 118.33 109.29 2rf9 n VAL 741 Ca 0.32 -0.56 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 2rf9 n VAL 741 Cb 1.27 -0.91 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 2rf9 n VAL 741 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 2rf9 n MET 742 N -2.85 0.00 -0.01 7.34 0.00 0.20 0.23 117.12 122.03 2rf9 n MET 742 Ca -0.31 0.05 -0.01 0.00 0.00 0.00 0.00 57.70 57.43 2rf9 n MET 742 Cb 0.95 -1.52 -0.02 0.00 0.00 0.00 0.00 33.22 32.64 2rf9 n MET 742 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2rf9 n ALA 743 N -0.94 1.97 -0.13 -5.12 0.00 0.59 -0.40 120.51 116.48 2rf9 n ALA 743 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2rf9 n ALA 743 Cb 0.02 0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.64 2rf9 n ALA 743 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2rf9 n SER 744 N -2.01 1.99 -4.80 0.00 2.88 0.63 -4.70 113.62 107.62 2rf9 n SER 744 Ca -0.03 -1.47 -0.37 0.00 -1.33 0.00 0.00 58.87 55.68 2rf9 n SER 744 Cb 0.50 -0.41 -0.07 0.00 -0.75 0.00 0.00 64.21 63.48 2rf9 n SER 744 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2rf9 s VAL 745 N 1.15 5.31 -0.29 2.46 -7.23 -1.24 -4.97 120.40 115.59 2rf9 s VAL 745 Ca 0.00 0.48 0.20 0.00 -1.81 0.00 0.00 61.98 60.85 2rf9 s VAL 745 Cb 0.00 -3.57 0.48 0.00 0.56 0.00 0.00 36.38 33.86 2rf9 s VAL 745 CO 0.00 0.50 1.04 -0.67 -0.31 0.00 0.00 175.10 175.66 2rf9 n ASP 746 N 2.70 1.65 -4.22 4.85 2.03 -1.26 -4.98 116.55 117.31 2rf9 n ASP 746 Ca -0.15 -2.40 -0.26 0.00 0.52 0.00 0.00 54.79 52.50 2rf9 n ASP 746 Cb 0.53 -0.50 -0.15 0.00 -0.72 0.00 0.00 41.12 40.28 2rf9 n ASP 746 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2rf9 s ASN 747 N -3.49 2.39 -0.01 1.67 3.84 -1.26 -5.03 114.94 113.05 2rf9 s ASN 747 Ca 0.28 -0.41 0.00 0.00 0.21 0.00 0.00 52.86 52.94 2rf9 s ASN 747 Cb 0.39 -0.25 0.01 0.00 -0.55 0.00 0.00 41.25 40.85 2rf9 s ASN 747 CO -0.01 0.22 0.71 -0.81 -2.79 0.00 0.00 177.10 174.42 2rf9 n PRO 748 N 2.39 1.06 -1.42 0.43 -0.04 -1.26 -3.84 135.00 132.32 2rf9 n PRO 748 Ca -0.16 -0.06 0.02 0.00 -0.04 0.00 0.00 63.50 63.27 2rf9 n PRO 748 Cb 0.53 -1.33 0.01 0.00 -0.04 0.00 0.00 33.50 32.66 2rf9 n PRO 748 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2rf9 n HIS 749 N 0.18 0.00 -3.26 0.54 8.25 -1.26 -4.74 115.22 114.93 2rf9 n HIS 749 Ca 0.01 -0.49 -0.05 0.00 -0.26 0.00 0.00 57.72 56.92 2rf9 n HIS 749 Cb 0.36 -0.05 -0.04 0.00 1.12 0.00 0.00 29.99 31.38 2rf9 n HIS 749 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2rf9 s VAL 750 N 0.00 -0.74 0.00 1.59 1.01 -1.25 -2.36 120.40 118.65 2rf9 s VAL 750 Ca 0.29 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.04 2rf9 s VAL 750 Cb 0.33 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.76 2rf9 s VAL 750 CO -0.14 -0.21 0.77 0.00 0.00 0.00 0.00 175.10 175.52 2rf9 n ARG 752 N 3.68 0.00 -2.41 0.00 1.74 -1.26 -4.73 116.66 113.67 2rf9 n ARG 752 Ca 0.00 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 2rf9 n ARG 752 Cb 0.39 -1.02 -0.02 0.00 -1.02 0.00 0.00 32.46 30.78 2rf9 n ARG 752 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2rf9 s LEU 753 N 0.78 3.78 0.02 0.55 2.96 0.46 -4.42 118.68 122.81 2rf9 s LEU 753 Ca 0.63 1.05 -0.14 0.00 -0.22 0.00 0.00 54.13 55.44 2rf9 s LEU 753 Cb -0.89 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.18 2rf9 s LEU 753 CO 0.43 -1.19 1.10 0.17 -1.32 0.00 0.00 176.35 175.54 2rf9 h LEU 754 N 11.28 -0.44 0.00 -0.68 -0.00 -1.60 -3.41 115.31 120.45 2rf9 h LEU 754 Ca -0.26 0.02 -0.06 0.00 -0.00 0.00 0.00 57.88 57.57 2rf9 h LEU 754 Cb 1.10 0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 41.86 2rf9 h LEU 754 CO 1.05 -0.29 -0.03 0.61 -0.00 0.00 0.00 178.44 179.78 2rf9 n GLY 755 N -0.90 2.88 3.02 0.17 0.00 -1.01 -4.49 105.19 104.85 2rf9 n GLY 755 Ca -0.06 -1.42 -0.10 0.00 0.00 0.00 0.00 46.02 44.44 2rf9 n GLY 755 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2rf9 s ILE 756 N -2.53 0.10 -0.14 -0.61 2.07 -0.39 -1.39 121.20 118.32 2rf9 s ILE 756 Ca 0.07 -0.87 0.02 0.00 -1.41 0.00 0.00 60.65 58.46 2rf9 s ILE 756 Cb -0.00 -0.33 0.01 0.00 0.13 0.00 0.00 42.46 42.26 2rf9 s ILE 756 CO 0.05 -0.48 -0.21 0.00 -1.91 0.00 0.00 174.94 172.40 2rf9 s LEU 758 N 0.81 3.61 0.00 0.00 1.43 -1.26 -0.88 118.68 122.38 2rf9 s LEU 758 Ca -0.07 -2.26 0.00 0.00 -1.03 0.00 0.00 54.13 50.78 2rf9 s LEU 758 Cb -0.16 -1.31 0.00 0.00 0.03 0.00 0.00 46.19 44.75 2rf9 s LEU 758 CO -0.01 -0.34 0.00 0.35 0.23 0.00 0.00 176.35 176.57 2rf9 n THR 759 N 4.08 0.00 -0.29 5.49 -2.24 -1.26 -4.92 114.28 115.13 2rf9 n THR 759 Ca 0.03 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.82 2rf9 n THR 759 Cb 0.39 0.00 0.24 0.00 -2.10 0.00 0.00 70.33 68.86 2rf9 n THR 759 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2rf9 n SER 760 N 0.00 4.04 -3.23 3.42 7.64 -1.26 -4.68 113.62 119.55 2rf9 n SER 760 Ca 0.00 -2.70 0.04 0.00 1.01 0.00 0.00 58.87 57.22 2rf9 n SER 760 Cb 0.00 -0.64 -0.03 0.00 -1.01 0.00 0.00 64.21 62.53 2rf9 n SER 760 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2rf9 s THR 761 N -2.17 -0.43 0.54 0.44 -4.23 -1.26 -5.09 115.64 103.43 2rf9 s THR 761 Ca 0.36 0.00 -0.22 0.00 -1.18 0.00 0.00 61.69 60.66 2rf9 s THR 761 Cb 0.28 -1.00 -0.06 0.00 1.34 0.00 0.00 72.50 73.07 2rf9 s THR 761 CO 0.10 0.00 1.30 0.55 -0.54 0.00 0.00 174.62 176.03 2rf9 n VAL 762 N 5.25 3.64 -3.75 2.29 3.14 -1.26 -4.75 118.33 122.90 2rf9 n VAL 762 Ca -0.07 -0.50 -0.14 0.00 -2.96 0.00 0.00 64.34 60.67 2rf9 n VAL 762 Cb 0.53 -1.58 -0.09 0.00 -1.06 0.00 0.00 33.84 31.64 2rf9 n VAL 762 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 2rf9 s GLN 763 N -2.77 0.66 0.10 1.45 -0.21 -0.06 -2.85 119.66 115.98 2rf9 s GLN 763 Ca 0.71 -0.10 0.06 0.00 0.02 0.00 0.00 55.36 56.05 2rf9 s GLN 763 Cb -0.43 0.30 -0.03 0.00 1.00 0.00 0.00 33.01 33.84 2rf9 s GLN 763 CO 0.50 -0.18 -0.15 -0.51 -2.12 0.00 0.00 175.29 172.84 2rf9 s LEU 764 N -1.16 2.34 0.09 2.90 1.43 -0.18 -0.28 118.68 123.82 2rf9 s LEU 764 Ca -0.12 -0.71 0.08 0.00 -1.03 0.00 0.00 54.13 52.35 2rf9 s LEU 764 Cb -0.05 -0.56 -0.03 0.00 0.03 0.00 0.00 46.19 45.58 2rf9 s LEU 764 CO 0.04 -0.10 -0.21 -0.63 0.23 0.00 0.00 176.35 175.68 2rf9 s ILE 765 N -1.67 1.71 -0.03 -0.59 -1.09 -0.49 0.25 121.20 119.29 2rf9 s ILE 765 Ca 0.04 -1.44 -0.27 0.00 -2.23 0.00 0.00 60.65 56.75 2rf9 s ILE 765 Cb -0.08 -1.54 0.06 0.00 -1.58 0.00 0.00 42.46 39.33 2rf9 s ILE 765 CO 0.03 0.02 0.58 0.42 -1.23 0.00 0.00 174.94 174.76 2rf9 s THR 766 N -1.05 0.02 -0.71 2.92 -4.23 -1.26 -1.64 115.64 109.69 2rf9 s THR 766 Ca 0.07 -0.13 -0.25 0.00 -1.18 0.00 0.00 61.69 60.20 2rf9 s THR 766 Cb -0.10 -0.91 -0.14 0.00 1.34 0.00 0.00 72.50 72.70 2rf9 s THR 766 CO 0.04 -0.07 2.43 1.67 -0.54 0.00 0.00 174.62 178.15 2rf9 n GLN 767 N 0.95 0.64 -1.51 3.99 7.27 -1.26 -3.85 117.38 123.61 2rf9 n GLN 767 Ca -0.20 -0.28 -0.44 0.00 0.07 0.00 0.00 57.00 56.16 2rf9 n GLN 767 Cb 0.57 -3.01 -0.01 0.00 2.41 0.00 0.00 30.24 30.20 2rf9 n GLN 767 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 2rf9 n LEU 768 N 15.06 0.63 -4.63 1.69 7.94 -1.26 -5.00 117.00 131.44 2rf9 n LEU 768 Ca 0.47 1.07 -0.25 0.00 -1.11 0.00 0.00 56.01 56.19 2rf9 n LEU 768 Cb 0.40 -1.17 -0.08 0.00 0.53 0.00 0.00 43.42 43.10 2rf9 n LEU 768 CO 0.73 -2.22 -0.35 -0.04 -1.11 0.00 0.00 177.39 174.39 2rf9 s MET 769 N -1.48 2.25 -0.13 1.96 -1.94 -1.26 -5.01 119.30 113.68 2rf9 s MET 769 Ca 0.61 -1.31 -0.10 0.00 -1.71 0.00 0.00 55.69 53.19 2rf9 s MET 769 Cb -0.70 -2.20 -0.03 0.00 2.01 0.00 0.00 34.83 33.90 2rf9 s MET 769 CO 0.58 0.40 -0.19 -0.35 -0.01 0.00 0.00 175.02 175.46 2rf9 n PRO 770 N -0.46 0.42 -0.12 2.03 -0.04 -1.26 -4.60 135.00 130.97 2rf9 n PRO 770 Ca -0.08 0.45 -0.13 0.00 -0.04 0.00 0.00 63.50 63.70 2rf9 n PRO 770 Cb 0.57 -1.56 -0.09 0.00 -0.04 0.00 0.00 33.50 32.38 2rf9 n PRO 770 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2rf9 h PHE 771 N -0.91 -1.58 0.00 0.54 -1.00 -1.93 -3.48 116.94 108.58 2rf9 h PHE 771 Ca 0.00 0.08 0.00 0.00 2.81 0.00 0.00 57.97 60.86 2rf9 h PHE 771 Cb 0.54 0.74 0.00 0.00 3.61 0.00 0.00 35.95 40.83 2rf9 h PHE 771 CO -0.23 -0.46 0.00 0.41 -1.61 0.00 0.00 178.31 176.42 2rf9 n GLY 772 N -1.35 0.36 3.72 -1.45 0.00 -1.26 -4.90 105.19 100.31 2rf9 n GLY 772 Ca -0.03 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 2rf9 n GLY 772 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rf9 h LEU 774 N 6.39 0.00 -0.01 0.00 5.85 -1.00 0.40 115.31 126.94 2rf9 h LEU 774 Ca -0.42 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.27 2rf9 h LEU 774 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 2rf9 h LEU 774 CO 0.81 0.00 -0.10 0.25 -0.34 0.00 0.00 178.44 179.06 2rf9 h LEU 775 N 0.00 0.11 -0.50 2.25 5.85 -1.85 -2.24 115.31 118.92 2rf9 h LEU 775 Ca 0.00 -0.71 0.08 0.00 0.84 0.00 0.00 57.88 58.09 2rf9 h LEU 775 Cb 0.88 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.81 2rf9 h LEU 775 CO 0.00 0.80 0.11 0.44 -0.34 0.00 0.00 178.44 179.46 2rf9 h ASP 776 N -0.58 0.03 0.01 1.25 3.32 -1.28 -2.23 116.42 116.94 2rf9 h ASP 776 Ca -0.01 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2rf9 h ASP 776 Cb 0.81 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 2rf9 h ASP 776 CO 0.02 0.04 -0.09 0.22 -1.72 0.00 0.00 179.24 177.72 2rf9 h TYR 777 N 0.26 -0.26 0.00 4.55 3.20 -1.45 -0.17 116.97 123.09 2rf9 h TYR 777 Ca 0.25 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.13 2rf9 h TYR 777 Cb 0.33 0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.71 2rf9 h TYR 777 CO -0.22 -0.10 0.00 1.33 -1.64 0.00 0.00 178.16 177.54 2rf9 n VAL 778 N -2.98 0.41 0.01 1.81 0.24 -0.85 0.16 118.33 117.13 2rf9 n VAL 778 Ca -0.01 0.10 0.09 0.00 -2.04 0.00 0.00 64.34 62.48 2rf9 n VAL 778 Cb 0.07 -1.05 -0.13 0.00 -1.47 0.00 0.00 33.84 31.25 2rf9 n VAL 778 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2rf9 n ARG 779 N -1.11 0.65 -0.00 7.34 1.74 -0.23 -2.73 116.66 122.32 2rf9 n ARG 779 Ca 0.02 -0.11 0.10 0.00 -0.77 0.00 0.00 57.85 57.09 2rf9 n ARG 779 Cb 0.02 -1.59 -0.12 0.00 -1.02 0.00 0.00 32.46 29.74 2rf9 n ARG 779 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2rf9 n GLU 780 N -2.40 0.11 -1.12 5.56 1.02 0.12 -4.55 120.64 119.39 2rf9 n GLU 780 Ca -0.06 -0.01 0.04 0.00 -0.02 0.00 0.00 57.16 57.11 2rf9 n GLU 780 Cb 0.63 -1.49 0.07 0.00 -0.02 0.00 0.00 31.44 30.63 2rf9 n GLU 780 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2rf9 n HIS 781 N -1.55 0.00 -0.02 -0.32 8.25 -0.13 -4.89 115.22 116.56 2rf9 n HIS 781 Ca 0.03 -0.75 -0.12 0.00 -0.26 0.00 0.00 57.72 56.63 2rf9 n HIS 781 Cb 0.34 -0.17 -0.06 0.00 1.12 0.00 0.00 29.99 31.23 2rf9 n HIS 781 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2rf9 h LYS 782 N 0.87 -0.45 -1.95 -0.41 1.57 -1.75 -0.03 116.57 114.42 2rf9 h LYS 782 Ca -0.14 0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.51 2rf9 h LYS 782 Cb 1.58 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 33.93 2rf9 h LYS 782 CO 0.06 -0.30 -0.09 -0.40 -0.57 0.00 0.00 179.45 178.15 2rf9 n ASP 783 N -5.43 5.53 0.00 0.86 5.75 -1.26 -3.52 116.55 118.48 2rf9 n ASP 783 Ca -0.04 -2.59 0.00 0.00 -0.01 0.00 0.00 54.79 52.16 2rf9 n ASP 783 Cb 0.36 -1.26 0.00 0.00 -1.03 0.00 0.00 41.12 39.19 2rf9 n ASP 783 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2rf9 n ASN 784 N 1.75 0.00 -4.80 -1.12 4.13 -0.18 -5.03 115.26 110.01 2rf9 n ASN 784 Ca 0.26 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 56.16 2rf9 n ASN 784 Cb 0.69 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.87 2rf9 n ASN 784 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2rf9 s ILE 785 N -0.31 4.41 0.37 2.41 1.01 -0.32 -5.06 121.20 123.71 2rf9 s ILE 785 Ca 0.00 1.51 0.08 0.00 0.00 0.00 0.00 60.65 62.24 2rf9 s ILE 785 Cb 0.00 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 38.54 2rf9 s ILE 785 CO 0.00 0.14 0.32 -0.83 0.00 0.00 0.00 174.94 174.57 2rf9 s GLY 786 N -1.69 1.92 0.19 6.18 0.00 -1.26 -4.93 107.32 107.72 2rf9 s GLY 786 Ca 0.47 -1.74 -0.18 0.00 0.00 0.00 0.00 44.72 43.27 2rf9 s GLY 786 CO 0.22 -1.63 1.61 1.48 0.00 0.00 0.00 173.10 174.78 2rf9 h SER 787 N 1.17 -0.82 0.00 1.64 4.64 -1.93 -3.16 113.55 115.09 2rf9 h SER 787 Ca -0.43 0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2rf9 h SER 787 Cb 1.26 0.44 0.00 0.00 -0.31 0.00 0.00 62.40 63.79 2rf9 h SER 787 CO 0.58 -0.26 0.00 1.67 -0.87 0.00 0.00 176.83 177.95 2rf9 n GLN 788 N -5.42 0.00 -0.23 4.77 -0.06 -1.26 -0.53 117.38 114.65 2rf9 n GLN 788 Ca 0.04 0.04 -0.11 0.00 -2.00 0.00 0.00 57.00 54.97 2rf9 n GLN 788 Cb 0.33 -0.14 -0.07 0.00 -4.06 0.00 0.00 30.24 26.30 2rf9 n GLN 788 CO 0.00 0.00 0.00 1.88 -0.20 0.00 0.00 177.06 178.74 2rf9 h TYR 789 N 0.00 -1.58 -0.94 3.69 0.05 -1.89 -0.12 116.97 116.19 2rf9 h TYR 789 Ca 0.00 0.09 0.14 0.00 0.05 0.00 0.00 58.73 59.01 2rf9 h TYR 789 Cb 0.00 0.77 -0.15 0.00 1.01 0.00 0.00 36.73 38.36 2rf9 h TYR 789 CO 0.00 -0.44 -0.41 -0.07 -1.05 0.00 0.00 178.16 176.19 2rf9 h LEU 790 N -0.24 -1.50 -0.91 3.88 3.38 -1.11 1.23 115.31 120.04 2rf9 h LEU 790 Ca 0.14 0.30 -0.06 0.00 0.09 0.00 0.00 57.88 58.35 2rf9 h LEU 790 Cb 0.55 0.76 -0.02 0.00 0.09 0.00 0.00 40.66 42.03 2rf9 h LEU 790 CO -0.72 -0.29 0.10 -0.07 0.09 0.00 0.00 178.44 177.56 2rf9 h LEU 791 N -0.03 0.85 0.00 1.67 3.38 -0.10 -3.13 115.31 117.96 2rf9 h LEU 791 Ca 0.31 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2rf9 h LEU 791 Cb 0.57 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2rf9 h LEU 791 CO -0.94 0.86 0.00 0.59 0.09 0.00 0.00 178.44 179.04 2rf9 n ASN 792 N -4.24 0.00 -0.04 -0.43 3.02 0.38 -2.62 115.26 111.32 2rf9 n ASN 792 Ca 0.04 0.51 -0.01 0.00 -0.03 0.00 0.00 54.58 55.09 2rf9 n ASN 792 Cb 0.26 -0.01 -0.00 0.00 -0.61 0.00 0.00 39.78 39.42 2rf9 n ASN 792 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 2rf9 n TRP 793 N -0.62 -0.02 -0.38 3.10 8.01 0.15 0.38 117.44 128.06 2rf9 n TRP 793 Ca 0.00 0.13 -0.09 0.00 -1.31 0.00 0.00 57.50 56.23 2rf9 n TRP 793 Cb 0.00 -0.53 -0.08 0.00 -2.01 0.00 0.00 31.31 28.69 2rf9 n TRP 793 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2rf9 h VAL 795 N 0.00 1.14 0.25 0.00 2.07 0.74 0.67 116.25 121.12 2rf9 h VAL 795 Ca 0.17 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 2rf9 h VAL 795 Cb 0.40 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2rf9 h VAL 795 CO -0.87 0.15 -0.17 1.56 0.02 0.00 0.00 177.57 178.25 2rf9 h GLN 796 N 0.47 -0.39 -0.88 1.57 4.20 0.13 0.84 115.11 121.06 2rf9 h GLN 796 Ca 0.13 0.03 0.23 0.00 0.06 0.00 0.00 58.65 59.10 2rf9 h GLN 796 Cb 0.05 0.09 -0.16 0.00 0.30 0.00 0.00 27.48 27.75 2rf9 h GLN 796 CO -0.02 -0.26 -0.03 -0.89 -0.67 0.00 0.00 178.83 176.96 2rf9 n ILE 797 N -3.34 -0.37 -0.13 2.54 5.41 0.37 0.99 119.36 124.83 2rf9 n ILE 797 Ca -0.05 1.95 -0.09 0.00 1.00 0.00 0.00 62.75 65.56 2rf9 n ILE 797 Cb 0.17 -2.82 -0.01 0.00 -0.71 0.00 0.00 39.64 36.27 2rf9 n ILE 797 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2rf9 h ALA 798 N 1.76 0.50 -0.12 -1.39 0.00 -0.05 -1.04 119.26 118.91 2rf9 h ALA 798 Ca 0.51 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.33 2rf9 h ALA 798 Cb 1.01 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 2rf9 h ALA 798 CO -0.84 0.10 -0.33 0.87 0.00 0.00 0.00 179.25 179.05 2rf9 h LYS 799 N 0.47 -0.40 -0.27 0.00 1.57 0.77 -1.10 116.57 117.61 2rf9 h LYS 799 Ca 0.13 0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.99 2rf9 h LYS 799 Cb 0.19 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.54 2rf9 h LYS 799 CO -0.01 -0.26 -0.07 0.78 -0.57 0.00 0.00 179.45 179.32 2rf9 h GLY 800 N -0.41 0.20 1.92 3.86 0.00 -0.92 0.50 103.07 108.21 2rf9 h GLY 800 Ca 0.09 0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.52 2rf9 h GLY 800 CO -0.35 -0.10 0.03 -0.33 0.00 0.00 0.00 176.54 175.79 2rf9 h MET 801 N 0.00 0.00 -0.03 4.80 2.86 -0.89 -2.04 114.93 119.63 2rf9 h MET 801 Ca 0.13 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 2rf9 h MET 801 Cb 0.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.86 2rf9 h MET 801 CO -0.28 0.00 -0.09 -0.97 1.06 0.00 0.00 176.91 176.63 2rf9 h ASN 802 N 0.00 0.14 0.09 1.22 -0.73 0.38 -2.65 115.58 114.03 2rf9 h ASN 802 Ca 0.01 -0.61 -0.02 0.00 1.87 0.00 0.00 56.30 57.55 2rf9 h ASN 802 Cb 0.08 -0.04 -0.00 0.00 0.27 0.00 0.00 38.32 38.63 2rf9 h ASN 802 CO -0.00 0.72 -0.09 0.22 -0.37 0.00 0.00 177.43 177.91 2rf9 h TYR 803 N -0.43 0.02 -0.01 0.67 3.20 -0.65 0.24 116.97 120.01 2rf9 h TYR 803 Ca -0.00 -0.00 -0.23 0.00 3.14 0.00 0.00 58.73 61.64 2rf9 h TYR 803 Cb 0.71 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.98 2rf9 h TYR 803 CO 0.13 0.11 -0.93 -0.07 -1.64 0.00 0.00 178.16 175.76 2rf9 h LEU 804 N 0.02 0.59 -0.96 2.82 3.38 -1.54 -2.96 115.31 116.66 2rf9 h LEU 804 Ca 0.00 -0.47 -0.08 0.00 0.09 0.00 0.00 57.88 57.43 2rf9 h LEU 804 Cb 0.17 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2rf9 h LEU 804 CO 0.01 1.26 -0.09 -0.08 0.09 0.00 0.00 178.44 179.63 2rf9 h GLU 805 N 0.27 0.65 -0.37 1.13 4.81 -0.89 -1.37 114.58 118.81 2rf9 h GLU 805 Ca -0.08 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 2rf9 h GLU 805 Cb 1.57 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.88 2rf9 h GLU 805 CO 0.17 0.73 0.00 -0.25 -0.73 0.00 0.00 179.01 178.93 2rf9 n ASP 806 N -4.19 0.37 -2.76 1.04 9.92 0.75 -3.54 116.55 118.13 2rf9 n ASP 806 Ca 0.01 -1.90 -0.10 0.00 -0.53 0.00 0.00 54.79 52.27 2rf9 n ASP 806 Cb 0.33 -0.18 0.05 0.00 -0.64 0.00 0.00 41.12 40.68 2rf9 n ASP 806 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2rf9 n ARG 807 N -0.30 1.12 -3.06 -1.24 3.00 -0.58 -5.01 116.66 110.59 2rf9 n ARG 807 Ca 0.00 -2.81 -0.15 0.00 -0.01 0.00 0.00 57.85 54.88 2rf9 n ARG 807 Cb 0.09 -1.00 -0.04 0.00 0.00 0.00 0.00 32.46 31.51 2rf9 n ARG 807 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2rf9 n ARG 808 N -0.10 -0.94 -3.63 5.56 5.12 -1.23 -4.88 116.66 116.55 2rf9 n ARG 808 Ca 0.08 0.04 -0.22 0.00 -1.93 0.00 0.00 57.85 55.83 2rf9 n ARG 808 Cb 0.79 -1.65 -0.03 0.00 -1.16 0.00 0.00 32.46 30.41 2rf9 n ARG 808 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2rf9 s LEU 809 N -4.34 3.30 -0.29 0.55 1.98 -0.81 0.55 118.68 119.61 2rf9 s LEU 809 Ca 0.13 -0.82 0.02 0.00 -2.89 0.00 0.00 54.13 50.56 2rf9 s LEU 809 Cb -0.08 -1.91 0.16 0.00 0.66 0.00 0.00 46.19 45.02 2rf9 s LEU 809 CO 0.42 -0.70 0.42 -0.69 -1.89 0.00 0.00 176.35 173.90 2rf9 s VAL 810 N -2.52 -0.65 0.13 1.68 1.01 -0.89 -4.66 120.40 114.50 2rf9 s VAL 810 Ca 0.47 -0.25 -0.19 0.00 0.00 0.00 0.00 61.98 62.00 2rf9 s VAL 810 Cb -0.02 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 2rf9 s VAL 810 CO 0.27 -0.25 1.75 -0.74 0.00 0.00 0.00 175.10 176.13 2rf9 h HIS 811 N 8.15 0.14 0.00 5.22 2.76 -1.92 -2.95 115.15 126.55 2rf9 h HIS 811 Ca -0.10 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.09 2rf9 h HIS 811 Cb 1.13 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 30.06 2rf9 h HIS 811 CO 0.25 0.06 0.00 -2.13 -1.30 0.00 0.00 177.93 174.81 2rf9 n ARG 812 N -5.04 0.00 -3.86 5.26 0.63 -1.26 -3.39 116.66 109.00 2rf9 n ARG 812 Ca -0.02 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.63 2rf9 n ARG 812 Cb 0.09 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 32.87 2rf9 n ARG 812 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2rf9 s ASP 813 N 0.00 4.29 -0.15 6.15 2.15 -1.26 -4.91 116.67 122.95 2rf9 s ASP 813 Ca 0.00 -3.42 -0.12 0.00 0.43 0.00 0.00 52.55 49.44 2rf9 s ASP 813 Cb 0.00 -1.48 -0.05 0.00 -0.30 0.00 0.00 42.92 41.09 2rf9 s ASP 813 CO 0.00 -0.15 0.25 -0.22 -0.17 0.00 0.00 175.17 174.88 2rf9 s LEU 814 N -0.81 4.28 -0.02 -1.34 2.96 -1.26 -4.91 118.68 117.58 2rf9 s LEU 814 Ca 0.22 0.49 -0.29 0.00 -0.22 0.00 0.00 54.13 54.34 2rf9 s LEU 814 Cb -0.12 -2.29 0.10 0.00 0.50 0.00 0.00 46.19 44.37 2rf9 s LEU 814 CO -0.10 0.19 0.84 0.00 -1.32 0.00 0.00 176.35 175.96 2rf9 s ALA 815 N 0.05 -1.81 0.29 5.97 0.00 -1.26 -4.70 121.76 120.30 2rf9 s ALA 815 Ca 0.15 1.12 0.02 0.00 0.00 0.00 0.00 51.96 53.25 2rf9 s ALA 815 Cb -0.13 0.16 0.71 0.00 0.00 0.00 0.00 23.12 23.87 2rf9 s ALA 815 CO 0.04 -0.57 1.62 0.00 0.00 0.00 0.00 175.76 176.85 2rf9 h ALA 816 N 2.27 1.22 -0.17 0.00 0.00 -1.94 0.12 119.26 120.77 2rf9 h ALA 816 Ca -0.24 0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2rf9 h ALA 816 Cb 1.22 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 2rf9 h ALA 816 CO 0.33 -0.51 0.11 0.00 0.00 0.00 0.00 179.25 179.18 2rf9 h ARG 817 N 0.13 0.22 -0.45 0.00 3.08 -1.94 -2.53 114.38 112.88 2rf9 h ARG 817 Ca 0.56 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.60 2rf9 h ARG 817 Cb 1.14 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.15 2rf9 h ARG 817 CO -0.73 0.14 0.00 0.09 -1.07 0.00 0.00 179.97 178.40 2rf9 n ASN 818 N -4.98 0.45 -3.97 7.04 4.13 0.42 -4.60 115.26 113.75 2rf9 n ASN 818 Ca -0.04 -1.04 -0.25 0.00 1.68 0.00 0.00 54.58 54.93 2rf9 n ASN 818 Cb 0.03 -0.23 -0.17 0.00 -1.54 0.00 0.00 39.78 37.88 2rf9 n ASN 818 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2rf9 s VAL 819 N -1.13 1.07 0.13 2.41 1.01 -0.96 0.07 120.40 123.00 2rf9 s VAL 819 Ca 0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 2rf9 s VAL 819 Cb 0.00 -1.02 -0.05 0.00 0.00 0.00 0.00 36.38 35.31 2rf9 s VAL 819 CO 0.00 0.35 0.32 -0.76 0.00 0.00 0.00 175.10 175.01 2rf9 s LEU 820 N 1.07 4.29 -0.50 3.92 1.43 0.21 -1.07 118.68 128.04 2rf9 s LEU 820 Ca -0.07 0.42 -0.18 0.00 -1.03 0.00 0.00 54.13 53.26 2rf9 s LEU 820 Cb -0.14 -3.14 0.06 0.00 0.03 0.00 0.00 46.19 43.00 2rf9 s LEU 820 CO -0.01 0.07 0.58 -0.69 0.23 0.00 0.00 176.35 176.53 2rf9 s VAL 821 N -1.66 4.95 0.00 -1.59 1.01 -0.52 0.58 120.40 123.16 2rf9 s VAL 821 Ca 0.38 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.74 2rf9 s VAL 821 Cb -0.12 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 31.99 2rf9 s VAL 821 CO 0.27 -0.76 0.32 2.29 0.00 0.00 0.00 175.10 177.22 2rf9 n LYS 822 N 5.97 0.00 -4.19 2.72 0.00 0.62 -4.64 118.16 118.64 2rf9 n LYS 822 Ca -0.08 0.22 -0.13 0.00 -0.00 0.00 0.00 58.31 58.32 2rf9 n LYS 822 Cb 0.45 -0.94 -0.10 0.00 -0.00 0.00 0.00 35.03 34.44 2rf9 n LYS 822 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 2rf9 s THR 823 N -1.08 0.88 -0.50 0.58 -1.32 0.30 -4.93 115.64 109.57 2rf9 s THR 823 Ca 0.00 -1.84 0.07 0.00 -1.21 0.00 0.00 61.69 58.71 2rf9 s THR 823 Cb 0.00 -1.58 0.07 0.00 -1.51 0.00 0.00 72.50 69.48 2rf9 s THR 823 CO 0.00 -0.73 1.13 -2.65 -2.21 0.00 0.00 174.62 170.16 2rf9 n PRO 824 N 0.17 0.05 -0.13 7.08 -0.02 -1.26 0.25 135.00 141.13 2rf9 n PRO 824 Ca -0.13 0.48 0.09 0.00 -2.02 0.00 0.00 63.50 61.91 2rf9 n PRO 824 Cb 0.60 -1.78 0.15 0.00 -0.02 0.00 0.00 33.50 32.45 2rf9 n PRO 824 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2rf9 n GLN 825 N -1.70 2.10 -3.65 -0.52 3.00 -1.26 -4.86 117.38 110.49 2rf9 n GLN 825 Ca -0.00 -1.95 -0.04 0.00 -0.01 0.00 0.00 57.00 55.00 2rf9 n GLN 825 Cb 0.14 -1.38 -0.06 0.00 0.00 0.00 0.00 30.24 28.94 2rf9 n GLN 825 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 2rf9 s HIS 826 N -1.26 -1.16 0.10 1.08 5.04 0.70 -5.07 115.29 114.70 2rf9 s HIS 826 Ca 0.29 2.10 0.07 0.00 -1.54 0.00 0.00 55.06 55.97 2rf9 s HIS 826 Cb 0.17 0.66 -0.03 0.00 0.04 0.00 0.00 32.58 33.42 2rf9 s HIS 826 CO 0.24 -0.60 -0.17 0.14 -2.34 0.00 0.00 174.74 172.01 2rf9 s VAL 827 N 2.58 1.40 0.19 0.89 -7.23 -1.26 0.11 120.40 117.08 2rf9 s VAL 827 Ca -0.06 -1.51 0.07 0.00 -1.81 0.00 0.00 61.98 58.67 2rf9 s VAL 827 Cb -0.11 -1.38 -0.05 0.00 0.56 0.00 0.00 36.38 35.41 2rf9 s VAL 827 CO -0.18 -0.21 -0.14 -0.54 -0.31 0.00 0.00 175.10 173.72 2rf9 s LYS 828 N -2.05 1.25 0.06 4.82 1.02 0.19 -4.51 119.74 120.51 2rf9 s LYS 828 Ca 0.04 -1.53 0.01 0.00 0.02 0.00 0.00 55.97 54.50 2rf9 s LYS 828 Cb -0.09 -1.00 -0.04 0.00 -0.52 0.00 0.00 37.83 36.18 2rf9 s LYS 828 CO 0.03 0.16 0.16 0.42 -0.92 0.00 0.00 175.35 175.20 2rf9 s ILE 829 N -2.99 5.07 0.41 2.17 1.01 -0.99 0.68 121.20 126.56 2rf9 s ILE 829 Ca 0.20 -0.49 0.05 0.00 0.00 0.00 0.00 60.65 60.42 2rf9 s ILE 829 Cb -0.00 -3.45 -0.06 0.00 0.01 0.00 0.00 42.46 38.96 2rf9 s ILE 829 CO 0.05 0.17 0.02 -0.89 0.00 0.00 0.00 174.94 174.29 2rf9 s THR 830 N -1.43 1.68 0.03 2.92 2.01 0.11 -0.80 115.64 120.15 2rf9 s THR 830 Ca 0.32 -2.00 0.01 0.00 0.31 0.00 0.00 61.69 60.32 2rf9 s THR 830 Cb -0.13 -2.81 -0.02 0.00 0.01 0.00 0.00 72.50 69.55 2rf9 s THR 830 CO 0.24 0.00 -0.04 -0.62 -0.69 0.00 0.00 174.62 173.51 2rf9 s ASP 831 N -3.69 0.41 -0.18 3.53 2.15 -1.26 -4.87 116.67 112.75 2rf9 s ASP 831 Ca 0.30 -0.49 0.16 0.00 0.43 0.00 0.00 52.55 52.95 2rf9 s ASP 831 Cb 0.08 0.08 0.45 0.00 -0.30 0.00 0.00 42.92 43.22 2rf9 s ASP 831 CO 0.15 -0.26 1.18 0.49 -0.17 0.00 0.00 175.17 176.56 2rf9 n PHE 832 N 1.62 0.80 -2.12 -5.34 3.01 -1.26 -4.95 117.46 109.22 2rf9 n PHE 832 Ca -0.23 -1.50 -0.18 0.00 1.01 0.00 0.00 57.45 56.54 2rf9 n PHE 832 Cb 0.55 -0.24 -0.03 0.00 -0.01 0.00 0.00 39.48 39.75 2rf9 n PHE 832 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2rf9 n GLY 833 N -0.53 0.24 0.09 1.37 0.00 -1.26 -4.85 105.19 100.24 2rf9 n GLY 833 Ca 0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.34 2rf9 n GLY 833 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2rf9 n LEU 834 N -2.71 0.64 0.00 0.99 4.77 -1.26 -4.63 117.00 114.80 2rf9 n LEU 834 Ca -0.21 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 2rf9 n LEU 834 Cb 0.65 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 2rf9 n LEU 834 CO 0.26 -0.19 0.00 0.00 -1.33 0.00 0.00 177.39 176.13 2rf9 n ALA 835 N -1.73 0.00 0.00 -1.18 0.00 -1.22 -4.79 120.51 111.59 2rf9 n ALA 835 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2rf9 n ALA 835 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 2rf9 n ALA 835 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2rf9 n LYS 836 N 0.00 0.00 -3.17 0.00 5.02 -1.11 -4.94 118.16 113.95 2rf9 n LYS 836 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.90 2rf9 n LYS 836 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 2rf9 n LYS 836 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2rf9 s LEU 837 N 0.00 4.20 0.29 -0.35 1.02 -1.26 -2.09 118.68 120.49 2rf9 s LEU 837 Ca 0.00 0.86 -0.28 0.00 0.02 0.00 0.00 54.13 54.74 2rf9 s LEU 837 Cb 0.00 -2.85 -0.10 0.00 0.02 0.00 0.00 46.19 43.27 2rf9 s LEU 837 CO 0.00 -0.17 0.94 -0.76 0.02 0.00 0.00 176.35 176.38 2rf9 s LEU 838 N 1.38 4.46 -0.41 1.79 1.43 0.19 -5.00 118.68 122.52 2rf9 s LEU 838 Ca 0.29 1.88 -0.18 0.00 -1.03 0.00 0.00 54.13 55.08 2rf9 s LEU 838 Cb -0.16 -3.86 0.02 0.00 0.03 0.00 0.00 46.19 42.22 2rf9 s LEU 838 CO 0.11 0.02 0.50 -0.83 0.23 0.00 0.00 176.35 176.38 2rf9 s GLY 839 N -1.45 1.84 0.00 -3.19 0.00 -1.26 -4.88 107.32 98.38 2rf9 s GLY 839 Ca 0.47 -1.36 0.00 0.00 0.00 0.00 0.00 44.72 43.82 2rf9 s GLY 839 CO 0.27 1.27 0.00 0.00 0.00 0.00 0.00 173.10 174.63 2rf9 n ALA 840 N 5.78 0.00 -0.46 3.20 0.00 -1.26 -0.64 120.51 127.13 2rf9 n ALA 840 Ca -0.06 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.47 2rf9 n ALA 840 Cb 0.48 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.27 2rf9 n ALA 840 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2rf9 n GLU 841 N 0.00 3.55 -3.99 0.00 -0.00 -1.26 -4.95 120.64 113.99 2rf9 n GLU 841 Ca 0.00 -2.70 -0.36 0.00 -0.00 0.00 0.00 57.16 54.10 2rf9 n GLU 841 Cb 0.00 -1.85 -0.07 0.00 -0.00 0.00 0.00 31.44 29.52 2rf9 n GLU 841 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 2rf9 s GLU 842 N -1.80 3.39 0.00 3.44 4.04 0.19 -4.95 118.70 123.00 2rf9 s GLU 842 Ca 0.48 -0.21 0.00 0.00 0.04 0.00 0.00 54.97 55.29 2rf9 s GLU 842 Cb 0.31 -3.11 0.00 0.00 0.02 0.00 0.00 34.13 31.35 2rf9 s GLU 842 CO 0.24 0.72 0.00 1.63 -1.84 0.00 0.00 175.26 176.01 2rf9 n LYS 843 N 2.15 3.08 -4.11 -4.83 4.76 -1.26 -4.80 118.16 113.14 2rf9 n LYS 843 Ca -0.19 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.10 2rf9 n LYS 843 Cb 0.54 -0.91 -0.13 0.00 -1.84 0.00 0.00 35.03 32.69 2rf9 n LYS 843 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2rf9 s GLU 844 N -1.81 0.51 -0.07 1.97 1.03 -1.26 -4.57 118.70 114.50 2rf9 s GLU 844 Ca 0.00 -0.56 -0.12 0.00 0.03 0.00 0.00 54.97 54.31 2rf9 s GLU 844 Cb 0.00 -0.37 -0.05 0.00 -0.80 0.00 0.00 34.13 32.91 2rf9 s GLU 844 CO 0.00 0.08 0.30 -0.47 -1.33 0.00 0.00 175.26 173.85 2rf9 s TYR 845 N -0.92 3.63 -0.24 4.83 5.04 0.20 -4.90 117.35 124.99 2rf9 s TYR 845 Ca -0.05 0.77 -0.07 0.00 -2.44 0.00 0.00 57.07 55.27 2rf9 s TYR 845 Cb -0.07 -2.20 -0.03 0.00 0.35 0.00 0.00 41.96 40.01 2rf9 s TYR 845 CO 0.00 0.58 0.07 -3.38 -1.34 0.00 0.00 175.55 171.48 2rf9 s HIS 846 N -0.72 3.10 0.00 4.97 -3.43 -1.26 -0.37 115.29 117.58 2rf9 s HIS 846 Ca 0.20 -0.36 0.00 0.00 -0.80 0.00 0.00 55.06 54.09 2rf9 s HIS 846 Cb -0.14 -2.21 0.00 0.00 -1.43 0.00 0.00 32.58 28.79 2rf9 s HIS 846 CO 0.08 -0.30 0.00 0.00 -2.00 0.00 0.00 174.74 172.53 2rf9 n ALA 847 N 4.74 0.00 -0.55 -1.38 0.00 -0.88 -5.04 120.51 117.40 2rf9 n ALA 847 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2rf9 n ALA 847 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2rf9 n ALA 847 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rf9 n GLY 850 N 4.73 0.87 0.00 0.00 0.00 -1.26 -4.83 105.19 104.70 2rf9 n GLY 850 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2rf9 n GLY 850 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2rf9 n LYS 851 N 0.00 0.00 -2.32 1.61 2.85 -1.26 -4.99 118.16 114.05 2rf9 n LYS 851 Ca 0.00 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2rf9 n LYS 851 Cb 0.00 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.38 2rf9 n LYS 851 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 2rf9 n VAL 852 N 0.00-11.60 -1.57 0.58 0.31 -1.26 -4.69 118.33 100.10 2rf9 n VAL 852 Ca 0.00 2.74 -0.61 0.00 -0.01 0.00 0.00 64.34 66.46 2rf9 n VAL 852 Cb 0.00 -5.47 -0.08 0.00 -0.91 0.00 0.00 33.84 27.38 2rf9 n VAL 852 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2rf9 n PRO 853 N 1.88 0.09 0.02 5.55 -0.02 -1.26 -4.81 135.00 136.45 2rf9 n PRO 853 Ca -0.00 0.03 -0.10 0.00 -2.02 0.00 0.00 63.50 61.41 2rf9 n PRO 853 Cb 0.01 -1.55 -0.04 0.00 -0.02 0.00 0.00 33.50 31.91 2rf9 n PRO 853 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2rf9 h ILE 854 N 3.57 0.49 0.00 4.25 2.04 -1.91 -2.81 117.51 123.14 2rf9 h ILE 854 Ca -0.49 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.37 2rf9 h ILE 854 Cb 1.41 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 2rf9 h ILE 854 CO 0.75 0.00 0.66 0.11 0.00 0.00 0.00 178.15 179.67 2rf9 h LYS 855 N -0.29 0.00 -0.32 2.37 1.57 -1.89 -0.04 116.57 117.97 2rf9 h LYS 855 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2rf9 h LYS 855 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2rf9 h LYS 855 CO -0.25 0.00 0.00 0.91 -0.57 0.00 0.00 179.45 179.54 2rf9 n TRP 856 N -2.45 0.41 -4.27 -1.35 8.01 -1.06 -4.99 117.44 111.73 2rf9 n TRP 856 Ca -0.01 -0.21 -0.24 0.00 -1.31 0.00 0.00 57.50 55.74 2rf9 n TRP 856 Cb 0.68 -0.00 -0.07 0.00 -2.01 0.00 0.00 31.31 29.90 2rf9 n TRP 856 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2rf9 s MET 857 N -1.55 2.32 0.10 -0.99 0.23 -0.03 -3.98 119.30 115.39 2rf9 s MET 857 Ca 0.36 -1.34 -0.02 0.00 -1.03 0.00 0.00 55.69 53.66 2rf9 s MET 857 Cb 0.22 -2.21 0.03 0.00 -1.53 0.00 0.00 34.83 31.33 2rf9 s MET 857 CO 0.31 0.39 0.06 0.00 -2.03 0.00 0.00 175.02 173.74 2rf9 n ALA 858 N -0.72 -0.34 0.00 3.16 0.00 -1.26 -4.89 120.51 116.46 2rf9 n ALA 858 Ca -0.07 -0.10 -0.12 0.00 0.00 0.00 0.00 53.44 53.15 2rf9 n ALA 858 Cb 0.58 -0.01 -0.14 0.00 0.00 0.00 0.00 19.45 19.88 2rf9 n ALA 858 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2rf9 h LEU 859 N 0.00 0.12 -0.72 0.00 5.85 -1.95 -3.30 115.31 115.32 2rf9 h LEU 859 Ca -0.03 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.46 2rf9 h LEU 859 Cb 0.09 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.08 2rf9 h LEU 859 CO 0.02 1.21 0.00 1.05 -0.34 0.00 0.00 178.44 180.37 2rf9 h GLU 860 N 0.02 0.00 0.04 1.25 9.09 -1.93 -0.42 114.58 122.63 2rf9 h GLU 860 Ca -0.28 0.00 -0.24 0.00 0.05 0.00 0.00 59.36 58.89 2rf9 h GLU 860 Cb 1.99 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.10 2rf9 h GLU 860 CO 0.10 0.00 -1.04 0.77 0.05 0.00 0.00 179.01 178.89 2rf9 h SER 861 N 0.00 0.51 0.00 3.06 0.02 -1.65 -0.09 113.55 115.40 2rf9 h SER 861 Ca 0.00 -0.44 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2rf9 h SER 861 Cb 0.60 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.98 2rf9 h SER 861 CO 0.00 1.27 -0.00 0.40 -1.14 0.00 0.00 176.83 177.36 2rf9 h ILE 862 N 0.18 0.00 -0.54 3.27 2.04 -1.56 -3.03 117.51 117.87 2rf9 h ILE 862 Ca -0.10 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 2rf9 h ILE 862 Cb 1.70 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 2rf9 h ILE 862 CO 0.18 0.00 0.33 -0.07 0.00 0.00 0.00 178.15 178.58 2rf9 h LEU 863 N -0.05 0.64 -2.96 1.44 3.38 -1.26 -3.27 115.31 113.24 2rf9 h LEU 863 Ca 0.00 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2rf9 h LEU 863 Cb 0.00 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2rf9 h LEU 863 CO 0.00 0.50 -0.27 1.41 0.09 0.00 0.00 178.44 180.17 2rf9 n HIS 864 N -4.42 0.00 -3.46 1.13 8.25 -0.18 -5.00 115.22 111.54 2rf9 n HIS 864 Ca 0.05 -1.16 -0.16 0.00 -0.26 0.00 0.00 57.72 56.18 2rf9 n HIS 864 Cb 0.07 -0.19 -0.05 0.00 1.12 0.00 0.00 29.99 30.95 2rf9 n HIS 864 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2rf9 n ARG 865 N -1.18 -0.95 -5.21 -0.41 3.00 -0.79 -4.80 116.66 106.32 2rf9 n ARG 865 Ca 0.16 0.03 -0.32 0.00 -0.01 0.00 0.00 57.85 57.71 2rf9 n ARG 865 Cb 0.68 -1.77 -0.17 0.00 0.00 0.00 0.00 32.46 31.21 2rf9 n ARG 865 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2rf9 s ILE 866 N -3.74 2.12 -0.21 0.55 1.01 -0.40 -2.06 121.20 118.47 2rf9 s ILE 866 Ca 0.02 -1.02 0.02 0.00 0.00 0.00 0.00 60.65 59.67 2rf9 s ILE 866 Cb -0.01 -1.79 0.04 0.00 0.01 0.00 0.00 42.46 40.70 2rf9 s ILE 866 CO 0.51 0.56 -0.16 -0.31 0.00 0.00 0.00 174.94 175.55 2rf9 s TYR 867 N 0.13 2.87 0.09 3.97 1.51 0.50 -3.32 117.35 123.09 2rf9 s TYR 867 Ca -0.12 -1.85 0.06 0.00 -1.01 0.00 0.00 57.07 54.15 2rf9 s TYR 867 Cb -0.16 -1.88 -0.03 0.00 -0.11 0.00 0.00 41.96 39.78 2rf9 s TYR 867 CO 0.07 -0.82 -0.16 0.95 -1.11 0.00 0.00 175.55 174.47 2rf9 s THR 868 N 1.25 1.35 0.56 -0.71 -4.23 -1.26 0.59 115.64 113.19 2rf9 s THR 868 Ca -0.00 -1.46 0.43 0.00 -1.18 0.00 0.00 61.69 59.48 2rf9 s THR 868 Cb -0.16 -1.31 0.64 0.00 1.34 0.00 0.00 72.50 73.01 2rf9 s THR 868 CO -0.10 -0.20 1.63 0.45 -0.54 0.00 0.00 174.62 175.86 2rf9 h HIS 869 N 4.09 0.00 0.00 3.99 3.86 -1.88 1.17 115.15 126.38 2rf9 h HIS 869 Ca -0.42 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 58.55 2rf9 h HIS 869 Cb 1.19 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.62 2rf9 h HIS 869 CO 0.63 0.00 -1.24 1.96 0.86 0.00 0.00 177.93 180.14 2rf9 h GLN 870 N 0.00 0.00 -0.64 2.45 1.08 -1.95 -3.28 115.11 112.78 2rf9 h GLN 870 Ca 0.75 -0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.89 2rf9 h GLN 870 Cb 3.14 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 30.54 2rf9 h GLN 870 CO -0.01 0.84 0.16 0.66 -0.95 0.00 0.00 178.83 179.53 2rf9 h SER 871 N 0.00 0.94 -0.56 1.46 4.64 0.11 -2.37 113.55 117.76 2rf9 h SER 871 Ca -0.10 -0.18 0.08 0.00 -0.47 0.00 0.00 61.79 61.11 2rf9 h SER 871 Cb 1.85 -0.25 -0.06 0.00 -0.31 0.00 0.00 62.40 63.63 2rf9 h SER 871 CO 0.11 0.90 0.21 0.44 -0.87 0.00 0.00 176.83 177.63 2rf9 h ASP 872 N 0.95 0.22 -0.59 4.97 5.19 -1.53 -0.04 116.42 125.60 2rf9 h ASP 872 Ca 0.20 0.07 0.12 0.00 -0.62 0.00 0.00 57.03 56.80 2rf9 h ASP 872 Cb 0.33 0.04 -0.11 0.00 0.18 0.00 0.00 39.33 39.77 2rf9 h ASP 872 CO -0.00 0.15 -0.09 0.58 -3.12 0.00 0.00 179.24 176.75 2rf9 h VAL 873 N 0.40 0.44 -0.83 -1.35 2.07 -1.49 0.84 116.25 116.32 2rf9 h VAL 873 Ca 0.27 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.79 2rf9 h VAL 873 Cb 0.30 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 2rf9 h VAL 873 CO -0.27 0.01 0.55 -0.25 0.02 0.00 0.00 177.57 177.63 2rf9 h TRP 874 N 0.04 1.05 -0.21 1.57 2.91 -0.89 0.13 115.95 120.54 2rf9 h TRP 874 Ca 0.29 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.33 2rf9 h TRP 874 Cb 0.46 -0.35 -0.01 0.00 -0.51 0.00 0.00 29.16 28.75 2rf9 h TRP 874 CO -0.44 0.66 0.08 0.77 -1.03 0.00 0.00 178.44 178.48 2rf9 h SER 875 N 1.13 0.29 -0.84 2.65 0.02 0.13 -2.64 113.55 114.29 2rf9 h SER 875 Ca 0.31 -0.16 0.10 0.00 -0.84 0.00 0.00 61.79 61.19 2rf9 h SER 875 Cb -0.12 -0.07 -0.06 0.00 0.14 0.00 0.00 62.40 62.28 2rf9 h SER 875 CO -0.07 0.37 0.55 0.22 -1.14 0.00 0.00 176.83 176.76 2rf9 h TYR 876 N 0.18 0.85 -0.60 3.45 3.20 0.17 -0.90 116.97 123.31 2rf9 h TYR 876 Ca 0.07 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 2rf9 h TYR 876 Cb 0.18 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 2rf9 h TYR 876 CO -0.01 0.39 0.31 0.78 -1.64 0.00 0.00 178.16 177.99 2rf9 h GLY 877 N 0.78 0.89 0.75 1.82 0.00 -0.66 -0.79 103.07 105.87 2rf9 h GLY 877 Ca 0.39 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 2rf9 h GLY 877 CO -0.16 0.38 -0.00 -2.08 0.00 0.00 0.00 176.54 174.68 2rf9 h VAL 878 N 0.84 1.26 -0.08 4.60 2.07 -1.03 -1.15 116.25 122.76 2rf9 h VAL 878 Ca 0.21 -0.83 0.02 0.00 0.82 0.00 0.00 66.70 66.92 2rf9 h VAL 878 Cb 0.05 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 2rf9 h VAL 878 CO -0.03 0.24 -0.30 0.74 0.02 0.00 0.00 177.57 178.24 2rf9 h THR 879 N -0.08 0.00 -0.72 2.57 2.02 -0.83 0.16 112.91 116.03 2rf9 h THR 879 Ca 0.03 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.32 2rf9 h THR 879 Cb 0.37 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.66 2rf9 h THR 879 CO 0.01 0.00 -0.40 0.58 0.37 0.00 0.00 175.52 176.08 2rf9 h VAL 880 N -0.31 0.09 -0.67 3.16 2.07 -1.16 0.19 116.25 119.61 2rf9 h VAL 880 Ca 0.02 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.61 2rf9 h VAL 880 Cb 0.37 0.09 -0.10 0.00 -1.52 0.00 0.00 31.29 30.12 2rf9 h VAL 880 CO -0.24 0.00 -0.55 -0.25 0.02 0.00 0.00 177.57 176.55 2rf9 h TRP 881 N -0.13 -1.70 0.00 1.57 7.01 0.23 0.40 115.95 123.33 2rf9 h TRP 881 Ca 0.24 0.10 0.00 0.00 2.11 0.00 0.00 58.89 61.34 2rf9 h TRP 881 Cb 0.56 0.83 0.00 0.00 -2.10 0.00 0.00 29.16 28.45 2rf9 h TRP 881 CO -0.75 -0.43 0.00 0.39 -2.79 0.00 0.00 178.44 174.86 2rf9 n GLU 882 N -5.34 0.00 -0.31 2.65 1.02 0.57 0.51 120.64 119.74 2rf9 n GLU 882 Ca -0.00 0.80 0.03 0.00 -0.02 0.00 0.00 57.16 57.96 2rf9 n GLU 882 Cb 0.31 -1.36 0.10 0.00 -0.02 0.00 0.00 31.44 30.48 2rf9 n GLU 882 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2rf9 h LEU 883 N 0.00 -0.93 0.16 -4.62 3.38 -0.69 0.84 115.31 113.45 2rf9 h LEU 883 Ca 0.00 0.27 0.02 0.00 0.09 0.00 0.00 57.88 58.26 2rf9 h LEU 883 Cb 0.00 0.58 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 2rf9 h LEU 883 CO 0.00 -0.29 -0.38 0.24 0.09 0.00 0.00 178.44 178.10 2rf9 h MET 884 N -0.01 -0.62 0.00 1.13 2.86 0.97 0.31 114.93 119.58 2rf9 h MET 884 Ca 0.40 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 58.08 2rf9 h MET 884 Cb 0.63 0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.43 2rf9 h MET 884 CO -0.91 -0.41 0.00 0.25 1.06 0.00 0.00 176.91 176.90 2rf9 n THR 885 N -5.45 0.00 -3.17 2.22 -2.24 0.18 -4.83 114.28 100.98 2rf9 n THR 885 Ca -0.07 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.60 2rf9 n THR 885 Cb 0.36 -0.17 0.05 0.00 -2.10 0.00 0.00 70.33 68.47 2rf9 n THR 885 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2rf9 n PHE 886 N -0.52 -2.59 -2.01 4.78 3.72 0.23 -3.18 117.46 117.89 2rf9 n PHE 886 Ca 0.01 0.93 -0.19 0.00 -0.05 0.00 0.00 57.45 58.15 2rf9 n PHE 886 Cb 0.00 -4.10 -0.04 0.00 -0.94 0.00 0.00 39.48 34.40 2rf9 n PHE 886 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2rf9 n GLY 887 N -1.39 0.54 3.73 1.37 0.00 0.19 -4.69 105.19 104.94 2rf9 n GLY 887 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 2rf9 n GLY 887 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rf9 s SER 888 N -2.29 4.32 -0.31 1.61 0.01 -1.19 -4.93 113.70 110.92 2rf9 s SER 888 Ca 0.00 2.29 -0.29 0.00 1.31 0.00 0.00 55.95 59.26 2rf9 s SER 888 Cb 0.00 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.66 2rf9 s SER 888 CO 0.00 -2.17 1.12 -1.59 0.41 0.00 0.00 173.24 171.01 2rf9 s LYS 889 N -3.96 4.04 0.01 12.44 0.00 -1.26 -4.72 119.74 126.29 2rf9 s LYS 889 Ca 0.73 1.12 -0.31 0.00 0.00 0.00 0.00 55.97 57.51 2rf9 s LYS 889 Cb -0.27 -3.77 -0.10 0.00 0.00 0.00 0.00 37.83 33.69 2rf9 s LYS 889 CO 0.45 -0.94 1.94 -0.35 0.00 0.00 0.00 175.35 176.45 2rf9 n PRO 890 N 6.96 2.70 0.00 1.78 -0.04 -1.26 -2.17 135.00 142.96 2rf9 n PRO 890 Ca 0.13 0.99 0.00 0.00 -0.04 0.00 0.00 63.50 64.57 2rf9 n PRO 890 Cb 0.47 -2.91 0.00 0.00 -0.04 0.00 0.00 33.50 31.02 2rf9 n PRO 890 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2rf9 n TYR 891 N 7.19 0.00 0.00 0.54 4.02 -1.26 -4.88 117.16 122.77 2rf9 n TYR 891 Ca 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.10 2rf9 n TYR 891 Cb 0.38 -0.08 0.00 0.00 -0.02 0.00 0.00 39.34 39.62 2rf9 n TYR 891 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 2rf9 n ASP 892 N 0.01 0.00 0.00 7.72 2.03 -0.92 -2.08 116.55 123.30 2rf9 n ASP 892 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2rf9 n ASP 892 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2rf9 n ASP 892 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2rf9 n GLY 893 N 0.00 2.04 3.43 0.27 0.00 -1.26 -5.06 105.19 104.60 2rf9 n GLY 893 Ca 0.00 -0.57 -0.44 0.00 0.00 0.00 0.00 46.02 45.01 2rf9 n GLY 893 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rf9 s ILE 894 N -0.39 5.13 0.18 -0.61 1.01 -0.88 -5.04 121.20 120.59 2rf9 s ILE 894 Ca 0.00 -0.75 -0.08 0.00 0.00 0.00 0.00 60.65 59.82 2rf9 s ILE 894 Cb 0.00 -4.13 -0.06 0.00 0.01 0.00 0.00 42.46 38.28 2rf9 s ILE 894 CO 0.00 -0.57 -0.01 -2.65 0.00 0.00 0.00 174.94 171.71 2rf9 n PRO 895 N 5.50 0.00 0.00 2.79 -0.02 -1.26 -4.76 135.00 137.25 2rf9 n PRO 895 Ca -0.10 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.43 2rf9 n PRO 895 Cb 0.45 -0.40 0.32 0.00 -0.02 0.00 0.00 33.50 33.85 2rf9 n PRO 895 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2rf9 n ALA 896 N -0.52 2.08 -0.10 3.55 0.00 -1.26 -3.22 120.51 121.04 2rf9 n ALA 896 Ca 0.04 -0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.19 2rf9 n ALA 896 Cb 0.18 -1.18 -0.12 0.00 0.00 0.00 0.00 19.45 18.33 2rf9 n ALA 896 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2rf9 h SER 897 N 0.00 0.01 0.72 0.00 4.64 -2.04 -3.39 113.55 113.49 2rf9 h SER 897 Ca 0.00 -0.53 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 2rf9 h SER 897 Cb 0.00 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2rf9 h SER 897 CO 0.00 1.48 0.00 -0.62 -0.87 0.00 0.00 176.83 176.82 2rf9 n GLU 898 N -4.42 0.14 -0.41 4.77 1.02 -1.20 -3.74 120.64 116.81 2rf9 n GLU 898 Ca -0.31 0.35 0.36 0.00 -0.02 0.00 0.00 57.16 57.54 2rf9 n GLU 898 Cb 0.68 -1.75 0.70 0.00 -0.02 0.00 0.00 31.44 31.05 2rf9 n GLU 898 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2rf9 h ILE 899 N 0.00 0.32 0.10 -3.67 1.08 -1.76 0.28 117.51 113.86 2rf9 h ILE 899 Ca 0.00 -0.03 -0.00 0.00 -0.39 0.00 0.00 64.86 64.43 2rf9 h ILE 899 Cb 0.36 0.22 0.00 0.00 -3.07 0.00 0.00 36.82 34.33 2rf9 h ILE 899 CO 0.00 0.02 -0.05 0.77 -0.69 0.00 0.00 178.15 178.20 2rf9 h SER 900 N 0.09 -0.11 -1.36 1.72 4.64 -1.89 -0.47 113.55 116.17 2rf9 h SER 900 Ca 0.68 -0.07 0.44 0.00 -0.47 0.00 0.00 61.79 62.37 2rf9 h SER 900 Cb 2.42 0.03 -0.10 0.00 -0.31 0.00 0.00 62.40 64.44 2rf9 h SER 900 CO -0.13 0.40 0.92 -1.20 -0.87 0.00 0.00 176.83 175.95 2rf9 n SER 901 N -4.86 0.12 -0.10 4.97 7.64 0.76 0.11 113.62 122.26 2rf9 n SER 901 Ca -0.02 1.08 -0.12 0.00 1.01 0.00 0.00 58.87 60.82 2rf9 n SER 901 Cb 0.09 -0.53 -0.14 0.00 -1.01 0.00 0.00 64.21 62.61 2rf9 n SER 901 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 2rf9 n ILE 902 N -4.16 1.36 0.26 0.44 -5.35 0.19 -3.79 119.36 108.30 2rf9 n ILE 902 Ca 0.36 -0.75 0.15 0.00 -0.27 0.00 0.00 62.75 62.24 2rf9 n ILE 902 Cb 1.48 -0.72 0.86 0.00 -1.74 0.00 0.00 39.64 39.52 2rf9 n ILE 902 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 2rf9 h LEU 903 N 0.00 0.00 0.18 7.28 5.85 0.25 0.12 115.31 128.99 2rf9 h LEU 903 Ca -0.54 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 57.92 2rf9 h LEU 903 Cb 2.11 0.00 0.02 0.00 0.37 0.00 0.00 40.66 43.16 2rf9 h LEU 903 CO -0.00 0.00 -1.19 -0.33 -0.34 0.00 0.00 178.44 176.57 2rf9 h GLU 904 N 0.00 0.38 0.00 1.25 5.08 -0.98 -3.23 114.58 117.08 2rf9 h GLU 904 Ca 0.03 -0.65 0.00 0.00 -1.00 0.00 0.00 59.36 57.74 2rf9 h GLU 904 Cb 0.17 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2rf9 h GLU 904 CO -0.00 1.31 0.00 1.63 -1.00 0.00 0.00 179.01 180.95 2rf9 n LYS 905 N -3.92 0.34 -3.04 2.33 5.02 0.34 -4.80 118.16 114.42 2rf9 n LYS 905 Ca -0.17 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 55.99 2rf9 n LYS 905 Cb 0.95 -1.12 0.07 0.00 -0.02 0.00 0.00 35.03 34.91 2rf9 n LYS 905 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2rf9 n GLY 906 N -0.19 -0.42 3.49 0.72 0.00 -0.74 -5.03 105.19 103.02 2rf9 n GLY 906 Ca 0.02 0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 2rf9 n GLY 906 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2rf9 s GLU 907 N -4.70 2.49 0.15 1.61 2.02 -0.72 -5.03 118.70 114.54 2rf9 s GLU 907 Ca 0.15 -0.70 -0.01 0.00 0.02 0.00 0.00 54.97 54.43 2rf9 s GLU 907 Cb -0.02 -2.38 -0.04 0.00 0.10 0.00 0.00 34.13 31.79 2rf9 s GLU 907 CO 0.59 0.62 0.06 1.03 0.02 0.00 0.00 175.26 177.58 2rf9 s ARG 908 N -0.80 1.02 0.50 1.61 1.81 -1.26 -4.46 118.95 117.36 2rf9 s ARG 908 Ca 0.12 -1.50 -0.22 0.00 -1.72 0.00 0.00 55.73 52.41 2rf9 s ARG 908 Cb -0.11 0.15 -0.08 0.00 -0.45 0.00 0.00 34.95 34.46 2rf9 s ARG 908 CO 0.01 -0.27 0.93 1.28 -0.68 0.00 0.00 175.30 176.57 2rf9 n LEU 909 N -0.16 2.70 -4.33 2.53 4.32 -1.26 -4.94 117.00 115.86 2rf9 n LEU 909 Ca -0.04 0.92 -0.29 0.00 -0.02 0.00 0.00 56.01 56.58 2rf9 n LEU 909 Cb 0.64 -1.34 0.28 0.00 -1.62 0.00 0.00 43.42 41.38 2rf9 n LEU 909 CO 0.32 -1.81 0.41 -0.81 -1.22 0.00 0.00 177.39 174.28 2rf9 n PRO 910 N -0.23 -3.87 -3.02 3.23 -0.04 -1.26 -4.95 135.00 124.85 2rf9 n PRO 910 Ca 0.11 -1.13 -0.39 0.00 -0.04 0.00 0.00 63.50 62.04 2rf9 n PRO 910 Cb 0.43 -2.03 -0.06 0.00 -0.04 0.00 0.00 33.50 31.81 2rf9 n PRO 910 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2rf9 s GLN 911 N -4.74 4.50 -0.22 0.54 0.74 -1.26 -5.01 119.66 114.21 2rf9 s GLN 911 Ca 0.68 1.07 -0.29 0.00 0.05 0.00 0.00 55.36 56.87 2rf9 s GLN 911 Cb -0.18 -3.30 -0.01 0.00 1.10 0.00 0.00 33.01 30.61 2rf9 s GLN 911 CO 0.61 0.45 1.39 -2.14 -0.55 0.00 0.00 175.29 175.05 2rf9 s PRO 912 N -0.66 4.02 0.28 1.67 0.02 -1.26 -4.91 135.00 134.16 2rf9 s PRO 912 Ca 0.36 1.56 -0.03 0.00 0.02 0.00 0.00 61.00 62.91 2rf9 s PRO 912 Cb -0.22 -3.89 0.59 0.00 0.02 0.00 0.00 34.50 31.01 2rf9 s PRO 912 CO 0.24 -1.00 1.59 -1.35 -0.33 0.00 0.00 177.00 176.15 2rf9 h PRO 913 N 9.27 0.03 0.00 5.54 0.11 -1.95 0.77 132.00 145.77 2rf9 h PRO 913 Ca -0.29 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2rf9 h PRO 913 Cb 1.12 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2rf9 h PRO 913 CO 1.00 0.02 0.00 0.44 -0.21 0.00 0.00 178.00 179.25 2rf9 n ILE 914 N -5.49 0.00 -3.50 4.15 -5.35 -1.26 -4.75 119.36 103.15 2rf9 n ILE 914 Ca 0.19 0.00 -0.40 0.00 -0.27 0.00 0.00 62.75 62.27 2rf9 n ILE 914 Cb 0.62 -0.61 -0.10 0.00 -1.74 0.00 0.00 39.64 37.80 2rf9 n ILE 914 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2rf9 s THR 916 N 1.80 2.62 -2.00 0.00 -4.23 -0.31 -4.77 115.64 108.75 2rf9 s THR 916 Ca 0.08 0.38 0.01 0.00 -1.18 0.00 0.00 61.69 60.97 2rf9 s THR 916 Cb -0.17 -3.12 0.02 0.00 1.34 0.00 0.00 72.50 70.57 2rf9 s THR 916 CO 0.11 -0.10 0.23 2.30 -0.54 0.00 0.00 174.62 176.62 2rf9 n ILE 917 N -1.73 0.00 -0.11 2.99 -5.35 -1.26 -1.13 119.36 112.77 2rf9 n ILE 917 Ca 0.13 0.00 -0.16 0.00 -0.27 0.00 0.00 62.75 62.45 2rf9 n ILE 917 Cb 0.50 -0.59 -0.13 0.00 -1.74 0.00 0.00 39.64 37.67 2rf9 n ILE 917 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2rf9 n ASP 918 N -0.63 1.50 0.13 7.28 9.92 -1.26 -4.06 116.55 129.43 2rf9 n ASP 918 Ca 0.01 -0.08 -0.11 0.00 -0.53 0.00 0.00 54.79 54.07 2rf9 n ASP 918 Cb 0.00 -0.10 -0.07 0.00 -0.64 0.00 0.00 41.12 40.31 2rf9 n ASP 918 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 2rf9 h VAL 919 N 0.00 0.59 -0.63 2.53 2.07 -1.41 -3.32 116.25 116.09 2rf9 h VAL 919 Ca -0.56 -0.80 0.06 0.00 0.82 0.00 0.00 66.70 66.22 2rf9 h VAL 919 Cb 1.99 0.93 -0.08 0.00 -1.52 0.00 0.00 31.29 32.62 2rf9 h VAL 919 CO -0.05 0.13 -0.37 0.00 0.02 0.00 0.00 177.57 177.30 2rf9 n TYR 920 N -5.06 -0.26 -0.45 1.57 9.36 -1.13 -1.39 117.16 119.79 2rf9 n TYR 920 Ca -0.08 0.79 0.39 0.00 3.32 0.00 0.00 57.90 62.32 2rf9 n TYR 920 Cb 0.26 -0.56 0.73 0.00 -0.63 0.00 0.00 39.34 39.14 2rf9 n TYR 920 CO 0.00 0.00 0.00 0.52 0.22 0.00 0.00 176.86 177.60 2rf9 h MET 921 N 0.00 0.06 0.00 2.98 2.86 -1.70 0.48 114.93 119.60 2rf9 h MET 921 Ca 0.11 -0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.69 2rf9 h MET 921 Cb 0.26 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 2rf9 h MET 921 CO -0.59 0.04 -0.25 0.82 1.06 0.00 0.00 176.91 177.98 2rf9 h ILE 922 N 0.06 0.54 0.06 -1.22 2.04 -1.40 -2.19 117.51 115.39 2rf9 h ILE 922 Ca 0.71 -1.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.26 2rf9 h ILE 922 Cb 2.64 1.91 0.00 0.00 -0.74 0.00 0.00 36.82 40.64 2rf9 h ILE 922 CO -0.10 0.24 -0.03 0.24 0.00 0.00 0.00 178.15 178.51 2rf9 h MET 923 N 0.00 -0.07 -0.65 2.37 2.86 -0.15 -3.15 114.93 116.14 2rf9 h MET 923 Ca -0.00 0.00 0.19 0.00 -2.06 0.00 0.00 59.70 57.83 2rf9 h MET 923 Cb 0.89 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.55 2rf9 h MET 923 CO 0.03 -0.05 0.63 0.28 1.06 0.00 0.00 176.91 178.86 2rf9 h VAL 924 N -0.42 0.35 -0.26 -2.22 2.07 -1.58 0.22 116.25 114.41 2rf9 h VAL 924 Ca -0.01 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.39 2rf9 h VAL 924 Cb 0.06 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 2rf9 h VAL 924 CO 0.01 0.00 -0.36 0.50 0.02 0.00 0.00 177.57 177.74 2rf9 h LYS 925 N 0.00 0.59 0.00 1.57 3.64 -1.44 -2.51 116.57 118.42 2rf9 h LYS 925 Ca 0.31 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2rf9 h LYS 925 Cb 1.56 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.37 2rf9 h LYS 925 CO -0.00 0.86 0.00 0.00 -2.27 0.00 0.00 179.45 178.04 2rf9 n TRP 927 N -2.34 1.74 -1.77 0.00 8.01 -0.94 -4.06 117.44 118.07 2rf9 n TRP 927 Ca 0.03 -0.69 -0.34 0.00 -1.31 0.00 0.00 57.50 55.19 2rf9 n TRP 927 Cb 0.32 -0.47 0.05 0.00 -2.01 0.00 0.00 31.31 29.19 2rf9 n TRP 927 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 2rf9 s MET 928 N -2.41 2.73 0.02 -0.99 -1.94 -1.11 -4.96 119.30 110.63 2rf9 s MET 928 Ca 0.43 1.55 -0.21 0.00 -1.71 0.00 0.00 55.69 55.75 2rf9 s MET 928 Cb 0.33 -1.93 -0.17 0.00 2.01 0.00 0.00 34.83 35.08 2rf9 s MET 928 CO 0.12 -1.34 1.27 0.82 -0.01 0.00 0.00 175.02 175.88 2rf9 h ILE 929 N 0.18 1.39 -2.96 2.53 1.08 -1.93 -3.41 117.51 114.39 2rf9 h ILE 929 Ca -0.48 -1.47 -0.53 0.00 -0.39 0.00 0.00 64.86 61.99 2rf9 h ILE 929 Cb 1.26 2.09 0.02 0.00 -3.07 0.00 0.00 36.82 37.12 2rf9 h ILE 929 CO 0.53 0.42 0.77 -0.62 -0.69 0.00 0.00 178.15 178.56 2rf9 s ASP 930 N -6.19 6.80 0.10 1.72 -1.08 -1.26 -4.89 116.67 111.86 2rf9 s ASP 930 Ca -0.14 2.33 -0.02 0.00 -0.52 0.00 0.00 52.55 54.20 2rf9 s ASP 930 Cb 0.04 -2.58 -0.21 0.00 -1.46 0.00 0.00 42.92 38.71 2rf9 s ASP 930 CO 0.75 -0.69 1.22 0.00 0.52 0.00 0.00 175.17 176.97 2rf9 h ALA 931 N 7.03 0.22 -0.95 3.66 0.00 -1.99 -3.29 119.26 123.95 2rf9 h ALA 931 Ca -0.42 -0.84 -0.68 0.00 0.00 0.00 0.00 54.91 52.98 2rf9 h ALA 931 Cb 1.20 -0.03 -0.27 0.00 0.00 0.00 0.00 17.79 18.69 2rf9 h ALA 931 CO 0.88 0.98 0.89 -0.25 0.00 0.00 0.00 179.25 181.74 2rf9 n ASP 932 N -3.55 7.54 0.00 0.00 8.00 -1.26 -3.68 116.55 123.60 2rf9 n ASP 932 Ca -0.06 -3.74 0.00 0.00 0.71 0.00 0.00 54.79 51.70 2rf9 n ASP 932 Cb 0.96 -1.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 2rf9 n ASP 932 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2rf9 n SER 933 N -0.67 0.64 -4.82 -2.24 3.41 -1.24 -5.09 113.62 103.61 2rf9 n SER 933 Ca 0.58 -0.16 -0.29 0.00 -0.26 0.00 0.00 58.87 58.73 2rf9 n SER 933 Cb 0.53 0.45 0.12 0.00 -0.26 0.00 0.00 64.21 65.05 2rf9 n SER 933 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2rf9 s ARG 934 N -0.58 1.51 0.01 4.33 0.52 -1.24 -4.99 118.95 118.50 2rf9 s ARG 934 Ca 0.00 0.29 -0.30 0.00 -0.52 0.00 0.00 55.73 55.19 2rf9 s ARG 934 Cb 0.00 -1.88 -0.06 0.00 0.52 0.00 0.00 34.95 33.52 2rf9 s ARG 934 CO 0.00 -1.95 1.52 -2.14 0.02 0.00 0.00 175.30 172.76 2rf9 s PRO 935 N -5.34 4.24 0.65 3.54 0.02 -1.26 -5.01 135.00 131.83 2rf9 s PRO 935 Ca 0.63 2.12 -0.12 0.00 0.02 0.00 0.00 61.00 63.64 2rf9 s PRO 935 Cb -0.14 -3.65 -0.01 0.00 0.02 0.00 0.00 34.50 30.72 2rf9 s PRO 935 CO 0.52 -0.68 1.05 0.15 -0.33 0.00 0.00 177.00 177.72 2rf9 s LYS 936 N 2.76 3.17 0.06 5.54 -0.14 -1.26 -4.86 119.74 125.01 2rf9 s LYS 936 Ca 0.69 1.00 -0.35 0.00 -1.36 0.00 0.00 55.97 55.95 2rf9 s LYS 936 Cb -0.34 -2.02 -0.19 0.00 -1.68 0.00 0.00 37.83 33.60 2rf9 s LYS 936 CO 0.29 -0.92 1.53 0.74 -0.76 0.00 0.00 175.35 176.22 2rf9 h PHE 937 N -0.27 -1.22 -0.66 3.18 0.05 -1.94 -2.36 116.94 113.72 2rf9 h PHE 937 Ca -0.45 -0.02 0.12 0.00 3.82 0.00 0.00 57.97 61.44 2rf9 h PHE 937 Cb 1.21 0.42 -0.11 0.00 2.00 0.00 0.00 35.95 39.47 2rf9 h PHE 937 CO 0.62 -0.71 -0.22 0.54 -0.18 0.00 0.00 178.31 178.36 2rf9 n ARG 938 N -5.39 -0.11 -0.06 1.51 1.74 -1.26 -0.22 116.66 112.86 2rf9 n ARG 938 Ca -0.15 1.02 -0.07 0.00 -0.77 0.00 0.00 57.85 57.88 2rf9 n ARG 938 Cb 0.48 -1.52 -0.01 0.00 -1.02 0.00 0.00 32.46 30.39 2rf9 n ARG 938 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2rf9 h GLU 939 N 0.00 -0.04 -0.62 5.56 5.08 -1.84 -2.25 114.58 120.47 2rf9 h GLU 939 Ca 0.27 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.78 2rf9 h GLU 939 Cb 0.43 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 2rf9 h GLU 939 CO -0.67 -0.02 0.43 -0.07 -1.00 0.00 0.00 179.01 177.68 2rf9 h LEU 940 N -0.04 0.18 0.40 1.33 3.38 -0.09 0.18 115.31 120.65 2rf9 h LEU 940 Ca 0.13 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 2rf9 h LEU 940 Cb 0.24 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2rf9 h LEU 940 CO -0.29 0.09 -0.19 0.40 0.09 0.00 0.00 178.44 178.54 2rf9 h ILE 941 N 0.19 0.57 -0.45 1.22 2.04 -1.16 -2.11 117.51 117.82 2rf9 h ILE 941 Ca 0.30 -0.42 0.07 0.00 1.00 0.00 0.00 64.86 65.80 2rf9 h ILE 941 Cb 0.91 0.76 -0.09 0.00 -0.74 0.00 0.00 36.82 37.66 2rf9 h ILE 941 CO -0.05 0.07 -0.46 0.40 0.00 0.00 0.00 178.15 178.11 2rf9 h ILE 942 N -0.80 0.08 0.00 -0.67 2.04 -0.50 3.83 117.51 121.49 2rf9 h ILE 942 Ca -0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.80 2rf9 h ILE 942 Cb 0.53 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 2rf9 h ILE 942 CO 0.09 0.00 0.00 -0.33 0.00 0.00 0.00 178.15 177.91 2rf9 h GLU 943 N -0.32 0.00 0.01 2.37 5.08 -1.36 -2.37 114.58 117.99 2rf9 h GLU 943 Ca 0.13 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.12 2rf9 h GLU 943 Cb 0.58 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.77 2rf9 h GLU 943 CO -0.61 0.00 -2.35 1.19 -1.00 0.00 0.00 179.01 176.24 2rf9 n PHE 944 N -2.43 0.16 1.04 4.33 3.72 0.21 -2.55 117.46 121.95 2rf9 n PHE 944 Ca 0.02 0.04 0.09 0.00 -0.05 0.00 0.00 57.45 57.55 2rf9 n PHE 944 Cb 0.25 -1.03 0.51 0.00 -0.94 0.00 0.00 39.48 38.27 2rf9 n PHE 944 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2rf9 n SER 945 N -3.05 0.00 -0.02 4.37 7.64 1.24 0.17 113.62 123.98 2rf9 n SER 945 Ca -0.38 -0.41 -0.02 0.00 1.01 0.00 0.00 58.87 59.08 2rf9 n SER 945 Cb 1.07 -0.07 -0.01 0.00 -1.01 0.00 0.00 64.21 64.19 2rf9 n SER 945 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2rf9 n LYS 946 N -1.07 0.10 -0.32 1.43 4.81 -0.90 -4.17 118.16 118.04 2rf9 n LYS 946 Ca 0.12 0.04 0.11 0.00 -0.87 0.00 0.00 58.31 57.71 2rf9 n LYS 946 Cb 0.08 -0.67 0.24 0.00 0.02 0.00 0.00 35.03 34.71 2rf9 n LYS 946 CO 0.00 0.00 0.00 0.52 1.17 0.00 0.00 177.40 179.09 2rf9 h MET 947 N -0.19 0.05 -0.94 1.64 2.86 -1.31 2.04 114.93 119.07 2rf9 h MET 947 Ca 0.00 -0.00 0.27 0.00 -2.06 0.00 0.00 59.70 57.91 2rf9 h MET 947 Cb 0.19 -0.01 -0.14 0.00 0.06 0.00 0.00 31.60 31.70 2rf9 h MET 947 CO 0.00 0.03 0.41 0.00 1.06 0.00 0.00 176.91 178.41 2rf9 h ALA 948 N 1.90 1.61 0.00 6.32 0.00 -0.50 1.13 119.26 129.71 2rf9 h ALA 948 Ca 0.53 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.64 2rf9 h ALA 948 Cb 1.04 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2rf9 h ALA 948 CO -0.84 -0.48 0.04 2.89 0.00 0.00 0.00 179.25 180.85 2rf9 n ARG 949 N -5.11 0.00 -2.71 0.00 1.85 0.69 -2.85 116.66 108.53 2rf9 n ARG 949 Ca 0.26 0.25 -0.08 0.00 -1.00 0.00 0.00 57.85 57.28 2rf9 n ARG 949 Cb 0.81 -1.54 0.10 0.00 -1.05 0.00 0.00 32.46 30.79 2rf9 n ARG 949 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 2rf9 n ASP 950 N -1.22 -2.04 -0.36 2.89 5.68 0.39 -5.05 116.55 116.84 2rf9 n ASP 950 Ca 0.00 -2.88 -0.10 0.00 -0.50 0.00 0.00 54.79 51.31 2rf9 n ASP 950 Cb 0.04 1.36 -0.09 0.00 -1.14 0.00 0.00 41.12 41.29 2rf9 n ASP 950 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 2rf9 h PRO 951 N 2.35 -0.01 0.00 0.11 0.13 -1.34 0.35 132.00 133.60 2rf9 h PRO 951 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2rf9 h PRO 951 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2rf9 h PRO 951 CO 0.00 -0.00 0.53 1.96 -0.23 0.00 0.00 178.00 180.26 2rf9 h GLN 952 N -0.01 0.00 0.00 0.86 7.50 -1.91 -0.30 115.11 121.25 2rf9 h GLN 952 Ca 0.14 0.00 -0.16 0.00 0.50 0.00 0.00 58.65 59.13 2rf9 h GLN 952 Cb 0.36 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.87 2rf9 h GLN 952 CO -0.82 0.00 -0.90 -0.09 -1.50 0.00 0.00 178.83 175.52 2rf9 h ARG 953 N 0.00 0.00 0.00 1.46 2.43 -0.65 -3.37 114.38 114.25 2rf9 h ARG 953 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2rf9 h ARG 953 Cb 1.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 2rf9 h ARG 953 CO 0.00 0.59 -1.58 0.66 -1.51 0.00 0.00 179.97 178.13 2rf9 n TYR 954 N -3.18 0.00 -4.42 2.20 4.02 -0.16 -4.93 117.16 110.69 2rf9 n TYR 954 Ca -0.02 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.60 2rf9 n TYR 954 Cb 0.83 -0.31 -0.11 0.00 -0.02 0.00 0.00 39.34 39.73 2rf9 n TYR 954 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2rf9 s LEU 955 N -3.90 2.50 -0.40 7.72 1.43 -0.99 -1.16 118.68 123.88 2rf9 s LEU 955 Ca -0.04 -0.86 0.01 0.00 -1.03 0.00 0.00 54.13 52.21 2rf9 s LEU 955 Cb 0.11 -1.21 0.14 0.00 0.03 0.00 0.00 46.19 45.26 2rf9 s LEU 955 CO 0.67 0.11 0.22 -0.69 0.23 0.00 0.00 176.35 176.89 2rf9 s VAL 956 N -1.77 0.93 -0.11 -1.59 1.01 0.50 -4.64 120.40 114.72 2rf9 s VAL 956 Ca 0.22 -2.20 0.03 0.00 0.00 0.00 0.00 61.98 60.03 2rf9 s VAL 956 Cb -0.08 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.65 2rf9 s VAL 956 CO 0.11 -0.92 -0.22 -0.63 0.00 0.00 0.00 175.10 173.43 2rf9 s ILE 957 N 0.66 2.15 -1.18 2.22 1.01 -1.26 -4.54 121.20 120.26 2rf9 s ILE 957 Ca 0.17 -0.98 -0.20 0.00 0.00 0.00 0.00 60.65 59.65 2rf9 s ILE 957 Cb -0.24 -1.84 0.07 0.00 0.01 0.00 0.00 42.46 40.47 2rf9 s ILE 957 CO -0.00 0.55 1.59 0.00 0.00 0.00 0.00 174.94 177.08 2rf9 s GLN 958 N 0.48 3.84 0.00 2.79 1.03 -1.26 -4.97 119.66 121.56 2rf9 s GLN 958 Ca -0.15 -1.72 0.00 0.00 0.04 0.00 0.00 55.36 53.53 2rf9 s GLN 958 Cb -0.17 -5.42 0.00 0.00 0.03 0.00 0.00 33.01 27.45 2rf9 s GLN 958 CO 0.06 -2.19 0.00 0.41 -2.54 0.00 0.00 175.29 171.03