#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i9s h PRO 2 N 0.00 0.36 -2.07 1.61 0.11 -2.07 -2.91 132.00 127.02 2i9s h PRO 2 Ca 0.00 -0.05 -0.58 0.00 0.11 0.00 0.00 66.00 65.48 2i9s h PRO 2 Cb 0.00 -0.07 -0.19 0.00 0.11 0.00 0.00 31.00 30.85 2i9s h PRO 2 CO 0.00 0.35 0.73 0.41 -0.21 0.00 0.00 178.00 179.28 2i9s n GLY 3 N -0.88 4.68 3.73 -0.55 0.00 -1.26 -4.98 105.19 105.93 2i9s n GLY 3 Ca -0.03 -2.02 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 2i9s n GLY 3 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2i9s s LYS 4 N -2.11 4.15 0.00 1.61 -2.85 -1.10 -5.02 119.74 114.42 2i9s s LYS 4 Ca 0.57 2.53 0.00 0.00 -1.00 0.00 0.00 55.97 58.06 2i9s s LYS 4 Cb 0.37 -3.08 0.00 0.00 -2.06 0.00 0.00 37.83 33.06 2i9s s LYS 4 CO -0.24 -0.66 0.00 -2.30 0.10 0.00 0.00 175.35 172.25 2i9s n PRO 5 N 3.34 2.33 -0.85 1.78 -0.02 -1.26 -4.70 135.00 135.62 2i9s n PRO 5 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 2i9s n PRO 5 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.85 2i9s n PRO 5 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2i9s n GLU 6 N 0.00 0.00 -0.07 -0.52 1.02 -1.26 -4.93 120.64 114.87 2i9s n GLU 6 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.12 2i9s n GLU 6 Cb 0.00 -2.50 0.24 0.00 -0.02 0.00 0.00 31.44 29.15 2i9s n GLU 6 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2i9s h SER 7 N 0.00 0.65 -0.27 1.62 4.64 -1.96 0.24 113.55 118.48 2i9s h SER 7 Ca 0.00 -0.12 0.06 0.00 -0.47 0.00 0.00 61.79 61.26 2i9s h SER 7 Cb 0.00 -0.17 -0.06 0.00 -0.31 0.00 0.00 62.40 61.86 2i9s h SER 7 CO 0.00 0.68 -0.10 0.40 -0.87 0.00 0.00 176.83 176.93 2i9s h ILE 8 N 0.67 0.65 0.01 0.95 1.08 -1.97 -0.00 117.51 118.89 2i9s h ILE 8 Ca 0.15 0.00 -0.28 0.00 -0.39 0.00 0.00 64.86 64.33 2i9s h ILE 8 Cb 0.31 0.65 -0.04 0.00 -3.07 0.00 0.00 36.82 34.67 2i9s h ILE 8 CO 0.00 0.00 -1.60 0.17 -0.69 0.00 0.00 178.15 176.04 2i9s h LEU 9 N -0.05 0.03 0.00 1.44 8.10 -1.61 -1.11 115.31 122.11 2i9s h LEU 9 Ca 0.14 -0.05 0.00 0.00 0.11 0.00 0.00 57.88 58.07 2i9s h LEU 9 Cb 0.26 -0.01 0.00 0.00 -0.44 0.00 0.00 40.66 40.47 2i9s h LEU 9 CO -0.31 1.05 -0.22 0.11 -4.11 0.00 0.00 178.44 174.96 2i9s h LYS 10 N 0.00 0.00 0.00 0.17 1.57 -0.44 -1.46 116.57 116.42 2i9s h LYS 10 Ca -0.24 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.17 2i9s h LYS 10 Cb 1.98 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 34.22 2i9s h LYS 10 CO 0.09 0.00 -2.39 -0.12 -0.57 0.00 0.00 179.45 176.46 2i9s n MET 11 N -2.57 0.68 -0.03 3.15 1.56 -0.02 -4.81 117.12 115.07 2i9s n MET 11 Ca 0.04 0.10 -0.01 0.00 -0.27 0.00 0.00 57.70 57.57 2i9s n MET 11 Cb 0.48 -1.50 -0.07 0.00 2.15 0.00 0.00 33.22 34.29 2i9s n MET 11 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 2i9s n THR 12 N -3.08 0.34 -3.16 1.12 -2.24 -0.42 -5.02 114.28 101.82 2i9s n THR 12 Ca -0.40 -0.30 0.04 0.00 -2.27 0.00 0.00 64.05 61.12 2i9s n THR 12 Cb 1.01 -0.34 -0.01 0.00 -2.10 0.00 0.00 70.33 68.89 2i9s n THR 12 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2i9s s LYS 13 N -2.38 0.43 0.00 -0.78 -2.85 -0.56 -5.01 119.74 108.59 2i9s s LYS 13 Ca -0.04 0.78 0.26 0.00 -1.00 0.00 0.00 55.97 55.97 2i9s s LYS 13 Cb 0.04 0.43 1.27 0.00 -2.06 0.00 0.00 37.83 37.51 2i9s s LYS 13 CO 0.36 -0.46 1.88 1.17 0.10 0.00 0.00 175.35 178.39 2i9s n LYS 14 N 5.44 0.27 -3.05 1.78 4.81 -1.17 -3.86 118.16 122.38 2i9s n LYS 14 Ca -0.03 0.04 -0.26 0.00 -0.87 0.00 0.00 58.31 57.19 2i9s n LYS 14 Cb 0.52 -1.50 -0.04 0.00 0.02 0.00 0.00 35.03 34.02 2i9s n LYS 14 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2i9s n GLY 15 N 1.02 5.16 3.02 3.14 0.00 -1.24 -3.14 105.19 113.14 2i9s n GLY 15 Ca 0.11 -2.60 -0.31 0.00 0.00 0.00 0.00 46.02 43.21 2i9s n GLY 15 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2i9s s LYS 16 N -3.14 2.09 0.06 1.61 2.47 -1.23 -4.80 119.74 116.80 2i9s s LYS 16 Ca 0.46 -1.01 -0.31 0.00 -1.56 0.00 0.00 55.97 53.55 2i9s s LYS 16 Cb 0.27 -2.59 -0.08 0.00 -1.46 0.00 0.00 37.83 33.97 2i9s s LYS 16 CO -0.11 -0.48 1.60 0.99 0.16 0.00 0.00 175.35 177.50 2i9s s THR 17 N 1.30 3.13 -0.25 3.43 2.01 -1.16 -3.29 115.64 120.81 2i9s s THR 17 Ca -0.04 0.59 0.01 0.00 0.31 0.00 0.00 61.69 62.57 2i9s s THR 17 Cb -0.17 -3.38 0.06 0.00 0.01 0.00 0.00 72.50 69.02 2i9s s THR 17 CO -0.07 0.00 -0.05 -0.22 -0.69 0.00 0.00 174.62 173.59 2i9s s LEU 18 N 2.47 2.82 -0.53 4.42 1.98 -0.07 -4.98 118.68 124.79 2i9s s LEU 18 Ca 0.72 -1.28 -0.18 0.00 -2.89 0.00 0.00 54.13 50.50 2i9s s LEU 18 Cb -0.39 -1.25 0.09 0.00 0.66 0.00 0.00 46.19 45.30 2i9s s LEU 18 CO 0.31 -0.24 0.58 0.00 -1.89 0.00 0.00 176.35 175.10 2i9s s MET 19 N 1.33 3.05 -0.09 1.98 0.23 -1.26 -1.39 119.30 123.15 2i9s s MET 19 Ca -0.05 -1.25 0.02 0.00 -1.03 0.00 0.00 55.69 53.39 2i9s s MET 19 Cb -0.19 -4.19 -0.02 0.00 -1.53 0.00 0.00 34.83 28.90 2i9s s MET 19 CO -0.07 -1.29 -0.15 0.00 -2.03 0.00 0.00 175.02 171.49 2i9s s MET 20 N 2.26 2.89 -0.30 3.16 0.00 -0.68 -3.42 119.30 123.21 2i9s s MET 20 Ca 0.10 -0.71 -0.14 0.00 0.00 0.00 0.00 55.69 54.93 2i9s s MET 20 Cb -0.23 -2.46 -0.03 0.00 0.00 0.00 0.00 34.83 32.10 2i9s s MET 20 CO 0.08 0.42 0.31 0.12 0.00 0.00 0.00 175.02 175.95 2i9s s PHE 21 N -0.20 3.23 -0.13 3.16 2.19 0.15 -1.77 117.98 124.61 2i9s s PHE 21 Ca 0.00 0.18 0.02 0.00 0.33 0.00 0.00 56.93 57.46 2i9s s PHE 21 Cb -0.13 -2.54 0.01 0.00 -1.31 0.00 0.00 43.02 39.05 2i9s s PHE 21 CO 0.03 -0.27 -0.18 0.54 1.83 0.00 0.00 175.22 177.17 2i9s s VAL 22 N 1.96 1.78 -0.23 3.12 0.11 -0.08 -0.95 120.40 126.10 2i9s s VAL 22 Ca 0.12 -0.80 -0.21 0.00 -2.93 0.00 0.00 61.98 58.15 2i9s s VAL 22 Cb -0.16 -1.60 -0.02 0.00 -1.53 0.00 0.00 36.38 33.07 2i9s s VAL 22 CO 0.11 0.50 0.66 -0.89 -3.33 0.00 0.00 175.10 172.14 2i9s s THR 23 N 0.98 4.98 -0.14 5.04 2.01 0.23 -1.51 115.64 127.22 2i9s s THR 23 Ca -0.05 1.21 -0.02 0.00 0.31 0.00 0.00 61.69 63.14 2i9s s THR 23 Cb -0.15 -3.96 -0.02 0.00 0.01 0.00 0.00 72.50 68.37 2i9s s THR 23 CO -0.03 0.05 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.18 2i9s s VAL 24 N 2.32 3.57 0.00 3.82 1.01 0.62 -1.46 120.40 130.28 2i9s s VAL 24 Ca 0.28 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.79 2i9s s VAL 24 Cb -0.16 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.69 2i9s s VAL 24 CO 0.09 0.51 0.19 -1.20 0.00 0.00 0.00 175.10 174.69 2i9s n SER 25 N 3.45 0.37 -0.28 3.32 7.64 -1.26 -4.39 113.62 122.47 2i9s n SER 25 Ca -0.18 -0.68 0.10 0.00 1.01 0.00 0.00 58.87 59.13 2i9s n SER 25 Cb 0.53 0.53 0.25 0.00 -1.01 0.00 0.00 64.21 64.50 2i9s n SER 25 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2i9s h GLY 26 N 0.00 1.25 -3.89 0.23 0.00 -1.90 -3.40 103.07 95.36 2i9s h GLY 26 Ca 0.00 -0.05 -0.58 0.00 0.00 0.00 0.00 47.33 46.69 2i9s h GLY 26 CO 0.00 -0.29 -0.58 -1.31 0.00 0.00 0.00 176.54 174.37 2i9s s ASN 27 N -5.17 5.46 -0.47 0.19 -0.87 -1.26 -5.04 114.94 107.78 2i9s s ASN 27 Ca -0.12 -0.13 0.03 0.00 -1.57 0.00 0.00 52.86 51.06 2i9s s ASN 27 Cb 0.24 -1.41 0.45 0.00 -0.02 0.00 0.00 41.25 40.51 2i9s s ASN 27 CO 0.77 0.09 1.56 -0.81 -2.57 0.00 0.00 177.10 176.14 2i9s n PRO 28 N -0.21 3.20 0.00 -0.60 -0.04 -1.26 -4.70 135.00 131.39 2i9s n PRO 28 Ca -0.08 -3.80 0.00 0.00 -0.04 0.00 0.00 63.50 59.57 2i9s n PRO 28 Cb 0.54 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 2i9s n PRO 28 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2i9s n THR 29 N -0.78 0.00 -1.49 0.52 -2.24 -1.26 -4.96 114.28 104.07 2i9s n THR 29 Ca 0.52 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.30 2i9s n THR 29 Cb 0.80 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 2i9s n THR 29 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2i9s n GLU 30 N 0.00 0.00 0.01 -0.78 2.13 -1.14 -4.12 120.64 116.74 2i9s n GLU 30 Ca 0.00 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.72 2i9s n GLU 30 Cb 0.00 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 31.57 2i9s n GLU 30 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2i9s h LYS 31 N 0.00 0.06 -0.09 5.31 3.11 -1.97 0.03 116.57 123.03 2i9s h LYS 31 Ca 0.00 -0.10 -0.12 0.00 -2.81 0.00 0.00 60.65 57.62 2i9s h LYS 31 Cb 0.64 0.04 0.01 0.00 -1.00 0.00 0.00 32.23 31.91 2i9s h LYS 31 CO 0.00 0.77 -0.41 1.49 -2.81 0.00 0.00 179.45 178.49 2i9s h GLU 32 N 0.02 0.43 -0.77 1.90 4.57 -1.93 -1.83 114.58 116.97 2i9s h GLU 32 Ca -0.22 -0.35 0.15 0.00 -1.18 0.00 0.00 59.36 57.76 2i9s h GLU 32 Cb 1.96 0.07 -0.14 0.00 -0.16 0.00 0.00 28.75 30.48 2i9s h GLU 32 CO 0.11 0.98 -0.24 1.15 -1.18 0.00 0.00 179.01 179.83 2i9s h THR 33 N -0.02 0.19 0.20 0.32 2.02 -1.77 0.21 112.91 114.06 2i9s h THR 33 Ca -0.03 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 2i9s h THR 33 Cb 1.06 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 2i9s h THR 33 CO 0.08 0.00 -0.09 1.05 0.37 0.00 0.00 175.52 176.93 2i9s h GLU 34 N -0.03 -0.26 0.37 6.66 4.11 -0.63 0.88 114.58 125.68 2i9s h GLU 34 Ca 0.35 0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.79 2i9s h GLU 34 Cb 0.57 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 2i9s h GLU 34 CO -0.80 -0.04 -0.52 1.49 0.07 0.00 0.00 179.01 179.21 2i9s h GLU 35 N -0.43 -0.90 -0.49 1.06 4.57 -1.03 -1.52 114.58 115.84 2i9s h GLU 35 Ca -0.03 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 2i9s h GLU 35 Cb 0.33 0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 29.10 2i9s h GLU 35 CO 0.04 -0.60 0.31 0.82 -1.18 0.00 0.00 179.01 178.41 2i9s h ILE 36 N -0.93 1.14 -0.21 2.32 2.04 -0.59 -1.64 117.51 119.64 2i9s h ILE 36 Ca -0.04 -0.28 -0.12 0.00 1.00 0.00 0.00 64.86 65.42 2i9s h ILE 36 Cb 0.84 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 2i9s h ILE 36 CO -0.14 0.14 -0.36 0.71 0.00 0.00 0.00 178.15 178.49 2i9s h THR 37 N 0.66 1.29 0.10 -0.27 1.35 0.10 0.85 112.91 117.00 2i9s h THR 37 Ca 0.18 -1.48 -0.00 0.00 -0.55 0.00 0.00 66.41 64.56 2i9s h THR 37 Cb -0.04 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 2i9s h THR 37 CO -0.04 0.46 -0.05 0.28 -0.25 0.00 0.00 175.52 175.93 2i9s h SER 38 N 0.38 -0.11 -0.19 5.36 0.02 -1.01 0.10 113.55 118.10 2i9s h SER 38 Ca 0.04 -0.13 -0.14 0.00 -0.84 0.00 0.00 61.79 60.72 2i9s h SER 38 Cb 0.82 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.39 2i9s h SER 38 CO 0.07 0.06 -0.41 -0.07 -1.14 0.00 0.00 176.83 175.34 2i9s h LEU 39 N -0.28 0.68 0.00 5.07 4.07 -0.81 -0.61 115.31 123.43 2i9s h LEU 39 Ca -0.01 -0.56 0.00 0.00 0.08 0.00 0.00 57.88 57.39 2i9s h LEU 39 Cb 0.24 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.78 2i9s h LEU 39 CO 0.02 1.12 0.00 0.79 -1.08 0.00 0.00 178.44 179.29 2i9s n TRP 40 N -4.24 0.00 0.28 1.13 7.02 0.29 -1.29 117.44 120.63 2i9s n TRP 40 Ca -0.06 0.00 0.16 0.00 -1.02 0.00 0.00 57.50 56.58 2i9s n TRP 40 Cb 0.54 -0.17 0.60 0.00 -2.42 0.00 0.00 31.31 29.86 2i9s n TRP 40 CO 0.00 0.00 0.00 -0.56 -2.02 0.00 0.00 177.69 175.11 2i9s h GLN 41 N 0.00 0.00 0.17 -0.99 -0.00 -0.95 0.26 115.11 113.60 2i9s h GLN 41 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.64 2i9s h GLN 41 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 2i9s h GLN 41 CO 0.00 0.00 -0.08 0.78 -0.00 0.00 0.00 178.83 179.53 2i9s h GLY 42 N 2.37 -0.24 2.00 0.06 0.00 -0.95 -1.04 103.07 105.27 2i9s h GLY 42 Ca 0.00 0.09 -0.07 0.00 0.00 0.00 0.00 47.33 47.35 2i9s h GLY 42 CO 0.00 -0.09 -0.33 0.23 0.00 0.00 0.00 176.54 176.35 2i9s h SER 43 N -0.31 0.00 -0.29 0.19 0.87 -0.11 0.17 113.55 114.07 2i9s h SER 43 Ca -0.02 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.50 2i9s h SER 43 Cb 0.24 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 2i9s h SER 43 CO 0.04 0.33 0.08 -0.07 -0.53 0.00 0.00 176.83 176.68 2i9s h LEU 44 N 0.00 0.49 0.00 2.23 3.38 -0.16 -0.36 115.31 120.89 2i9s h LEU 44 Ca -0.00 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.77 2i9s h LEU 44 Cb 0.88 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 2i9s h LEU 44 CO 0.04 0.50 -1.41 0.33 0.09 0.00 0.00 178.44 177.99 2i9s n PHE 45 N -4.34 0.87 0.13 1.13 7.35 -0.43 -2.53 117.46 119.65 2i9s n PHE 45 Ca 0.02 0.28 0.00 0.00 -0.76 0.00 0.00 57.45 57.00 2i9s n PHE 45 Cb 0.19 -1.02 0.31 0.00 0.35 0.00 0.00 39.48 39.30 2i9s n PHE 45 CO 0.00 0.00 0.00 -0.97 -0.76 0.00 0.00 176.76 175.03 2i9s h ASN 46 N 0.00 0.17 -0.36 -2.13 -1.24 0.09 -0.87 115.58 111.25 2i9s h ASN 46 Ca -0.14 -0.06 0.00 0.00 0.71 0.00 0.00 56.30 56.81 2i9s h ASN 46 Cb 1.46 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 40.46 2i9s h ASN 46 CO 0.03 0.49 0.00 0.00 -1.29 0.00 0.00 177.43 176.66 2i9s n ALA 47 N -2.48 2.43 -3.91 1.57 0.00 -0.22 -4.98 120.51 112.93 2i9s n ALA 47 Ca -0.01 -0.92 -0.32 0.00 0.00 0.00 0.00 53.44 52.18 2i9s n ALA 47 Cb 0.40 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.94 2i9s n ALA 47 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2i9s n ASN 48 N 1.32 -2.69 0.00 0.00 5.15 -0.33 -4.89 115.26 113.82 2i9s n ASN 48 Ca 0.19 -1.09 0.05 0.00 -0.60 0.00 0.00 54.58 53.13 2i9s n ASN 48 Cb 0.57 -2.78 0.30 0.00 -0.53 0.00 0.00 39.78 37.33 2i9s n ASN 48 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2i9s n TYR 49 N -4.47 0.00 -3.20 1.20 4.01 -1.05 -4.91 117.16 108.74 2i9s n TYR 49 Ca -0.20 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.49 2i9s n TYR 49 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.66 2i9s n TYR 49 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2i9s n ASP 50 N -0.92 -7.24 -3.49 7.72 2.03 -1.26 -4.87 116.55 108.52 2i9s n ASP 50 Ca 0.08 -0.26 -0.14 0.00 0.52 0.00 0.00 54.79 54.99 2i9s n ASP 50 Cb 0.03 -4.68 -0.05 0.00 -0.72 0.00 0.00 41.12 35.71 2i9s n ASP 50 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2i9s s VAL 51 N -3.02 0.00 -0.06 5.18 -7.23 -1.26 -4.07 120.40 109.94 2i9s s VAL 51 Ca 0.02 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 58.57 2i9s s VAL 51 Cb -0.01 -2.54 0.02 0.00 0.56 0.00 0.00 36.38 34.42 2i9s s VAL 51 CO 0.78 0.00 -0.04 -1.58 -0.31 0.00 0.00 175.10 173.94 2i9s s GLN 52 N -3.37 0.90 -0.00 4.82 0.74 0.05 -5.00 119.66 117.80 2i9s s GLN 52 Ca 0.30 -0.09 0.02 0.00 0.05 0.00 0.00 55.36 55.65 2i9s s GLN 52 Cb 0.00 -0.99 -0.01 0.00 1.10 0.00 0.00 33.01 33.12 2i9s s GLN 52 CO 0.18 -0.15 -0.07 1.03 -0.55 0.00 0.00 175.29 175.73 2i9s s ARG 53 N 1.24 0.56 0.08 1.67 3.00 -1.26 -0.28 118.95 123.96 2i9s s ARG 53 Ca -0.06 -0.29 0.03 0.00 0.00 0.00 0.00 55.73 55.42 2i9s s ARG 53 Cb -0.14 -0.53 -0.03 0.00 0.00 0.00 0.00 34.95 34.25 2i9s s ARG 53 CO -0.02 0.14 -0.10 -0.06 0.00 0.00 0.00 175.30 175.27 2i9s s PHE 54 N -0.25 0.95 -0.41 -0.53 0.08 -0.81 -4.91 117.98 112.10 2i9s s PHE 54 Ca 0.02 -0.60 -0.24 0.00 0.12 0.00 0.00 56.93 56.23 2i9s s PHE 54 Cb -0.03 -0.54 0.02 0.00 -0.57 0.00 0.00 43.02 41.90 2i9s s PHE 54 CO -0.00 -0.03 0.85 0.42 -0.10 0.00 0.00 175.22 176.35 2i9s s ILE 55 N -2.01 4.62 0.00 0.64 1.01 -1.26 -0.53 121.20 123.67 2i9s s ILE 55 Ca -0.00 0.81 0.00 0.00 0.00 0.00 0.00 60.65 61.46 2i9s s ILE 55 Cb -0.06 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 38.10 2i9s s ILE 55 CO 0.00 -0.61 0.00 1.33 0.00 0.00 0.00 174.94 175.66 2i9s n VAL 56 N 6.05 0.00 -4.28 2.92 0.24 -0.91 -5.01 118.33 117.34 2i9s n VAL 56 Ca 0.04 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.17 2i9s n VAL 56 Cb 0.48 -0.25 -0.09 0.00 -1.47 0.00 0.00 33.84 32.51 2i9s n VAL 56 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2i9s s GLY 57 N -1.66 1.98 0.00 7.63 0.00 -0.37 -4.95 107.32 109.94 2i9s s GLY 57 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 44.72 42.88 2i9s s GLY 57 CO 0.00 -1.50 0.90 1.44 0.00 0.00 0.00 173.10 173.94 2i9s n SER 58 N -0.95 0.00 -3.20 1.64 7.64 -1.26 -1.53 113.62 115.96 2i9s n SER 58 Ca 0.03 0.90 -0.25 0.00 1.01 0.00 0.00 58.87 60.56 2i9s n SER 58 Cb 0.64 -0.42 -0.06 0.00 -1.01 0.00 0.00 64.21 63.36 2i9s n SER 58 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2i9s n ASP 59 N -2.73 2.89 -3.97 6.43 8.00 -1.26 -2.91 116.55 123.00 2i9s n ASP 59 Ca 0.00 -3.32 -0.18 0.00 0.71 0.00 0.00 54.79 52.00 2i9s n ASP 59 Cb 0.00 -0.62 -0.15 0.00 -0.02 0.00 0.00 41.12 40.32 2i9s n ASP 59 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2i9s s ARG 60 N -2.53 0.69 0.25 -1.24 3.00 -0.58 -0.28 118.95 118.25 2i9s s ARG 60 Ca 0.42 -0.23 0.01 0.00 0.00 0.00 0.00 55.73 55.93 2i9s s ARG 60 Cb 0.22 -0.67 -0.05 0.00 0.00 0.00 0.00 34.95 34.45 2i9s s ARG 60 CO -0.08 0.09 0.09 0.00 0.00 0.00 0.00 175.30 175.41 2i9s s ALA 61 N 0.13 1.69 0.08 2.13 0.00 -0.57 -1.24 121.76 123.98 2i9s s ALA 61 Ca -0.02 -1.85 0.01 0.00 0.00 0.00 0.00 51.96 50.11 2i9s s ALA 61 Cb -0.06 1.02 -0.04 0.00 0.00 0.00 0.00 23.12 24.04 2i9s s ALA 61 CO -0.00 -0.45 -0.06 0.96 0.00 0.00 0.00 175.76 176.21 2i9s s ILE 62 N -3.76 0.58 -0.24 0.00 -4.36 0.31 -0.90 121.20 112.83 2i9s s ILE 62 Ca 0.37 -1.71 0.01 0.00 -0.26 0.00 0.00 60.65 59.06 2i9s s ILE 62 Cb 0.08 -1.40 0.06 0.00 1.25 0.00 0.00 42.46 42.45 2i9s s ILE 62 CO 0.13 -0.78 -0.04 0.72 0.24 0.00 0.00 174.94 175.21 2i9s s PHE 63 N -3.14 2.40 -0.48 1.37 -0.71 -0.73 -1.93 117.98 114.77 2i9s s PHE 63 Ca 0.06 -1.78 -0.16 0.00 -1.04 0.00 0.00 56.93 54.01 2i9s s PHE 63 Cb 0.02 -1.62 0.08 0.00 -1.21 0.00 0.00 43.02 40.29 2i9s s PHE 63 CO -0.04 -0.78 0.41 1.41 -1.34 0.00 0.00 175.22 174.87 2i9s s MET 64 N 1.39 2.98 0.01 1.99 1.75 0.61 -1.69 119.30 126.35 2i9s s MET 64 Ca -0.05 -1.40 -0.02 0.00 -1.25 0.00 0.00 55.69 52.97 2i9s s MET 64 Cb -0.19 -4.15 -0.04 0.00 2.84 0.00 0.00 34.83 33.29 2i9s s MET 64 CO -0.07 -1.07 0.20 -0.48 -0.65 0.00 0.00 175.02 172.95 2i9s s LEU 65 N 1.63 4.37 -0.02 4.11 -0.00 -0.48 -0.77 118.68 127.52 2i9s s LEU 65 Ca 0.04 0.34 -0.02 0.00 -0.00 0.00 0.00 54.13 54.50 2i9s s LEU 65 Cb -0.25 -2.73 -0.01 0.00 -0.00 0.00 0.00 46.19 43.21 2i9s s LEU 65 CO 0.06 0.23 -0.04 -1.14 -0.00 0.00 0.00 176.35 175.47 2i9s n ARG 66 N 0.76 0.05 -0.04 1.48 0.63 -1.26 -0.89 116.66 117.40 2i9s n ARG 66 Ca -0.09 0.02 0.23 0.00 -0.92 0.00 0.00 57.85 57.09 2i9s n ARG 66 Cb 0.52 -0.49 0.51 0.00 0.45 0.00 0.00 32.46 33.45 2i9s n ARG 66 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 2i9s h ASP 67 N -0.10 0.00 -0.12 6.15 3.58 -1.88 -3.07 116.42 120.98 2i9s h ASP 67 Ca 0.00 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.40 2i9s h ASP 67 Cb 0.10 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 2i9s h ASP 67 CO 0.00 0.00 -0.05 0.61 -2.88 0.00 0.00 179.24 176.92 2i9s n GLY 68 N -1.60 0.47 1.02 -0.78 0.00 -1.21 -3.52 105.19 99.57 2i9s n GLY 68 Ca 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 2i9s n GLY 68 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2i9s n SER 69 N -0.33 2.43 0.00 1.61 2.88 -1.19 -4.07 113.62 114.95 2i9s n SER 69 Ca -0.02 -3.74 0.00 0.00 -1.33 0.00 0.00 58.87 53.77 2i9s n SER 69 Cb 0.28 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.27 2i9s n SER 69 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2i9s n TYR 70 N -0.93 0.00 0.00 0.66 4.11 -1.26 -5.09 117.16 114.64 2i9s n TYR 70 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.14 2i9s n TYR 70 Cb 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 40.12 2i9s n TYR 70 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2i9s n ALA 71 N -0.19 0.00 0.86 -3.48 0.00 -1.26 -4.89 120.51 111.55 2i9s n ALA 71 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2i9s n ALA 71 Cb 0.00 0.00 0.46 0.00 0.00 0.00 0.00 19.45 19.91 2i9s n ALA 71 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2i9s n TRP 72 N 0.00 0.30 0.03 0.00 8.01 -1.26 -1.09 117.44 123.43 2i9s n TRP 72 Ca 0.00 0.09 -0.13 0.00 -1.31 0.00 0.00 57.50 56.14 2i9s n TRP 72 Cb 0.00 -0.59 -0.02 0.00 -2.01 0.00 0.00 31.31 28.69 2i9s n TRP 72 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.69 178.17 2i9s h GLU 73 N 0.00 0.53 -0.53 -0.99 4.81 -1.96 -1.76 114.58 114.68 2i9s h GLU 73 Ca 0.00 -0.47 0.07 0.00 -0.13 0.00 0.00 59.36 58.83 2i9s h GLU 73 Cb 0.59 0.11 -0.06 0.00 0.63 0.00 0.00 28.75 30.01 2i9s h GLU 73 CO 0.00 1.10 0.20 0.82 -0.73 0.00 0.00 179.01 180.40 2i9s h ILE 74 N 0.35 0.83 -0.25 2.32 2.04 -1.53 -1.56 117.51 119.70 2i9s h ILE 74 Ca -0.05 -0.13 0.04 0.00 1.00 0.00 0.00 64.86 65.71 2i9s h ILE 74 Cb 1.41 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 2i9s h ILE 74 CO 0.15 0.07 0.03 0.50 0.00 0.00 0.00 178.15 178.90 2i9s h LYS 75 N 0.38 0.12 -0.33 2.37 3.11 -0.99 -1.78 116.57 119.45 2i9s h LYS 75 Ca 0.25 -0.01 0.02 0.00 -2.81 0.00 0.00 60.65 58.11 2i9s h LYS 75 Cb 0.27 -0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 31.45 2i9s h LYS 75 CO -0.25 0.08 0.16 0.22 -2.81 0.00 0.00 179.45 176.84 2i9s h ASP 76 N 0.12 0.23 -0.13 4.20 1.82 -0.95 -1.99 116.42 119.71 2i9s h ASP 76 Ca 0.12 0.02 0.05 0.00 -0.39 0.00 0.00 57.03 56.82 2i9s h ASP 76 Cb 0.13 -0.02 -0.06 0.00 0.68 0.00 0.00 39.33 40.06 2i9s h ASP 76 CO -0.17 0.17 -0.26 -0.26 -1.61 0.00 0.00 179.24 177.11 2i9s h PHE 77 N 0.33 -0.69 0.50 0.28 0.04 -0.53 -0.65 116.94 116.23 2i9s h PHE 77 Ca 0.14 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.91 2i9s h PHE 77 Cb 0.06 0.32 0.00 0.00 2.20 0.00 0.00 35.95 38.54 2i9s h PHE 77 CO -0.10 -0.34 -0.24 -0.07 -0.60 0.00 0.00 178.31 176.96 2i9s h LEU 78 N -0.32 -0.57 0.00 1.54 3.38 -1.04 0.96 115.31 119.25 2i9s h LEU 78 Ca 0.10 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2i9s h LEU 78 Cb 0.47 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2i9s h LEU 78 CO -0.31 -0.39 0.00 1.33 0.09 0.00 0.00 178.44 179.15 2i9s n VAL 79 N -5.37 0.10 0.17 1.22 0.24 -0.78 0.59 118.33 114.50 2i9s n VAL 79 Ca -0.12 0.02 0.07 0.00 -2.04 0.00 0.00 64.34 62.27 2i9s n VAL 79 Cb 0.29 -0.57 0.13 0.00 -1.47 0.00 0.00 33.84 32.22 2i9s n VAL 79 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2i9s n SER 80 N -1.29 2.66 0.02 -1.34 7.64 -0.26 -4.53 113.62 116.53 2i9s n SER 80 Ca 0.13 -1.79 -0.20 0.00 1.01 0.00 0.00 58.87 58.02 2i9s n SER 80 Cb 0.22 -0.15 -0.14 0.00 -1.01 0.00 0.00 64.21 63.13 2i9s n SER 80 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 2i9s h GLN 81 N 2.62 0.24 0.00 1.43 5.75 0.65 -3.49 115.11 122.31 2i9s h GLN 81 Ca 0.00 -0.41 0.00 0.00 -0.15 0.00 0.00 58.65 58.09 2i9s h GLN 81 Cb 0.68 0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.39 2i9s h GLN 81 CO 0.00 1.20 0.00 -0.40 -2.65 0.00 0.00 178.83 176.98 2i9s n ASP 82 N -4.13 0.00 -4.72 -0.69 5.75 -0.90 -5.06 116.55 106.80 2i9s n ASP 82 Ca -0.18 0.00 -0.38 0.00 -0.01 0.00 0.00 54.79 54.22 2i9s n ASP 82 Cb 0.81 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.84 2i9s n ASP 82 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2i9s s ARG 83 N 0.41 4.35 0.01 0.11 1.81 -1.26 -4.94 118.95 119.43 2i9s s ARG 83 Ca 0.00 0.50 -0.16 0.00 -1.72 0.00 0.00 55.73 54.35 2i9s s ARG 83 Cb 0.00 -3.44 0.03 0.00 -0.45 0.00 0.00 34.95 31.08 2i9s s ARG 83 CO 0.00 0.13 0.34 0.00 -0.68 0.00 0.00 175.30 175.10 2i9s n ALA 85 N 0.93 0.52 -3.68 0.00 0.00 -0.54 -4.35 120.51 113.39 2i9s n ALA 85 Ca -0.20 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.15 2i9s n ALA 85 Cb 0.58 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.93 2i9s n ALA 85 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2i9s s GLU 86 N -1.00 0.50 -0.40 0.00 2.12 -0.62 -5.01 118.70 114.29 2i9s s GLU 86 Ca 0.00 0.93 0.01 0.00 0.36 0.00 0.00 54.97 56.28 2i9s s GLU 86 Cb 0.00 0.03 0.11 0.00 0.26 0.00 0.00 34.13 34.53 2i9s s GLU 86 CO 0.00 -0.16 0.15 0.08 -0.54 0.00 0.00 175.26 174.79 2i9s s VAL 87 N 1.49 2.72 -0.15 3.70 1.01 -1.26 0.74 120.40 128.64 2i9s s VAL 87 Ca -0.10 -2.40 -0.08 0.00 0.00 0.00 0.00 61.98 59.40 2i9s s VAL 87 Cb -0.07 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 2i9s s VAL 87 CO -0.15 -0.67 0.14 0.42 0.00 0.00 0.00 175.10 174.84 2i9s s THR 88 N 0.78 5.47 0.18 3.92 -4.23 -0.12 -4.98 115.64 116.65 2i9s s THR 88 Ca 0.11 0.20 0.06 0.00 -1.18 0.00 0.00 61.69 60.89 2i9s s THR 88 Cb -0.21 -3.43 -0.04 0.00 1.34 0.00 0.00 72.50 70.16 2i9s s THR 88 CO -0.06 0.55 0.08 -0.76 -0.54 0.00 0.00 174.62 173.89 2i9s s LEU 89 N -0.49 3.58 0.29 4.79 1.43 -1.26 -0.67 118.68 126.35 2i9s s LEU 89 Ca 0.12 -0.27 -0.23 0.00 -1.03 0.00 0.00 54.13 52.73 2i9s s LEU 89 Cb -0.12 -2.20 -0.09 0.00 0.03 0.00 0.00 46.19 43.81 2i9s s LEU 89 CO 0.02 0.07 0.86 -0.70 0.23 0.00 0.00 176.35 176.83 2i9s s GLU 90 N -3.10 4.43 -0.10 1.70 -6.30 -1.22 -4.79 118.70 109.33 2i9s s GLU 90 Ca 0.30 1.14 -0.33 0.00 -2.50 0.00 0.00 54.97 53.58 2i9s s GLU 90 Cb -0.09 -2.78 0.15 0.00 0.00 0.00 0.00 34.13 31.40 2i9s s GLU 90 CO 0.21 0.30 1.44 0.20 0.02 0.00 0.00 175.26 177.44 2i9s s GLY 91 N -1.68 -0.50 -0.49 -1.50 0.00 -1.26 -4.82 107.32 97.06 2i9s s GLY 91 Ca 0.48 0.96 -0.28 0.00 0.00 0.00 0.00 44.72 45.88 2i9s s GLY 91 CO 0.22 0.32 1.08 1.62 0.00 0.00 0.00 173.10 176.34 2i9s s GLN 92 N -2.01 3.62 -1.19 2.90 0.74 -1.26 -3.31 119.66 119.15 2i9s s GLN 92 Ca 0.15 0.37 -0.09 0.00 0.05 0.00 0.00 55.36 55.84 2i9s s GLN 92 Cb 0.08 -3.94 -0.02 0.00 1.10 0.00 0.00 33.01 30.23 2i9s s GLN 92 CO -0.07 -1.39 0.78 -0.12 -0.55 0.00 0.00 175.29 173.94 2i9s n MET 93 N 7.73 -3.04 -1.69 1.67 0.00 -1.26 -4.85 117.12 115.69 2i9s n MET 93 Ca 0.09 0.62 -0.44 0.00 0.00 0.00 0.00 57.70 57.98 2i9s n MET 93 Cb 0.49 -4.96 -0.03 0.00 0.00 0.00 0.00 33.22 28.71 2i9s n MET 93 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 175.97 176.95 2i9s n TYR 94 N -4.01 2.54 -2.36 1.12 4.19 -1.21 -4.90 117.16 112.53 2i9s n TYR 94 Ca -0.18 -0.05 -0.41 0.00 3.31 0.00 0.00 57.90 60.57 2i9s n TYR 94 Cb 0.64 -2.69 -0.03 0.00 0.49 0.00 0.00 39.34 37.75 2i9s n TYR 94 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 2i9s s PRO 95 N 2.51 3.13 0.00 2.98 0.04 -1.26 -3.78 135.00 138.63 2i9s s PRO 95 Ca 0.82 0.30 0.00 0.00 0.04 0.00 0.00 61.00 62.16 2i9s s PRO 95 Cb -0.54 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 29.80 2i9s s PRO 95 CO 0.39 -2.16 0.00 0.41 0.04 0.00 0.00 177.00 175.68 2i9s n GLY 96 N 5.38 0.00 0.00 0.56 0.00 -1.26 -5.05 105.19 104.82 2i9s n GLY 96 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2i9s n GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49