#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 0.00 -1.41 1.61 0.11 -2.02 -2.70 132.00 127.59 2i9s h PRO 2 Ca 0.00 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.92 2i9s h PRO 2 Cb 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.02 2i9s h PRO 2 CO 0.00 0.06 0.24 0.41 -0.21 0.00 0.00 178.00 178.50 2i9s n GLY 3 N -0.73 3.21 3.76 -0.55 0.00 -1.26 -4.35 105.19 105.27 2i9s n GLY 3 Ca -0.02 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.10 4.52 0.00 1.61 -2.85 -1.02 -4.93 119.74 115.97 2i9s s LYS 4 Ca 0.19 1.96 0.00 0.00 -1.00 0.00 0.00 55.97 57.12 2i9s s LYS 4 Cb 0.15 -3.15 0.00 0.00 -2.06 0.00 0.00 37.83 32.77 2i9s s LYS 4 CO 0.01 0.03 0.00 -2.30 0.10 0.00 0.00 175.35 173.20 2i9s n PRO 5 N 1.22 1.25 0.00 1.78 -0.02 -1.26 -4.13 135.00 133.83 2i9s n PRO 5 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2i9s n PRO 5 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.92 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 -1.65 -0.52 -0.58 -1.26 -4.89 120.64 111.74 2i9s n GLU 6 Ca 0.00 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.45 2i9s n GLU 6 Cb 0.00 -0.26 0.13 0.00 -0.57 0.00 0.00 31.44 30.74 2i9s n GLU 6 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2i9s s SER 7 N 0.00 3.65 -0.95 1.62 0.15 -1.26 -1.52 113.70 115.39 2i9s s SER 7 Ca 0.00 0.84 -0.10 0.00 0.70 0.00 0.00 55.95 57.39 2i9s s SER 7 Cb 0.00 -1.34 0.10 0.00 -1.71 0.00 0.00 66.02 63.07 2i9s s SER 7 CO 0.00 -2.45 0.25 0.00 1.20 0.00 0.00 173.24 172.24 2i9s n ILE 8 N -3.68 -0.11 -3.37 6.45 0.13 -1.25 -1.08 119.36 116.45 2i9s n ILE 8 Ca 0.08 -0.05 -0.11 0.00 -1.10 0.00 0.00 62.75 61.56 2i9s n ILE 8 Cb 0.60 -0.32 0.00 0.00 -0.84 0.00 0.00 39.64 39.09 2i9s n ILE 8 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2i9s n LEU 9 N -2.47 -4.72 -2.04 9.51 -0.00 -0.90 -0.70 117.00 115.68 2i9s n LEU 9 Ca 0.01 -0.47 -0.19 0.00 -0.00 0.00 0.00 56.01 55.37 2i9s n LEU 9 Cb 0.26 -2.63 -0.02 0.00 -0.00 0.00 0.00 43.42 41.04 2i9s n LEU 9 CO 0.49 -0.46 -0.23 2.29 -0.00 0.00 0.00 177.39 179.49 2i9s n LYS 10 N -2.24 -1.48 -2.12 1.47 2.85 -0.58 -0.33 118.16 115.73 2i9s n LYS 10 Ca -0.13 0.97 -0.17 0.00 -1.05 0.00 0.00 58.31 57.93 2i9s n LYS 10 Cb 0.58 -5.48 -0.03 0.00 -0.65 0.00 0.00 35.03 29.45 2i9s n LYS 10 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 177.40 177.23 2i9s n MET 11 N -2.76 -1.75 0.10 -1.58 0.00 0.12 -4.57 117.12 106.68 2i9s n MET 11 Ca -0.22 0.89 0.00 0.00 -0.00 0.00 0.00 57.70 58.37 2i9s n MET 11 Cb 0.66 -5.43 0.00 0.00 0.00 0.00 0.00 33.22 28.46 2i9s n MET 11 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 2i9s n THR 12 N -3.22 0.00 0.00 1.12 -1.04 -0.55 -5.05 114.28 105.54 2i9s n THR 12 Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 2i9s n THR 12 Cb 0.63 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.14 2i9s n THR 12 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2i9s n LYS 13 N -2.86 0.00 -3.72 -2.82 4.81 0.55 -4.97 118.16 109.15 2i9s n LYS 13 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.40 2i9s n LYS 13 Cb 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.04 2i9s n LYS 13 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 2i9s s LYS 14 N 0.00 1.16 0.00 1.64 -2.85 -1.24 -4.85 119.74 113.60 2i9s s LYS 14 Ca 0.00 -0.62 -0.01 0.00 -1.00 0.00 0.00 55.97 54.34 2i9s s LYS 14 Cb 0.00 0.41 -0.04 0.00 -2.06 0.00 0.00 37.83 36.14 2i9s s LYS 14 CO 0.00 -0.53 1.15 0.41 0.10 0.00 0.00 175.35 176.48 2i9s n GLY 15 N -0.44 1.48 3.74 0.59 0.00 -1.18 -3.37 105.19 105.99 2i9s n GLY 15 Ca -0.06 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 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 1.61 4.54 -0.04 1.61 2.47 -1.25 -4.44 119.74 124.24 2i9s s LYS 16 Ca 0.10 1.16 -0.24 0.00 -1.56 0.00 0.00 55.97 55.43 2i9s s LYS 16 Cb 0.05 -3.38 -0.04 0.00 -1.46 0.00 0.00 37.83 33.00 2i9s s LYS 16 CO 0.00 0.22 0.75 0.99 0.16 0.00 0.00 175.35 177.47 2i9s s THR 17 N 0.12 4.97 -0.09 3.43 2.01 -1.24 -2.46 115.64 122.40 2i9s s THR 17 Ca 0.41 1.55 0.00 0.00 0.31 0.00 0.00 61.69 63.97 2i9s s THR 17 Cb -0.21 -4.09 0.02 0.00 0.01 0.00 0.00 72.50 68.24 2i9s s THR 17 CO 0.24 0.26 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.60 2i9s s LEU 18 N 0.68 1.23 -0.52 4.42 1.43 -0.38 -4.95 118.68 120.60 2i9s s LEU 18 Ca 0.40 -0.24 -0.25 0.00 -1.03 0.00 0.00 54.13 53.00 2i9s s LEU 18 Cb -0.19 -0.72 0.03 0.00 0.03 0.00 0.00 46.19 45.35 2i9s s LEU 18 CO 0.20 -0.08 0.99 0.00 0.23 0.00 0.00 176.35 177.69 2i9s s MET 19 N 1.38 3.45 -0.57 1.70 0.23 -1.26 0.58 119.30 124.81 2i9s s MET 19 Ca -0.02 0.01 -0.23 0.00 -1.03 0.00 0.00 55.69 54.42 2i9s s MET 19 Cb -0.14 -4.00 0.05 0.00 -1.53 0.00 0.00 34.83 29.22 2i9s s MET 19 CO -0.04 -1.42 0.90 1.41 -2.03 0.00 0.00 175.02 173.84 2i9s s MET 20 N 4.08 3.25 -0.40 3.16 1.75 -0.57 -3.84 119.30 126.74 2i9s s MET 20 Ca 0.36 -0.49 -0.20 0.00 -1.25 0.00 0.00 55.69 54.11 2i9s s MET 20 Cb -0.11 -4.10 0.01 0.00 2.84 0.00 0.00 34.83 33.48 2i9s s MET 20 CO 0.23 -1.52 0.63 0.12 -0.65 0.00 0.00 175.02 173.83 2i9s s PHE 21 N 3.78 3.11 -0.05 4.11 2.19 -0.11 -1.48 117.98 129.53 2i9s s PHE 21 Ca 0.26 0.13 0.03 0.00 0.33 0.00 0.00 56.93 57.68 2i9s s PHE 21 Cb -0.15 -3.22 0.01 0.00 -1.31 0.00 0.00 43.02 38.35 2i9s s PHE 21 CO 0.16 -0.74 -0.12 0.54 1.83 0.00 0.00 175.22 176.89 2i9s s VAL 22 N 2.73 1.11 -0.04 3.12 0.11 -0.12 -0.26 120.40 127.05 2i9s s VAL 22 Ca 0.23 -0.50 -0.29 0.00 -2.93 0.00 0.00 61.98 58.49 2i9s s VAL 22 Cb -0.14 -0.99 -0.02 0.00 -1.53 0.00 0.00 36.38 33.69 2i9s s VAL 22 CO 0.17 0.34 0.97 -0.89 -3.33 0.00 0.00 175.10 172.36 2i9s s THR 23 N 0.40 4.85 -0.08 5.04 2.01 0.21 -0.93 115.64 127.14 2i9s s THR 23 Ca -0.09 2.02 0.01 0.00 0.31 0.00 0.00 61.69 63.93 2i9s s THR 23 Cb -0.13 -4.30 -0.03 0.00 0.01 0.00 0.00 72.50 68.05 2i9s s THR 23 CO 0.02 0.11 -0.08 0.54 -0.69 0.00 0.00 174.62 174.53 2i9s s VAL 24 N 1.35 3.61 0.00 3.82 0.11 -0.23 -1.43 120.40 127.63 2i9s s VAL 24 Ca 0.50 -0.50 0.00 0.00 -2.93 0.00 0.00 61.98 59.04 2i9s s VAL 24 Cb -0.20 -2.48 0.00 0.00 -1.53 0.00 0.00 36.38 32.17 2i9s s VAL 24 CO 0.24 0.58 0.00 -1.54 -3.33 0.00 0.00 175.10 171.05 2i9s n SER 25 N 2.45 0.00 0.00 3.54 3.41 -0.29 -4.16 113.62 118.56 2i9s n SER 25 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 2i9s n SER 25 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 2i9s n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2i9s n GLY 26 N 0.00 0.59 3.61 5.00 0.00 -1.26 -4.41 105.19 108.72 2i9s n GLY 26 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2i9s n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i9s s ASN 27 N 0.00 6.21 0.00 1.61 4.22 -1.26 -4.96 114.94 120.77 2i9s s ASN 27 Ca 0.00 0.24 -0.01 0.00 -2.14 0.00 0.00 52.86 50.95 2i9s s ASN 27 Cb 0.00 -2.19 -0.03 0.00 1.28 0.00 0.00 41.25 40.31 2i9s s ASN 27 CO 0.00 -0.14 1.58 -0.81 -2.04 0.00 0.00 177.10 175.69 2i9s n PRO 28 N 5.20 0.80 -3.86 3.55 -0.04 -1.26 -4.42 135.00 134.97 2i9s n PRO 28 Ca -0.10 -0.11 -0.23 0.00 -0.04 0.00 0.00 63.50 63.02 2i9s n PRO 28 Cb 0.51 -1.27 -0.05 0.00 -0.04 0.00 0.00 33.50 32.65 2i9s n PRO 28 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2i9s s THR 29 N 0.80 2.43 -0.68 0.52 -4.23 -1.26 -4.67 115.64 108.55 2i9s s THR 29 Ca 0.08 -1.53 0.25 0.00 -1.18 0.00 0.00 61.69 59.31 2i9s s THR 29 Cb 0.04 -2.96 0.25 0.00 1.34 0.00 0.00 72.50 71.17 2i9s s THR 29 CO 0.00 0.00 1.68 -0.08 -0.54 0.00 0.00 174.62 175.68 2i9s h GLU 30 N 1.21 0.00 -0.06 3.99 4.57 -1.93 -3.25 114.58 119.12 2i9s h GLU 30 Ca -0.42 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 57.78 2i9s h GLU 30 Cb 1.26 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.81 2i9s h GLU 30 CO 0.64 0.00 -0.35 -0.22 -1.18 0.00 0.00 179.01 177.90 2i9s h LYS 31 N 0.00 -0.38 -0.25 1.92 3.11 -1.95 0.98 116.57 120.01 2i9s h LYS 31 Ca 0.00 0.03 -0.06 0.00 -2.81 0.00 0.00 60.65 57.80 2i9s h LYS 31 Cb 0.77 0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 32.08 2i9s h LYS 31 CO 0.00 -0.25 -0.08 1.49 -2.81 0.00 0.00 179.45 177.80 2i9s h GLU 32 N -0.39 0.50 -0.51 1.90 4.57 -1.88 -2.03 114.58 116.74 2i9s h GLU 32 Ca 0.02 -0.20 0.07 0.00 -1.18 0.00 0.00 59.36 58.06 2i9s h GLU 32 Cb 0.44 -0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 28.92 2i9s h GLU 32 CO -0.27 0.73 -0.51 1.15 -1.18 0.00 0.00 179.01 178.94 2i9s h THR 33 N 0.23 0.04 -0.00 0.32 2.02 -1.70 -1.60 112.91 112.22 2i9s h THR 33 Ca 0.06 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.25 2i9s h THR 33 Cb 0.56 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 2i9s h THR 33 CO 0.03 0.00 -0.06 1.05 0.37 0.00 0.00 175.52 176.91 2i9s h GLU 34 N -0.30 -0.10 -0.13 6.66 4.11 0.16 0.67 114.58 125.63 2i9s h GLU 34 Ca 0.12 0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.53 2i9s h GLU 34 Cb 0.57 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 2i9s h GLU 34 CO -0.65 -0.07 -0.02 1.05 0.07 0.00 0.00 179.01 179.39 2i9s h GLU 35 N -0.11 0.25 0.00 1.06 4.11 -1.20 -1.66 114.58 117.03 2i9s h GLU 35 Ca 0.03 -0.09 -0.22 0.00 0.07 0.00 0.00 59.36 59.15 2i9s h GLU 35 Cb 0.14 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 2i9s h GLU 35 CO -0.06 0.51 -0.93 0.82 0.07 0.00 0.00 179.01 179.42 2i9s h ILE 36 N -0.04 1.44 -0.17 -1.06 2.04 -1.10 -1.78 117.51 116.83 2i9s h ILE 36 Ca 0.04 -2.52 -0.11 0.00 1.00 0.00 0.00 64.86 63.27 2i9s h ILE 36 Cb 0.41 2.45 -0.01 0.00 -0.74 0.00 0.00 36.82 38.93 2i9s h ILE 36 CO 0.01 0.75 -0.37 0.71 0.00 0.00 0.00 178.15 179.25 2i9s h THR 37 N 0.18 1.29 -0.39 -0.27 1.35 0.37 0.55 112.91 116.00 2i9s h THR 37 Ca -0.07 -1.46 -0.02 0.00 -0.55 0.00 0.00 66.41 64.31 2i9s h THR 37 Cb 1.56 1.57 -0.02 0.00 -1.73 0.00 0.00 68.15 69.54 2i9s h THR 37 CO 0.15 0.45 0.16 0.28 -0.25 0.00 0.00 175.52 176.31 2i9s h SER 38 N 0.31 0.54 -0.66 5.36 0.02 -1.10 -0.08 113.55 117.93 2i9s h SER 38 Ca 0.03 -0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 60.77 2i9s h SER 38 Cb 0.79 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.16 2i9s h SER 38 CO 0.06 0.55 0.23 0.25 -1.14 0.00 0.00 176.83 176.78 2i9s h LEU 39 N 0.49 0.97 0.00 5.07 5.85 -0.65 -1.25 115.31 125.79 2i9s h LEU 39 Ca 0.13 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2i9s h LEU 39 Cb 0.18 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.96 2i9s h LEU 39 CO -0.01 0.90 0.00 0.79 -0.34 0.00 0.00 178.44 179.77 2i9s n TRP 40 N -4.27 0.00 0.43 1.25 8.01 0.19 -1.56 117.44 121.48 2i9s n TRP 40 Ca 0.06 0.00 0.12 0.00 -1.31 0.00 0.00 57.50 56.36 2i9s n TRP 40 Cb 0.21 0.00 0.47 0.00 -2.01 0.00 0.00 31.31 29.98 2i9s n TRP 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2i9s n GLN 41 N -0.27 0.18 0.14 -0.99 -0.00 -0.08 -0.02 117.38 116.34 2i9s n GLN 41 Ca 0.00 0.39 -0.14 0.00 -0.00 0.00 0.00 57.00 57.25 2i9s n GLN 41 Cb 0.00 -1.84 -0.08 0.00 -0.00 0.00 0.00 30.24 28.32 2i9s n GLN 41 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.06 177.84 2i9s h GLY 42 N 2.48 -0.34 1.98 2.61 0.00 -1.33 -0.05 103.07 108.42 2i9s h GLY 42 Ca 0.00 0.13 -0.13 0.00 0.00 0.00 0.00 47.33 47.33 2i9s h GLY 42 CO 0.00 -0.12 -0.62 1.48 0.00 0.00 0.00 176.54 177.28 2i9s h SER 43 N -0.54 0.03 0.13 0.19 4.64 -0.05 0.45 113.55 118.40 2i9s h SER 43 Ca -0.03 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 2i9s h SER 43 Cb 0.40 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2i9s h SER 43 CO 0.05 0.64 -0.12 -0.07 -0.87 0.00 0.00 176.83 176.47 2i9s h LEU 44 N 0.02 0.00 0.01 5.97 3.38 -0.34 0.13 115.31 124.48 2i9s h LEU 44 Ca -0.01 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.65 2i9s h LEU 44 Cb 1.10 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.79 2i9s h LEU 44 CO 0.08 0.12 -1.86 0.33 0.09 0.00 0.00 178.44 177.20 2i9s n PHE 45 N -4.33 0.83 0.00 1.13 7.35 -0.04 -2.96 117.46 119.43 2i9s n PHE 45 Ca -0.03 0.29 -0.03 0.00 -0.76 0.00 0.00 57.45 56.92 2i9s n PHE 45 Cb 0.19 -1.15 0.21 0.00 0.35 0.00 0.00 39.48 39.09 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 0.01 0.51 0.08 -2.13 -0.73 -0.01 -1.25 115.58 112.06 2i9s h ASN 46 Ca -0.35 -0.15 0.00 0.00 1.87 0.00 0.00 56.30 57.67 2i9s h ASN 46 Cb 2.06 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 40.51 2i9s h ASN 46 CO 0.07 0.71 -0.04 0.00 -0.37 0.00 0.00 177.43 177.79 2i9s n ALA 47 N -2.48 2.68 -3.48 1.57 0.00 0.37 -4.95 120.51 114.22 2i9s n ALA 47 Ca 0.00 -0.36 -0.21 0.00 0.00 0.00 0.00 53.44 52.88 2i9s n ALA 47 Cb 0.37 -1.27 0.06 0.00 0.00 0.00 0.00 19.45 18.60 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 -0.36 -4.49 -4.89 0.00 2.85 -0.47 -5.02 115.26 102.87 2i9s n ASN 48 Ca 0.19 -0.80 -0.29 0.00 -0.11 0.00 0.00 54.58 53.57 2i9s n ASN 48 Cb 0.29 -4.51 -0.03 0.00 1.24 0.00 0.00 39.78 36.76 2i9s n ASN 48 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 2i9s s TYR 49 N -3.47 3.48 -1.21 1.20 2.02 -1.16 -4.99 117.35 113.22 2i9s s TYR 49 Ca 0.30 0.81 -0.11 0.00 -0.37 0.00 0.00 57.07 57.70 2i9s s TYR 49 Cb -0.06 -2.25 0.19 0.00 -0.40 0.00 0.00 41.96 39.44 2i9s s TYR 49 CO 0.78 0.04 1.53 -3.47 -1.57 0.00 0.00 175.55 172.86 2i9s n ASP 50 N -1.15 5.30 -4.18 2.29 2.03 -1.26 -4.88 116.55 114.70 2i9s n ASP 50 Ca 0.00 -3.05 -0.11 0.00 0.52 0.00 0.00 54.79 52.15 2i9s n ASP 50 Cb 0.54 -1.50 -0.10 0.00 -0.72 0.00 0.00 41.12 39.34 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 0.60 0.11 -0.16 5.18 -7.23 -1.26 -3.84 120.40 113.80 2i9s s VAL 51 Ca 0.40 -1.95 0.01 0.00 -1.81 0.00 0.00 61.98 58.63 2i9s s VAL 51 Cb 0.01 -2.24 0.02 0.00 0.56 0.00 0.00 36.38 34.72 2i9s s VAL 51 CO 0.00 -0.28 -0.20 -1.58 -0.31 0.00 0.00 175.10 172.74 2i9s s GLN 52 N -4.08 2.86 -0.06 4.82 0.74 -0.52 -4.96 119.66 118.47 2i9s s GLN 52 Ca 0.30 -0.79 0.01 0.00 0.05 0.00 0.00 55.36 54.93 2i9s s GLN 52 Cb 0.07 -2.42 0.02 0.00 1.10 0.00 0.00 33.01 31.78 2i9s s GLN 52 CO 0.06 -0.13 -0.06 1.03 -0.55 0.00 0.00 175.29 175.63 2i9s s ARG 53 N 1.13 1.08 0.03 1.67 3.00 -1.26 0.10 118.95 124.69 2i9s s ARG 53 Ca -0.00 -0.18 0.02 0.00 0.00 0.00 0.00 55.73 55.58 2i9s s ARG 53 Cb -0.14 -1.04 -0.02 0.00 0.00 0.00 0.00 34.95 33.75 2i9s s ARG 53 CO -0.08 -0.08 -0.07 0.12 0.00 0.00 0.00 175.30 175.18 2i9s s PHE 54 N 0.99 0.64 -0.72 -0.53 5.36 -0.74 -4.92 117.98 118.06 2i9s s PHE 54 Ca -0.10 -0.36 -0.19 0.00 -0.96 0.00 0.00 56.93 55.32 2i9s s PHE 54 Cb -0.14 -0.39 0.12 0.00 -0.34 0.00 0.00 43.02 42.27 2i9s s PHE 54 CO -0.00 -0.05 0.87 0.42 -1.46 0.00 0.00 175.22 174.99 2i9s s ILE 55 N -0.96 4.82 0.23 3.12 1.01 -1.26 -0.40 121.20 127.76 2i9s s ILE 55 Ca -0.06 -1.25 0.01 0.00 0.00 0.00 0.00 60.65 59.36 2i9s s ILE 55 Cb -0.07 -4.60 -0.02 0.00 0.01 0.00 0.00 42.46 37.78 2i9s s ILE 55 CO 0.00 -1.27 1.57 0.58 0.00 0.00 0.00 174.94 175.83 2i9s h VAL 56 N 5.76 1.33 0.00 2.92 2.07 -1.78 -3.49 116.25 123.05 2i9s h VAL 56 Ca -0.12 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 65.67 2i9s h VAL 56 Cb 1.06 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 2i9s h VAL 56 CO 1.07 0.53 0.00 0.61 0.02 0.00 0.00 177.57 179.80 2i9s n GLY 57 N 0.11 -1.05 3.68 2.17 0.00 -0.50 -4.99 105.19 104.60 2i9s n GLY 57 Ca -0.02 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 2i9s n GLY 57 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2i9s s SER 58 N -4.00 6.80 0.00 1.61 0.01 -1.26 -1.18 113.70 115.69 2i9s s SER 58 Ca 0.00 2.12 0.00 0.00 1.31 0.00 0.00 55.95 59.38 2i9s s SER 58 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2i9s s SER 58 CO 0.00 -0.78 0.00 -0.67 0.41 0.00 0.00 173.24 172.20 2i9s n ASP 59 N 5.86 0.00 -3.97 2.44 -0.08 -1.23 -4.68 116.55 114.90 2i9s n ASP 59 Ca 0.14 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 53.13 2i9s n ASP 59 Cb 0.43 -0.07 -0.16 0.00 2.34 0.00 0.00 41.12 43.66 2i9s n ASP 59 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 2i9s s ARG 60 N -0.02 1.91 0.20 -0.67 6.06 -0.32 -1.06 118.95 125.04 2i9s s ARG 60 Ca 0.00 -0.57 0.02 0.00 -2.50 0.00 0.00 55.73 52.68 2i9s s ARG 60 Cb 0.00 -2.08 -0.05 0.00 0.06 0.00 0.00 34.95 32.88 2i9s s ARG 60 CO 0.00 -0.33 0.01 0.00 -2.50 0.00 0.00 175.30 172.47 2i9s s ALA 61 N 1.53 1.50 0.03 6.12 0.00 -0.11 -1.41 121.76 129.43 2i9s s ALA 61 Ca 0.02 -1.66 -0.06 0.00 0.00 0.00 0.00 51.96 50.27 2i9s s ALA 61 Cb -0.14 0.58 -0.01 0.00 0.00 0.00 0.00 23.12 23.55 2i9s s ALA 61 CO -0.09 -0.31 0.10 0.96 0.00 0.00 0.00 175.76 176.42 2i9s s ILE 62 N -3.60 0.12 -0.27 0.00 -4.36 0.47 -0.95 121.20 112.61 2i9s s ILE 62 Ca 0.26 -1.01 -0.01 0.00 -0.26 0.00 0.00 60.65 59.64 2i9s s ILE 62 Cb 0.06 -0.77 0.08 0.00 1.25 0.00 0.00 42.46 43.08 2i9s s ILE 62 CO 0.06 -0.55 0.06 0.72 0.24 0.00 0.00 174.94 175.47 2i9s s PHE 63 N -2.31 1.60 -0.44 1.37 -0.71 -0.55 -1.78 117.98 115.15 2i9s s PHE 63 Ca -0.07 -1.49 -0.22 0.00 -1.04 0.00 0.00 56.93 54.11 2i9s s PHE 63 Cb -0.03 -1.50 0.03 0.00 -1.21 0.00 0.00 43.02 40.31 2i9s s PHE 63 CO -0.03 -0.79 0.71 1.41 -1.34 0.00 0.00 175.22 175.18 2i9s s MET 64 N 1.66 3.33 0.37 1.99 1.75 0.28 -1.51 119.30 127.17 2i9s s MET 64 Ca 0.05 -0.26 -0.25 0.00 -1.25 0.00 0.00 55.69 53.98 2i9s s MET 64 Cb -0.17 -3.95 -0.09 0.00 2.84 0.00 0.00 34.83 33.46 2i9s s MET 64 CO -0.18 -1.06 1.02 -0.51 -0.65 0.00 0.00 175.02 173.64 2i9s s LEU 65 N 3.04 4.23 0.08 4.11 1.02 0.20 -1.43 118.68 129.91 2i9s s LEU 65 Ca 0.26 1.99 -0.00 0.00 0.02 0.00 0.00 54.13 56.40 2i9s s LEU 65 Cb -0.13 -4.10 -0.00 0.00 0.02 0.00 0.00 46.19 41.98 2i9s s LEU 65 CO 0.21 -0.34 -0.01 -1.14 0.02 0.00 0.00 176.35 175.09 2i9s n ARG 66 N 0.20 0.01 0.00 1.70 0.63 -1.25 -1.25 116.66 116.70 2i9s n ARG 66 Ca 0.04 0.01 0.01 0.00 -0.92 0.00 0.00 57.85 56.98 2i9s n ARG 66 Cb 0.49 -0.52 0.07 0.00 0.45 0.00 0.00 32.46 32.95 2i9s n ARG 66 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2i9s n ASP 67 N -3.45 0.00 0.00 6.15 2.03 -1.26 -3.60 116.55 116.43 2i9s n ASP 67 Ca -0.00 -0.99 0.00 0.00 0.52 0.00 0.00 54.79 54.32 2i9s n ASP 67 Cb 0.09 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 2i9s n ASP 67 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2i9s n GLY 68 N 0.04 0.00 0.78 0.27 0.00 -1.03 -3.12 105.19 102.13 2i9s n GLY 68 Ca 0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.07 2i9s n GLY 68 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2i9s n SER 69 N 0.00 2.14 -3.64 1.61 7.64 -1.26 -4.65 113.62 115.46 2i9s n SER 69 Ca 0.00 -2.19 -0.08 0.00 1.01 0.00 0.00 58.87 57.61 2i9s n SER 69 Cb 0.00 -0.40 -0.07 0.00 -1.01 0.00 0.00 64.21 62.73 2i9s n SER 69 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 2i9s s TYR 70 N -1.64 -0.73 0.00 1.43 -0.85 -1.26 -5.00 117.35 109.31 2i9s s TYR 70 Ca 0.19 1.60 0.00 0.00 -0.52 0.00 0.00 57.07 58.34 2i9s s TYR 70 Cb 0.12 0.41 0.00 0.00 0.38 0.00 0.00 41.96 42.87 2i9s s TYR 70 CO 0.08 -0.36 0.00 0.00 -1.52 0.00 0.00 175.55 173.76 2i9s n ALA 71 N 3.21 0.00 0.11 9.51 0.00 -1.26 -4.80 120.51 127.27 2i9s n ALA 71 Ca -0.16 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.24 2i9s n ALA 71 Cb 0.57 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.09 2i9s n ALA 71 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 2i9s h TRP 72 N 0.00 0.09 -0.34 0.00 6.55 -1.95 0.54 115.95 120.85 2i9s h TRP 72 Ca 0.00 -0.04 -0.13 0.00 0.95 0.00 0.00 58.89 59.66 2i9s h TRP 72 Cb 0.00 -0.01 -0.01 0.00 -0.86 0.00 0.00 29.16 28.28 2i9s h TRP 72 CO 0.00 0.78 -0.32 1.49 -1.05 0.00 0.00 178.44 179.34 2i9s h GLU 73 N 0.04 0.74 -0.53 0.49 4.81 -1.98 -1.62 114.58 116.55 2i9s h GLU 73 Ca -0.01 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 58.86 2i9s h GLU 73 Cb 1.31 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.65 2i9s h GLU 73 CO 0.10 0.96 0.29 0.82 -0.73 0.00 0.00 179.01 180.45 2i9s h ILE 74 N 0.63 1.18 0.00 2.32 2.04 -1.76 -1.62 117.51 120.30 2i9s h ILE 74 Ca 0.07 -0.46 -0.09 0.00 1.00 0.00 0.00 64.86 65.39 2i9s h ILE 74 Cb 0.85 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2i9s h ILE 74 CO 0.07 0.19 -0.41 0.07 0.00 0.00 0.00 178.15 178.07 2i9s h LYS 75 N 0.70 0.00 -0.12 2.37 5.09 -0.62 -1.27 116.57 122.73 2i9s h LYS 75 Ca 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.92 2i9s h LYS 75 Cb 0.05 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.38 2i9s h LYS 75 CO -0.03 0.41 0.06 0.22 -2.09 0.00 0.00 179.45 178.02 2i9s h ASP 76 N 0.00 0.15 -0.56 7.07 3.58 -0.88 -1.72 116.42 124.06 2i9s h ASP 76 Ca -0.00 -0.09 0.07 0.00 0.42 0.00 0.00 57.03 57.42 2i9s h ASP 76 Cb 0.84 -0.04 -0.06 0.00 1.72 0.00 0.00 39.33 41.79 2i9s h ASP 76 CO 0.05 0.19 0.25 -0.26 -2.88 0.00 0.00 179.24 176.60 2i9s h PHE 77 N 0.09 0.44 -0.19 0.28 0.04 -0.30 0.24 116.94 117.54 2i9s h PHE 77 Ca 0.04 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.82 2i9s h PHE 77 Cb 0.08 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 2i9s h PHE 77 CO -0.04 0.17 0.06 1.37 -0.60 0.00 0.00 178.31 179.27 2i9s h LEU 78 N 0.47 0.28 0.00 1.54 8.10 -1.20 0.13 115.31 124.62 2i9s h LEU 78 Ca 0.27 -0.20 0.00 0.00 0.11 0.00 0.00 57.88 58.06 2i9s h LEU 78 Cb 0.25 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 40.40 2i9s h LEU 78 CO -0.23 0.41 0.00 1.33 -4.11 0.00 0.00 178.44 175.84 2i9s n VAL 79 N -4.81 0.05 0.16 0.15 0.24 -0.66 0.48 118.33 113.95 2i9s n VAL 79 Ca -0.04 0.01 0.12 0.00 -2.04 0.00 0.00 64.34 62.39 2i9s n VAL 79 Cb 0.15 -0.59 0.07 0.00 -1.47 0.00 0.00 33.84 32.00 2i9s n VAL 79 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2i9s h SER 80 N 0.00 0.00 1.67 -1.34 0.02 0.06 -2.98 113.55 110.98 2i9s h SER 80 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2i9s h SER 80 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2i9s h SER 80 CO 0.00 0.00 -0.08 -0.61 -1.14 0.00 0.00 176.83 175.00 2i9s h GLN 81 N 0.00 0.00 0.00 3.45 5.75 0.27 -3.48 115.11 121.10 2i9s h GLN 81 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2i9s h GLN 81 Cb 1.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.55 2i9s h GLN 81 CO 0.00 0.00 0.00 -3.47 -2.65 0.00 0.00 178.83 172.71 2i9s n ASP 82 N -2.68 0.00 -4.27 -0.69 2.03 -0.31 -4.86 116.55 105.77 2i9s n ASP 82 Ca 0.04 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.92 2i9s n ASP 82 Cb 0.48 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 2i9s n ASP 82 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2i9s n ARG 83 N 0.00 3.27 -2.34 -0.67 5.12 -1.26 -4.37 116.66 116.41 2i9s n ARG 83 Ca 0.00 -3.40 -0.02 0.00 -1.93 0.00 0.00 57.85 52.50 2i9s n ARG 83 Cb 0.00 -3.21 0.07 0.00 -1.16 0.00 0.00 32.46 28.16 2i9s n ARG 83 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2i9s n ALA 85 N -0.97 0.34 -3.69 0.00 0.00 -1.18 -4.67 120.51 110.34 2i9s n ALA 85 Ca -0.13 0.65 -0.13 0.00 0.00 0.00 0.00 53.44 53.82 2i9s n ALA 85 Cb 0.85 -0.49 -0.13 0.00 0.00 0.00 0.00 19.45 19.68 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 -5.42 0.17 -0.12 0.00 2.12 -0.52 -4.99 118.70 109.94 2i9s s GLU 86 Ca -0.08 0.67 0.00 0.00 0.36 0.00 0.00 54.97 55.92 2i9s s GLU 86 Cb 0.18 -0.07 -0.02 0.00 0.26 0.00 0.00 34.13 34.48 2i9s s GLU 86 CO 0.47 -0.24 -0.12 0.14 -0.54 0.00 0.00 175.26 174.97 2i9s s VAL 87 N 2.00 3.14 -0.18 3.70 -7.23 -1.26 0.67 120.40 121.24 2i9s s VAL 87 Ca -0.03 -0.64 -0.00 0.00 -1.81 0.00 0.00 61.98 59.50 2i9s s VAL 87 Cb -0.11 -2.31 0.01 0.00 0.56 0.00 0.00 36.38 34.53 2i9s s VAL 87 CO -0.08 0.53 -0.16 0.42 -0.31 0.00 0.00 175.10 175.50 2i9s s THR 88 N 0.16 2.42 0.20 5.32 -4.23 0.64 -4.99 115.64 115.17 2i9s s THR 88 Ca -0.07 -0.82 0.05 0.00 -1.18 0.00 0.00 61.69 59.67 2i9s s THR 88 Cb -0.15 -2.04 -0.04 0.00 1.34 0.00 0.00 72.50 71.62 2i9s s THR 88 CO 0.05 0.51 0.23 -0.76 -0.54 0.00 0.00 174.62 174.10 2i9s s LEU 89 N 1.26 4.02 0.38 4.79 1.02 -1.26 -0.93 118.68 127.96 2i9s s LEU 89 Ca 0.03 -0.06 -0.24 0.00 0.02 0.00 0.00 54.13 53.89 2i9s s LEU 89 Cb -0.14 -2.59 -0.10 0.00 0.02 0.00 0.00 46.19 43.38 2i9s s LEU 89 CO -0.09 0.01 0.98 -0.70 0.02 0.00 0.00 176.35 176.58 2i9s s GLU 90 N -3.49 4.32 0.00 1.70 2.12 -1.25 -4.91 118.70 117.20 2i9s s GLU 90 Ca 0.33 1.34 0.00 0.00 0.36 0.00 0.00 54.97 57.00 2i9s s GLU 90 Cb -0.09 -2.53 0.00 0.00 0.26 0.00 0.00 34.13 31.77 2i9s s GLU 90 CO 0.26 0.03 0.00 0.41 -0.54 0.00 0.00 175.26 175.42 2i9s n GLY 91 N 0.15 3.62 3.29 -1.50 0.00 -1.26 -4.84 105.19 104.66 2i9s n GLY 91 Ca 0.05 -1.74 -0.39 0.00 0.00 0.00 0.00 46.02 43.93 2i9s n GLY 91 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2i9s s GLN 92 N -2.61 2.65 -0.67 1.61 0.74 -1.26 -4.48 119.66 115.64 2i9s s GLN 92 Ca 0.00 -1.21 -0.07 0.00 0.05 0.00 0.00 55.36 54.13 2i9s s GLN 92 Cb 0.00 -3.57 0.01 0.00 1.10 0.00 0.00 33.01 30.55 2i9s s GLN 92 CO 0.00 -0.72 0.65 -0.12 -0.55 0.00 0.00 175.29 174.55 2i9s n MET 93 N 4.86 -1.65 -3.96 1.67 0.00 -1.26 -5.00 117.12 111.78 2i9s n MET 93 Ca -0.12 1.44 -0.31 0.00 0.00 0.00 0.00 57.70 58.71 2i9s n MET 93 Cb 0.45 -4.52 -0.05 0.00 0.00 0.00 0.00 33.22 29.10 2i9s n MET 93 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 175.97 177.49 2i9s s TYR 94 N -2.76 3.42 0.38 1.12 1.13 -1.26 -4.86 117.35 114.52 2i9s s TYR 94 Ca 0.09 0.22 -0.14 0.00 -1.41 0.00 0.00 57.07 55.82 2i9s s TYR 94 Cb -0.02 -1.73 -0.08 0.00 -1.10 0.00 0.00 41.96 39.03 2i9s s TYR 94 CO 0.80 0.58 0.79 -1.25 -2.51 0.00 0.00 175.55 173.96 2i9s s PRO 95 N -2.35 3.96 0.00 -3.49 0.04 -1.26 -5.00 135.00 126.89 2i9s s PRO 95 Ca 0.32 0.69 0.00 0.00 0.04 0.00 0.00 61.00 62.05 2i9s s PRO 95 Cb -0.13 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 32.05 2i9s s PRO 95 CO 0.24 0.04 0.00 0.41 0.04 0.00 0.00 177.00 177.73 2i9s n GLY 96 N -0.78 0.58 3.74 0.56 0.00 -1.26 -3.74 105.19 104.29 2i9s n GLY 96 Ca 0.04 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.35 2i9s n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60