#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 -0.07 1.61 0.11 -1.94 -2.55 132.00 129.15 2i9s h PRO 2 Ca 0.00 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.01 2i9s h PRO 2 Cb 0.00 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 30.96 2i9s h PRO 2 CO 0.00 0.05 -0.69 0.41 -0.21 0.00 0.00 178.00 177.56 2i9s n GLY 3 N -0.72 4.03 3.74 -0.55 0.00 -1.26 -4.48 105.19 105.95 2i9s n GLY 3 Ca -0.02 -1.29 -0.26 0.00 0.00 0.00 0.00 46.02 44.45 2i9s n GLY 3 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2i9s s LYS 4 N -2.42 2.69 0.42 1.61 2.20 -0.96 -4.54 119.74 118.74 2i9s s LYS 4 Ca 0.38 -0.96 -0.22 0.00 -0.36 0.00 0.00 55.97 54.80 2i9s s LYS 4 Cb 0.38 -2.53 -0.13 0.00 -1.51 0.00 0.00 37.83 34.04 2i9s s LYS 4 CO -0.09 0.47 0.42 -2.30 -0.36 0.00 0.00 175.35 173.50 2i9s n PRO 5 N -0.22 0.41 0.00 4.03 -0.02 -1.26 -2.15 135.00 135.79 2i9s n PRO 5 Ca -0.09 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 2i9s n PRO 5 Cb 0.55 -1.38 0.00 0.00 -0.02 0.00 0.00 33.50 32.65 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 0.76 0.00 0.17 -0.52 -0.58 -1.26 -4.53 120.64 114.68 2i9s n GLU 6 Ca 0.11 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.87 2i9s n GLU 6 Cb 0.40 -0.06 0.30 0.00 -0.57 0.00 0.00 31.44 31.51 2i9s n GLU 6 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 2i9s h SER 7 N 0.00 0.00 -0.18 1.62 0.02 -1.70 0.12 113.55 113.42 2i9s h SER 7 Ca 0.00 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.77 2i9s h SER 7 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 2i9s h SER 7 CO 0.00 0.45 -0.56 0.16 -1.14 0.00 0.00 176.83 175.75 2i9s h ILE 8 N 0.00 1.29 0.00 3.27 3.07 -1.65 -0.09 117.51 123.40 2i9s h ILE 8 Ca -0.00 -1.76 0.00 0.00 1.55 0.00 0.00 64.86 64.65 2i9s h ILE 8 Cb 0.82 1.68 0.00 0.00 -0.27 0.00 0.00 36.82 39.05 2i9s h ILE 8 CO 0.06 0.57 0.00 0.00 -1.05 0.00 0.00 178.15 177.72 2i9s n LEU 9 N -3.99 0.18 0.03 0.16 -0.00 -0.80 -0.91 117.00 111.67 2i9s n LEU 9 Ca -0.04 0.52 0.03 0.00 -0.00 0.00 0.00 56.01 56.52 2i9s n LEU 9 Cb 0.63 -0.46 -0.09 0.00 -0.00 0.00 0.00 43.42 43.50 2i9s n LEU 9 CO 0.49 -0.06 -0.40 0.29 -0.00 0.00 0.00 177.39 177.72 2i9s n LYS 10 N -1.67 0.63 0.08 1.47 5.02 0.33 -0.03 118.16 123.99 2i9s n LYS 10 Ca 0.06 0.10 -0.08 0.00 -2.02 0.00 0.00 58.31 56.38 2i9s n LYS 10 Cb 0.35 -1.73 -0.07 0.00 -0.02 0.00 0.00 35.03 33.56 2i9s n LYS 10 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 2i9s h MET 11 N 0.00 0.07 0.00 1.97 4.05 -0.75 -3.32 114.93 116.95 2i9s h MET 11 Ca -0.14 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 59.17 2i9s h MET 11 Cb 1.43 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.26 2i9s h MET 11 CO 0.03 0.98 -1.79 2.41 0.23 0.00 0.00 176.91 178.77 2i9s n THR 12 N -3.48 0.09 -0.32 -0.77 -1.04 -0.09 -5.09 114.28 103.59 2i9s n THR 12 Ca -0.02 -0.47 0.04 0.00 -2.04 0.00 0.00 64.05 61.56 2i9s n THR 12 Cb 0.89 0.01 -0.02 0.00 -1.82 0.00 0.00 70.33 69.40 2i9s n THR 12 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2i9s n LYS 13 N -2.27 -0.69 -2.56 -2.82 5.02 0.95 -4.80 118.16 110.99 2i9s n LYS 13 Ca -0.03 0.52 -0.39 0.00 -2.02 0.00 0.00 58.31 56.40 2i9s n LYS 13 Cb 0.55 -0.82 -0.05 0.00 -0.02 0.00 0.00 35.03 34.69 2i9s n LYS 13 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2i9s s LYS 14 N -2.35 4.48 0.00 1.97 2.20 -1.25 -4.41 119.74 120.38 2i9s s LYS 14 Ca 0.00 1.61 0.00 0.00 -0.36 0.00 0.00 55.97 57.22 2i9s s LYS 14 Cb 0.00 -2.92 0.00 0.00 -1.51 0.00 0.00 37.83 33.40 2i9s s LYS 14 CO 0.00 0.12 0.00 0.41 -0.36 0.00 0.00 175.35 175.52 2i9s n GLY 15 N 0.85 3.45 3.74 5.54 0.00 -1.09 -4.93 105.19 112.74 2i9s n GLY 15 Ca 0.01 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 4.31 -0.11 1.61 2.47 -1.26 -4.72 119.74 122.03 2i9s s LYS 16 Ca 0.00 2.20 -0.30 0.00 -1.56 0.00 0.00 55.97 56.31 2i9s s LYS 16 Cb 0.00 -3.16 -0.01 0.00 -1.46 0.00 0.00 37.83 33.20 2i9s s LYS 16 CO 0.00 -0.39 1.07 0.99 0.16 0.00 0.00 175.35 177.18 2i9s s THR 17 N 0.31 4.61 -0.15 3.43 2.01 -1.26 -4.29 115.64 120.30 2i9s s THR 17 Ca 0.60 1.90 -0.01 0.00 0.31 0.00 0.00 61.69 64.49 2i9s s THR 17 Cb -0.40 -4.22 0.04 0.00 0.01 0.00 0.00 72.50 67.93 2i9s s THR 17 CO 0.39 -0.03 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.03 2i9s s LEU 18 N 2.32 1.33 -0.56 4.42 2.96 -0.59 -4.97 118.68 123.60 2i9s s LEU 18 Ca 0.50 -0.57 -0.25 0.00 -0.22 0.00 0.00 54.13 53.58 2i9s s LEU 18 Cb -0.20 -0.77 0.04 0.00 0.50 0.00 0.00 46.19 45.76 2i9s s LEU 18 CO 0.17 -0.20 1.02 0.00 -1.32 0.00 0.00 176.35 176.02 2i9s s MET 19 N 1.74 3.39 -0.15 1.98 0.23 -1.26 -0.31 119.30 124.91 2i9s s MET 19 Ca 0.01 -0.09 -0.24 0.00 -1.03 0.00 0.00 55.69 54.35 2i9s s MET 19 Cb -0.15 -4.04 -0.02 0.00 -1.53 0.00 0.00 34.83 29.09 2i9s s MET 19 CO -0.07 -1.54 0.74 -1.64 -2.03 0.00 0.00 175.02 170.48 2i9s s MET 20 N 4.26 4.31 -0.33 3.16 -1.94 -0.54 -3.41 119.30 124.81 2i9s s MET 20 Ca 0.34 0.87 -0.09 0.00 -1.71 0.00 0.00 55.69 55.11 2i9s s MET 20 Cb -0.11 -3.54 0.01 0.00 2.01 0.00 0.00 34.83 33.20 2i9s s MET 20 CO 0.21 -0.20 0.15 0.12 -0.01 0.00 0.00 175.02 175.29 2i9s s PHE 21 N 1.73 3.20 -0.08 -0.03 2.19 -0.07 -1.47 117.98 123.45 2i9s s PHE 21 Ca 0.35 -0.91 0.03 0.00 0.33 0.00 0.00 56.93 56.74 2i9s s PHE 21 Cb -0.17 -2.35 0.00 0.00 -1.31 0.00 0.00 43.02 39.20 2i9s s PHE 21 CO 0.13 -0.58 -0.19 0.54 1.83 0.00 0.00 175.22 176.95 2i9s s VAL 22 N 1.54 1.66 -0.11 3.12 0.11 -0.47 -1.06 120.40 125.18 2i9s s VAL 22 Ca 0.02 -0.79 -0.17 0.00 -2.93 0.00 0.00 61.98 58.12 2i9s s VAL 22 Cb -0.18 -1.46 -0.04 0.00 -1.53 0.00 0.00 36.38 33.17 2i9s s VAL 22 CO 0.05 0.47 0.42 -0.89 -3.33 0.00 0.00 175.10 171.83 2i9s s THR 23 N 0.44 5.20 -0.17 5.04 2.01 0.13 -1.43 115.64 126.87 2i9s s THR 23 Ca -0.16 0.84 -0.01 0.00 0.31 0.00 0.00 61.69 62.67 2i9s s THR 23 Cb -0.17 -3.76 0.05 0.00 0.01 0.00 0.00 72.50 68.63 2i9s s THR 23 CO 0.06 0.37 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.67 2i9s s VAL 24 N 0.40 0.78 -0.09 3.82 1.01 -0.79 -1.45 120.40 124.07 2i9s s VAL 24 Ca 0.23 -0.52 0.16 0.00 0.00 0.00 0.00 61.98 61.85 2i9s s VAL 24 Cb -0.15 -1.10 -0.23 0.00 0.00 0.00 0.00 36.38 34.90 2i9s s VAL 24 CO 0.09 -0.01 0.37 -0.24 0.00 0.00 0.00 175.10 175.31 2i9s n SER 25 N 4.98 1.37 -0.34 3.32 2.88 -1.26 -4.38 113.62 120.18 2i9s n SER 25 Ca -0.10 -0.09 0.08 0.00 -1.33 0.00 0.00 58.87 57.43 2i9s n SER 25 Cb 0.48 1.64 0.17 0.00 -0.75 0.00 0.00 64.21 65.75 2i9s n SER 25 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2i9s n GLY 26 N 1.59 -1.53 3.11 0.46 0.00 -1.26 -2.87 105.19 104.70 2i9s n GLY 26 Ca -0.02 1.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.66 2i9s n GLY 26 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2i9s s ASN 27 N -5.18 4.94 0.00 1.61 3.84 -1.26 -4.98 114.94 113.90 2i9s s ASN 27 Ca -0.14 -1.71 0.00 0.00 0.21 0.00 0.00 52.86 51.22 2i9s s ASN 27 Cb 0.26 -1.72 0.00 0.00 -0.55 0.00 0.00 41.25 39.25 2i9s s ASN 27 CO 0.75 -0.37 1.11 -2.65 -2.79 0.00 0.00 177.10 173.15 2i9s n PRO 28 N 4.52 0.81 -0.83 0.43 -0.02 -1.14 -4.46 135.00 134.30 2i9s n PRO 28 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 2i9s n PRO 28 Cb 0.42 -1.10 0.00 0.00 -0.02 0.00 0.00 33.50 32.81 2i9s n PRO 28 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2i9s n THR 29 N 0.97 0.00 0.33 3.45 -2.24 -1.26 -4.84 114.28 110.68 2i9s n THR 29 Ca 0.00 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 2i9s n THR 29 Cb 0.40 0.00 0.22 0.00 -2.10 0.00 0.00 70.33 68.85 2i9s n THR 29 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2i9s h GLU 30 N 0.00 0.00 -0.89 -0.78 4.81 -1.92 -3.31 114.58 112.49 2i9s h GLU 30 Ca 0.00 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 2i9s h GLU 30 Cb 0.00 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 2i9s h GLU 30 CO 0.00 0.00 0.58 -0.22 -0.73 0.00 0.00 179.01 178.64 2i9s h LYS 31 N 0.00 1.10 0.59 1.92 3.11 -1.97 0.74 116.57 122.06 2i9s h LYS 31 Ca 0.00 -0.07 -0.03 0.00 -2.81 0.00 0.00 60.65 57.74 2i9s h LYS 31 Cb 0.92 -0.25 0.01 0.00 -1.00 0.00 0.00 32.23 31.91 2i9s h LYS 31 CO 0.00 0.73 -0.28 1.49 -2.81 0.00 0.00 179.45 178.58 2i9s h GLU 32 N 1.14 -0.76 -0.72 1.90 4.57 -1.78 -1.75 114.58 117.18 2i9s h GLU 32 Ca 0.35 0.05 0.14 0.00 -1.18 0.00 0.00 59.36 58.72 2i9s h GLU 32 Cb -0.03 0.17 -0.14 0.00 -0.16 0.00 0.00 28.75 28.60 2i9s h GLU 32 CO -0.11 -0.51 -0.19 2.41 -1.18 0.00 0.00 179.01 179.44 2i9s n THR 33 N -4.88 -0.31 -0.03 0.32 -1.04 -1.02 -0.01 114.28 107.31 2i9s n THR 33 Ca -0.10 1.65 -0.13 0.00 -2.04 0.00 0.00 64.05 63.42 2i9s n THR 33 Cb 0.31 -2.27 -0.10 0.00 -1.82 0.00 0.00 70.33 66.45 2i9s n THR 33 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 2i9s h GLU 34 N 0.00 0.03 0.01 -2.82 4.11 0.57 0.48 114.58 116.96 2i9s h GLU 34 Ca 0.34 -0.02 0.03 0.00 0.07 0.00 0.00 59.36 59.78 2i9s h GLU 34 Cb 0.52 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 2i9s h GLU 34 CO -0.74 0.62 -0.26 1.49 0.07 0.00 0.00 179.01 180.19 2i9s h GLU 35 N -0.56 -0.39 -0.52 1.06 4.57 -0.35 -1.51 114.58 116.89 2i9s h GLU 35 Ca -0.00 0.03 -0.11 0.00 -1.18 0.00 0.00 59.36 58.10 2i9s h GLU 35 Cb 0.62 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.28 2i9s h GLU 35 CO 0.00 -0.26 -0.10 0.82 -1.18 0.00 0.00 179.01 178.30 2i9s h ILE 36 N -0.40 1.26 -0.12 2.32 2.04 -0.49 -1.54 117.51 120.57 2i9s h ILE 36 Ca 0.06 -1.23 -0.23 0.00 1.00 0.00 0.00 64.86 64.47 2i9s h ILE 36 Cb 0.48 0.97 0.01 0.00 -0.74 0.00 0.00 36.82 37.54 2i9s h ILE 36 CO -0.22 0.43 -0.81 0.71 0.00 0.00 0.00 178.15 178.26 2i9s h THR 37 N 0.86 1.29 -0.16 -0.27 1.35 0.42 0.51 112.91 116.90 2i9s h THR 37 Ca 0.14 -2.04 -0.01 0.00 -0.55 0.00 0.00 66.41 63.95 2i9s h THR 37 Cb 0.64 2.05 -0.01 0.00 -1.73 0.00 0.00 68.15 69.10 2i9s h THR 37 CO 0.04 0.64 0.05 -1.28 -0.25 0.00 0.00 175.52 174.72 2i9s h SER 38 N 0.49 0.24 -0.26 5.36 0.87 -1.29 0.59 113.55 119.55 2i9s h SER 38 Ca -0.06 -0.21 -0.08 0.00 -1.23 0.00 0.00 61.79 60.21 2i9s h SER 38 Cb 1.44 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.33 2i9s h SER 38 CO 0.16 0.39 -0.15 0.25 -0.53 0.00 0.00 176.83 176.95 2i9s h LEU 39 N 0.08 0.58 0.00 2.23 5.85 -1.16 -0.44 115.31 122.45 2i9s h LEU 39 Ca 0.05 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 58.34 2i9s h LEU 39 Cb 0.24 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.11 2i9s h LEU 39 CO -0.00 0.88 0.00 0.79 -0.34 0.00 0.00 178.44 179.77 2i9s n TRP 40 N -4.44 0.00 0.29 1.25 8.01 0.18 -1.23 117.44 121.51 2i9s n TRP 40 Ca -0.04 0.00 0.16 0.00 -1.31 0.00 0.00 57.50 56.31 2i9s n TRP 40 Cb 0.38 -0.30 0.63 0.00 -2.01 0.00 0.00 31.31 30.01 2i9s n TRP 40 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 177.69 176.12 2i9s h GLN 41 N 0.00 0.00 -0.08 -0.99 -0.00 -1.03 0.22 115.11 113.24 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 0.01 0.78 -0.00 0.00 0.00 178.83 179.62 2i9s h GLY 42 N 2.20 0.13 2.00 0.06 0.00 -1.02 -0.30 103.07 106.14 2i9s h GLY 42 Ca 0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 47.33 47.14 2i9s h GLY 42 CO 0.00 0.08 -0.48 1.48 0.00 0.00 0.00 176.54 177.62 2i9s h SER 43 N -0.11 0.00 -0.19 0.19 4.64 -0.02 0.32 113.55 118.37 2i9s h SER 43 Ca 0.02 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2i9s h SER 43 Cb 0.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 2i9s h SER 43 CO 0.00 0.48 0.10 -0.07 -0.87 0.00 0.00 176.83 176.47 2i9s h LEU 44 N 0.00 0.28 0.00 5.97 3.38 -0.33 -0.71 115.31 123.90 2i9s h LEU 44 Ca -0.00 -0.02 -0.23 0.00 0.09 0.00 0.00 57.88 57.72 2i9s h LEU 44 Cb 0.87 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.51 2i9s h LEU 44 CO 0.06 0.26 -1.68 0.33 0.09 0.00 0.00 178.44 177.51 2i9s n PHE 45 N -4.44 0.80 0.16 1.13 7.35 -0.15 -2.27 117.46 120.03 2i9s n PHE 45 Ca 0.00 0.27 0.01 0.00 -0.76 0.00 0.00 57.45 56.98 2i9s n PHE 45 Cb 0.12 -1.08 0.32 0.00 0.35 0.00 0.00 39.48 39.19 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 0.07 -0.02 -2.13 -0.73 0.26 -0.02 115.58 113.01 2i9s h ASN 46 Ca -0.25 -0.03 0.00 0.00 1.87 0.00 0.00 56.30 57.90 2i9s h ASN 46 Cb 1.78 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 40.35 2i9s h ASN 46 CO 0.05 0.45 -0.00 0.00 -0.37 0.00 0.00 177.43 177.56 2i9s n ALA 47 N -2.47 2.53 -3.92 1.57 0.00 -0.33 -4.97 120.51 112.92 2i9s n ALA 47 Ca -0.02 -0.54 -0.30 0.00 0.00 0.00 0.00 53.44 52.59 2i9s n ALA 47 Cb 0.43 -1.03 -0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 0.61 -2.01 0.00 0.00 5.15 -0.02 -4.88 115.26 114.10 2i9s n ASN 48 Ca 0.17 -1.07 0.04 0.00 -0.60 0.00 0.00 54.58 53.13 2i9s n ASN 48 Cb 0.45 -2.87 0.25 0.00 -0.53 0.00 0.00 39.78 37.07 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 -4.43 0.00 -3.07 1.20 4.01 -0.96 -4.90 117.16 109.00 2i9s n TYR 49 Ca -0.23 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.49 2i9s n TYR 49 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.68 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 -0.97 -7.72 -3.52 7.72 2.03 -1.26 -4.82 116.55 108.02 2i9s n ASP 50 Ca 0.06 -0.05 -0.14 0.00 0.52 0.00 0.00 54.79 55.19 2i9s n ASP 50 Cb 0.03 -5.20 -0.05 0.00 -0.72 0.00 0.00 41.12 35.18 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 -2.96 0.00 -0.15 5.18 -7.23 -1.26 -4.18 120.40 109.80 2i9s s VAL 51 Ca 0.02 -1.65 -0.01 0.00 -1.81 0.00 0.00 61.98 58.53 2i9s s VAL 51 Cb -0.01 -2.53 0.04 0.00 0.56 0.00 0.00 36.38 34.44 2i9s s VAL 51 CO 0.76 0.00 -0.03 -1.58 -0.31 0.00 0.00 175.10 173.93 2i9s s GLN 52 N -3.41 1.19 -0.00 4.82 0.74 -0.69 -4.99 119.66 117.32 2i9s s GLN 52 Ca 0.31 -0.36 0.04 0.00 0.05 0.00 0.00 55.36 55.40 2i9s s GLN 52 Cb 0.01 -1.79 -0.01 0.00 1.10 0.00 0.00 33.01 32.32 2i9s s GLN 52 CO 0.18 -0.42 -0.13 1.03 -0.55 0.00 0.00 175.29 175.40 2i9s s ARG 53 N 1.73 1.00 0.07 1.67 3.00 -1.26 0.54 118.95 125.70 2i9s s ARG 53 Ca 0.02 -0.49 0.03 0.00 0.00 0.00 0.00 55.73 55.29 2i9s s ARG 53 Cb -0.15 -0.97 -0.03 0.00 0.00 0.00 0.00 34.95 33.81 2i9s s ARG 53 CO -0.07 0.26 -0.10 -0.06 0.00 0.00 0.00 175.30 175.33 2i9s s PHE 54 N -0.37 0.91 -0.69 -0.53 0.08 -0.74 -4.92 117.98 111.72 2i9s s PHE 54 Ca 0.04 -0.56 -0.19 0.00 0.12 0.00 0.00 56.93 56.34 2i9s s PHE 54 Cb -0.05 -0.52 0.11 0.00 -0.57 0.00 0.00 43.02 41.99 2i9s s PHE 54 CO -0.00 -0.04 0.85 0.42 -0.10 0.00 0.00 175.22 176.35 2i9s s ILE 55 N -1.79 4.75 -0.08 0.64 1.01 -1.26 -0.67 121.20 123.81 2i9s s ILE 55 Ca -0.03 -1.09 0.21 0.00 0.00 0.00 0.00 60.65 59.74 2i9s s ILE 55 Cb -0.07 -4.59 -0.29 0.00 0.01 0.00 0.00 42.46 37.52 2i9s s ILE 55 CO 0.00 -1.27 0.42 1.33 0.00 0.00 0.00 174.94 175.43 2i9s n VAL 56 N 5.49 0.41 -3.59 2.92 0.24 -1.12 -5.04 118.33 117.65 2i9s n VAL 56 Ca 0.00 -0.60 0.02 0.00 -2.04 0.00 0.00 64.34 61.73 2i9s n VAL 56 Cb 0.45 -0.16 -0.00 0.00 -1.47 0.00 0.00 33.84 32.66 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 -4.75 -0.44 -0.02 7.63 0.00 -0.38 -4.98 107.32 104.37 2i9s s GLY 57 Ca -0.08 0.93 -0.30 0.00 0.00 0.00 0.00 44.72 45.28 2i9s s GLY 57 CO 0.88 0.19 1.74 -0.56 0.00 0.00 0.00 173.10 175.35 2i9s s SER 58 N -2.90 6.61 -0.06 1.64 0.01 -1.26 -0.83 113.70 116.90 2i9s s SER 58 Ca 0.14 2.37 0.00 0.00 1.31 0.00 0.00 55.95 59.77 2i9s s SER 58 Cb 0.06 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.75 2i9s s SER 58 CO -0.05 -0.96 0.00 -0.67 0.41 0.00 0.00 173.24 171.97 2i9s n ASP 59 N 7.12 -3.17 -3.63 2.44 -0.08 -1.25 -4.78 116.55 113.20 2i9s n ASP 59 Ca 0.18 0.02 -0.17 0.00 -1.51 0.00 0.00 54.79 53.30 2i9s n ASP 59 Cb 0.42 -0.72 -0.15 0.00 2.34 0.00 0.00 41.12 43.01 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 -1.07 0.07 0.26 -0.67 6.06 -0.01 -1.89 118.95 121.70 2i9s s ARG 60 Ca 0.00 0.47 0.04 0.00 -2.50 0.00 0.00 55.73 53.74 2i9s s ARG 60 Cb 0.00 -0.53 -0.05 0.00 0.06 0.00 0.00 34.95 34.43 2i9s s ARG 60 CO 0.00 -0.39 0.00 0.00 -2.50 0.00 0.00 175.30 172.41 2i9s s ALA 61 N 2.30 1.98 0.05 6.12 0.00 -0.51 -1.25 121.76 130.44 2i9s s ALA 61 Ca 0.04 -1.84 0.00 0.00 0.00 0.00 0.00 51.96 50.16 2i9s s ALA 61 Cb -0.13 0.50 -0.03 0.00 0.00 0.00 0.00 23.12 23.46 2i9s s ALA 61 CO -0.07 -0.24 -0.04 0.96 0.00 0.00 0.00 175.76 176.36 2i9s s ILE 62 N -3.35 0.30 -0.23 0.00 -4.36 0.16 -1.37 121.20 112.34 2i9s s ILE 62 Ca 0.30 -1.42 -0.03 0.00 -0.26 0.00 0.00 60.65 59.24 2i9s s ILE 62 Cb 0.06 -0.99 0.07 0.00 1.25 0.00 0.00 42.46 42.85 2i9s s ILE 62 CO 0.11 -0.73 0.07 0.72 0.24 0.00 0.00 174.94 175.35 2i9s s PHE 63 N -2.69 1.05 -0.43 1.37 -0.71 -0.54 -1.80 117.98 114.22 2i9s s PHE 63 Ca -0.02 -1.04 -0.20 0.00 -1.04 0.00 0.00 56.93 54.63 2i9s s PHE 63 Cb -0.01 -1.15 0.02 0.00 -1.21 0.00 0.00 43.02 40.67 2i9s s PHE 63 CO -0.05 -0.70 0.63 1.41 -1.34 0.00 0.00 175.22 175.17 2i9s s MET 64 N 1.85 3.28 0.10 1.99 1.75 0.19 -1.47 119.30 127.00 2i9s s MET 64 Ca 0.03 -0.38 -0.30 0.00 -1.25 0.00 0.00 55.69 53.78 2i9s s MET 64 Cb -0.17 -3.95 -0.06 0.00 2.84 0.00 0.00 34.83 33.49 2i9s s MET 64 CO -0.16 -0.99 1.14 -1.17 -0.65 0.00 0.00 175.02 173.20 2i9s s LEU 65 N 2.77 4.42 -0.11 4.11 0.20 0.57 -1.70 118.68 128.93 2i9s s LEU 65 Ca 0.22 2.02 -0.09 0.00 0.69 0.00 0.00 54.13 56.97 2i9s s LEU 65 Cb -0.14 -3.59 -0.05 0.00 -0.43 0.00 0.00 46.19 41.98 2i9s s LEU 65 CO 0.18 -0.36 -0.21 -1.14 -0.29 0.00 0.00 176.35 174.54 2i9s n ARG 66 N 3.28 0.32 -0.52 1.98 0.00 -1.26 -1.55 116.66 118.92 2i9s n ARG 66 Ca 0.06 0.14 0.42 0.00 -0.00 0.00 0.00 57.85 58.47 2i9s n ARG 66 Cb 0.47 -1.06 0.71 0.00 0.00 0.00 0.00 32.46 32.58 2i9s n ARG 66 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 2i9s h ASP 67 N -0.58 0.15 0.00 6.15 3.58 -1.88 -3.42 116.42 120.43 2i9s h ASP 67 Ca -0.21 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.34 2i9s h ASP 67 Cb 0.97 0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.12 2i9s h ASP 67 CO -0.13 -0.15 0.00 0.61 -2.88 0.00 0.00 179.24 176.69 2i9s n GLY 68 N -1.64 1.96 2.69 -0.78 0.00 -1.26 -2.67 105.19 103.50 2i9s n GLY 68 Ca 0.40 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 46.21 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 0.06 -2.15 -0.59 1.61 7.64 -1.26 -4.49 113.62 114.44 2i9s n SER 69 Ca 0.00 -3.66 -0.00 0.00 1.01 0.00 0.00 58.87 56.22 2i9s n SER 69 Cb 0.00 1.77 -0.01 0.00 -1.01 0.00 0.00 64.21 64.96 2i9s n SER 69 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2i9s n TYR 70 N 0.38 0.00 -0.08 1.43 4.11 -1.26 -4.97 117.16 116.76 2i9s n TYR 70 Ca 0.07 -0.07 -0.07 0.00 -0.00 0.00 0.00 57.90 57.83 2i9s n TYR 70 Cb 0.70 0.16 -0.14 0.00 -0.00 0.00 0.00 39.34 40.06 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 0.02 1.66 1.00 -3.48 0.00 -1.26 -3.98 120.51 114.48 2i9s n ALA 71 Ca -0.02 -1.08 0.13 0.00 0.00 0.00 0.00 53.44 52.47 2i9s n ALA 71 Cb 0.61 -0.15 0.36 0.00 0.00 0.00 0.00 19.45 20.27 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 -2.59 0.00 -0.03 0.00 8.01 -1.26 -0.81 117.44 120.76 2i9s n TRP 72 Ca -0.26 0.00 -0.16 0.00 -1.31 0.00 0.00 57.50 55.77 2i9s n TRP 72 Cb 1.01 -0.32 -0.08 0.00 -2.01 0.00 0.00 31.31 29.91 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 0.01 0.56 -0.62 -0.99 4.81 -1.99 -1.65 114.58 114.71 2i9s h GLU 73 Ca 0.00 -0.45 0.12 0.00 -0.13 0.00 0.00 59.36 58.90 2i9s h GLU 73 Cb 0.50 0.09 -0.09 0.00 0.63 0.00 0.00 28.75 29.88 2i9s h GLU 73 CO 0.00 1.08 0.10 0.82 -0.73 0.00 0.00 179.01 180.28 2i9s h ILE 74 N 0.17 0.58 -0.14 2.32 2.04 -1.33 -0.66 117.51 120.48 2i9s h ILE 74 Ca -0.04 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 65.78 2i9s h ILE 74 Cb 1.18 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 2i9s h ILE 74 CO 0.11 0.04 -0.08 0.50 0.00 0.00 0.00 178.15 178.72 2i9s h LYS 75 N 0.22 -0.07 0.00 2.37 3.64 -0.78 0.18 116.57 122.14 2i9s h LYS 75 Ca 0.33 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.71 2i9s h LYS 75 Cb 0.52 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2i9s h LYS 75 CO -0.45 -0.04 -0.05 -0.44 -2.27 0.00 0.00 179.45 176.19 2i9s h ASP 76 N -0.07 0.00 0.28 4.20 3.32 -0.39 -1.27 116.42 122.50 2i9s h ASP 76 Ca 0.08 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 2i9s h ASP 76 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 2i9s h ASP 76 CO -0.19 0.05 -0.14 -0.26 -1.72 0.00 0.00 179.24 176.99 2i9s h PHE 77 N 0.00 -0.35 -0.16 4.55 0.04 0.83 -1.34 116.94 120.51 2i9s h PHE 77 Ca -0.00 -0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.68 2i9s h PHE 77 Cb 0.13 0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 2i9s h PHE 77 CO 0.00 -0.22 -0.25 1.37 -0.60 0.00 0.00 178.31 178.61 2i9s h LEU 78 N -0.99 0.29 -0.38 1.54 -0.00 -1.41 0.86 115.31 115.21 2i9s h LEU 78 Ca -0.04 -0.09 -0.03 0.00 -0.00 0.00 0.00 57.88 57.73 2i9s h LEU 78 Cb 0.29 -0.08 -0.00 0.00 -0.00 0.00 0.00 40.66 40.87 2i9s h LEU 78 CO 0.06 0.54 -0.13 0.58 -0.00 0.00 0.00 178.44 179.49 2i9s h VAL 79 N 0.26 0.25 -0.43 0.15 2.07 -1.30 0.20 116.25 117.46 2i9s h VAL 79 Ca 0.04 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.37 2i9s h VAL 79 Cb 0.58 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 2i9s h VAL 79 CO 0.04 0.13 0.00 -1.20 0.02 0.00 0.00 177.57 176.56 2i9s n SER 80 N -3.16 3.32 -0.00 0.57 7.64 -0.50 -4.36 113.62 117.12 2i9s n SER 80 Ca 0.03 -1.94 -0.17 0.00 1.01 0.00 0.00 58.87 57.79 2i9s n SER 80 Cb 0.52 -0.28 -0.12 0.00 -1.01 0.00 0.00 64.21 63.32 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 3.69 0.25 0.00 1.43 5.75 0.39 -3.49 115.11 123.13 2i9s h GLN 81 Ca 0.00 -0.31 0.00 0.00 -0.15 0.00 0.00 58.65 58.19 2i9s h GLN 81 Cb 0.88 0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.53 2i9s h GLN 81 CO 0.00 1.06 0.00 -0.40 -2.65 0.00 0.00 178.83 176.84 2i9s n ASP 82 N -4.34 0.00 -4.76 -0.69 5.68 -0.89 -5.06 116.55 106.49 2i9s n ASP 82 Ca -0.11 0.00 -0.40 0.00 -0.50 0.00 0.00 54.79 53.78 2i9s n ASP 82 Cb 0.63 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.55 2i9s n ASP 82 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2i9s s ARG 83 N 0.45 4.51 -0.01 0.11 3.00 -1.26 -4.92 118.95 120.83 2i9s s ARG 83 Ca 0.00 1.08 -0.19 0.00 0.00 0.00 0.00 55.73 56.62 2i9s s ARG 83 Cb 0.00 -3.33 0.04 0.00 0.00 0.00 0.00 34.95 31.66 2i9s s ARG 83 CO 0.00 0.39 0.42 0.00 0.00 0.00 0.00 175.30 176.11 2i9s n ALA 85 N 1.05 0.00 -3.46 0.00 0.00 -1.05 -4.53 120.51 112.52 2i9s n ALA 85 Ca -0.20 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.11 2i9s n ALA 85 Cb 0.57 0.00 -0.09 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 -1.12 0.56 -0.38 0.00 2.56 -0.53 -4.99 118.70 114.81 2i9s s GLU 86 Ca 0.00 0.74 0.01 0.00 0.00 0.00 0.00 54.97 55.72 2i9s s GLU 86 Cb 0.00 0.22 0.12 0.00 2.00 0.00 0.00 34.13 36.47 2i9s s GLU 86 CO 0.00 -0.09 0.18 0.08 -0.56 0.00 0.00 175.26 174.87 2i9s s VAL 87 N 0.55 1.05 -0.22 3.70 1.01 -1.26 0.22 120.40 125.46 2i9s s VAL 87 Ca -0.02 -1.98 -0.12 0.00 0.00 0.00 0.00 61.98 59.85 2i9s s VAL 87 Cb -0.04 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 2i9s s VAL 87 CO -0.03 -0.81 0.23 0.42 0.00 0.00 0.00 175.10 174.91 2i9s s THR 88 N 0.96 5.32 0.59 3.92 -4.23 -0.22 -4.98 115.64 116.99 2i9s s THR 88 Ca 0.14 0.35 -0.15 0.00 -1.18 0.00 0.00 61.69 60.85 2i9s s THR 88 Cb -0.21 -3.57 -0.04 0.00 1.34 0.00 0.00 72.50 70.02 2i9s s THR 88 CO -0.10 0.34 1.04 -0.76 -0.54 0.00 0.00 174.62 174.60 2i9s s LEU 89 N 0.96 3.48 0.58 4.79 1.02 -1.26 -0.89 118.68 127.36 2i9s s LEU 89 Ca 0.11 1.72 -0.10 0.00 0.02 0.00 0.00 54.13 55.89 2i9s s LEU 89 Cb -0.13 -4.52 -0.04 0.00 0.02 0.00 0.00 46.19 41.51 2i9s s LEU 89 CO 0.04 -1.04 0.97 -0.70 0.02 0.00 0.00 176.35 175.64 2i9s s GLU 90 N -4.21 3.60 -0.06 1.70 2.56 -1.22 -4.52 118.70 116.55 2i9s s GLU 90 Ca 0.62 0.63 -0.00 0.00 0.00 0.00 0.00 54.97 56.22 2i9s s GLU 90 Cb -0.14 -2.15 -0.00 0.00 2.00 0.00 0.00 34.13 33.84 2i9s s GLU 90 CO 0.38 -0.48 0.05 0.41 -0.56 0.00 0.00 175.26 175.06 2i9s n GLY 91 N -2.60 0.69 3.48 -1.50 0.00 -1.26 -4.87 105.19 99.13 2i9s n GLY 91 Ca 0.05 -0.30 -0.49 0.00 0.00 0.00 0.00 46.02 45.28 2i9s n GLY 91 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2i9s n GLN 92 N -1.47 1.27 0.00 1.61 1.13 -1.26 -2.71 117.38 115.95 2i9s n GLN 92 Ca -0.01 0.35 0.00 0.00 -1.94 0.00 0.00 57.00 55.40 2i9s n GLN 92 Cb 0.51 -2.62 0.00 0.00 0.11 0.00 0.00 30.24 28.24 2i9s n GLN 92 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 2i9s n MET 93 N 8.29 0.00 -0.34 -1.09 1.56 -1.26 -5.03 117.12 119.24 2i9s n MET 93 Ca 0.39 0.00 0.15 0.00 -0.27 0.00 0.00 57.70 57.97 2i9s n MET 93 Cb 0.27 0.00 0.37 0.00 2.15 0.00 0.00 33.22 36.01 2i9s n MET 93 CO 0.00 0.00 0.00 0.10 -0.73 0.00 0.00 175.97 175.34 2i9s h TYR 94 N 0.00 0.98 0.00 1.12 -0.00 -1.85 -0.76 116.97 116.47 2i9s h TYR 94 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 58.73 58.76 2i9s h TYR 94 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 36.73 36.44 2i9s h TYR 94 CO 0.00 0.18 0.00 -1.00 -0.00 0.00 0.00 178.16 177.34 2i9s h PRO 95 N 0.67 0.00 0.00 0.10 0.14 -1.84 -3.37 132.00 127.70 2i9s h PRO 95 Ca 0.59 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.73 2i9s h PRO 95 Cb 1.04 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.18 2i9s h PRO 95 CO -0.38 0.00 0.00 0.41 0.14 0.00 0.00 178.00 178.17 2i9s n GLY 96 N 0.99 0.11 0.00 1.56 0.00 -0.29 -4.23 105.19 103.33 2i9s n GLY 96 Ca 0.04 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.48 2i9s n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60