#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i9s n PRO 2 N 0.00 -0.45 0.00 1.61 -0.04 -1.26 -4.83 135.00 130.03 2i9s n PRO 2 Ca 0.00 -0.74 0.00 0.00 -0.04 0.00 0.00 63.50 62.72 2i9s n PRO 2 Cb 0.00 -0.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.97 2i9s n PRO 2 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2i9s n GLY 3 N 1.89 1.94 3.88 0.55 0.00 0.63 -4.88 105.19 109.21 2i9s n GLY 3 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.41 3.61 0.00 1.61 2.20 0.02 -4.57 119.74 122.21 2i9s s LYS 4 Ca 0.00 -0.04 0.00 0.00 -0.36 0.00 0.00 55.97 55.57 2i9s s LYS 4 Cb 0.00 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.26 2i9s s LYS 4 CO 0.00 0.63 0.00 -2.30 -0.36 0.00 0.00 175.35 173.32 2i9s n PRO 5 N 1.05 2.99 -0.15 4.03 -0.02 -1.26 -1.63 135.00 140.00 2i9s n PRO 5 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 2i9s n PRO 5 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 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 0.32 -0.52 1.02 -1.26 -4.81 120.64 115.39 2i9s n GLU 6 Ca 0.00 0.00 0.20 0.00 -0.02 0.00 0.00 57.16 57.34 2i9s n GLU 6 Cb 0.00 -2.37 1.06 0.00 -0.02 0.00 0.00 31.44 30.11 2i9s n GLU 6 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 2i9s h SER 7 N 0.00 0.00 0.53 1.62 0.02 -1.83 -0.15 113.55 113.74 2i9s h SER 7 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2i9s h SER 7 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2i9s h SER 7 CO 0.00 0.01 -0.37 0.16 -1.14 0.00 0.00 176.83 175.49 2i9s h ILE 8 N 0.00 0.25 0.00 3.27 -2.65 -1.88 0.85 117.51 117.35 2i9s h ILE 8 Ca -0.00 0.00 0.00 0.00 1.03 0.00 0.00 64.86 65.89 2i9s h ILE 8 Cb 0.07 0.25 0.00 0.00 -2.05 0.00 0.00 36.82 35.09 2i9s h ILE 8 CO 0.00 0.00 0.00 0.17 0.03 0.00 0.00 178.15 178.35 2i9s h LEU 9 N -0.87 0.00 -0.01 0.16 8.10 -1.58 -0.43 115.31 120.68 2i9s h LEU 9 Ca -0.06 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.88 2i9s h LEU 9 Cb 0.73 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.94 2i9s h LEU 9 CO 0.03 0.00 -0.24 0.11 -4.11 0.00 0.00 178.44 174.23 2i9s h LYS 10 N 0.00 0.00 0.00 0.17 1.57 -0.74 0.57 116.57 118.14 2i9s h LYS 10 Ca 0.00 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.45 2i9s h LYS 10 Cb 0.82 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.07 2i9s h LYS 10 CO 0.00 0.24 -2.19 -0.12 -0.57 0.00 0.00 179.45 176.81 2i9s n MET 11 N -3.16 0.67 -0.03 3.15 1.56 0.26 -4.72 117.12 114.86 2i9s n MET 11 Ca 0.03 0.06 -0.01 0.00 -0.27 0.00 0.00 57.70 57.51 2i9s n MET 11 Cb 0.63 -1.59 -0.00 0.00 2.15 0.00 0.00 33.22 34.40 2i9s n MET 11 CO 0.00 0.00 0.00 1.15 -0.73 0.00 0.00 175.97 176.39 2i9s h THR 12 N 0.00 0.00 0.00 1.12 2.02 -1.05 -3.51 112.91 111.49 2i9s h THR 12 Ca -0.46 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.15 2i9s h THR 12 Cb 2.13 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 2i9s h THR 12 CO 0.04 0.00 0.00 1.17 0.37 0.00 0.00 175.52 177.10 2i9s n LYS 13 N -3.60 0.00 0.00 6.66 4.81 0.19 -5.05 118.16 121.17 2i9s n LYS 13 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 2i9s n LYS 13 Cb 0.06 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.11 2i9s n LYS 13 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2i9s n LYS 14 N 0.00 0.00 -0.72 1.64 4.81 -1.22 -4.64 118.16 118.02 2i9s n LYS 14 Ca 0.00 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.27 2i9s n LYS 14 Cb 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.00 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 0.00 2.84 3.77 3.14 0.00 -1.24 -3.56 105.19 110.14 2i9s n GLY 15 Ca 0.00 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.81 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 2.69 4.10 -0.10 1.61 2.47 -1.26 -4.58 119.74 124.67 2i9s s LYS 16 Ca 0.42 0.17 -0.30 0.00 -1.56 0.00 0.00 55.97 54.71 2i9s s LYS 16 Cb 0.14 -3.35 -0.04 0.00 -1.46 0.00 0.00 37.83 33.12 2i9s s LYS 16 CO -0.02 0.39 1.42 0.99 0.16 0.00 0.00 175.35 178.29 2i9s s THR 17 N -0.03 3.95 -0.17 3.43 2.01 -1.25 -2.37 115.64 121.20 2i9s s THR 17 Ca 0.19 1.18 -0.00 0.00 0.31 0.00 0.00 61.69 63.37 2i9s s THR 17 Cb -0.14 -3.76 0.04 0.00 0.01 0.00 0.00 72.50 68.65 2i9s s THR 17 CO 0.07 -0.09 -0.07 -0.22 -0.69 0.00 0.00 174.62 173.62 2i9s s LEU 18 N 3.50 1.76 -0.56 4.42 1.98 -0.55 -4.97 118.68 124.26 2i9s s LEU 18 Ca 0.63 -0.71 -0.24 0.00 -2.89 0.00 0.00 54.13 50.92 2i9s s LEU 18 Cb -0.27 -0.99 0.04 0.00 0.66 0.00 0.00 46.19 45.63 2i9s s LEU 18 CO 0.22 -0.17 0.94 -0.32 -1.89 0.00 0.00 176.35 175.13 2i9s s MET 19 N 1.58 3.31 -0.32 1.98 -2.45 -1.26 0.70 119.30 122.83 2i9s s MET 19 Ca 0.00 -0.33 -0.14 0.00 -1.25 0.00 0.00 55.69 53.98 2i9s s MET 19 Cb -0.15 -4.07 -0.02 0.00 1.25 0.00 0.00 34.83 31.83 2i9s s MET 19 CO -0.08 -1.52 0.32 1.41 1.05 0.00 0.00 175.02 176.21 2i9s s MET 20 N 3.95 3.69 -0.32 4.11 1.75 -0.52 -3.36 119.30 128.60 2i9s s MET 20 Ca 0.29 -0.35 -0.12 0.00 -1.25 0.00 0.00 55.69 54.27 2i9s s MET 20 Cb -0.13 -3.76 -0.02 0.00 2.84 0.00 0.00 34.83 33.76 2i9s s MET 20 CO 0.18 -0.42 0.21 0.12 -0.65 0.00 0.00 175.02 174.46 2i9s s PHE 21 N 1.95 3.22 -0.09 4.11 2.19 -0.19 -1.52 117.98 127.65 2i9s s PHE 21 Ca 0.11 -0.19 0.01 0.00 0.33 0.00 0.00 56.93 57.19 2i9s s PHE 21 Cb -0.16 -2.43 0.02 0.00 -1.31 0.00 0.00 43.02 39.13 2i9s s PHE 21 CO 0.11 -0.33 -0.12 0.54 1.83 0.00 0.00 175.22 177.25 2i9s s VAL 22 N 1.71 1.23 -0.02 3.12 0.11 -0.38 -0.62 120.40 125.56 2i9s s VAL 22 Ca 0.06 -0.49 -0.25 0.00 -2.93 0.00 0.00 61.98 58.37 2i9s s VAL 22 Cb -0.17 -1.15 -0.04 0.00 -1.53 0.00 0.00 36.38 33.49 2i9s s VAL 22 CO 0.10 0.39 0.78 -0.89 -3.33 0.00 0.00 175.10 172.15 2i9s s THR 23 N 1.04 4.92 -0.02 5.04 2.01 0.17 -1.37 115.64 127.44 2i9s s THR 23 Ca -0.07 1.64 0.03 0.00 0.31 0.00 0.00 61.69 63.60 2i9s s THR 23 Cb -0.15 -4.13 -0.00 0.00 0.01 0.00 0.00 72.50 68.24 2i9s s THR 23 CO -0.01 0.26 -0.11 0.54 -0.69 0.00 0.00 174.62 174.61 2i9s s VAL 24 N 0.63 0.89 0.00 3.82 0.11 0.55 -1.29 120.40 125.11 2i9s s VAL 24 Ca 0.41 -0.44 0.00 0.00 -2.93 0.00 0.00 61.98 59.02 2i9s s VAL 24 Cb -0.19 -0.76 0.00 0.00 -1.53 0.00 0.00 36.38 33.89 2i9s s VAL 24 CO 0.22 0.26 0.00 -0.24 -3.33 0.00 0.00 175.10 172.01 2i9s n SER 25 N 3.06 0.00 0.00 3.54 2.88 -1.26 -4.44 113.62 117.40 2i9s n SER 25 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 2i9s n SER 25 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 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 4.28 -0.28 3.33 0.46 0.00 -1.26 -4.64 105.19 107.08 2i9s n GLY 26 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2i9s n GLY 26 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2i9s s ASN 27 N 0.00 3.30 -0.13 1.61 0.01 -1.26 -4.99 114.94 113.48 2i9s s ASN 27 Ca 0.00 -0.43 -0.01 0.00 -0.71 0.00 0.00 52.86 51.72 2i9s s ASN 27 Cb 0.00 -0.71 0.07 0.00 0.41 0.00 0.00 41.25 41.02 2i9s s ASN 27 CO 0.00 0.29 2.07 -0.81 -1.51 0.00 0.00 177.10 177.13 2i9s n PRO 28 N 2.69 1.35 -3.91 -0.60 -0.04 -1.26 -4.66 135.00 128.57 2i9s n PRO 28 Ca -0.17 -0.65 -0.11 0.00 -0.04 0.00 0.00 63.50 62.53 2i9s n PRO 28 Cb 0.52 -1.28 -0.13 0.00 -0.04 0.00 0.00 33.50 32.57 2i9s n PRO 28 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2i9s s THR 29 N -0.87 0.04 -1.24 0.52 2.01 -1.12 -4.98 115.64 110.00 2i9s s THR 29 Ca 0.14 -0.30 0.12 0.00 0.31 0.00 0.00 61.69 61.97 2i9s s THR 29 Cb 0.11 -0.10 0.17 0.00 0.01 0.00 0.00 72.50 72.69 2i9s s THR 29 CO -0.01 -0.16 1.34 1.21 -0.69 0.00 0.00 174.62 176.31 2i9s n GLU 30 N 2.59 0.10 -0.35 4.92 2.13 -1.26 -2.24 120.64 126.53 2i9s n GLU 30 Ca -0.16 0.22 0.10 0.00 0.66 0.00 0.00 57.16 57.98 2i9s n GLU 30 Cb 0.58 -1.50 0.28 0.00 0.27 0.00 0.00 31.44 31.07 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 0.80 0.36 5.31 3.11 -1.94 0.42 116.57 124.63 2i9s h LYS 31 Ca 0.00 -0.05 -0.02 0.00 -2.81 0.00 0.00 60.65 57.77 2i9s h LYS 31 Cb 0.16 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 31.21 2i9s h LYS 31 CO 0.00 0.53 -0.18 1.49 -2.81 0.00 0.00 179.45 178.48 2i9s h GLU 32 N 0.82 -0.47 -0.99 1.90 4.57 -1.77 -1.90 114.58 116.74 2i9s h GLU 32 Ca 0.53 0.03 0.25 0.00 -1.18 0.00 0.00 59.36 58.99 2i9s h GLU 32 Cb 0.72 0.11 -0.19 0.00 -0.16 0.00 0.00 28.75 29.23 2i9s h GLU 32 CO -0.34 -0.16 -0.07 2.41 -1.18 0.00 0.00 179.01 179.67 2i9s n THR 33 N -5.13 -0.42 0.06 0.32 -1.04 -0.99 -1.07 114.28 106.01 2i9s n THR 33 Ca -0.09 2.21 -0.12 0.00 -2.04 0.00 0.00 64.05 64.02 2i9s n THR 33 Cb 0.27 -3.17 -0.08 0.00 -1.82 0.00 0.00 70.33 65.53 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 -0.21 -0.40 -2.82 4.11 0.07 0.53 114.58 115.87 2i9s h GLU 34 Ca 0.56 0.01 -0.08 0.00 0.07 0.00 0.00 59.36 59.92 2i9s h GLU 34 Cb 1.06 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 2i9s h GLU 34 CO -0.96 0.22 -0.07 1.05 0.07 0.00 0.00 179.01 179.31 2i9s h GLU 35 N -0.76 0.68 -0.44 1.06 4.11 -1.09 -1.48 114.58 116.66 2i9s h GLU 35 Ca -0.02 -0.20 -0.11 0.00 0.07 0.00 0.00 59.36 59.10 2i9s h GLU 35 Cb 0.52 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2i9s h GLU 35 CO 0.04 0.74 -0.17 0.82 0.07 0.00 0.00 179.01 180.51 2i9s h ILE 36 N 0.62 1.27 -0.39 -1.06 2.04 -1.14 -1.49 117.51 117.37 2i9s h ILE 36 Ca 0.12 -1.31 -0.16 0.00 1.00 0.00 0.00 64.86 64.51 2i9s h ILE 36 Cb 0.50 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 2i9s h ILE 36 CO 0.03 0.44 -0.38 0.71 0.00 0.00 0.00 178.15 178.95 2i9s h THR 37 N 0.72 1.27 0.07 -0.27 1.35 0.74 0.46 112.91 117.24 2i9s h THR 37 Ca 0.10 -1.56 -0.00 0.00 -0.55 0.00 0.00 66.41 64.40 2i9s h THR 37 Cb 0.73 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 2i9s h THR 37 CO 0.06 0.52 -0.03 0.77 -0.25 0.00 0.00 175.52 176.58 2i9s h SER 38 N 0.76 -0.08 -0.05 5.36 4.64 -1.33 0.15 113.55 123.01 2i9s h SER 38 Ca 0.06 -0.21 -0.00 0.00 -0.47 0.00 0.00 61.79 61.17 2i9s h SER 38 Cb 0.98 0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2i9s h SER 38 CO 0.10 0.17 0.03 -0.07 -0.87 0.00 0.00 176.83 176.18 2i9s h LEU 39 N -0.33 0.07 0.00 5.97 3.38 -1.14 0.15 115.31 123.41 2i9s h LEU 39 Ca -0.01 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2i9s h LEU 39 Cb 0.29 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2i9s h LEU 39 CO 0.02 0.14 0.00 0.79 0.09 0.00 0.00 178.44 179.48 2i9s n TRP 40 N -5.00 0.00 0.31 1.13 7.02 0.16 -1.17 117.44 119.88 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 0.07 -0.40 0.64 0.00 -2.42 0.00 0.00 31.31 29.20 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 -0.13 -0.99 3.07 -1.09 0.36 115.11 116.33 2i9s h GLN 41 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.73 2i9s h GLN 41 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.55 2i9s h GLN 41 CO 0.00 0.00 0.06 0.78 0.09 0.00 0.00 178.83 179.76 2i9s h GLY 42 N 2.12 0.20 1.64 0.06 0.00 -0.95 -0.47 103.07 105.69 2i9s h GLY 42 Ca 0.00 -0.11 -0.26 0.00 0.00 0.00 0.00 47.33 46.97 2i9s h GLY 42 CO 0.00 0.10 -1.15 1.48 0.00 0.00 0.00 176.54 176.97 2i9s h SER 43 N 0.06 0.41 -0.20 0.19 4.64 -0.45 0.31 113.55 118.53 2i9s h SER 43 Ca 0.04 -0.41 -0.03 0.00 -0.47 0.00 0.00 61.79 60.92 2i9s h SER 43 Cb 0.15 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 2i9s h SER 43 CO -0.00 1.29 0.06 -0.07 -0.87 0.00 0.00 176.83 177.24 2i9s h LEU 44 N 0.10 0.36 0.00 5.97 3.38 -0.26 0.16 115.31 125.01 2i9s h LEU 44 Ca -0.11 -0.04 -0.26 0.00 0.09 0.00 0.00 57.88 57.55 2i9s h LEU 44 Cb 1.86 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 42.48 2i9s h LEU 44 CO 0.19 0.38 -1.46 -0.26 0.09 0.00 0.00 178.44 177.37 2i9s h PHE 45 N 0.39 0.00 -0.38 1.13 -1.00 -1.08 -2.35 116.94 113.65 2i9s h PHE 45 Ca 0.09 -0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.79 2i9s h PHE 45 Cb 0.17 -0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.71 2i9s h PHE 45 CO 0.00 1.00 -0.12 -0.97 -1.61 0.00 0.00 178.31 176.62 2i9s h ASN 46 N 0.00 0.66 -0.10 2.17 -1.24 0.06 -1.20 115.58 115.93 2i9s h ASN 46 Ca -0.19 -0.19 0.00 0.00 0.71 0.00 0.00 56.30 56.63 2i9s h ASN 46 Cb 1.93 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 40.80 2i9s h ASN 46 CO 0.10 0.81 0.00 0.00 -1.29 0.00 0.00 177.43 177.04 2i9s n ALA 47 N -2.48 2.55 -3.53 1.57 0.00 0.47 -4.92 120.51 114.17 2i9s n ALA 47 Ca 0.01 -0.36 -0.20 0.00 0.00 0.00 0.00 53.44 52.90 2i9s n ALA 47 Cb 0.35 -1.17 0.07 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.12 -2.72 0.09 0.00 5.15 -0.45 -4.93 115.26 112.28 2i9s n ASN 48 Ca 0.15 -0.65 0.10 0.00 -0.60 0.00 0.00 54.58 53.58 2i9s n ASN 48 Cb 0.22 -4.86 0.42 0.00 -0.53 0.00 0.00 39.78 35.04 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 -4.33 0.53 -2.74 1.20 4.01 -0.88 -4.95 117.16 110.00 2i9s n TYR 49 Ca -0.23 0.22 -0.06 0.00 -0.16 0.00 0.00 57.90 57.67 2i9s n TYR 49 Cb 0.65 -0.86 0.01 0.00 -0.31 0.00 0.00 39.34 38.83 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 -2.00 -7.31 -3.51 7.72 2.03 -1.26 -4.87 116.55 107.35 2i9s n ASP 50 Ca 0.02 0.39 -0.18 0.00 0.52 0.00 0.00 54.79 55.54 2i9s n ASP 50 Cb 0.17 -4.93 -0.08 0.00 -0.72 0.00 0.00 41.12 35.56 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 -2.54 0.00 -0.02 5.18 -7.23 -1.26 -4.11 120.40 110.42 2i9s s VAL 51 Ca 0.18 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.40 2i9s s VAL 51 Cb -0.05 -2.51 0.03 0.00 0.56 0.00 0.00 36.38 34.40 2i9s s VAL 51 CO 0.69 0.00 0.02 -1.58 -0.31 0.00 0.00 175.10 173.91 2i9s s GLN 52 N -3.55 0.09 0.02 4.82 0.74 -0.67 -5.00 119.66 116.11 2i9s s GLN 52 Ca 0.39 0.13 0.01 0.00 0.05 0.00 0.00 55.36 55.94 2i9s s GLN 52 Cb 0.03 -0.31 -0.01 0.00 1.10 0.00 0.00 33.01 33.82 2i9s s GLN 52 CO 0.24 -0.14 -0.04 1.03 -0.55 0.00 0.00 175.29 175.83 2i9s s ARG 53 N 0.93 0.33 0.06 1.67 0.52 -1.26 0.13 118.95 121.32 2i9s s ARG 53 Ca -0.08 -0.44 0.03 0.00 -0.52 0.00 0.00 55.73 54.71 2i9s s ARG 53 Cb -0.12 -0.13 -0.03 0.00 0.52 0.00 0.00 34.95 35.19 2i9s s ARG 53 CO -0.02 0.02 -0.09 0.12 0.02 0.00 0.00 175.30 175.35 2i9s s PHE 54 N -0.87 0.83 -0.48 -0.53 5.36 -0.83 -4.95 117.98 116.51 2i9s s PHE 54 Ca -0.07 -0.54 -0.19 0.00 -0.96 0.00 0.00 56.93 55.17 2i9s s PHE 54 Cb -0.06 -0.48 0.05 0.00 -0.34 0.00 0.00 43.02 42.18 2i9s s PHE 54 CO -0.00 -0.05 0.61 0.42 -1.46 0.00 0.00 175.22 174.74 2i9s s ILE 55 N -1.62 4.88 -0.23 3.12 1.01 -1.26 -1.09 121.20 126.01 2i9s s ILE 55 Ca -0.05 -0.32 -0.15 0.00 0.00 0.00 0.00 60.65 60.13 2i9s s ILE 55 Cb -0.08 -4.25 -0.17 0.00 0.01 0.00 0.00 42.46 37.97 2i9s s ILE 55 CO 0.00 -0.72 -0.03 0.52 0.00 0.00 0.00 174.94 174.72 2i9s n VAL 56 N 5.66 1.56 -3.85 2.92 0.31 -1.14 -5.04 118.33 118.76 2i9s n VAL 56 Ca -0.05 -0.27 -0.05 0.00 -0.01 0.00 0.00 64.34 63.95 2i9s n VAL 56 Cb 0.46 -1.90 0.02 0.00 -0.91 0.00 0.00 33.84 31.51 2i9s n VAL 56 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2i9s s GLY 57 N -5.32 0.16 0.00 2.92 0.00 -0.44 -4.94 107.32 99.71 2i9s s GLY 57 Ca -0.33 -0.43 -0.02 0.00 0.00 0.00 0.00 44.72 43.95 2i9s s GLY 57 CO 0.57 1.32 1.76 -1.14 0.00 0.00 0.00 173.10 175.62 2i9s n SER 58 N -1.21 3.37 0.00 1.64 3.41 -1.26 -1.38 113.62 118.20 2i9s n SER 58 Ca -0.05 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.57 2i9s n SER 58 Cb 0.60 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 2i9s n SER 58 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2i9s n ASP 59 N 2.08 0.00 -4.07 4.04 5.75 -1.26 -2.78 116.55 120.31 2i9s n ASP 59 Ca 0.11 0.00 -0.25 0.00 -0.01 0.00 0.00 54.79 54.64 2i9s n ASP 59 Cb 0.43 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 40.35 2i9s n ASP 59 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2i9s s ARG 60 N 0.00 1.64 0.09 0.11 3.00 -0.48 -0.33 118.95 122.99 2i9s s ARG 60 Ca 0.00 -0.49 -0.05 0.00 0.00 0.00 0.00 55.73 55.19 2i9s s ARG 60 Cb 0.00 -1.40 -0.02 0.00 0.00 0.00 0.00 34.95 33.52 2i9s s ARG 60 CO 0.00 0.14 0.11 0.00 0.00 0.00 0.00 175.30 175.55 2i9s s ALA 61 N 0.30 0.22 0.06 2.13 0.00 -0.47 -1.32 121.76 122.67 2i9s s ALA 61 Ca -0.08 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.90 2i9s s ALA 61 Cb -0.13 0.52 -0.03 0.00 0.00 0.00 0.00 23.12 23.48 2i9s s ALA 61 CO 0.03 -0.48 -0.05 0.96 0.00 0.00 0.00 175.76 176.22 2i9s s ILE 62 N -3.92 0.38 -0.18 0.00 -4.36 -0.25 -1.25 121.20 111.62 2i9s s ILE 62 Ca 0.10 -1.55 -0.00 0.00 -0.26 0.00 0.00 60.65 58.94 2i9s s ILE 62 Cb 0.06 -1.17 0.05 0.00 1.25 0.00 0.00 42.46 42.65 2i9s s ILE 62 CO -0.07 -0.76 -0.05 0.72 0.24 0.00 0.00 174.94 175.02 2i9s s PHE 63 N -2.93 1.79 -0.30 1.37 -0.71 -0.57 -1.97 117.98 114.66 2i9s s PHE 63 Ca 0.01 -1.20 -0.14 0.00 -1.04 0.00 0.00 56.93 54.56 2i9s s PHE 63 Cb 0.01 -1.35 -0.03 0.00 -1.21 0.00 0.00 43.02 40.44 2i9s s PHE 63 CO -0.05 -0.65 0.33 1.41 -1.34 0.00 0.00 175.22 174.92 2i9s s MET 64 N 1.60 3.82 0.41 1.99 1.75 0.34 -1.44 119.30 127.78 2i9s s MET 64 Ca -0.01 -0.21 -0.24 0.00 -1.25 0.00 0.00 55.69 53.98 2i9s s MET 64 Cb -0.16 -3.72 -0.09 0.00 2.84 0.00 0.00 34.83 33.71 2i9s s MET 64 CO -0.07 -0.36 1.09 -0.51 -0.65 0.00 0.00 175.02 174.52 2i9s s LEU 65 N 1.99 4.11 0.06 4.11 1.02 0.22 -1.67 118.68 128.52 2i9s s LEU 65 Ca 0.12 2.14 -0.01 0.00 0.02 0.00 0.00 54.13 56.39 2i9s s LEU 65 Cb -0.16 -4.18 -0.00 0.00 0.02 0.00 0.00 46.19 41.86 2i9s s LEU 65 CO 0.11 -0.61 -0.02 -1.14 0.02 0.00 0.00 176.35 174.70 2i9s n ARG 66 N -0.15 0.04 0.00 1.70 0.63 -1.26 -1.48 116.66 116.13 2i9s n ARG 66 Ca 0.05 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 57.00 2i9s n ARG 66 Cb 0.49 -0.47 0.00 0.00 0.45 0.00 0.00 32.46 32.93 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 -3.35 0.45 0.00 6.15 2.03 -1.26 -3.81 116.55 116.75 2i9s n ASP 67 Ca -0.01 -1.19 0.00 0.00 0.52 0.00 0.00 54.79 54.11 2i9s n ASP 67 Cb 0.04 -0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.21 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 0.18 0.00 1.48 0.27 0.00 -1.00 -3.69 105.19 102.43 2i9s n GLY 68 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 4.24 -3.69 1.61 7.64 -1.26 -4.79 113.62 117.38 2i9s n SER 69 Ca 0.00 -2.66 -0.12 0.00 1.01 0.00 0.00 58.87 57.10 2i9s n SER 69 Cb 0.00 -0.63 -0.12 0.00 -1.01 0.00 0.00 64.21 62.44 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 -2.22 -0.47 0.00 1.43 -0.85 -1.26 -4.95 117.35 109.03 2i9s s TYR 70 Ca 0.38 1.03 0.00 0.00 -0.52 0.00 0.00 57.07 57.96 2i9s s TYR 70 Cb 0.29 0.09 0.00 0.00 0.38 0.00 0.00 41.96 42.72 2i9s s TYR 70 CO 0.11 -0.32 0.00 0.00 -1.52 0.00 0.00 175.55 173.81 2i9s n ALA 71 N 4.75 0.00 0.01 9.51 0.00 -1.26 -4.75 120.51 128.78 2i9s n ALA 71 Ca -0.17 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.23 2i9s n ALA 71 Cb 0.52 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.86 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 0.00 -0.20 0.00 6.55 -1.96 0.73 115.95 121.07 2i9s h TRP 72 Ca 0.00 0.00 -0.20 0.00 0.95 0.00 0.00 58.89 59.64 2i9s h TRP 72 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.30 2i9s h TRP 72 CO 0.00 0.83 -0.67 1.49 -1.05 0.00 0.00 178.44 179.04 2i9s h GLU 73 N 0.00 0.77 -0.49 0.49 4.81 -1.97 -2.00 114.58 116.20 2i9s h GLU 73 Ca -0.21 -0.56 0.09 0.00 -0.13 0.00 0.00 59.36 58.55 2i9s h GLU 73 Cb 1.82 0.10 -0.08 0.00 0.63 0.00 0.00 28.75 31.21 2i9s h GLU 73 CO 0.07 1.18 -0.02 0.82 -0.73 0.00 0.00 179.01 180.33 2i9s h ILE 74 N 0.56 0.60 -0.44 2.32 2.04 -1.90 -1.56 117.51 119.13 2i9s h ILE 74 Ca -0.02 -0.03 -0.11 0.00 1.00 0.00 0.00 64.86 65.70 2i9s h ILE 74 Cb 1.28 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 2i9s h ILE 74 CO 0.14 0.02 -0.15 0.07 0.00 0.00 0.00 178.15 178.23 2i9s h LYS 75 N 0.09 0.83 -0.52 2.37 2.10 -0.66 -1.75 116.57 119.02 2i9s h LYS 75 Ca 0.24 -0.30 0.08 0.00 -2.00 0.00 0.00 60.65 58.67 2i9s h LYS 75 Cb 0.37 -0.06 -0.06 0.00 -0.90 0.00 0.00 32.23 31.58 2i9s h LYS 75 CO -0.42 0.92 0.18 0.22 -2.00 0.00 0.00 179.45 178.35 2i9s h ASP 76 N 0.74 0.17 0.90 7.07 1.82 -0.68 -1.56 116.42 124.87 2i9s h ASP 76 Ca 0.11 0.07 -0.04 0.00 -0.39 0.00 0.00 57.03 56.78 2i9s h ASP 76 Cb 0.66 0.06 0.01 0.00 0.68 0.00 0.00 39.33 40.73 2i9s h ASP 76 CO 0.05 0.12 -0.43 -0.26 -1.61 0.00 0.00 179.24 177.10 2i9s h PHE 77 N 0.35 -1.12 -0.77 0.28 0.04 -0.48 -1.21 116.94 114.04 2i9s h PHE 77 Ca 0.25 -0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.95 2i9s h PHE 77 Cb 0.29 0.37 -0.03 0.00 2.20 0.00 0.00 35.95 38.77 2i9s h PHE 77 CO -0.17 -0.69 0.30 1.37 -0.60 0.00 0.00 178.31 178.52 2i9s h LEU 78 N -1.25 1.06 0.00 1.54 8.10 -1.25 0.75 115.31 124.26 2i9s h LEU 78 Ca -0.12 -0.18 0.00 0.00 0.11 0.00 0.00 57.88 57.69 2i9s h LEU 78 Cb 0.93 -0.28 0.00 0.00 -0.44 0.00 0.00 40.66 40.87 2i9s h LEU 78 CO 0.20 0.95 -0.02 1.33 -4.11 0.00 0.00 178.44 176.79 2i9s n VAL 79 N -4.30 0.35 1.13 0.15 0.24 -0.60 -0.52 118.33 114.79 2i9s n VAL 79 Ca 0.07 -0.17 0.13 0.00 -2.04 0.00 0.00 64.34 62.32 2i9s n VAL 79 Cb 0.19 -0.53 0.21 0.00 -1.47 0.00 0.00 33.84 32.24 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 -1.96 2.59 -0.08 -1.34 7.64 -0.46 -4.43 113.62 115.57 2i9s n SER 80 Ca 0.06 -1.86 -0.13 0.00 1.01 0.00 0.00 58.87 57.95 2i9s n SER 80 Cb 0.39 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.53 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 4.05 0.00 0.00 1.43 5.75 0.31 -3.49 115.11 123.16 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 0.86 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.41 2i9s h GLN 81 CO 0.00 0.55 0.00 -3.47 -2.65 0.00 0.00 178.83 173.26 2i9s n ASP 82 N -4.55 0.00 -4.93 -0.69 2.03 -0.72 -5.07 116.55 102.62 2i9s n ASP 82 Ca -0.18 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 54.85 2i9s n ASP 82 Cb 0.45 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.81 2i9s n ASP 82 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2i9s s ARG 83 N 0.30 3.47 0.05 -0.67 1.81 -1.26 -4.94 118.95 117.70 2i9s s ARG 83 Ca 0.00 -0.48 -0.17 0.00 -1.72 0.00 0.00 55.73 53.37 2i9s s ARG 83 Cb 0.00 -2.95 0.03 0.00 -0.45 0.00 0.00 34.95 31.58 2i9s s ARG 83 CO 0.00 0.52 0.37 0.00 -0.68 0.00 0.00 175.30 175.51 2i9s n ALA 85 N 0.50 0.00 -3.54 0.00 0.00 -1.18 -4.06 120.51 112.23 2i9s n ALA 85 Ca -0.18 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.19 2i9s n ALA 85 Cb 0.60 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.97 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 -2.00 0.39 -0.44 0.00 2.12 -0.41 -5.01 118.70 113.35 2i9s s GLU 86 Ca 0.00 0.99 -0.08 0.00 0.36 0.00 0.00 54.97 56.24 2i9s s GLU 86 Cb 0.00 0.26 0.10 0.00 0.26 0.00 0.00 34.13 34.75 2i9s s GLU 86 CO 0.00 -0.36 0.29 0.08 -0.54 0.00 0.00 175.26 174.73 2i9s s VAL 87 N 2.66 4.04 -0.25 3.70 1.01 -1.26 0.44 120.40 130.75 2i9s s VAL 87 Ca 0.03 -1.71 -0.08 0.00 0.00 0.00 0.00 61.98 60.23 2i9s s VAL 87 Cb -0.13 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 2i9s s VAL 87 CO -0.15 -0.67 0.09 0.42 0.00 0.00 0.00 175.10 174.79 2i9s s THR 88 N 1.34 4.47 0.62 3.92 -4.23 0.21 -4.99 115.64 116.99 2i9s s THR 88 Ca 0.05 -0.12 -0.14 0.00 -1.18 0.00 0.00 61.69 60.30 2i9s s THR 88 Cb -0.25 -3.09 -0.02 0.00 1.34 0.00 0.00 72.50 70.48 2i9s s THR 88 CO -0.00 0.33 1.05 -0.76 -0.54 0.00 0.00 174.62 174.70 2i9s s LEU 89 N 1.56 3.37 0.32 4.79 1.02 -1.26 -1.03 118.68 127.45 2i9s s LEU 89 Ca 0.06 1.71 0.01 0.00 0.02 0.00 0.00 54.13 55.93 2i9s s LEU 89 Cb -0.15 -4.51 -0.03 0.00 0.02 0.00 0.00 46.19 41.51 2i9s s LEU 89 CO 0.05 -1.20 0.51 -0.70 0.02 0.00 0.00 176.35 175.03 2i9s s GLU 90 N -4.46 3.48 -0.33 1.70 2.12 -1.21 -4.82 118.70 115.18 2i9s s GLU 90 Ca 0.61 -0.39 -0.00 0.00 0.36 0.00 0.00 54.97 55.54 2i9s s GLU 90 Cb -0.15 -2.70 -0.00 0.00 0.26 0.00 0.00 34.13 31.54 2i9s s GLU 90 CO 0.43 0.20 0.30 0.41 -0.54 0.00 0.00 175.26 176.07 2i9s n GLY 91 N -1.67 -0.62 3.44 -1.50 0.00 -1.26 -4.79 105.19 98.79 2i9s n GLY 91 Ca -0.05 0.08 -0.50 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.42 0.94 -0.37 1.61 6.02 -1.26 -4.56 117.38 118.33 2i9s n GLN 92 Ca -0.00 0.24 0.00 0.00 -0.01 0.00 0.00 57.00 57.23 2i9s n GLN 92 Cb 0.51 -2.39 0.00 0.00 1.02 0.00 0.00 30.24 29.37 2i9s n GLN 92 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 2i9s n MET 93 N 8.21 0.00 -3.89 -1.09 2.81 -1.26 -5.07 117.12 116.83 2i9s n MET 93 Ca 0.43 -0.09 -0.30 0.00 -1.81 0.00 0.00 57.70 55.94 2i9s n MET 93 Cb 0.22 -0.05 -0.14 0.00 -0.71 0.00 0.00 33.22 32.54 2i9s n MET 93 CO 0.00 0.00 0.00 1.52 1.51 0.00 0.00 175.97 179.00 2i9s s TYR 94 N 0.00 2.87 -2.04 2.03 -0.85 -1.26 -3.95 117.35 114.14 2i9s s TYR 94 Ca 0.00 -2.86 0.26 0.00 -0.52 0.00 0.00 57.07 53.94 2i9s s TYR 94 Cb 0.00 -2.52 0.59 0.00 0.38 0.00 0.00 41.96 40.41 2i9s s TYR 94 CO 0.00 -0.79 1.47 -0.35 -1.52 0.00 0.00 175.55 174.35 2i9s n PRO 95 N 3.51 1.18 -1.18 -3.49 -0.04 -1.26 -4.99 135.00 128.73 2i9s n PRO 95 Ca 0.05 -0.80 0.00 0.00 -0.04 0.00 0.00 63.50 62.72 2i9s n PRO 95 Cb 0.35 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 2i9s n PRO 95 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2i9s n GLY 96 N 1.33 -0.45 0.00 0.55 0.00 -1.26 -4.95 105.19 100.40 2i9s n GLY 96 Ca 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2i9s n GLY 96 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90