#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 0.98 -0.09 1.61 -0.02 -1.26 -3.61 135.00 132.61 2i9s n PRO 2 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.44 2i9s n PRO 2 Cb 0.00 -1.34 0.18 0.00 -0.02 0.00 0.00 33.50 32.32 2i9s n PRO 2 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2i9s h GLY 3 N 5.20 0.79 -4.51 -1.23 0.00 -2.01 -3.41 103.07 97.89 2i9s h GLY 3 Ca 0.00 -0.52 -0.56 0.00 0.00 0.00 0.00 47.33 46.24 2i9s h GLY 3 CO 0.00 0.48 0.00 -1.59 0.00 0.00 0.00 176.54 175.44 2i9s s LYS 4 N -4.95 4.26 0.00 4.80 -2.85 -1.24 -4.95 119.74 114.81 2i9s s LYS 4 Ca -0.09 0.81 0.00 0.00 -1.00 0.00 0.00 55.97 55.69 2i9s s LYS 4 Cb 0.15 -3.23 0.00 0.00 -2.06 0.00 0.00 37.83 32.69 2i9s s LYS 4 CO 0.80 0.62 0.74 -2.30 0.10 0.00 0.00 175.35 175.32 2i9s n PRO 5 N 1.66 0.54 0.26 1.78 -0.02 -1.26 -1.11 135.00 136.84 2i9s n PRO 5 Ca -0.09 0.00 0.15 0.00 -2.02 0.00 0.00 63.50 61.53 2i9s n PRO 5 Cb 0.50 -1.23 0.55 0.00 -0.02 0.00 0.00 33.50 33.31 2i9s n PRO 5 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2i9s h GLU 6 N 1.45 0.00 -1.14 -0.52 4.39 -1.89 -3.49 114.58 113.39 2i9s h GLU 6 Ca 0.00 0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.82 2i9s h GLU 6 Cb 0.54 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.14 2i9s h GLU 6 CO 0.00 0.06 -0.34 0.43 -1.16 0.00 0.00 179.01 178.00 2i9s n SER 7 N -3.16 -2.82 -0.06 1.42 7.64 -0.27 -1.44 113.62 114.93 2i9s n SER 7 Ca 0.01 0.39 0.24 0.00 1.01 0.00 0.00 58.87 60.52 2i9s n SER 7 Cb 0.37 -1.59 0.59 0.00 -1.01 0.00 0.00 64.21 62.57 2i9s n SER 7 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2i9s h ILE 8 N -0.47 0.16 0.28 0.44 2.04 -1.86 -1.45 117.51 116.67 2i9s h ILE 8 Ca -0.04 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 2i9s h ILE 8 Cb 0.46 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 2i9s h ILE 8 CO 0.02 0.00 -0.14 -0.07 0.00 0.00 0.00 178.15 177.96 2i9s h LEU 9 N 0.00 -0.32 -0.51 1.44 3.38 -1.76 0.82 115.31 118.35 2i9s h LEU 9 Ca 0.34 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.19 2i9s h LEU 9 Cb 2.03 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.86 2i9s h LEU 9 CO -0.00 0.15 -0.23 0.11 0.09 0.00 0.00 178.44 178.56 2i9s h LYS 10 N -1.06 0.00 -0.24 1.13 1.57 -0.79 0.29 116.57 117.46 2i9s h LYS 10 Ca -0.04 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.62 2i9s h LYS 10 Cb 0.38 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 2i9s h LYS 10 CO 0.06 0.23 -0.34 1.98 -0.57 0.00 0.00 179.45 180.82 2i9s h MET 11 N 0.00 0.65 0.00 3.15 4.05 -1.32 -3.44 114.93 118.02 2i9s h MET 11 Ca -0.00 -0.38 0.00 0.00 -0.28 0.00 0.00 59.70 59.04 2i9s h MET 11 Cb 0.99 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.82 2i9s h MET 11 CO 0.03 0.99 0.00 2.41 0.23 0.00 0.00 176.91 180.58 2i9s n THR 12 N -4.26 0.00 -3.46 -0.77 -1.04 0.06 -5.05 114.28 99.76 2i9s n THR 12 Ca -0.05 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.53 2i9s n THR 12 Cb 0.50 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.97 2i9s n THR 12 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2i9s s LYS 13 N -1.00 3.39 -0.01 -2.82 -0.14 0.97 -4.67 119.74 115.46 2i9s s LYS 13 Ca 0.00 -2.67 0.11 0.00 -1.36 0.00 0.00 55.97 52.05 2i9s s LYS 13 Cb 0.00 -4.22 -0.16 0.00 -1.68 0.00 0.00 37.83 31.76 2i9s s LYS 13 CO 0.00 -1.25 0.24 1.63 -0.76 0.00 0.00 175.35 175.21 2i9s n LYS 14 N 3.51 0.42 -3.10 1.68 4.76 -1.24 -2.97 118.16 121.22 2i9s n LYS 14 Ca 0.14 -0.09 -0.17 0.00 -2.87 0.00 0.00 58.31 55.32 2i9s n LYS 14 Cb 0.43 -1.25 -0.01 0.00 -1.84 0.00 0.00 35.03 32.36 2i9s n LYS 14 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2i9s n GLY 15 N 1.87 2.98 3.01 0.72 0.00 -1.03 -4.65 105.19 108.09 2i9s n GLY 15 Ca -0.02 -1.36 -0.22 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.83 1.14 -0.14 1.61 2.47 -1.06 -4.90 119.74 117.04 2i9s s LYS 16 Ca 0.36 -0.34 -0.29 0.00 -1.56 0.00 0.00 55.97 54.14 2i9s s LYS 16 Cb 0.33 -1.04 -0.01 0.00 -1.46 0.00 0.00 37.83 35.65 2i9s s LYS 16 CO -0.08 0.10 1.08 0.99 0.16 0.00 0.00 175.35 177.60 2i9s s THR 17 N 0.29 4.60 -0.27 3.43 2.01 -1.26 -1.50 115.64 122.93 2i9s s THR 17 Ca -0.05 1.90 -0.02 0.00 0.31 0.00 0.00 61.69 63.83 2i9s s THR 17 Cb -0.10 -4.22 0.09 0.00 0.01 0.00 0.00 72.50 68.27 2i9s s THR 17 CO 0.01 -0.07 0.08 -0.22 -0.69 0.00 0.00 174.62 173.73 2i9s s LEU 18 N 2.56 1.80 -0.31 4.42 2.96 -0.58 -4.99 118.68 124.53 2i9s s LEU 18 Ca 0.49 -1.36 -0.26 0.00 -0.22 0.00 0.00 54.13 52.78 2i9s s LEU 18 Cb -0.19 -0.76 0.01 0.00 0.50 0.00 0.00 46.19 45.75 2i9s s LEU 18 CO 0.15 -0.38 0.90 0.00 -1.32 0.00 0.00 176.35 175.69 2i9s s MET 19 N 1.72 4.00 -0.69 1.98 0.23 -1.26 -0.14 119.30 125.13 2i9s s MET 19 Ca 0.06 0.78 -0.23 0.00 -1.03 0.00 0.00 55.69 55.27 2i9s s MET 19 Cb -0.17 -3.73 0.07 0.00 -1.53 0.00 0.00 34.83 29.46 2i9s s MET 19 CO -0.21 -0.76 1.03 -1.64 -2.03 0.00 0.00 175.02 171.41 2i9s s MET 20 N 3.21 3.16 -0.53 3.16 1.00 -0.46 -4.46 119.30 124.38 2i9s s MET 20 Ca 0.37 -0.79 -0.22 0.00 0.00 0.00 0.00 55.69 55.05 2i9s s MET 20 Cb -0.13 -4.28 0.05 0.00 0.00 0.00 0.00 34.83 30.46 2i9s s MET 20 CO 0.13 -1.88 0.83 0.12 0.00 0.00 0.00 175.02 174.22 2i9s s PHE 21 N 4.28 2.89 -0.10 -0.03 2.19 -0.63 -1.60 117.98 124.99 2i9s s PHE 21 Ca 0.25 -0.17 0.02 0.00 0.33 0.00 0.00 56.93 57.36 2i9s s PHE 21 Cb -0.15 -3.86 0.02 0.00 -1.31 0.00 0.00 43.02 37.72 2i9s s PHE 21 CO 0.10 -1.22 -0.14 0.54 1.83 0.00 0.00 175.22 176.33 2i9s s VAL 22 N 3.47 1.39 0.05 3.12 0.11 -0.43 -1.29 120.40 126.82 2i9s s VAL 22 Ca 0.25 -0.58 -0.13 0.00 -2.93 0.00 0.00 61.98 58.59 2i9s s VAL 22 Cb -0.15 -1.28 -0.06 0.00 -1.53 0.00 0.00 36.38 33.37 2i9s s VAL 22 CO 0.17 0.42 0.44 -0.89 -3.33 0.00 0.00 175.10 171.91 2i9s s THR 23 N 0.98 5.01 -0.06 5.04 2.01 0.92 -1.10 115.64 128.43 2i9s s THR 23 Ca -0.07 0.74 0.01 0.00 0.31 0.00 0.00 61.69 62.68 2i9s s THR 23 Cb -0.15 -3.71 0.02 0.00 0.01 0.00 0.00 72.50 68.67 2i9s s THR 23 CO -0.01 0.44 -0.09 0.54 -0.69 0.00 0.00 174.62 174.81 2i9s s VAL 24 N -1.24 0.89 0.00 3.82 0.11 -0.84 -1.72 120.40 121.42 2i9s s VAL 24 Ca 0.29 -0.31 0.01 0.00 -2.93 0.00 0.00 61.98 59.04 2i9s s VAL 24 Cb -0.16 -0.85 0.02 0.00 -1.53 0.00 0.00 36.38 33.86 2i9s s VAL 24 CO 0.16 0.31 0.81 -0.24 -3.33 0.00 0.00 175.10 172.81 2i9s n SER 25 N 4.05 0.01 0.11 3.54 2.88 -1.26 -4.26 113.62 118.69 2i9s n SER 25 Ca -0.22 -1.60 -0.01 0.00 -1.33 0.00 0.00 58.87 55.71 2i9s n SER 25 Cb 0.51 -0.11 0.25 0.00 -0.75 0.00 0.00 64.21 64.12 2i9s n SER 25 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2i9s h GLY 26 N 0.05 0.20 -7.73 0.46 0.00 -1.96 -3.34 103.07 90.74 2i9s h GLY 26 Ca -0.03 -0.18 -0.67 0.00 0.00 0.00 0.00 47.33 46.45 2i9s h GLY 26 CO -0.01 0.17 -0.72 0.21 0.00 0.00 0.00 176.54 176.19 2i9s s ASN 27 N -6.89 4.74 0.00 0.19 3.84 -1.26 -4.99 114.94 110.57 2i9s s ASN 27 Ca -0.04 -1.78 0.00 0.00 0.21 0.00 0.00 52.86 51.25 2i9s s ASN 27 Cb 0.14 -1.64 0.00 0.00 -0.55 0.00 0.00 41.25 39.20 2i9s s ASN 27 CO 0.76 -0.32 1.13 -0.81 -2.79 0.00 0.00 177.10 175.07 2i9s n PRO 28 N 4.40 0.93 -0.21 0.43 -0.04 -1.25 -4.56 135.00 134.70 2i9s n PRO 28 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 2i9s n PRO 28 Cb 0.42 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 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 0.76 0.00 0.34 0.52 -2.24 -1.26 -4.85 114.28 107.55 2i9s n THR 29 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 2i9s n THR 29 Cb 0.46 0.00 0.37 0.00 -2.10 0.00 0.00 70.33 69.07 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 0.19 -0.78 4.57 -1.92 -3.31 114.58 113.33 2i9s h GLU 30 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2i9s h GLU 30 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2i9s h GLU 30 CO 0.00 0.00 -0.09 -0.22 -1.18 0.00 0.00 179.01 177.52 2i9s h LYS 31 N 0.00 -0.25 -0.17 1.92 3.11 -1.97 0.55 116.57 119.76 2i9s h LYS 31 Ca 0.00 0.02 -0.15 0.00 -2.81 0.00 0.00 60.65 57.70 2i9s h LYS 31 Cb 0.76 0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 32.04 2i9s h LYS 31 CO 0.00 0.01 -0.53 1.49 -2.81 0.00 0.00 179.45 177.60 2i9s h GLU 32 N -0.48 0.49 -0.15 1.90 4.57 -1.80 -1.10 114.58 118.00 2i9s h GLU 32 Ca -0.03 -0.30 0.04 0.00 -1.18 0.00 0.00 59.36 57.90 2i9s h GLU 32 Cb 0.37 0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 28.92 2i9s h GLU 32 CO 0.04 0.90 -0.44 1.15 -1.18 0.00 0.00 179.01 179.48 2i9s h THR 33 N 0.38 0.12 -0.62 0.32 2.02 -1.64 -0.79 112.91 112.70 2i9s h THR 33 Ca 0.01 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.10 2i9s h THR 33 Cb 1.06 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 2i9s h THR 33 CO 0.10 0.00 0.02 1.05 0.37 0.00 0.00 175.52 177.06 2i9s h GLU 34 N -0.49 1.07 0.13 6.66 4.11 0.39 0.45 114.58 126.89 2i9s h GLU 34 Ca 0.07 -0.33 0.01 0.00 0.07 0.00 0.00 59.36 59.18 2i9s h GLU 34 Cb 0.63 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 2i9s h GLU 34 CO -0.42 1.03 -0.37 1.49 0.07 0.00 0.00 179.01 180.81 2i9s h GLU 35 N 0.97 -0.54 -0.31 1.06 4.57 -0.96 -1.45 114.58 117.93 2i9s h GLU 35 Ca 0.18 0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.33 2i9s h GLU 35 Cb 0.53 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.24 2i9s h GLU 35 CO 0.03 -0.36 -0.06 0.82 -1.18 0.00 0.00 179.01 178.26 2i9s h ILE 36 N -0.56 1.28 0.26 2.32 2.04 -1.04 -1.02 117.51 120.78 2i9s h ILE 36 Ca -0.01 -1.08 -0.01 0.00 1.00 0.00 0.00 64.86 64.75 2i9s h ILE 36 Cb 0.55 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 2i9s h ILE 36 CO -0.18 0.35 -0.13 0.71 0.00 0.00 0.00 178.15 178.90 2i9s h THR 37 N 0.35 0.79 -0.11 -0.27 1.35 -0.03 0.12 112.91 115.12 2i9s h THR 37 Ca 0.08 -0.50 -0.05 0.00 -0.55 0.00 0.00 66.41 65.38 2i9s h THR 37 Cb 0.54 1.07 -0.00 0.00 -1.73 0.00 0.00 68.15 68.03 2i9s h THR 37 CO 0.03 0.11 -0.15 -1.28 -0.25 0.00 0.00 175.52 173.98 2i9s h SER 38 N -0.62 0.31 -0.18 5.36 0.87 -1.33 -0.32 113.55 117.65 2i9s h SER 38 Ca -0.04 -0.52 -0.13 0.00 -1.23 0.00 0.00 61.79 59.87 2i9s h SER 38 Cb 0.44 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2i9s h SER 38 CO 0.06 0.77 -0.41 0.25 -0.53 0.00 0.00 176.83 176.97 2i9s h LEU 39 N -0.14 0.68 0.28 2.23 5.85 -1.24 -0.77 115.31 122.20 2i9s h LEU 39 Ca 0.01 -0.56 -0.01 0.00 0.84 0.00 0.00 57.88 58.16 2i9s h LEU 39 Cb 0.70 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.54 2i9s h LEU 39 CO 0.03 1.12 -0.14 -0.50 -0.34 0.00 0.00 178.44 178.61 2i9s h TRP 40 N 0.27 -0.35 0.00 1.25 6.55 -0.82 -1.53 115.95 121.31 2i9s h TRP 40 Ca 0.00 -0.01 -0.02 0.00 0.95 0.00 0.00 58.89 59.81 2i9s h TRP 40 Cb 1.02 0.12 -0.00 0.00 -0.86 0.00 0.00 29.16 29.43 2i9s h TRP 40 CO 0.09 -0.22 -0.10 -0.56 -1.05 0.00 0.00 178.44 176.61 2i9s h GLN 41 N -0.93 0.00 0.08 0.49 -0.00 -1.10 1.05 115.11 114.70 2i9s h GLN 41 Ca -0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.61 2i9s h GLN 41 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.77 2i9s h GLN 41 CO 0.06 0.10 -0.04 0.78 -0.00 0.00 0.00 178.83 179.73 2i9s h GLY 42 N 0.60 -0.11 2.00 0.06 0.00 -1.19 -1.11 103.07 103.31 2i9s h GLY 42 Ca -0.00 0.04 -0.08 0.00 0.00 0.00 0.00 47.33 47.29 2i9s h GLY 42 CO 0.01 -0.04 -0.37 1.48 0.00 0.00 0.00 176.54 177.62 2i9s h SER 43 N -0.25 0.00 -0.21 0.19 4.64 0.24 0.11 113.55 118.26 2i9s h SER 43 Ca -0.01 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 2i9s h SER 43 Cb 0.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 2i9s h SER 43 CO 0.02 0.37 0.05 -0.07 -0.87 0.00 0.00 176.83 176.33 2i9s h LEU 44 N 0.00 0.39 0.04 5.97 3.38 0.12 0.13 115.31 125.35 2i9s h LEU 44 Ca -0.00 -0.05 -0.30 0.00 0.09 0.00 0.00 57.88 57.62 2i9s h LEU 44 Cb 0.99 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 2i9s h LEU 44 CO 0.05 0.42 -1.65 0.15 0.09 0.00 0.00 178.44 177.50 2i9s h PHE 45 N 0.43 0.17 -0.60 1.13 3.57 -0.92 -2.68 116.94 118.04 2i9s h PHE 45 Ca 0.10 -0.12 -0.03 0.00 3.53 0.00 0.00 57.97 61.45 2i9s h PHE 45 Cb 0.20 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 2i9s h PHE 45 CO 0.01 1.21 0.25 -0.97 -2.23 0.00 0.00 178.31 176.58 2i9s h ASN 46 N 0.03 0.78 -0.12 0.41 -1.24 -0.02 -0.23 115.58 115.19 2i9s h ASN 46 Ca -0.27 -0.09 0.00 0.00 0.71 0.00 0.00 56.30 56.65 2i9s h ASN 46 Cb 1.99 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 40.84 2i9s h ASN 46 CO 0.10 0.69 0.00 0.00 -1.29 0.00 0.00 177.43 176.93 2i9s n ALA 47 N -2.45 2.54 -3.69 1.57 0.00 0.38 -4.95 120.51 113.91 2i9s n ALA 47 Ca 0.05 -0.48 -0.23 0.00 0.00 0.00 0.00 53.44 52.79 2i9s n ALA 47 Cb 0.16 -1.12 0.03 0.00 0.00 0.00 0.00 19.45 18.51 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 0.21 -1.93 0.00 0.00 5.15 -0.10 -4.90 115.26 113.69 2i9s n ASN 48 Ca 0.17 -0.86 0.03 0.00 -0.60 0.00 0.00 54.58 53.33 2i9s n ASN 48 Cb 0.32 -3.94 0.17 0.00 -0.53 0.00 0.00 39.78 35.79 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 -4.21 0.00 -3.02 1.20 4.01 -1.01 -4.92 117.16 109.21 2i9s n TYR 49 Ca -0.26 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.45 2i9s n TYR 49 Cb 0.66 -0.35 0.01 0.00 -0.31 0.00 0.00 39.34 39.36 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 -1.35 -7.28 -3.54 7.72 2.03 -1.26 -4.91 116.55 107.96 2i9s n ASP 50 Ca 0.03 -0.19 -0.13 0.00 0.52 0.00 0.00 54.79 55.01 2i9s n ASP 50 Cb 0.06 -5.07 -0.05 0.00 -0.72 0.00 0.00 41.12 35.34 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 -3.08 0.00 -0.08 5.18 -7.23 -1.26 -4.04 120.40 109.89 2i9s s VAL 51 Ca 0.09 -1.60 0.01 0.00 -1.81 0.00 0.00 61.98 58.66 2i9s s VAL 51 Cb -0.01 -2.52 0.02 0.00 0.56 0.00 0.00 36.38 34.43 2i9s s VAL 51 CO 0.71 0.00 -0.08 -1.10 -0.31 0.00 0.00 175.10 174.32 2i9s s GLN 52 N -3.42 1.33 -0.02 4.82 -0.21 -0.55 -4.98 119.66 116.64 2i9s s GLN 52 Ca 0.30 -0.23 0.02 0.00 0.02 0.00 0.00 55.36 55.46 2i9s s GLN 52 Cb 0.00 -1.30 0.00 0.00 1.00 0.00 0.00 33.01 32.71 2i9s s GLN 52 CO 0.17 -0.14 -0.06 1.03 -2.12 0.00 0.00 175.29 174.17 2i9s s ARG 53 N 1.24 0.66 0.05 2.91 3.00 -1.26 0.84 118.95 126.39 2i9s s ARG 53 Ca -0.05 -0.20 0.03 0.00 0.00 0.00 0.00 55.73 55.51 2i9s s ARG 53 Cb -0.14 -0.65 -0.03 0.00 0.00 0.00 0.00 34.95 34.14 2i9s s ARG 53 CO -0.02 0.08 -0.09 0.12 0.00 0.00 0.00 175.30 175.38 2i9s s PHE 54 N 0.19 0.78 -0.71 -0.53 5.36 -0.72 -4.92 117.98 117.42 2i9s s PHE 54 Ca -0.02 -0.51 -0.19 0.00 -0.96 0.00 0.00 56.93 55.25 2i9s s PHE 54 Cb -0.07 -0.46 0.12 0.00 -0.34 0.00 0.00 43.02 42.28 2i9s s PHE 54 CO -0.00 -0.06 0.85 0.42 -1.46 0.00 0.00 175.22 174.97 2i9s s ILE 55 N -1.47 4.83 0.09 3.12 1.01 -1.26 -0.84 121.20 126.67 2i9s s ILE 55 Ca -0.08 -1.23 -0.02 0.00 0.00 0.00 0.00 60.65 59.32 2i9s s ILE 55 Cb -0.09 -4.58 -0.27 0.00 0.01 0.00 0.00 42.46 37.52 2i9s s ILE 55 CO 0.01 -1.25 1.17 0.58 0.00 0.00 0.00 174.94 175.44 2i9s h VAL 56 N 5.76 1.55 0.00 2.92 2.07 -1.81 -3.49 116.25 123.25 2i9s h VAL 56 Ca -0.14 -3.15 0.00 0.00 0.82 0.00 0.00 66.70 64.24 2i9s h VAL 56 Cb 1.06 2.93 0.00 0.00 -1.52 0.00 0.00 31.29 33.76 2i9s h VAL 56 CO 1.07 0.91 0.00 0.61 0.02 0.00 0.00 177.57 180.18 2i9s n GLY 57 N 1.49 -2.29 3.67 2.17 0.00 -0.48 -4.96 105.19 104.78 2i9s n GLY 57 Ca -0.07 -1.22 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.45 6.44 0.00 1.61 0.01 -1.26 -0.45 113.70 119.60 2i9s s SER 58 Ca 0.00 2.69 0.00 0.00 1.31 0.00 0.00 55.95 59.95 2i9s s SER 58 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 2i9s s SER 58 CO 0.00 -1.05 0.00 -0.67 0.41 0.00 0.00 173.24 171.93 2i9s n ASP 59 N 7.19 -2.69 -3.72 2.44 -0.08 -1.24 -4.86 116.55 113.58 2i9s n ASP 59 Ca 0.19 0.00 -0.22 0.00 -1.51 0.00 0.00 54.79 53.25 2i9s n ASP 59 Cb 0.40 -0.54 -0.18 0.00 2.34 0.00 0.00 41.12 43.15 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 -0.07 0.30 0.11 -0.67 6.06 0.40 -1.99 118.95 123.10 2i9s s ARG 60 Ca 0.00 0.18 0.01 0.00 -2.50 0.00 0.00 55.73 53.42 2i9s s ARG 60 Cb 0.00 -0.89 -0.04 0.00 0.06 0.00 0.00 34.95 34.08 2i9s s ARG 60 CO 0.00 -0.35 -0.02 0.00 -2.50 0.00 0.00 175.30 172.43 2i9s s ALA 61 N 2.06 0.97 0.05 6.12 0.00 -0.26 -1.39 121.76 129.31 2i9s s ALA 61 Ca 0.05 -1.41 -0.04 0.00 0.00 0.00 0.00 51.96 50.56 2i9s s ALA 61 Cb -0.13 0.41 -0.02 0.00 0.00 0.00 0.00 23.12 23.38 2i9s s ALA 61 CO -0.05 -0.33 0.05 0.96 0.00 0.00 0.00 175.76 176.40 2i9s s ILE 62 N -3.76 0.16 -0.29 0.00 -4.36 -0.02 -1.31 121.20 111.62 2i9s s ILE 62 Ca 0.16 -1.36 -0.01 0.00 -0.26 0.00 0.00 60.65 59.18 2i9s s ILE 62 Cb 0.06 -1.14 0.09 0.00 1.25 0.00 0.00 42.46 42.73 2i9s s ILE 62 CO -0.02 -0.75 0.09 0.72 0.24 0.00 0.00 174.94 175.22 2i9s s PHE 63 N -3.19 1.49 -0.37 1.37 -0.71 -0.63 -1.76 117.98 114.18 2i9s s PHE 63 Ca 0.00 -1.54 -0.23 0.00 -1.04 0.00 0.00 56.93 54.11 2i9s s PHE 63 Cb 0.02 -1.54 0.01 0.00 -1.21 0.00 0.00 43.02 40.30 2i9s s PHE 63 CO -0.07 -0.84 0.80 1.41 -1.34 0.00 0.00 175.22 175.17 2i9s s MET 64 N 1.69 3.72 0.38 1.99 1.75 0.25 -1.36 119.30 127.73 2i9s s MET 64 Ca 0.08 0.29 -0.22 0.00 -1.25 0.00 0.00 55.69 54.59 2i9s s MET 64 Cb -0.17 -3.82 -0.10 0.00 2.84 0.00 0.00 34.83 33.57 2i9s s MET 64 CO -0.24 -0.89 0.92 -0.51 -0.65 0.00 0.00 175.02 173.65 2i9s s LEU 65 N 3.16 4.08 0.32 4.11 1.02 0.80 -1.48 118.68 130.69 2i9s s LEU 65 Ca 0.32 1.69 0.10 0.00 0.02 0.00 0.00 54.13 56.26 2i9s s LEU 65 Cb -0.13 -4.32 -0.05 0.00 0.02 0.00 0.00 46.19 41.70 2i9s s LEU 65 CO 0.18 -0.25 -0.07 -0.60 0.02 0.00 0.00 176.35 175.63 2i9s s ARG 66 N -2.81 1.95 0.00 1.70 3.52 -1.26 -1.53 118.95 120.52 2i9s s ARG 66 Ca 0.57 -1.76 0.00 0.00 -0.13 0.00 0.00 55.73 54.42 2i9s s ARG 66 Cb -0.12 -1.87 0.00 0.00 -1.56 0.00 0.00 34.95 31.40 2i9s s ARG 66 CO 0.17 0.21 0.00 -0.25 -0.81 0.00 0.00 175.30 174.62 2i9s n ASP 67 N -0.83 0.00 0.00 -2.12 8.00 -1.24 -4.42 116.55 115.94 2i9s n ASP 67 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.45 2i9s n ASP 67 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.72 2i9s n ASP 67 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2i9s n GLY 68 N 0.00 2.85 2.04 0.44 0.00 -0.57 -2.46 105.19 107.49 2i9s n GLY 68 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 0.36 4.68 -3.65 1.61 7.64 -1.16 -4.42 113.62 118.68 2i9s n SER 69 Ca 0.00 -3.36 -0.01 0.00 1.01 0.00 0.00 58.87 56.51 2i9s n SER 69 Cb 0.00 -0.84 -0.07 0.00 -1.01 0.00 0.00 64.21 62.29 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 -2.78 -0.07 0.00 1.43 -0.85 -1.26 -4.98 117.35 108.84 2i9s s TYR 70 Ca 0.48 0.16 0.00 0.00 -0.52 0.00 0.00 57.07 57.18 2i9s s TYR 70 Cb 0.39 0.36 0.00 0.00 0.38 0.00 0.00 41.96 43.09 2i9s s TYR 70 CO 0.06 -0.03 0.00 0.00 -1.52 0.00 0.00 175.55 174.06 2i9s n ALA 71 N 2.04 0.00 1.02 9.51 0.00 -1.26 -4.86 120.51 126.96 2i9s n ALA 71 Ca -0.12 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.46 2i9s n ALA 71 Cb 0.57 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.63 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 0.00 0.03 0.00 8.01 -1.26 -0.54 117.44 123.68 2i9s n TRP 72 Ca 0.00 0.00 -0.09 0.00 -1.31 0.00 0.00 57.50 56.10 2i9s n TRP 72 Cb 0.00 -0.48 0.05 0.00 -2.01 0.00 0.00 31.31 28.87 2i9s n TRP 72 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.69 177.61 2i9s h GLU 73 N 0.00 0.48 -0.79 -0.99 3.07 -1.99 -0.16 114.58 114.19 2i9s h GLU 73 Ca 0.00 -0.34 -0.03 0.00 -0.50 0.00 0.00 59.36 58.49 2i9s h GLU 73 Cb 0.49 0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.42 2i9s h GLU 73 CO 0.00 0.95 0.36 0.82 -1.40 0.00 0.00 179.01 179.75 2i9s h ILE 74 N 0.35 1.25 -0.66 3.13 2.04 -1.23 -1.84 117.51 120.56 2i9s h ILE 74 Ca -0.01 -0.73 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 2i9s h ILE 74 Cb 1.18 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 2i9s h ILE 74 CO 0.11 0.31 0.34 0.50 0.00 0.00 0.00 178.15 179.41 2i9s h LYS 75 N 1.14 0.92 -0.17 2.37 3.11 -0.66 -1.51 116.57 121.77 2i9s h LYS 75 Ca 0.27 -0.11 -0.00 0.00 -2.81 0.00 0.00 60.65 58.00 2i9s h LYS 75 Cb 0.14 -0.18 -0.01 0.00 -1.00 0.00 0.00 32.23 31.18 2i9s h LYS 75 CO -0.03 0.69 0.09 0.22 -2.81 0.00 0.00 179.45 177.61 2i9s h ASP 76 N 0.92 0.21 -0.56 4.20 3.58 -0.25 -1.60 116.42 122.93 2i9s h ASP 76 Ca 0.23 -0.10 0.04 0.00 0.42 0.00 0.00 57.03 57.63 2i9s h ASP 76 Cb 0.05 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.00 2i9s h ASP 76 CO -0.04 0.24 0.30 0.15 -2.88 0.00 0.00 179.24 177.02 2i9s h PHE 77 N 0.16 0.56 -0.12 0.28 3.57 -0.82 -0.72 116.94 119.84 2i9s h PHE 77 Ca 0.06 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 2i9s h PHE 77 Cb 0.08 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 2i9s h PHE 77 CO -0.04 0.28 0.07 1.37 -2.23 0.00 0.00 178.31 177.76 2i9s h LEU 78 N 0.58 0.14 0.00 0.59 8.10 -1.12 0.38 115.31 123.98 2i9s h LEU 78 Ca 0.24 -0.06 0.00 0.00 0.11 0.00 0.00 57.88 58.17 2i9s h LEU 78 Cb 0.12 -0.04 0.00 0.00 -0.44 0.00 0.00 40.66 40.30 2i9s h LEU 78 CO -0.15 0.16 0.00 1.33 -4.11 0.00 0.00 178.44 175.67 2i9s n VAL 79 N -4.98 0.33 1.07 0.15 0.24 -0.62 -0.05 118.33 114.48 2i9s n VAL 79 Ca -0.05 0.08 0.12 0.00 -2.04 0.00 0.00 64.34 62.45 2i9s n VAL 79 Cb 0.06 -0.70 0.10 0.00 -1.47 0.00 0.00 33.84 31.83 2i9s n VAL 79 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2i9s n SER 80 N -1.34 1.51 -0.09 -1.34 2.88 -0.31 -4.54 113.62 110.38 2i9s n SER 80 Ca 0.09 -1.19 -0.12 0.00 -1.33 0.00 0.00 58.87 56.32 2i9s n SER 80 Cb 0.20 0.44 -0.04 0.00 -0.75 0.00 0.00 64.21 64.06 2i9s n SER 80 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2i9s n GLN 81 N -0.50 0.52 0.00 -1.46 -0.06 0.12 -5.04 117.38 110.97 2i9s n GLN 81 Ca 0.09 0.21 0.00 0.00 -2.00 0.00 0.00 57.00 55.30 2i9s n GLN 81 Cb 0.41 -1.41 0.00 0.00 -4.06 0.00 0.00 30.24 25.18 2i9s n GLN 81 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 2i9s n ASP 82 N -4.38 0.00 -1.85 1.69 -0.08 -0.50 -5.09 116.55 106.34 2i9s n ASP 82 Ca -0.21 0.00 -0.00 0.00 -1.51 0.00 0.00 54.79 53.07 2i9s n ASP 82 Cb 0.57 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.03 2i9s n ASP 82 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2i9s n ARG 83 N -0.79 -1.01 -2.82 -0.67 0.00 -1.26 -4.39 116.66 105.72 2i9s n ARG 83 Ca 0.00 1.16 -0.11 0.00 -0.00 0.00 0.00 57.85 58.91 2i9s n ARG 83 Cb 0.00 -2.29 0.06 0.00 0.00 0.00 0.00 32.46 30.24 2i9s n ARG 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2i9s n ALA 85 N 0.09 3.00 -3.70 0.00 0.00 -1.24 -4.98 120.51 113.69 2i9s n ALA 85 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.31 2i9s n ALA 85 Cb 0.74 0.12 -0.17 0.00 0.00 0.00 0.00 19.45 20.14 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 -1.73 0.80 -0.27 0.00 2.12 -0.70 -4.99 118.70 113.93 2i9s s GLU 86 Ca 0.00 -0.04 0.01 0.00 0.36 0.00 0.00 54.97 55.30 2i9s s GLU 86 Cb 0.00 -0.94 0.05 0.00 0.26 0.00 0.00 34.13 33.50 2i9s s GLU 86 CO 0.00 -0.18 -0.08 0.08 -0.54 0.00 0.00 175.26 174.55 2i9s s VAL 87 N 1.37 2.52 -0.09 3.70 1.01 -1.26 -0.05 120.40 127.60 2i9s s VAL 87 Ca -0.04 -1.42 0.03 0.00 0.00 0.00 0.00 61.98 60.54 2i9s s VAL 87 Cb -0.13 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.84 2i9s s VAL 87 CO -0.03 0.02 -0.17 0.42 0.00 0.00 0.00 175.10 175.34 2i9s s THR 88 N 1.19 1.53 0.13 3.92 -4.23 -0.41 -5.04 115.64 112.74 2i9s s THR 88 Ca -0.06 -0.70 0.06 0.00 -1.18 0.00 0.00 61.69 59.81 2i9s s THR 88 Cb -0.19 -1.37 -0.04 0.00 1.34 0.00 0.00 72.50 72.25 2i9s s THR 88 CO -0.04 0.44 -0.13 -0.76 -0.54 0.00 0.00 174.62 173.59 2i9s s LEU 89 N 0.60 2.43 0.54 4.79 2.01 -1.26 -1.60 118.68 126.20 2i9s s LEU 89 Ca -0.15 -0.85 -0.12 0.00 0.01 0.00 0.00 54.13 53.02 2i9s s LEU 89 Cb -0.16 -0.51 -0.06 0.00 0.01 0.00 0.00 46.19 45.47 2i9s s LEU 89 CO 0.05 -0.18 0.96 -0.70 1.01 0.00 0.00 176.35 177.48 2i9s s GLU 90 N -2.89 3.73 0.00 1.70 2.12 -1.26 -4.90 118.70 117.19 2i9s s GLU 90 Ca 0.11 0.73 0.00 0.00 0.36 0.00 0.00 54.97 56.16 2i9s s GLU 90 Cb -0.03 -2.17 0.00 0.00 0.26 0.00 0.00 34.13 32.19 2i9s s GLU 90 CO 0.03 -0.36 0.00 0.41 -0.54 0.00 0.00 175.26 174.79 2i9s n GLY 91 N -2.12 2.34 3.76 -1.50 0.00 -1.26 -4.92 105.19 101.48 2i9s n GLY 91 Ca 0.05 -1.92 -0.37 0.00 0.00 0.00 0.00 46.02 43.78 2i9s n GLY 91 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2i9s s GLN 92 N -1.66 4.15 -1.16 1.61 -2.07 -1.26 -4.22 119.66 115.05 2i9s s GLN 92 Ca 0.00 0.20 -0.09 0.00 -1.82 0.00 0.00 55.36 53.65 2i9s s GLN 92 Cb 0.00 -3.37 -0.02 0.00 -1.09 0.00 0.00 33.01 28.52 2i9s s GLN 92 CO 0.00 0.35 0.81 -0.12 -1.32 0.00 0.00 175.29 175.01 2i9s n MET 93 N 3.15 -2.81 -0.07 9.60 0.00 -1.26 -4.97 117.12 120.77 2i9s n MET 93 Ca -0.12 0.64 -0.15 0.00 0.00 0.00 0.00 57.70 58.07 2i9s n MET 93 Cb 0.52 -5.02 -0.13 0.00 0.00 0.00 0.00 33.22 28.59 2i9s n MET 93 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 175.97 175.05 2i9s h TYR 94 N -1.64 0.03 -3.93 1.12 3.20 -1.91 -3.47 116.97 110.37 2i9s h TYR 94 Ca -0.63 -0.02 -0.54 0.00 3.14 0.00 0.00 58.73 60.68 2i9s h TYR 94 Cb 1.34 -0.00 0.11 0.00 1.54 0.00 0.00 36.73 39.72 2i9s h TYR 94 CO 0.37 1.06 0.77 -0.35 -1.64 0.00 0.00 178.16 178.37 2i9s n PRO 95 N -4.56 2.66 0.00 1.82 -0.04 -1.26 -4.42 135.00 129.19 2i9s n PRO 95 Ca -0.12 0.93 0.00 0.00 -0.04 0.00 0.00 63.50 64.27 2i9s n PRO 95 Cb 0.52 -2.67 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 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 0.45 0.10 0.00 0.55 0.00 -1.26 -5.22 105.19 99.82 2i9s n GLY 96 Ca 0.01 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2i9s n GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49