#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 -0.97 1.61 0.11 -2.06 -3.07 132.00 127.62 2i9s h PRO 2 Ca 0.00 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.75 2i9s h PRO 2 Cb 0.00 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 30.90 2i9s h PRO 2 CO 0.00 0.31 0.45 0.41 -0.21 0.00 0.00 178.00 178.96 2i9s n GLY 3 N 0.06 3.77 3.75 -0.55 0.00 -1.26 -4.86 105.19 106.11 2i9s n GLY 3 Ca -0.00 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 2i9s n GLY 3 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2i9s s LYS 4 N -2.48 4.30 0.62 1.61 -2.85 -1.16 -4.97 119.74 114.82 2i9s s LYS 4 Ca 0.43 2.26 -0.18 0.00 -1.00 0.00 0.00 55.97 57.47 2i9s s LYS 4 Cb 0.36 -3.10 -0.02 0.00 -2.06 0.00 0.00 37.83 33.01 2i9s s LYS 4 CO 0.09 -0.32 1.26 -2.14 0.10 0.00 0.00 175.35 174.33 2i9s s PRO 5 N -0.94 2.73 0.00 1.78 0.02 -1.26 -3.67 135.00 133.66 2i9s s PRO 5 Ca 0.55 1.96 0.00 0.00 0.02 0.00 0.00 61.00 63.53 2i9s s PRO 5 Cb -0.41 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.23 2i9s s PRO 5 CO 0.47 -1.43 0.00 0.39 -0.33 0.00 0.00 177.00 176.10 2i9s n GLU 6 N -1.77 0.00 -0.10 5.54 1.02 -1.26 -4.67 120.64 119.40 2i9s n GLU 6 Ca 0.15 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.27 2i9s n GLU 6 Cb 0.49 -0.18 0.21 0.00 -0.02 0.00 0.00 31.44 31.94 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 0.70 -0.26 1.62 0.02 -1.98 -1.32 113.55 112.34 2i9s h SER 7 Ca 0.00 -0.13 -0.16 0.00 -0.84 0.00 0.00 61.79 60.66 2i9s h SER 7 Cb 0.00 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 2i9s h SER 7 CO 0.00 0.72 -0.43 0.16 -1.14 0.00 0.00 176.83 176.14 2i9s h ILE 8 N 0.72 1.28 0.00 3.27 3.07 -1.83 0.17 117.51 124.19 2i9s h ILE 8 Ca 0.16 -1.61 -0.19 0.00 1.55 0.00 0.00 64.86 64.77 2i9s h ILE 8 Cb 0.32 1.48 -0.03 0.00 -0.27 0.00 0.00 36.82 38.33 2i9s h ILE 8 CO 0.00 0.53 -0.89 0.17 -1.05 0.00 0.00 178.15 176.91 2i9s h LEU 9 N 0.66 0.00 -0.75 0.16 -0.00 -1.88 -1.55 115.31 111.95 2i9s h LEU 9 Ca 0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.91 2i9s h LEU 9 Cb 1.00 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.66 2i9s h LEU 9 CO 0.10 0.89 -0.09 0.07 -0.00 0.00 0.00 178.44 179.41 2i9s h LYS 10 N 0.00 0.00 0.04 0.17 5.09 -1.11 0.15 116.57 120.90 2i9s h LYS 10 Ca -0.01 0.00 -0.17 0.00 0.09 0.00 0.00 60.65 60.57 2i9s h LYS 10 Cb 1.65 0.00 0.02 0.00 0.10 0.00 0.00 32.23 33.99 2i9s h LYS 10 CO 0.12 0.09 -0.67 1.98 -2.09 0.00 0.00 179.45 178.88 2i9s h MET 11 N 0.00 0.39 0.00 0.07 4.05 -0.71 -3.36 114.93 115.36 2i9s h MET 11 Ca -0.00 -0.47 0.00 0.00 -0.28 0.00 0.00 59.70 58.95 2i9s h MET 11 Cb 0.81 0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.75 2i9s h MET 11 CO 0.01 1.15 -0.92 2.41 0.23 0.00 0.00 176.91 179.79 2i9s n THR 12 N -4.19 0.01 -3.08 -0.77 -1.04 -0.60 -5.07 114.28 99.53 2i9s n THR 12 Ca -0.11 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 2i9s n THR 12 Cb 0.72 0.79 0.00 0.00 -1.82 0.00 0.00 70.33 70.02 2i9s n THR 12 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 2i9s n LYS 13 N -1.53 0.00 0.03 -2.82 2.85 0.50 -2.95 118.16 114.24 2i9s n LYS 13 Ca 0.04 0.00 0.07 0.00 -1.05 0.00 0.00 58.31 57.37 2i9s n LYS 13 Cb 0.34 0.00 0.30 0.00 -0.65 0.00 0.00 35.03 35.02 2i9s n LYS 13 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2i9s n LYS 14 N 0.00 0.04 -0.66 -1.58 4.81 -1.26 -3.45 118.16 116.06 2i9s n LYS 14 Ca 0.00 0.35 -0.06 0.00 -0.87 0.00 0.00 58.31 57.72 2i9s n LYS 14 Cb 0.00 -1.59 0.01 0.00 0.02 0.00 0.00 35.03 33.47 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 -0.34 3.08 3.13 3.14 0.00 -1.15 -2.58 105.19 110.45 2i9s n GLY 15 Ca 0.02 -0.43 -0.21 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.60 0.98 -0.18 1.61 2.47 -1.22 -5.01 119.74 117.79 2i9s s LYS 16 Ca 0.13 -0.66 -0.00 0.00 -1.56 0.00 0.00 55.97 53.88 2i9s s LYS 16 Cb 0.10 -0.98 0.01 0.00 -1.46 0.00 0.00 37.83 35.50 2i9s s LYS 16 CO -0.00 0.25 -0.15 0.95 0.16 0.00 0.00 175.35 176.55 2i9s s THR 17 N -0.67 2.50 -0.21 3.43 -4.23 -1.26 -2.66 115.64 112.53 2i9s s THR 17 Ca 0.03 -0.80 -0.03 0.00 -1.18 0.00 0.00 61.69 59.71 2i9s s THR 17 Cb -0.07 -2.07 0.07 0.00 1.34 0.00 0.00 72.50 71.77 2i9s s THR 17 CO 0.01 0.51 0.05 -0.22 -0.54 0.00 0.00 174.62 174.42 2i9s s LEU 18 N 1.20 1.27 -0.68 4.79 1.98 -0.58 -4.84 118.68 121.84 2i9s s LEU 18 Ca 0.02 -0.95 -0.25 0.00 -2.89 0.00 0.00 54.13 50.06 2i9s s LEU 18 Cb -0.14 -0.61 0.05 0.00 0.66 0.00 0.00 46.19 46.15 2i9s s LEU 18 CO -0.07 -0.33 1.11 0.00 -1.89 0.00 0.00 176.35 175.16 2i9s s MET 19 N 1.84 3.19 0.06 1.98 0.00 -1.26 0.34 119.30 125.45 2i9s s MET 19 Ca 0.01 -0.47 -0.20 0.00 0.00 0.00 0.00 55.69 55.03 2i9s s MET 19 Cb -0.17 -4.18 -0.06 0.00 0.00 0.00 0.00 34.83 30.42 2i9s s MET 19 CO -0.12 -1.91 0.59 0.00 0.00 0.00 0.00 175.02 173.58 2i9s s MET 20 N 4.80 4.26 -0.30 3.16 0.00 -0.58 -4.38 119.30 126.25 2i9s s MET 20 Ca 0.29 0.77 -0.06 0.00 0.00 0.00 0.00 55.69 56.69 2i9s s MET 20 Cb -0.12 -3.27 0.02 0.00 0.00 0.00 0.00 34.83 31.46 2i9s s MET 20 CO 0.14 0.57 0.07 0.12 0.00 0.00 0.00 175.02 175.91 2i9s s PHE 21 N -0.87 3.17 -0.16 3.16 2.19 -0.63 -1.61 117.98 123.22 2i9s s PHE 21 Ca 0.30 -1.18 0.01 0.00 0.33 0.00 0.00 56.93 56.39 2i9s s PHE 21 Cb -0.19 -2.24 0.00 0.00 -1.31 0.00 0.00 43.02 39.28 2i9s s PHE 21 CO 0.19 -0.64 -0.17 0.54 1.83 0.00 0.00 175.22 176.98 2i9s s VAL 22 N 1.45 2.48 -0.14 3.12 0.11 -0.13 -1.43 120.40 125.86 2i9s s VAL 22 Ca 0.01 -0.82 -0.11 0.00 -2.93 0.00 0.00 61.98 58.13 2i9s s VAL 22 Cb -0.18 -2.04 -0.05 0.00 -1.53 0.00 0.00 36.38 32.58 2i9s s VAL 22 CO 0.02 0.52 0.21 -0.89 -3.33 0.00 0.00 175.10 171.63 2i9s s THR 23 N 0.96 5.37 -0.30 5.04 2.01 0.17 -0.11 115.64 128.77 2i9s s THR 23 Ca -0.03 0.37 -0.01 0.00 0.31 0.00 0.00 61.69 62.34 2i9s s THR 23 Cb -0.15 -3.53 0.09 0.00 0.01 0.00 0.00 72.50 68.93 2i9s s THR 23 CO -0.03 0.49 0.08 -0.69 -0.69 0.00 0.00 174.62 173.78 2i9s s VAL 24 N -0.16 0.98 -0.12 3.82 1.01 0.76 -1.41 120.40 125.27 2i9s s VAL 24 Ca 0.14 -1.38 0.01 0.00 0.00 0.00 0.00 61.98 60.75 2i9s s VAL 24 Cb -0.12 -1.69 0.03 0.00 0.00 0.00 0.00 36.38 34.59 2i9s s VAL 24 CO 0.03 -0.60 0.89 -0.24 0.00 0.00 0.00 175.10 175.18 2i9s n SER 25 N 4.81 1.81 -0.22 3.32 2.88 -1.26 -4.21 113.62 120.76 2i9s n SER 25 Ca -0.03 -1.72 0.02 0.00 -1.33 0.00 0.00 58.87 55.81 2i9s n SER 25 Cb 0.43 -0.02 0.13 0.00 -0.75 0.00 0.00 64.21 64.00 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 0.24 0.87 -7.64 0.46 0.00 -1.94 -3.16 103.07 91.90 2i9s h GLY 26 Ca 0.00 -0.05 -0.68 0.00 0.00 0.00 0.00 47.33 46.60 2i9s h GLY 26 CO 0.00 -0.12 -0.65 0.21 0.00 0.00 0.00 176.54 175.99 2i9s s ASN 27 N -5.30 5.00 -0.04 0.19 3.84 -1.26 -4.99 114.94 112.38 2i9s s ASN 27 Ca -0.13 -1.75 0.01 0.00 0.21 0.00 0.00 52.86 51.21 2i9s s ASN 27 Cb 0.19 -1.74 0.08 0.00 -0.55 0.00 0.00 41.25 39.23 2i9s s ASN 27 CO 0.75 -0.40 0.85 -0.81 -2.79 0.00 0.00 177.10 174.70 2i9s n PRO 28 N 4.54 1.30 -0.50 0.43 -0.05 -1.20 -4.36 135.00 135.16 2i9s n PRO 28 Ca -0.06 -0.35 0.00 0.00 -0.05 0.00 0.00 63.50 63.05 2i9s n PRO 28 Cb 0.42 -1.38 0.00 0.00 -0.05 0.00 0.00 33.50 32.49 2i9s n PRO 28 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 175.50 175.70 2i9s n THR 29 N 0.18 0.00 0.13 0.52 -2.24 -1.26 -4.41 114.28 107.21 2i9s n THR 29 Ca 0.05 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.82 2i9s n THR 29 Cb 0.48 0.00 0.15 0.00 -2.10 0.00 0.00 70.33 68.86 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 -0.21 -0.78 4.81 -1.87 -3.25 114.58 113.28 2i9s h GLU 30 Ca 0.00 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2i9s h GLU 30 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2i9s h GLU 30 CO 0.00 0.63 0.12 -0.22 -0.73 0.00 0.00 179.01 178.81 2i9s h LYS 31 N 0.00 0.25 -0.05 1.92 3.11 -1.97 0.73 116.57 120.56 2i9s h LYS 31 Ca -0.01 -0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.81 2i9s h LYS 31 Cb 1.16 -0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 32.33 2i9s h LYS 31 CO 0.08 0.16 0.02 1.49 -2.81 0.00 0.00 179.45 178.39 2i9s h GLU 32 N 0.26 0.08 -0.64 1.90 4.57 -1.76 -0.49 114.58 118.50 2i9s h GLU 32 Ca 0.08 -0.02 0.12 0.00 -1.18 0.00 0.00 59.36 58.36 2i9s h GLU 32 Cb -0.01 -0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 28.49 2i9s h GLU 32 CO -0.04 0.25 0.18 1.15 -1.18 0.00 0.00 179.01 179.38 2i9s h THR 33 N -0.12 0.67 0.00 0.32 2.02 -1.50 0.11 112.91 114.41 2i9s h THR 33 Ca 0.02 -0.11 -0.18 0.00 0.77 0.00 0.00 66.41 66.90 2i9s h THR 33 Cb 0.21 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 2i9s h THR 33 CO -0.00 0.06 -0.83 1.05 0.37 0.00 0.00 175.52 176.17 2i9s h GLU 34 N 0.33 0.09 -0.01 6.66 4.11 0.82 0.60 114.58 127.18 2i9s h GLU 34 Ca 0.34 -0.10 -0.07 0.00 0.07 0.00 0.00 59.36 59.59 2i9s h GLU 34 Cb 0.49 0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.77 2i9s h GLU 34 CO -0.39 0.87 -0.27 1.49 0.07 0.00 0.00 179.01 180.79 2i9s h GLU 35 N 0.05 0.19 0.50 1.06 4.57 -0.46 -1.59 114.58 118.90 2i9s h GLU 35 Ca -0.02 -0.20 -0.01 0.00 -1.18 0.00 0.00 59.36 57.94 2i9s h GLU 35 Cb 1.45 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 30.09 2i9s h GLU 35 CO 0.12 0.92 -0.38 -0.84 -1.18 0.00 0.00 179.01 177.65 2i9s h ILE 36 N -0.46 0.23 -0.07 2.32 -0.00 -0.77 -1.94 117.51 116.83 2i9s h ILE 36 Ca -0.03 0.00 -0.09 0.00 -0.00 0.00 0.00 64.86 64.74 2i9s h ILE 36 Cb 1.01 0.23 -0.01 0.00 -0.00 0.00 0.00 36.82 38.05 2i9s h ILE 36 CO 0.05 0.00 -0.36 0.71 -0.00 0.00 0.00 178.15 178.55 2i9s h THR 37 N -0.86 1.28 -0.24 0.16 1.35 0.22 0.55 112.91 115.36 2i9s h THR 37 Ca -0.05 -1.34 -0.03 0.00 -0.55 0.00 0.00 66.41 64.44 2i9s h THR 37 Cb 0.73 1.63 -0.01 0.00 -1.73 0.00 0.00 68.15 68.77 2i9s h THR 37 CO 0.01 0.40 0.05 -1.28 -0.25 0.00 0.00 175.52 174.45 2i9s h SER 38 N 0.13 0.38 -0.19 5.36 0.87 -1.27 0.18 113.55 119.00 2i9s h SER 38 Ca 0.01 -0.24 -0.05 0.00 -1.23 0.00 0.00 61.79 60.28 2i9s h SER 38 Cb 0.70 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.56 2i9s h SER 38 CO 0.05 0.52 -0.06 -0.07 -0.53 0.00 0.00 176.83 176.74 2i9s h LEU 39 N 0.21 0.39 0.17 2.23 3.38 -0.51 -1.06 115.31 120.12 2i9s h LEU 39 Ca 0.08 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 2i9s h LEU 39 Cb 0.30 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2i9s h LEU 39 CO 0.00 0.68 -0.11 -0.50 0.09 0.00 0.00 178.44 178.60 2i9s h TRP 40 N 0.09 -0.31 0.00 1.13 4.06 0.17 -0.26 115.95 120.83 2i9s h TRP 40 Ca 0.05 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.99 2i9s h TRP 40 Cb 0.52 0.11 0.00 0.00 -1.00 0.00 0.00 29.16 28.79 2i9s h TRP 40 CO 0.06 -0.17 0.00 -0.56 -3.56 0.00 0.00 178.44 174.21 2i9s h GLN 41 N -0.27 0.00 0.27 0.49 -0.00 -0.78 0.12 115.11 114.94 2i9s h GLN 41 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.63 2i9s h GLN 41 Cb 0.22 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 27.66 2i9s h GLN 41 CO 0.02 0.00 -0.50 0.78 -0.00 0.00 0.00 178.83 179.13 2i9s h GLY 42 N 4.02 -1.14 1.45 0.06 0.00 -1.03 -1.23 103.07 105.19 2i9s h GLY 42 Ca 0.00 0.60 -0.22 0.00 0.00 0.00 0.00 47.33 47.71 2i9s h GLY 42 CO 0.00 -0.31 -0.87 1.76 0.00 0.00 0.00 176.54 177.12 2i9s h SER 43 N -0.84 0.64 -0.30 0.19 0.02 -0.92 0.14 113.55 112.49 2i9s h SER 43 Ca -0.02 -0.47 -0.01 0.00 -0.84 0.00 0.00 61.79 60.45 2i9s h SER 43 Cb 0.79 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 2i9s h SER 43 CO -0.19 1.25 0.16 -0.07 -1.14 0.00 0.00 176.83 176.84 2i9s h LEU 44 N 0.32 0.41 0.04 5.07 3.38 -0.88 0.35 115.31 123.99 2i9s h LEU 44 Ca -0.07 -0.03 -0.29 0.00 0.09 0.00 0.00 57.88 57.59 2i9s h LEU 44 Cb 1.49 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 42.10 2i9s h LEU 44 CO 0.16 0.35 -1.57 -0.26 0.09 0.00 0.00 178.44 177.21 2i9s h PHE 45 N 0.46 0.14 0.00 1.13 -1.00 -1.15 -3.09 116.94 113.43 2i9s h PHE 45 Ca 0.12 -0.10 -0.11 0.00 2.81 0.00 0.00 57.97 60.69 2i9s h PHE 45 Cb 0.05 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 39.59 2i9s h PHE 45 CO 0.00 1.16 -0.51 -0.97 -1.61 0.00 0.00 178.31 176.38 2i9s h ASN 46 N 0.02 0.00 -0.13 2.17 -1.24 -0.43 -1.99 115.58 113.98 2i9s h ASN 46 Ca -0.24 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.77 2i9s h ASN 46 Cb 1.97 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.02 2i9s h ASN 46 CO 0.11 0.51 0.00 0.00 -1.29 0.00 0.00 177.43 176.75 2i9s n ALA 47 N -2.44 2.50 -2.84 1.57 0.00 0.07 -4.92 120.51 114.45 2i9s n ALA 47 Ca -0.01 -0.27 -0.10 0.00 0.00 0.00 0.00 53.44 53.05 2i9s n ALA 47 Cb 0.52 -1.05 0.05 0.00 0.00 0.00 0.00 19.45 18.98 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 -2.67 -4.93 0.00 5.15 -0.75 -5.06 115.26 106.88 2i9s n ASN 48 Ca 0.08 -0.40 -0.27 0.00 -0.60 0.00 0.00 54.58 53.39 2i9s n ASN 48 Cb 0.14 -3.43 -0.03 0.00 -0.53 0.00 0.00 39.78 35.92 2i9s n ASN 48 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 2i9s s TYR 49 N -3.23 3.45 -1.08 1.20 2.02 -1.17 -5.03 117.35 113.51 2i9s s TYR 49 Ca 0.06 0.12 -0.14 0.00 -0.37 0.00 0.00 57.07 56.74 2i9s s TYR 49 Cb -0.01 -1.66 0.19 0.00 -0.40 0.00 0.00 41.96 40.08 2i9s s TYR 49 CO 0.46 0.52 1.23 0.34 -1.57 0.00 0.00 175.55 176.54 2i9s s ASP 50 N -3.13 6.98 0.36 2.29 2.15 -1.26 -4.78 116.67 119.28 2i9s s ASP 50 Ca 0.34 -2.84 0.03 0.00 0.43 0.00 0.00 52.55 50.52 2i9s s ASP 50 Cb -0.11 -2.35 -0.04 0.00 -0.30 0.00 0.00 42.92 40.12 2i9s s ASP 50 CO 0.28 -0.72 0.10 0.68 -0.17 0.00 0.00 175.17 175.34 2i9s s VAL 51 N 1.19 0.80 -0.00 1.11 -7.23 -1.26 -4.03 120.40 110.98 2i9s s VAL 51 Ca 0.36 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.55 2i9s s VAL 51 Cb -0.05 -2.53 -0.01 0.00 0.56 0.00 0.00 36.38 34.35 2i9s s VAL 51 CO -0.05 0.00 -0.08 -1.10 -0.31 0.00 0.00 175.10 173.57 2i9s s GLN 52 N -3.81 0.61 -0.04 4.82 1.11 -0.79 -5.00 119.66 116.56 2i9s s GLN 52 Ca 0.30 -0.28 -0.04 0.00 0.01 0.00 0.00 55.36 55.35 2i9s s GLN 52 Cb 0.05 -0.59 0.01 0.00 -1.01 0.00 0.00 33.01 31.48 2i9s s GLN 52 CO 0.15 0.16 0.11 1.03 0.01 0.00 0.00 175.29 176.74 2i9s s ARG 53 N -0.21 0.12 0.07 2.91 0.52 -1.26 0.11 118.95 121.22 2i9s s ARG 53 Ca 0.03 0.15 0.04 0.00 -0.52 0.00 0.00 55.73 55.43 2i9s s ARG 53 Cb -0.03 0.05 -0.03 0.00 0.52 0.00 0.00 34.95 35.46 2i9s s ARG 53 CO -0.00 -0.02 -0.12 -0.06 0.02 0.00 0.00 175.30 175.12 2i9s s PHE 54 N 0.10 1.07 -0.65 -0.53 0.40 -0.82 -4.94 117.98 112.61 2i9s s PHE 54 Ca -0.00 -0.52 -0.16 0.00 -0.60 0.00 0.00 56.93 55.65 2i9s s PHE 54 Cb -0.01 -0.60 0.16 0.00 0.51 0.00 0.00 43.02 43.08 2i9s s PHE 54 CO -0.00 0.02 0.63 0.42 0.70 0.00 0.00 175.22 176.98 2i9s s ILE 55 N -1.59 5.29 -0.10 0.64 1.01 -1.26 -0.65 121.20 124.54 2i9s s ILE 55 Ca -0.02 -1.78 0.20 0.00 0.00 0.00 0.00 60.65 59.06 2i9s s ILE 55 Cb -0.08 -4.41 -0.27 0.00 0.01 0.00 0.00 42.46 37.71 2i9s s ILE 55 CO 0.01 -0.97 0.46 1.33 0.00 0.00 0.00 174.94 175.78 2i9s n VAL 56 N 4.86 0.53 -3.54 2.92 0.24 -1.14 -5.01 118.33 117.19 2i9s n VAL 56 Ca -0.03 -0.62 -0.08 0.00 -2.04 0.00 0.00 64.34 61.58 2i9s n VAL 56 Cb 0.43 -0.22 -0.02 0.00 -1.47 0.00 0.00 33.84 32.56 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 -4.78 -0.43 -0.52 7.63 0.00 -0.39 -4.97 107.32 103.85 2i9s s GLY 57 Ca -0.07 0.86 -0.28 0.00 0.00 0.00 0.00 44.72 45.23 2i9s s GLY 57 CO 0.87 0.28 1.43 -0.56 0.00 0.00 0.00 173.10 175.12 2i9s s SER 58 N -2.56 6.16 0.00 1.64 0.01 -1.26 -1.13 113.70 116.56 2i9s s SER 58 Ca 0.06 0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.78 2i9s s SER 58 Cb -0.01 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2i9s s SER 58 CO -0.07 -1.65 0.00 -0.90 0.41 0.00 0.00 173.24 171.03 2i9s n ASP 59 N 9.46 -0.12 -3.83 2.44 5.75 -1.23 -4.33 116.55 124.69 2i9s n ASP 59 Ca 0.14 0.00 -0.23 0.00 -0.01 0.00 0.00 54.79 54.69 2i9s n ASP 59 Cb 0.49 -0.02 -0.17 0.00 -1.03 0.00 0.00 41.12 40.39 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 -0.92 0.84 0.28 0.11 3.00 -0.28 -0.17 118.95 121.80 2i9s s ARG 60 Ca 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 55.73 55.74 2i9s s ARG 60 Cb 0.00 -1.04 -0.06 0.00 0.00 0.00 0.00 34.95 33.86 2i9s s ARG 60 CO 0.00 -0.23 0.04 0.00 0.00 0.00 0.00 175.30 175.11 2i9s s ALA 61 N 1.59 2.06 0.03 2.13 0.00 0.84 -1.27 121.76 127.15 2i9s s ALA 61 Ca -0.00 -1.92 -0.02 0.00 0.00 0.00 0.00 51.96 50.02 2i9s s ALA 61 Cb -0.13 0.64 -0.02 0.00 0.00 0.00 0.00 23.12 23.61 2i9s s ALA 61 CO -0.04 -0.30 0.01 0.96 0.00 0.00 0.00 175.76 176.39 2i9s s ILE 62 N -3.40 0.14 -0.23 0.00 -4.36 0.17 -0.95 121.20 112.57 2i9s s ILE 62 Ca 0.34 -1.13 -0.01 0.00 -0.26 0.00 0.00 60.65 59.59 2i9s s ILE 62 Cb 0.07 -0.69 0.07 0.00 1.25 0.00 0.00 42.46 43.16 2i9s s ILE 62 CO 0.13 -0.62 -0.00 0.72 0.24 0.00 0.00 174.94 175.40 2i9s s PHE 63 N -2.24 1.86 -0.27 1.37 -0.71 -0.63 -1.94 117.98 115.42 2i9s s PHE 63 Ca -0.08 -1.46 -0.18 0.00 -1.04 0.00 0.00 56.93 54.16 2i9s s PHE 63 Cb -0.04 -1.43 -0.03 0.00 -1.21 0.00 0.00 43.02 40.31 2i9s s PHE 63 CO -0.04 -0.73 0.51 1.41 -1.34 0.00 0.00 175.22 175.04 2i9s s MET 64 N 1.57 4.05 -0.19 1.99 1.75 0.30 -1.53 119.30 127.24 2i9s s MET 64 Ca -0.02 0.30 -0.28 0.00 -1.25 0.00 0.00 55.69 54.44 2i9s s MET 64 Cb -0.18 -3.66 -0.00 0.00 2.84 0.00 0.00 34.83 33.83 2i9s s MET 64 CO -0.09 -0.37 0.96 -1.17 -0.65 0.00 0.00 175.02 173.70 2i9s s LEU 65 N 2.32 4.15 -0.20 4.11 0.20 0.15 -1.89 118.68 127.52 2i9s s LEU 65 Ca 0.21 1.32 -0.10 0.00 0.69 0.00 0.00 54.13 56.26 2i9s s LEU 65 Cb -0.16 -3.43 -0.09 0.00 -0.43 0.00 0.00 46.19 42.09 2i9s s LEU 65 CO 0.09 -0.54 -0.26 -1.14 -0.29 0.00 0.00 176.35 174.22 2i9s n ARG 66 N 5.73 0.43 -0.82 1.98 0.63 -1.26 -1.53 116.66 121.84 2i9s n ARG 66 Ca 0.09 0.19 -0.11 0.00 -0.92 0.00 0.00 57.85 57.09 2i9s n ARG 66 Cb 0.47 -1.23 -0.13 0.00 0.45 0.00 0.00 32.46 32.03 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 -3.87 4.41 0.00 6.15 2.03 -1.26 -4.62 116.55 119.39 2i9s n ASP 67 Ca -0.40 -2.29 0.00 0.00 0.52 0.00 0.00 54.79 52.62 2i9s n ASP 67 Cb 0.79 -1.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.04 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 2.70 0.00 2.70 0.27 0.00 -1.07 -4.34 105.19 105.45 2i9s n GLY 68 Ca 0.37 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.83 -0.04 1.61 7.64 -1.26 -4.47 113.62 115.26 2i9s n SER 69 Ca 0.00 -2.49 0.03 0.00 1.01 0.00 0.00 58.87 57.43 2i9s n SER 69 Cb 0.00 1.15 0.05 0.00 -1.01 0.00 0.00 64.21 64.39 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 -0.42 0.00 0.63 1.43 0.18 -1.26 -4.76 117.16 112.95 2i9s n TYR 70 Ca -0.06 -0.62 0.09 0.00 1.88 0.00 0.00 57.90 59.19 2i9s n TYR 70 Cb 0.80 -0.08 -0.12 0.00 -0.38 0.00 0.00 39.34 39.55 2i9s n TYR 70 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2i9s n ALA 71 N -0.77 3.96 0.03 -3.48 0.00 -1.26 -4.16 120.51 114.83 2i9s n ALA 71 Ca 0.06 -0.51 -0.09 0.00 0.00 0.00 0.00 53.44 52.89 2i9s n ALA 71 Cb 0.42 -0.68 -0.13 0.00 0.00 0.00 0.00 19.45 19.05 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 0.08 -0.02 0.00 4.06 -1.99 0.78 115.95 118.85 2i9s h TRP 72 Ca 0.00 -0.06 -0.20 0.00 2.06 0.00 0.00 58.89 60.70 2i9s h TRP 72 Cb 0.58 -0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.73 2i9s h TRP 72 CO 0.00 1.07 -0.83 1.49 -3.56 0.00 0.00 178.44 176.60 2i9s h GLU 73 N 0.01 0.28 -0.99 0.49 4.57 -1.94 -2.13 114.58 114.88 2i9s h GLU 73 Ca -0.16 -0.28 0.03 0.00 -1.18 0.00 0.00 59.36 57.77 2i9s h GLU 73 Cb 1.91 0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 30.52 2i9s h GLU 73 CO 0.11 0.97 0.65 0.82 -1.18 0.00 0.00 179.01 180.38 2i9s h ILE 74 N 0.17 1.19 0.13 2.32 2.04 -1.61 -1.52 117.51 120.23 2i9s h ILE 74 Ca -0.05 -0.43 0.01 0.00 1.00 0.00 0.00 64.86 65.39 2i9s h ILE 74 Cb 1.44 -0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 2i9s h ILE 74 CO 0.13 0.23 -0.19 0.50 0.00 0.00 0.00 178.15 178.83 2i9s h LYS 75 N 1.27 -0.36 -0.48 2.37 3.64 -0.47 -1.45 116.57 121.09 2i9s h LYS 75 Ca 0.38 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.86 2i9s h LYS 75 Cb -0.03 0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 31.81 2i9s h LYS 75 CO -0.11 -0.24 0.15 -0.44 -2.27 0.00 0.00 179.45 176.54 2i9s h ASP 76 N -0.38 0.13 0.34 4.20 3.32 -0.91 -2.00 116.42 121.14 2i9s h ASP 76 Ca 0.02 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 2i9s h ASP 76 Cb 0.38 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 2i9s h ASP 76 CO -0.08 0.10 -0.32 -0.26 -1.72 0.00 0.00 179.24 176.96 2i9s h PHE 77 N 0.32 -0.85 -0.21 4.55 0.04 -0.53 0.01 116.94 120.27 2i9s h PHE 77 Ca 0.23 0.00 0.02 0.00 2.80 0.00 0.00 57.97 61.02 2i9s h PHE 77 Cb 0.26 0.33 -0.02 0.00 2.20 0.00 0.00 35.95 38.71 2i9s h PHE 77 CO -0.17 -0.46 0.08 -0.07 -0.60 0.00 0.00 178.31 177.09 2i9s h LEU 78 N -0.68 0.10 0.00 1.54 3.38 -1.09 0.83 115.31 119.40 2i9s h LEU 78 Ca -0.02 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2i9s h LEU 78 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2i9s h LEU 78 CO -0.05 0.09 0.00 1.33 0.09 0.00 0.00 178.44 179.90 2i9s n VAL 79 N -5.03 0.06 0.30 1.22 0.24 -0.77 -1.44 118.33 112.91 2i9s n VAL 79 Ca -0.03 0.02 0.08 0.00 -2.04 0.00 0.00 64.34 62.37 2i9s n VAL 79 Cb 0.07 -0.54 0.13 0.00 -1.47 0.00 0.00 33.84 32.03 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 -1.31 2.73 -0.00 -1.34 7.64 -0.02 -4.49 113.62 116.82 2i9s n SER 80 Ca 0.13 -1.80 0.00 0.00 1.01 0.00 0.00 58.87 58.21 2i9s n SER 80 Cb 0.24 -0.13 -0.01 0.00 -1.01 0.00 0.00 64.21 63.29 2i9s n SER 80 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2i9s n GLN 81 N 0.92 1.91 -0.82 1.43 6.02 0.27 -5.00 117.38 122.11 2i9s n GLN 81 Ca 0.12 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 2i9s n GLN 81 Cb 0.44 -1.04 0.00 0.00 1.02 0.00 0.00 30.24 30.66 2i9s n GLN 81 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2i9s n ASP 82 N -1.81 0.03 -4.76 1.08 -0.08 -0.52 -5.06 116.55 105.43 2i9s n ASP 82 Ca -0.01 -0.41 -0.41 0.00 -1.51 0.00 0.00 54.79 52.44 2i9s n ASP 82 Cb 0.30 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.75 2i9s n ASP 82 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 2i9s s ARG 83 N -0.23 4.12 0.04 -0.67 6.06 -1.26 -4.62 118.95 122.38 2i9s s ARG 83 Ca 0.00 2.58 0.05 0.00 -2.50 0.00 0.00 55.73 55.85 2i9s s ARG 83 Cb 0.00 -3.01 -0.02 0.00 0.06 0.00 0.00 34.95 31.98 2i9s s ARG 83 CO 0.00 -0.61 -0.14 0.00 -2.50 0.00 0.00 175.30 172.05 2i9s n ALA 85 N 1.85 0.44 -3.68 0.00 0.00 -1.04 -4.63 120.51 113.44 2i9s n ALA 85 Ca -0.18 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.16 2i9s n ALA 85 Cb 0.55 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.90 2i9s n ALA 85 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2i9s s GLU 86 N -1.00 0.45 -0.42 0.00 2.12 -0.50 -4.97 118.70 114.38 2i9s s GLU 86 Ca 0.00 0.90 0.02 0.00 0.36 0.00 0.00 54.97 56.25 2i9s s GLU 86 Cb 0.00 0.05 0.12 0.00 0.26 0.00 0.00 34.13 34.56 2i9s s GLU 86 CO 0.00 -0.17 0.20 0.14 -0.54 0.00 0.00 175.26 174.89 2i9s s VAL 87 N 1.57 1.52 -0.27 3.70 -7.23 -1.26 0.42 120.40 118.84 2i9s s VAL 87 Ca -0.09 -2.41 -0.00 0.00 -1.81 0.00 0.00 61.98 57.67 2i9s s VAL 87 Cb -0.08 -2.08 0.05 0.00 0.56 0.00 0.00 36.38 34.83 2i9s s VAL 87 CO -0.14 -0.82 -0.06 0.42 -0.31 0.00 0.00 175.10 174.19 2i9s s THR 88 N 0.56 2.66 -0.80 5.32 -4.23 -0.51 -5.01 115.64 113.63 2i9s s THR 88 Ca 0.15 -1.39 -0.11 0.00 -1.18 0.00 0.00 61.69 59.17 2i9s s THR 88 Cb -0.23 -2.49 0.21 0.00 1.34 0.00 0.00 72.50 71.33 2i9s s THR 88 CO -0.05 0.00 0.71 -0.76 -0.54 0.00 0.00 174.62 173.98 2i9s s LEU 89 N 1.22 6.32 0.27 4.79 1.02 -1.26 -1.61 118.68 129.43 2i9s s LEU 89 Ca -0.05 -2.82 -0.09 0.00 0.02 0.00 0.00 54.13 51.19 2i9s s LEU 89 Cb -0.19 -2.11 -0.00 0.00 0.02 0.00 0.00 46.19 43.90 2i9s s LEU 89 CO -0.03 -0.49 0.44 -0.70 0.02 0.00 0.00 176.35 175.59 2i9s s GLU 90 N -0.03 1.63 -0.13 1.70 2.56 -1.26 -4.95 118.70 118.22 2i9s s GLU 90 Ca 0.19 -1.45 -0.13 0.00 0.00 0.00 0.00 54.97 53.58 2i9s s GLU 90 Cb -0.12 0.44 -0.11 0.00 2.00 0.00 0.00 34.13 36.34 2i9s s GLU 90 CO -0.08 -0.67 0.22 0.78 -0.56 0.00 0.00 175.26 174.96 2i9s h GLY 91 N 2.25 0.00 -2.79 -1.50 0.00 -1.88 -3.42 103.07 95.73 2i9s h GLY 91 Ca -0.28 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.48 2i9s h GLY 91 CO 0.39 0.00 -0.66 1.20 0.00 0.00 0.00 176.54 177.47 2i9s s GLN 92 N -1.98 2.27 0.00 4.80 -1.52 -1.26 -4.74 119.66 117.23 2i9s s GLN 92 Ca -0.12 -1.36 0.00 0.00 -1.95 0.00 0.00 55.36 51.93 2i9s s GLN 92 Cb 0.00 -2.18 0.00 0.00 -0.22 0.00 0.00 33.01 30.61 2i9s s GLN 92 CO 0.32 0.38 0.00 -0.12 -0.25 0.00 0.00 175.29 175.62 2i9s n MET 93 N -0.67 0.00 -0.23 2.91 1.56 -1.26 -4.44 117.12 114.99 2i9s n MET 93 Ca -0.07 0.00 0.03 0.00 -0.27 0.00 0.00 57.70 57.39 2i9s n MET 93 Cb 0.58 0.00 0.14 0.00 2.15 0.00 0.00 33.22 36.09 2i9s n MET 93 CO 0.00 0.00 0.00 -0.92 -0.73 0.00 0.00 175.97 174.32 2i9s h TYR 94 N 0.00 0.12 -0.52 1.12 3.20 -1.91 -0.88 116.97 118.10 2i9s h TYR 94 Ca 0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2i9s h TYR 94 Cb 0.00 0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.32 2i9s h TYR 94 CO 0.00 -0.12 0.00 -0.35 -1.64 0.00 0.00 178.16 176.05 2i9s n PRO 95 N -5.22 4.41 -2.69 1.82 -0.04 -1.26 -4.62 135.00 127.40 2i9s n PRO 95 Ca 0.11 -3.08 -0.06 0.00 -0.04 0.00 0.00 63.50 60.43 2i9s n PRO 95 Cb 0.40 -2.15 0.08 0.00 -0.04 0.00 0.00 33.50 31.80 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 0.43 0.14 0.62 0.55 0.00 -0.44 -5.00 105.19 101.49 2i9s n GLY 96 Ca 0.26 0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.56 2i9s n GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49