#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 0.20 0.00 1.61 -0.04 -1.26 -4.96 135.00 130.55 2i9s n PRO 2 Ca 0.00 -0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 2i9s n PRO 2 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 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 1.45 1.51 3.77 0.55 0.00 -1.26 -4.94 105.19 106.27 2i9s n GLY 3 Ca 0.08 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 4.02 -0.18 1.61 -2.85 -1.26 -4.83 119.74 116.25 2i9s s LYS 4 Ca 0.00 -0.06 -0.28 0.00 -1.00 0.00 0.00 55.97 54.63 2i9s s LYS 4 Cb 0.00 -3.36 -0.00 0.00 -2.06 0.00 0.00 37.83 32.41 2i9s s LYS 4 CO 0.00 0.42 0.98 -2.14 0.10 0.00 0.00 175.35 174.71 2i9s s PRO 5 N -0.02 4.32 -0.10 1.78 0.02 -1.26 -4.71 135.00 135.03 2i9s s PRO 5 Ca 0.13 1.29 0.15 0.00 0.02 0.00 0.00 61.00 62.59 2i9s s PRO 5 Cb -0.12 -3.60 0.53 0.00 0.02 0.00 0.00 34.50 31.34 2i9s s PRO 5 CO 0.02 -0.47 1.45 0.39 -0.33 0.00 0.00 177.00 178.07 2i9s n GLU 6 N 5.67 3.24 -3.31 5.54 1.02 -1.14 -4.92 120.64 126.74 2i9s n GLU 6 Ca 0.09 -2.62 -0.20 0.00 -0.02 0.00 0.00 57.16 54.42 2i9s n GLU 6 Cb 0.47 -1.69 0.06 0.00 -0.02 0.00 0.00 31.44 30.27 2i9s n GLU 6 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2i9s n SER 7 N 0.44 -5.65 -3.77 1.62 7.64 0.10 -1.34 113.62 112.66 2i9s n SER 7 Ca 0.20 -0.41 -0.24 0.00 1.01 0.00 0.00 58.87 59.43 2i9s n SER 7 Cb 0.75 -4.31 0.02 0.00 -1.01 0.00 0.00 64.21 59.66 2i9s n SER 7 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2i9s n ILE 8 N -4.55 -4.43 -3.53 0.44 3.06 -0.40 -0.30 119.36 109.64 2i9s n ILE 8 Ca -0.01 -0.62 -0.25 0.00 -2.50 0.00 0.00 62.75 59.37 2i9s n ILE 8 Cb 0.56 -3.61 0.04 0.00 0.54 0.00 0.00 39.64 37.18 2i9s n ILE 8 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2i9s n LEU 9 N -4.26 -3.78 -3.15 9.51 -0.00 -0.45 -0.31 117.00 114.56 2i9s n LEU 9 Ca -0.26 -0.86 -0.22 0.00 -0.00 0.00 0.00 56.01 54.67 2i9s n LEU 9 Cb 0.66 -2.62 0.01 0.00 -0.00 0.00 0.00 43.42 41.48 2i9s n LEU 9 CO 0.70 0.24 -0.03 2.29 -0.00 0.00 0.00 177.39 180.60 2i9s n LYS 10 N -3.67 -4.00 -1.18 1.47 2.85 -0.46 -0.26 118.16 112.90 2i9s n LYS 10 Ca -0.09 0.68 -0.06 0.00 -1.05 0.00 0.00 58.31 57.79 2i9s n LYS 10 Cb 0.59 -5.45 -0.03 0.00 -0.65 0.00 0.00 35.03 29.49 2i9s n LYS 10 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 177.40 177.23 2i9s n MET 11 N -3.81 -1.25 0.05 -1.58 0.00 0.59 -4.48 117.12 106.64 2i9s n MET 11 Ca -0.07 0.64 0.00 0.00 -0.00 0.00 0.00 57.70 58.27 2i9s n MET 11 Cb 0.58 -4.73 0.00 0.00 0.00 0.00 0.00 33.22 29.07 2i9s n MET 11 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 2i9s n THR 12 N -2.41 0.00 0.00 1.12 -1.04 -0.03 -4.88 114.28 107.04 2i9s n THR 12 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 2i9s n THR 12 Cb 0.41 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.92 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 -2.65 0.00 -3.59 -2.82 2.85 0.65 -4.54 118.16 108.07 2i9s n LYS 13 Ca 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.15 2i9s n LYS 13 Cb 0.00 -0.21 -0.06 0.00 -0.65 0.00 0.00 35.03 34.11 2i9s n LYS 13 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 2i9s s LYS 14 N 0.00 0.60 0.00 -1.58 2.20 -1.25 -4.23 119.74 115.48 2i9s s LYS 14 Ca 0.00 0.25 0.00 0.00 -0.36 0.00 0.00 55.97 55.86 2i9s s LYS 14 Cb 0.00 0.28 0.00 0.00 -1.51 0.00 0.00 37.83 36.60 2i9s s LYS 14 CO 0.00 -0.17 0.00 0.41 -0.36 0.00 0.00 175.35 175.23 2i9s n GLY 15 N 1.06 -1.74 3.39 5.54 0.00 -1.07 -4.91 105.19 107.47 2i9s n GLY 15 Ca -0.11 0.56 -0.33 0.00 0.00 0.00 0.00 46.02 46.15 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 2.86 -0.18 1.61 2.20 -1.26 -4.77 119.74 120.21 2i9s s LYS 16 Ca 0.00 -0.73 -0.29 0.00 -0.36 0.00 0.00 55.97 54.58 2i9s s LYS 16 Cb 0.00 -2.43 -0.03 0.00 -1.51 0.00 0.00 37.83 33.86 2i9s s LYS 16 CO 0.00 0.41 1.55 0.99 -0.36 0.00 0.00 175.35 177.94 2i9s s THR 17 N -0.19 3.79 -0.00 3.43 2.01 -1.26 -4.38 115.64 119.04 2i9s s THR 17 Ca -0.01 0.92 0.03 0.00 0.31 0.00 0.00 61.69 62.94 2i9s s THR 17 Cb -0.13 -3.72 -0.01 0.00 0.01 0.00 0.00 72.50 68.65 2i9s s THR 17 CO 0.03 -0.22 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.44 2i9s s LEU 18 N 4.59 2.03 -0.69 4.42 2.96 -0.14 -4.94 118.68 126.91 2i9s s LEU 18 Ca 0.68 -0.17 -0.25 0.00 -0.22 0.00 0.00 54.13 54.17 2i9s s LEU 18 Cb -0.26 -0.43 0.04 0.00 0.50 0.00 0.00 46.19 46.05 2i9s s LEU 18 CO 0.26 0.09 1.15 -0.04 -1.32 0.00 0.00 176.35 176.50 2i9s s MET 19 N -0.25 3.19 0.07 1.98 -1.94 -1.22 0.17 119.30 121.29 2i9s s MET 19 Ca 0.03 -0.41 -0.22 0.00 -1.71 0.00 0.00 55.69 53.38 2i9s s MET 19 Cb -0.03 -4.18 -0.06 0.00 2.01 0.00 0.00 34.83 32.56 2i9s s MET 19 CO -0.00 -1.98 0.66 0.00 -0.01 0.00 0.00 175.02 173.69 2i9s s MET 20 N 5.05 4.38 -0.19 2.03 0.23 -0.63 -3.47 119.30 126.70 2i9s s MET 20 Ca 0.31 0.90 -0.06 0.00 -1.03 0.00 0.00 55.69 55.81 2i9s s MET 20 Cb -0.11 -3.30 -0.03 0.00 -1.53 0.00 0.00 34.83 29.86 2i9s s MET 20 CO 0.14 0.47 0.02 0.12 -2.03 0.00 0.00 175.02 173.74 2i9s s PHE 21 N -0.64 3.09 -0.16 3.16 2.19 -0.57 -1.59 117.98 123.47 2i9s s PHE 21 Ca 0.33 -0.28 -0.00 0.00 0.33 0.00 0.00 56.93 57.31 2i9s s PHE 21 Cb -0.20 -2.07 -0.00 0.00 -1.31 0.00 0.00 43.02 39.43 2i9s s PHE 21 CO 0.21 -0.11 -0.15 0.54 1.83 0.00 0.00 175.22 177.54 2i9s s VAL 22 N 0.78 2.69 -0.14 3.12 0.11 -0.51 -1.24 120.40 125.21 2i9s s VAL 22 Ca 0.01 -0.76 -0.10 0.00 -2.93 0.00 0.00 61.98 58.20 2i9s s VAL 22 Cb -0.14 -2.14 -0.05 0.00 -1.53 0.00 0.00 36.38 32.52 2i9s s VAL 22 CO 0.02 0.51 0.19 -0.89 -3.33 0.00 0.00 175.10 171.60 2i9s s THR 23 N 0.88 5.39 -0.10 5.04 2.01 -0.26 -0.88 115.64 127.72 2i9s s THR 23 Ca -0.04 0.33 -0.01 0.00 0.31 0.00 0.00 61.69 62.28 2i9s s THR 23 Cb -0.15 -3.50 0.03 0.00 0.01 0.00 0.00 72.50 68.89 2i9s s THR 23 CO -0.01 0.52 -0.04 0.54 -0.69 0.00 0.00 174.62 174.94 2i9s s VAL 24 N -0.32 0.74 0.00 3.82 0.11 0.12 -0.78 120.40 124.09 2i9s s VAL 24 Ca 0.14 -0.11 0.00 0.00 -2.93 0.00 0.00 61.98 59.08 2i9s s VAL 24 Cb -0.12 -0.82 0.00 0.00 -1.53 0.00 0.00 36.38 33.90 2i9s s VAL 24 CO 0.03 0.31 0.31 -0.24 -3.33 0.00 0.00 175.10 172.19 2i9s n SER 25 N 5.03 0.63 0.12 3.54 2.88 -1.26 -4.08 113.62 120.49 2i9s n SER 25 Ca -0.10 -0.88 0.05 0.00 -1.33 0.00 0.00 58.87 56.61 2i9s n SER 25 Cb 0.50 0.16 0.50 0.00 -0.75 0.00 0.00 64.21 64.61 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 0.00 0.29 -7.75 0.46 0.00 -1.93 -3.31 103.07 90.83 2i9s h GLY 26 Ca 0.00 -0.12 -0.68 0.00 0.00 0.00 0.00 47.33 46.53 2i9s h GLY 26 CO 0.00 0.12 -0.71 0.21 0.00 0.00 0.00 176.54 176.15 2i9s s ASN 27 N -6.87 4.78 -0.14 0.19 3.84 -1.26 -4.99 114.94 110.48 2i9s s ASN 27 Ca -0.06 -1.58 0.01 0.00 0.21 0.00 0.00 52.86 51.43 2i9s s ASN 27 Cb 0.17 -1.66 0.18 0.00 -0.55 0.00 0.00 41.25 39.39 2i9s s ASN 27 CO 0.71 -0.30 1.42 -0.81 -2.79 0.00 0.00 177.10 175.32 2i9s n PRO 28 N 4.49 1.38 -0.10 0.43 -0.04 -1.25 -4.43 135.00 135.49 2i9s n PRO 28 Ca -0.09 -0.88 0.00 0.00 -0.04 0.00 0.00 63.50 62.49 2i9s n PRO 28 Cb 0.42 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 0.18 0.00 1.22 0.52 -2.24 -1.26 -4.86 114.28 107.84 2i9s n THR 29 Ca 0.17 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.09 2i9s n THR 29 Cb 0.78 0.00 0.54 0.00 -2.10 0.00 0.00 70.33 69.55 2i9s n THR 29 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2i9s n GLU 30 N 0.00 0.36 0.00 -0.78 4.07 -1.26 -3.33 120.64 119.70 2i9s n GLU 30 Ca 0.00 -0.12 -0.12 0.00 -0.06 0.00 0.00 57.16 56.86 2i9s n GLU 30 Cb 0.00 -1.50 -0.08 0.00 -0.06 0.00 0.00 31.44 29.80 2i9s n GLU 30 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 2i9s h LYS 31 N 0.29 0.02 -0.11 5.31 3.11 -1.95 0.37 116.57 123.61 2i9s h LYS 31 Ca 0.00 -0.01 -0.18 0.00 -2.81 0.00 0.00 60.65 57.66 2i9s h LYS 31 Cb 0.42 -0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.65 2i9s h LYS 31 CO 0.00 0.29 -0.67 1.49 -2.81 0.00 0.00 179.45 177.75 2i9s h GLU 32 N -0.25 0.46 -0.38 1.90 4.57 -1.81 -0.76 114.58 118.31 2i9s h GLU 32 Ca 0.00 -0.35 0.08 0.00 -1.18 0.00 0.00 59.36 57.92 2i9s h GLU 32 Cb 0.28 0.06 -0.09 0.00 -0.16 0.00 0.00 28.75 28.85 2i9s h GLU 32 CO 0.00 0.97 -0.25 1.15 -1.18 0.00 0.00 179.01 179.70 2i9s h THR 33 N 0.33 0.34 -0.29 0.32 2.02 -1.69 0.60 112.91 114.54 2i9s h THR 33 Ca -0.02 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.01 2i9s h THR 33 Cb 1.24 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 2i9s h THR 33 CO 0.12 0.00 -0.43 1.05 0.37 0.00 0.00 175.52 176.63 2i9s h GLU 34 N -0.19 0.74 0.46 6.66 4.11 -0.00 0.11 114.58 126.46 2i9s h GLU 34 Ca 0.18 -0.40 -0.02 0.00 0.07 0.00 0.00 59.36 59.19 2i9s h GLU 34 Cb 0.48 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2i9s h GLU 34 CO -0.49 1.02 -0.22 0.93 0.07 0.00 0.00 179.01 180.32 2i9s h GLU 35 N 0.60 -0.59 -0.10 1.06 4.39 -0.74 -0.76 114.58 118.43 2i9s h GLU 35 Ca 0.04 0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.80 2i9s h GLU 35 Cb 0.98 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.75 2i9s h GLU 35 CO 0.09 -0.34 -0.02 0.82 -1.16 0.00 0.00 179.01 178.41 2i9s h ILE 36 N -0.74 0.91 0.52 3.13 2.04 -0.87 0.18 117.51 122.69 2i9s h ILE 36 Ca -0.06 -0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 2i9s h ILE 36 Cb 0.53 0.90 0.01 0.00 -0.74 0.00 0.00 36.82 37.51 2i9s h ILE 36 CO 0.10 0.00 -0.25 0.71 0.00 0.00 0.00 178.15 178.72 2i9s h THR 37 N 0.01 0.38 -0.11 -0.27 1.35 -0.94 0.21 112.91 113.54 2i9s h THR 37 Ca 0.05 -0.36 -0.01 0.00 -0.55 0.00 0.00 66.41 65.53 2i9s h THR 37 Cb 0.07 0.51 -0.00 0.00 -1.73 0.00 0.00 68.15 67.00 2i9s h THR 37 CO -0.10 0.05 0.02 0.28 -0.25 0.00 0.00 175.52 175.52 2i9s h SER 38 N -0.95 0.17 0.07 5.36 0.02 -1.12 0.16 113.55 117.26 2i9s h SER 38 Ca -0.07 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 60.61 2i9s h SER 38 Cb 0.62 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.11 2i9s h SER 38 CO 0.12 0.39 -0.04 -0.07 -1.14 0.00 0.00 176.83 176.09 2i9s h LEU 39 N -0.06 -0.08 0.36 5.07 3.38 -0.69 -0.90 115.31 122.39 2i9s h LEU 39 Ca 0.03 -0.53 -0.02 0.00 0.09 0.00 0.00 57.88 57.45 2i9s h LEU 39 Cb 0.29 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2i9s h LEU 39 CO 0.00 0.58 -0.17 -0.50 0.09 0.00 0.00 178.44 178.45 2i9s h TRP 40 N -0.85 -0.44 0.00 1.13 4.06 -0.63 -1.44 115.95 117.77 2i9s h TRP 40 Ca -0.01 -0.01 -0.02 0.00 2.06 0.00 0.00 58.89 60.91 2i9s h TRP 40 Cb 0.61 0.15 -0.00 0.00 -1.00 0.00 0.00 29.16 28.91 2i9s h TRP 40 CO 0.14 -0.28 -0.10 -0.56 -3.56 0.00 0.00 178.44 174.08 2i9s h GLN 41 N -1.06 0.00 -0.23 0.49 -0.00 -0.05 1.19 115.11 115.45 2i9s h GLN 41 Ca -0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.60 2i9s h GLN 41 Cb 0.37 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.84 2i9s h GLN 41 CO 0.08 0.10 0.12 0.78 -0.00 0.00 0.00 178.83 179.92 2i9s h GLY 42 N 0.78 0.34 2.00 0.06 0.00 -1.02 -1.19 103.07 104.04 2i9s h GLY 42 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.17 2i9s h GLY 42 CO 0.01 0.15 0.00 1.48 0.00 0.00 0.00 176.54 178.18 2i9s h SER 43 N 0.26 0.00 -0.13 0.19 4.64 0.47 -0.16 113.55 118.83 2i9s h SER 43 Ca 0.08 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.34 2i9s h SER 43 Cb 0.07 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 2i9s h SER 43 CO -0.01 0.00 -0.10 -0.07 -0.87 0.00 0.00 176.83 175.78 2i9s h LEU 44 N 0.00 0.44 0.07 5.97 3.38 0.17 0.22 115.31 125.56 2i9s h LEU 44 Ca 0.00 -0.10 -0.29 0.00 0.09 0.00 0.00 57.88 57.58 2i9s h LEU 44 Cb 0.88 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 2i9s h LEU 44 CO 0.00 0.58 -1.53 0.15 0.09 0.00 0.00 178.44 177.73 2i9s h PHE 45 N 0.43 0.26 -0.87 1.13 3.57 -1.07 -2.75 116.94 117.63 2i9s h PHE 45 Ca 0.08 -0.19 -0.01 0.00 3.53 0.00 0.00 57.97 61.39 2i9s h PHE 45 Cb 0.44 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.13 2i9s h PHE 45 CO 0.01 1.25 0.51 -0.97 -2.23 0.00 0.00 178.31 176.89 2i9s h ASN 46 N 0.04 1.05 -0.18 0.41 -0.73 -0.36 -0.94 115.58 114.88 2i9s h ASN 46 Ca -0.23 -0.07 0.00 0.00 1.87 0.00 0.00 56.30 57.87 2i9s h ASN 46 Cb 1.98 -0.27 0.00 0.00 0.27 0.00 0.00 38.32 40.30 2i9s h ASN 46 CO 0.13 0.82 0.00 0.00 -0.37 0.00 0.00 177.43 178.01 2i9s n ALA 47 N -2.41 2.51 -3.63 1.57 0.00 0.72 -4.92 120.51 114.35 2i9s n ALA 47 Ca 0.09 -0.45 -0.24 0.00 0.00 0.00 0.00 53.44 52.84 2i9s n ALA 47 Cb 0.07 -1.08 0.07 0.00 0.00 0.00 0.00 19.45 18.52 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 0.16 -5.63 -0.04 0.00 4.05 -0.36 -4.91 115.26 108.53 2i9s n ASN 48 Ca 0.13 -0.59 0.00 0.00 0.45 0.00 0.00 54.58 54.57 2i9s n ASN 48 Cb 0.25 -4.86 0.00 0.00 1.23 0.00 0.00 39.78 36.40 2i9s n ASN 48 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 2i9s n TYR 49 N -4.87 0.00 -3.60 1.20 4.01 -1.04 -4.92 117.16 107.95 2i9s n TYR 49 Ca -0.02 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.53 2i9s n TYR 49 Cb 0.57 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.59 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 -0.44 -5.60 -3.47 7.72 2.03 -1.26 -4.74 116.55 110.78 2i9s n ASP 50 Ca 0.00 -0.72 -0.14 0.00 0.52 0.00 0.00 54.79 54.45 2i9s n ASP 50 Cb 0.02 -2.58 -0.05 0.00 -0.72 0.00 0.00 41.12 37.78 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 -2.95 0.00 -0.08 5.18 -7.23 -1.26 -3.87 120.40 110.19 2i9s s VAL 51 Ca 0.01 -1.64 -0.01 0.00 -1.81 0.00 0.00 61.98 58.53 2i9s s VAL 51 Cb -0.00 -2.55 0.03 0.00 0.56 0.00 0.00 36.38 34.42 2i9s s VAL 51 CO 0.86 0.00 -0.01 -1.10 -0.31 0.00 0.00 175.10 174.54 2i9s s GLN 52 N -3.35 0.79 0.00 4.82 -0.21 -0.36 -4.97 119.66 116.39 2i9s s GLN 52 Ca 0.31 0.03 0.06 0.00 0.02 0.00 0.00 55.36 55.78 2i9s s GLN 52 Cb 0.01 -1.09 -0.02 0.00 1.00 0.00 0.00 33.01 32.91 2i9s s GLN 52 CO 0.18 -0.29 -0.18 1.03 -2.12 0.00 0.00 175.29 173.91 2i9s s ARG 53 N 1.89 1.40 0.07 2.91 3.00 -1.26 0.71 118.95 127.67 2i9s s ARG 53 Ca 0.05 -0.71 0.04 0.00 0.00 0.00 0.00 55.73 55.10 2i9s s ARG 53 Cb -0.12 -1.39 -0.03 0.00 0.00 0.00 0.00 34.95 33.41 2i9s s ARG 53 CO -0.06 0.37 -0.11 -0.06 0.00 0.00 0.00 175.30 175.45 2i9s s PHE 54 N -0.53 0.98 -0.37 -0.53 0.40 -0.68 -4.92 117.98 112.33 2i9s s PHE 54 Ca 0.07 -0.55 -0.22 0.00 -0.60 0.00 0.00 56.93 55.62 2i9s s PHE 54 Cb -0.07 -0.55 0.01 0.00 0.51 0.00 0.00 43.02 42.91 2i9s s PHE 54 CO -0.00 -0.01 0.75 0.42 0.70 0.00 0.00 175.22 177.07 2i9s s ILE 55 N -1.74 4.77 -0.02 0.64 1.01 -1.26 -0.73 121.20 123.87 2i9s s ILE 55 Ca -0.02 0.77 0.07 0.00 0.00 0.00 0.00 60.65 61.47 2i9s s ILE 55 Cb -0.07 -4.19 -0.10 0.00 0.01 0.00 0.00 42.46 38.11 2i9s s ILE 55 CO 0.01 -0.43 0.13 1.33 0.00 0.00 0.00 174.94 175.98 2i9s n VAL 56 N 5.76 0.07 0.00 2.92 0.24 -1.17 -5.00 118.33 121.15 2i9s n VAL 56 Ca 0.02 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 2i9s n VAL 56 Cb 0.48 0.16 0.00 0.00 -1.47 0.00 0.00 33.84 33.01 2i9s n VAL 56 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2i9s n GLY 57 N 2.20 0.82 3.65 7.63 0.00 -0.51 -4.92 105.19 114.07 2i9s n GLY 57 Ca -0.03 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 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 0.00 6.52 0.00 1.61 0.01 -1.26 -0.17 113.70 120.41 2i9s s SER 58 Ca 0.00 2.15 0.00 0.00 1.31 0.00 0.00 55.95 59.41 2i9s s SER 58 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2i9s s SER 58 CO 0.00 -1.06 0.00 -0.67 0.41 0.00 0.00 173.24 171.92 2i9s n ASP 59 N 7.67 -1.14 -3.90 2.44 -0.08 -1.21 -4.84 116.55 115.49 2i9s n ASP 59 Ca 0.18 0.00 -0.18 0.00 -1.51 0.00 0.00 54.79 53.28 2i9s n ASP 59 Cb 0.43 -0.19 -0.16 0.00 2.34 0.00 0.00 41.12 43.54 2i9s n ASP 59 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2i9s s ARG 60 N -0.25 0.66 0.16 -0.67 3.00 0.76 0.14 118.95 122.75 2i9s s ARG 60 Ca 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 55.73 55.58 2i9s s ARG 60 Cb 0.00 -0.68 -0.03 0.00 0.00 0.00 0.00 34.95 34.24 2i9s s ARG 60 CO 0.00 -0.03 0.16 0.00 0.00 0.00 0.00 175.30 175.43 2i9s s ALA 61 N 0.64 0.56 0.06 2.13 0.00 -0.06 -1.42 121.76 123.67 2i9s s ALA 61 Ca -0.08 -1.28 -0.08 0.00 0.00 0.00 0.00 51.96 50.53 2i9s s ALA 61 Cb -0.11 0.94 -0.01 0.00 0.00 0.00 0.00 23.12 23.94 2i9s s ALA 61 CO -0.00 -0.57 0.15 0.96 0.00 0.00 0.00 175.76 176.30 2i9s s ILE 62 N -4.03 0.14 -0.26 0.00 -4.36 0.09 -1.42 121.20 111.36 2i9s s ILE 62 Ca 0.24 -1.17 -0.02 0.00 -0.26 0.00 0.00 60.65 59.44 2i9s s ILE 62 Cb 0.06 -1.19 0.08 0.00 1.25 0.00 0.00 42.46 42.66 2i9s s ILE 62 CO 0.03 -0.64 0.08 0.72 0.24 0.00 0.00 174.94 175.36 2i9s s PHE 63 N -3.37 1.25 -0.44 1.37 -0.71 -0.62 -1.69 117.98 113.76 2i9s s PHE 63 Ca 0.01 -1.27 -0.26 0.00 -1.04 0.00 0.00 56.93 54.38 2i9s s PHE 63 Cb 0.03 -1.32 0.02 0.00 -1.21 0.00 0.00 43.02 40.54 2i9s s PHE 63 CO -0.08 -0.77 0.94 1.41 -1.34 0.00 0.00 175.22 175.38 2i9s s MET 64 N 1.78 3.60 0.03 1.99 1.75 0.22 -1.60 119.30 127.08 2i9s s MET 64 Ca 0.05 0.26 -0.00 0.00 -1.25 0.00 0.00 55.69 54.76 2i9s s MET 64 Cb -0.17 -3.90 -0.04 0.00 2.84 0.00 0.00 34.83 33.56 2i9s s MET 64 CO -0.20 -1.18 0.15 -0.48 -0.65 0.00 0.00 175.02 172.65 2i9s s LEU 65 N 3.75 4.14 0.01 4.11 2.34 0.13 -1.22 118.68 131.93 2i9s s LEU 65 Ca 0.38 0.20 -0.05 0.00 0.06 0.00 0.00 54.13 54.73 2i9s s LEU 65 Cb -0.10 -2.63 -0.02 0.00 -0.56 0.00 0.00 46.19 42.89 2i9s s LEU 65 CO 0.25 0.21 -0.09 -1.14 -1.06 0.00 0.00 176.35 174.53 2i9s n ARG 66 N 0.68 0.13 0.26 1.48 3.00 -1.25 -0.96 116.66 119.99 2i9s n ARG 66 Ca -0.09 0.05 0.06 0.00 -0.00 0.00 0.00 57.85 57.88 2i9s n ARG 66 Cb 0.52 -0.66 0.33 0.00 0.00 0.00 0.00 32.46 32.65 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 -0.25 0.00 0.00 6.15 3.58 -1.88 -3.38 116.42 120.63 2i9s h ASP 67 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2i9s h ASP 67 Cb 0.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.30 2i9s h ASP 67 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 2i9s n GLY 68 N -1.31 2.96 1.14 -0.78 0.00 -1.26 -4.50 105.19 101.43 2i9s n GLY 68 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 2i9s n GLY 68 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2i9s n SER 69 N 0.00 2.91 0.00 1.61 7.64 -1.26 -2.59 113.62 121.94 2i9s n SER 69 Ca 0.00 -3.85 0.00 0.00 1.01 0.00 0.00 58.87 56.03 2i9s n SER 69 Cb 0.00 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 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 -0.99 0.00 0.10 1.43 0.18 -1.26 -4.86 117.16 111.75 2i9s n TYR 70 Ca 0.29 0.00 -0.03 0.00 1.88 0.00 0.00 57.90 60.04 2i9s n TYR 70 Cb 0.81 0.06 -0.03 0.00 -0.38 0.00 0.00 39.34 39.80 2i9s n TYR 70 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2i9s h ALA 71 N 0.00 0.53 0.00 -3.48 0.00 -1.89 -3.07 119.26 111.35 2i9s h ALA 71 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.20 2i9s h ALA 71 Cb 0.63 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2i9s h ALA 71 CO 0.00 0.98 -0.51 0.91 0.00 0.00 0.00 179.25 180.63 2i9s n TRP 72 N -3.35 0.28 0.12 0.00 8.01 -1.26 -0.91 117.44 120.34 2i9s n TRP 72 Ca 0.01 0.08 -0.02 0.00 -1.31 0.00 0.00 57.50 56.26 2i9s n TRP 72 Cb 0.83 -0.48 0.09 0.00 -2.01 0.00 0.00 31.31 29.74 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 0.00 -0.13 -0.99 3.07 -1.90 -1.66 114.58 112.96 2i9s h GLU 73 Ca 0.00 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.76 2i9s h GLU 73 Cb 0.62 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.52 2i9s h GLU 73 CO 0.00 0.70 -0.38 0.82 -1.40 0.00 0.00 179.01 178.75 2i9s h ILE 74 N 0.00 1.30 -0.64 3.13 2.04 -1.08 -1.95 117.51 120.31 2i9s h ILE 74 Ca -0.01 -1.46 0.02 0.00 1.00 0.00 0.00 64.86 64.41 2i9s h ILE 74 Cb 1.30 1.62 -0.04 0.00 -0.74 0.00 0.00 36.82 38.97 2i9s h ILE 74 CO 0.09 0.44 0.40 0.50 0.00 0.00 0.00 178.15 179.58 2i9s h LYS 75 N 0.24 0.77 -0.48 2.37 3.11 -0.49 -0.51 116.57 121.58 2i9s h LYS 75 Ca 0.03 -0.05 0.10 0.00 -2.81 0.00 0.00 60.65 57.92 2i9s h LYS 75 Cb 0.79 -0.17 -0.09 0.00 -1.00 0.00 0.00 32.23 31.75 2i9s h LYS 75 CO 0.06 0.51 -0.12 0.22 -2.81 0.00 0.00 179.45 177.31 2i9s h ASP 76 N 0.80 -0.46 -0.72 4.20 3.58 -0.70 -0.93 116.42 122.19 2i9s h ASP 76 Ca 0.25 0.15 0.07 0.00 0.42 0.00 0.00 57.03 57.92 2i9s h ASP 76 Cb -0.01 0.30 -0.06 0.00 1.72 0.00 0.00 39.33 41.28 2i9s h ASP 76 CO -0.09 -0.16 0.39 -0.26 -2.88 0.00 0.00 179.24 176.24 2i9s h PHE 77 N -0.00 0.72 -0.04 0.28 0.04 -0.42 -0.28 116.94 117.24 2i9s h PHE 77 Ca 0.23 0.03 0.02 0.00 2.80 0.00 0.00 57.97 61.05 2i9s h PHE 77 Cb 0.36 -0.22 -0.06 0.00 2.20 0.00 0.00 35.95 38.23 2i9s h PHE 77 CO -0.42 0.31 -0.52 -0.07 -0.60 0.00 0.00 178.31 177.02 2i9s h LEU 78 N 0.70 -1.63 0.00 1.54 3.38 0.06 0.82 115.31 120.19 2i9s h LEU 78 Ca 0.33 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.49 2i9s h LEU 78 Cb 0.26 0.62 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2i9s h LEU 78 CO -0.22 -0.50 0.00 1.33 0.09 0.00 0.00 178.44 179.15 2i9s n VAL 79 N -5.34 0.38 0.76 1.22 0.24 -0.83 -0.20 118.33 114.56 2i9s n VAL 79 Ca -0.07 0.10 0.08 0.00 -2.04 0.00 0.00 64.34 62.41 2i9s n VAL 79 Cb 0.38 -0.72 -0.02 0.00 -1.47 0.00 0.00 33.84 32.01 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 -1.39 1.53 -0.07 -1.34 7.64 -0.13 -4.55 113.62 115.30 2i9s n SER 80 Ca 0.08 -1.27 -0.08 0.00 1.01 0.00 0.00 58.87 58.62 2i9s n SER 80 Cb 0.22 0.56 -0.05 0.00 -1.01 0.00 0.00 64.21 63.93 2i9s n SER 80 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2i9s h GLN 81 N 1.57 0.00 0.00 1.43 1.08 0.39 -3.49 115.11 116.09 2i9s h GLN 81 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2i9s h GLN 81 Cb 0.55 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 2i9s h GLN 81 CO 0.00 0.35 0.00 -3.47 -0.95 0.00 0.00 178.83 174.76 2i9s n ASP 82 N -4.63 0.00 -4.82 1.46 2.03 -0.82 -5.10 116.55 104.67 2i9s n ASP 82 Ca -0.10 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 54.85 2i9s n ASP 82 Cb 0.29 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.63 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 0.00 4.17 -0.09 -0.67 1.81 -1.26 -4.84 118.95 118.06 2i9s s ARG 83 Ca 0.00 0.74 -0.29 0.00 -1.72 0.00 0.00 55.73 54.47 2i9s s ARG 83 Cb 0.00 -2.93 0.07 0.00 -0.45 0.00 0.00 34.95 31.64 2i9s s ARG 83 CO 0.00 0.44 0.66 0.00 -0.68 0.00 0.00 175.30 175.72 2i9s n ALA 85 N 1.32 0.08 -3.66 0.00 0.00 -1.16 -4.64 120.51 112.45 2i9s n ALA 85 Ca -0.18 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.05 2i9s n ALA 85 Cb 0.57 0.00 -0.18 0.00 0.00 0.00 0.00 19.45 19.84 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 -1.45 -0.06 -0.38 0.00 2.12 0.04 -4.97 118.70 114.00 2i9s s GLU 86 Ca 0.00 0.33 -0.03 0.00 0.36 0.00 0.00 54.97 55.63 2i9s s GLU 86 Cb 0.00 -0.66 0.09 0.00 0.26 0.00 0.00 34.13 33.82 2i9s s GLU 86 CO 0.00 -0.37 0.16 0.54 -0.54 0.00 0.00 175.26 175.05 2i9s s VAL 87 N 2.17 3.28 -0.14 3.70 0.11 -1.26 -1.10 120.40 127.16 2i9s s VAL 87 Ca 0.05 -1.86 0.02 0.00 -2.93 0.00 0.00 61.98 57.26 2i9s s VAL 87 Cb -0.12 -3.15 0.01 0.00 -1.53 0.00 0.00 36.38 31.58 2i9s s VAL 87 CO -0.04 -0.54 -0.22 0.42 -3.33 0.00 0.00 175.10 171.39 2i9s s THR 88 N 1.18 2.09 -0.97 5.04 -4.23 -0.37 -5.04 115.64 113.34 2i9s s THR 88 Ca 0.05 -0.97 -0.24 0.00 -1.18 0.00 0.00 61.69 59.36 2i9s s THR 88 Cb -0.22 -1.84 0.01 0.00 1.34 0.00 0.00 72.50 71.79 2i9s s THR 88 CO -0.03 0.55 1.66 -0.22 -0.54 0.00 0.00 174.62 176.03 2i9s s LEU 89 N 0.84 3.36 0.11 4.79 2.96 -1.26 -1.51 118.68 127.97 2i9s s LEU 89 Ca -0.06 -1.13 0.05 0.00 -0.22 0.00 0.00 54.13 52.76 2i9s s LEU 89 Cb -0.15 -2.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.93 2i9s s LEU 89 CO -0.02 -2.02 0.06 -0.70 -1.32 0.00 0.00 176.35 172.34 2i9s s GLU 90 N 5.82 2.73 0.00 1.98 2.56 -1.23 -4.32 118.70 126.24 2i9s s GLU 90 Ca 0.56 -0.83 0.00 0.00 0.00 0.00 0.00 54.97 54.70 2i9s s GLU 90 Cb -0.03 -2.61 0.00 0.00 2.00 0.00 0.00 34.13 33.50 2i9s s GLU 90 CO -0.06 0.52 0.00 0.41 -0.56 0.00 0.00 175.26 175.57 2i9s n GLY 91 N 0.22 2.34 3.24 -1.50 0.00 -1.26 -3.42 105.19 104.80 2i9s n GLY 91 Ca -0.09 -0.62 -0.37 0.00 0.00 0.00 0.00 46.02 44.94 2i9s n GLY 91 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2i9s s GLN 92 N 0.00 2.55 0.98 1.61 -0.21 -1.26 -5.01 119.66 118.31 2i9s s GLN 92 Ca 0.00 -1.22 -0.15 0.00 0.02 0.00 0.00 55.36 54.02 2i9s s GLN 92 Cb 0.00 -3.36 0.18 0.00 1.00 0.00 0.00 33.01 30.83 2i9s s GLN 92 CO 0.00 -0.65 1.18 -1.64 -2.12 0.00 0.00 175.29 172.06 2i9s s MET 93 N 1.35 0.60 -0.10 2.91 -1.94 -1.26 -4.98 119.30 115.87 2i9s s MET 93 Ca -0.03 0.02 0.00 0.00 -1.71 0.00 0.00 55.69 53.97 2i9s s MET 93 Cb -0.20 -1.80 0.02 0.00 2.01 0.00 0.00 34.83 34.87 2i9s s MET 93 CO 0.01 -2.51 -0.08 1.52 -0.01 0.00 0.00 175.02 173.95 2i9s s TYR 94 N -3.41 1.46 -0.45 -0.03 1.13 -1.26 -4.12 117.35 110.67 2i9s s TYR 94 Ca 0.68 -0.68 -0.27 0.00 -1.41 0.00 0.00 57.07 55.38 2i9s s TYR 94 Cb -0.11 -1.18 -0.03 0.00 -1.10 0.00 0.00 41.96 39.54 2i9s s TYR 94 CO 0.53 -0.46 1.91 -1.25 -2.51 0.00 0.00 175.55 173.77 2i9s s PRO 95 N 1.48 2.93 3.09 -3.49 0.04 -1.26 -4.43 135.00 133.35 2i9s s PRO 95 Ca 0.01 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.19 2i9s s PRO 95 Cb -0.13 -4.32 0.00 0.00 0.04 0.00 0.00 34.50 30.09 2i9s s PRO 95 CO -0.06 -2.35 0.00 0.41 0.04 0.00 0.00 177.00 175.04 2i9s n GLY 96 N 5.60 2.06 0.00 0.56 0.00 -1.26 -4.40 105.19 107.76 2i9s n GLY 96 Ca 0.24 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2i9s n GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49