#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 0.00 1.61 0.13 -2.03 -3.46 132.00 128.25 2i9s h PRO 2 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2i9s h PRO 2 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2i9s h PRO 2 CO 0.00 0.49 0.00 0.41 -0.23 0.00 0.00 178.00 178.67 2i9s n GLY 3 N 0.02 1.10 3.52 1.56 0.00 -1.26 -5.02 105.19 105.11 2i9s n GLY 3 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.27 2.15 -0.00 1.61 2.20 -1.26 -5.07 119.74 119.10 2i9s s LYS 4 Ca 0.00 -0.96 -0.30 0.00 -0.36 0.00 0.00 55.97 54.35 2i9s s LYS 4 Cb 0.00 -2.27 -0.08 0.00 -1.51 0.00 0.00 37.83 33.97 2i9s s LYS 4 CO 0.00 0.54 1.90 -2.14 -0.36 0.00 0.00 175.35 175.28 2i9s s PRO 5 N -1.70 4.09 0.00 4.03 0.02 -1.24 -4.85 135.00 135.35 2i9s s PRO 5 Ca 0.17 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.65 2i9s s PRO 5 Cb -0.11 -4.13 0.00 0.00 0.02 0.00 0.00 34.50 30.28 2i9s s PRO 5 CO 0.08 -1.00 0.88 0.39 -0.33 0.00 0.00 177.00 177.02 2i9s n GLU 6 N 7.51 0.92 -3.34 5.54 1.02 -1.21 -4.79 120.64 126.29 2i9s n GLU 6 Ca 0.20 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.17 2i9s n GLU 6 Cb 0.42 -1.04 0.08 0.00 -0.02 0.00 0.00 31.44 30.88 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 -0.45 -3.24 -3.93 1.62 7.64 -0.86 -1.57 113.62 112.83 2i9s n SER 7 Ca 0.00 -0.53 -0.30 0.00 1.01 0.00 0.00 58.87 59.04 2i9s n SER 7 Cb 0.02 -4.63 -0.00 0.00 -1.01 0.00 0.00 64.21 58.59 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 -4.10 -3.63 -3.20 0.44 3.06 -0.51 -0.37 119.36 111.06 2i9s n ILE 8 Ca -0.18 -0.65 -0.06 0.00 -2.50 0.00 0.00 62.75 59.37 2i9s n ILE 8 Cb 0.62 -2.94 0.01 0.00 0.54 0.00 0.00 39.64 37.87 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 -4.44 -5.92 -3.58 9.51 -0.00 -1.00 -0.61 117.00 110.96 2i9s n LEU 9 Ca -0.23 -0.29 -0.26 0.00 -0.00 0.00 0.00 56.01 55.23 2i9s n LEU 9 Cb 0.64 -3.06 0.04 0.00 -0.00 0.00 0.00 43.42 41.04 2i9s n LEU 9 CO 0.74 -0.75 -0.04 2.29 -0.00 0.00 0.00 177.39 179.63 2i9s n LYS 10 N -2.13 -1.36 -2.95 1.47 2.85 -0.61 -1.11 118.16 114.32 2i9s n LYS 10 Ca -0.05 0.62 -0.14 0.00 -1.05 0.00 0.00 58.31 57.68 2i9s n LYS 10 Cb 0.54 -4.33 0.04 0.00 -0.65 0.00 0.00 35.03 30.63 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 -3.76 -4.01 -2.71 -1.58 0.00 0.51 -3.01 117.12 102.56 2i9s n MET 11 Ca -0.10 0.55 -0.10 0.00 0.00 0.00 0.00 57.70 58.05 2i9s n MET 11 Cb 0.59 -4.68 0.02 0.00 0.00 0.00 0.00 33.22 29.16 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 -4.06 -1.01 0.00 1.12 -1.04 0.22 -5.02 114.28 104.49 2i9s n THR 12 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 2i9s n THR 12 Cb 0.56 -2.25 0.00 0.00 -1.82 0.00 0.00 70.33 66.82 2i9s n THR 12 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2i9s n LYS 13 N -2.26 0.00 -1.84 -2.82 5.02 -0.27 -4.90 118.16 111.09 2i9s n LYS 13 Ca -0.03 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.23 2i9s n LYS 13 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.56 2i9s n LYS 13 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2i9s n LYS 14 N 0.00 0.22 0.00 1.97 5.02 -1.25 -3.30 118.16 120.83 2i9s n LYS 14 Ca 0.00 -0.57 0.00 0.00 -2.02 0.00 0.00 58.31 55.72 2i9s n LYS 14 Cb 0.00 0.64 0.00 0.00 -0.02 0.00 0.00 35.03 35.65 2i9s n LYS 14 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2i9s n GLY 15 N -0.13 2.68 3.75 0.72 0.00 -0.80 -4.73 105.19 106.68 2i9s n GLY 15 Ca -0.01 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 2i9s n GLY 15 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2i9s s LYS 16 N 0.00 4.55 -0.21 1.61 2.47 -1.26 -4.80 119.74 122.09 2i9s s LYS 16 Ca 0.00 1.15 -0.29 0.00 -1.56 0.00 0.00 55.97 55.27 2i9s s LYS 16 Cb 0.00 -3.34 -0.03 0.00 -1.46 0.00 0.00 37.83 33.00 2i9s s LYS 16 CO 0.00 0.34 1.61 0.99 0.16 0.00 0.00 175.35 178.45 2i9s s THR 17 N -0.32 3.70 -0.40 3.43 2.01 -1.26 -3.67 115.64 119.13 2i9s s THR 17 Ca 0.39 0.80 -0.05 0.00 0.31 0.00 0.00 61.69 63.14 2i9s s THR 17 Cb -0.22 -3.71 0.09 0.00 0.01 0.00 0.00 72.50 68.68 2i9s s THR 17 CO 0.25 -0.29 0.20 -0.22 -0.69 0.00 0.00 174.62 173.88 2i9s s LEU 18 N 5.13 5.06 -0.25 4.42 1.98 -0.26 -4.79 118.68 129.97 2i9s s LEU 18 Ca 0.71 -1.76 -0.25 0.00 -2.89 0.00 0.00 54.13 49.95 2i9s s LEU 18 Cb -0.25 -1.87 -0.00 0.00 0.66 0.00 0.00 46.19 44.72 2i9s s LEU 18 CO 0.29 -0.51 0.84 -0.32 -1.89 0.00 0.00 176.35 174.75 2i9s s MET 19 N 1.26 4.16 -0.33 1.98 -2.45 -1.26 -0.89 119.30 121.77 2i9s s MET 19 Ca 0.04 0.92 -0.06 0.00 -1.25 0.00 0.00 55.69 55.35 2i9s s MET 19 Cb -0.23 -3.66 0.04 0.00 1.25 0.00 0.00 34.83 32.24 2i9s s MET 19 CO -0.02 -0.55 0.09 1.41 1.05 0.00 0.00 175.02 177.00 2i9s s MET 20 N 2.89 2.59 -0.33 4.11 1.75 -0.50 -1.47 119.30 128.34 2i9s s MET 20 Ca 0.35 -1.19 -0.19 0.00 -1.25 0.00 0.00 55.69 53.41 2i9s s MET 20 Cb -0.15 -3.41 -0.01 0.00 2.84 0.00 0.00 34.83 34.11 2i9s s MET 20 CO 0.08 -0.65 0.58 0.12 -0.65 0.00 0.00 175.02 174.50 2i9s s PHE 21 N 1.38 3.19 -0.06 4.11 2.19 -0.22 -1.61 117.98 126.95 2i9s s PHE 21 Ca -0.02 0.38 0.02 0.00 0.33 0.00 0.00 56.93 57.64 2i9s s PHE 21 Cb -0.20 -2.99 0.01 0.00 -1.31 0.00 0.00 43.02 38.53 2i9s s PHE 21 CO 0.02 -0.53 -0.12 0.54 1.83 0.00 0.00 175.22 176.96 2i9s s VAL 22 N 2.55 1.14 0.22 3.12 0.11 -0.27 -0.85 120.40 126.41 2i9s s VAL 22 Ca 0.22 -0.49 -0.21 0.00 -2.93 0.00 0.00 61.98 58.57 2i9s s VAL 22 Cb -0.15 -1.03 -0.08 0.00 -1.53 0.00 0.00 36.38 33.58 2i9s s VAL 22 CO 0.13 0.35 0.75 -0.89 -3.33 0.00 0.00 175.10 172.12 2i9s s THR 23 N 0.59 4.50 -0.04 5.04 2.01 0.13 -1.37 115.64 126.50 2i9s s THR 23 Ca -0.13 1.41 0.04 0.00 0.31 0.00 0.00 61.69 63.32 2i9s s THR 23 Cb -0.15 -3.92 -0.00 0.00 0.01 0.00 0.00 72.50 68.43 2i9s s THR 23 CO 0.03 0.26 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.37 2i9s s VAL 24 N -1.46 1.35 -0.01 3.82 1.01 0.22 -0.64 120.40 124.70 2i9s s VAL 24 Ca 0.42 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.76 2i9s s VAL 24 Cb -0.18 -1.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 2i9s s VAL 24 CO 0.22 0.39 0.06 -0.24 0.00 0.00 0.00 175.10 175.53 2i9s n SER 25 N 3.15 4.28 -0.22 3.32 2.88 -0.39 -4.68 113.62 121.96 2i9s n SER 25 Ca -0.18 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.38 2i9s n SER 25 Cb 0.53 1.07 0.13 0.00 -0.75 0.00 0.00 64.21 65.20 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 0.57 0.96 -6.85 0.46 0.00 -1.98 -3.37 103.07 92.86 2i9s h GLY 26 Ca -0.01 -0.13 -0.67 0.00 0.00 0.00 0.00 47.33 46.52 2i9s h GLY 26 CO 0.00 -0.04 -0.77 0.21 0.00 0.00 0.00 176.54 175.94 2i9s s ASN 27 N -5.38 4.03 -0.20 0.19 3.84 -1.26 -5.00 114.94 111.16 2i9s s ASN 27 Ca -0.13 -0.77 0.01 0.00 0.21 0.00 0.00 52.86 52.18 2i9s s ASN 27 Cb 0.18 -1.62 0.27 0.00 -0.55 0.00 0.00 41.25 39.53 2i9s s ASN 27 CO 0.75 -0.08 1.44 -0.81 -2.79 0.00 0.00 177.10 175.61 2i9s n PRO 28 N 4.66 1.54 -3.12 0.43 -0.04 -1.26 -4.59 135.00 132.62 2i9s n PRO 28 Ca -0.18 -1.27 -0.10 0.00 -0.04 0.00 0.00 63.50 61.91 2i9s n PRO 28 Cb 0.48 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.40 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 -0.13 0.00 1.73 0.52 -2.24 -1.08 -4.88 114.28 108.19 2i9s n THR 29 Ca 0.25 -1.21 0.13 0.00 -2.27 0.00 0.00 64.05 60.95 2i9s n THR 29 Cb 0.96 0.59 0.79 0.00 -2.10 0.00 0.00 70.33 70.57 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 -0.33 0.86 -0.11 -0.78 2.13 -1.26 -3.20 120.64 117.96 2i9s n GLU 30 Ca 0.03 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.73 2i9s n GLU 30 Cb 0.30 -1.48 -0.03 0.00 0.27 0.00 0.00 31.44 30.50 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 0.67 -0.27 5.31 3.11 -1.90 -0.45 116.57 123.04 2i9s h LYS 31 Ca 0.00 -0.29 -0.18 0.00 -2.81 0.00 0.00 60.65 57.37 2i9s h LYS 31 Cb 0.00 -0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 31.21 2i9s h LYS 31 CO 0.00 0.88 -0.55 1.49 -2.81 0.00 0.00 179.45 178.46 2i9s h GLU 32 N 0.44 0.83 -0.64 1.90 4.57 -1.80 -1.52 114.58 118.36 2i9s h GLU 32 Ca 0.07 -0.53 0.11 0.00 -1.18 0.00 0.00 59.36 57.84 2i9s h GLU 32 Cb 0.67 0.06 -0.12 0.00 -0.16 0.00 0.00 28.75 29.21 2i9s h GLU 32 CO 0.05 1.16 -0.35 1.15 -1.18 0.00 0.00 179.01 179.84 2i9s h THR 33 N 0.63 0.15 -0.23 0.32 2.02 -1.65 -0.35 112.91 113.80 2i9s h THR 33 Ca 0.01 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.07 2i9s h THR 33 Cb 1.15 0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2i9s h THR 33 CO 0.12 0.00 -0.33 1.05 0.37 0.00 0.00 175.52 176.73 2i9s h GLU 34 N -0.15 0.64 -0.02 6.66 4.11 -0.89 0.93 114.58 125.87 2i9s h GLU 34 Ca 0.24 -0.37 0.03 0.00 0.07 0.00 0.00 59.36 59.33 2i9s h GLU 34 Cb 0.56 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 2i9s h GLU 34 CO -0.72 0.99 -0.32 1.49 0.07 0.00 0.00 179.01 180.52 2i9s h GLU 35 N 0.34 -0.45 -0.48 1.06 4.57 -0.94 -1.28 114.58 117.41 2i9s h GLU 35 Ca 0.02 0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.20 2i9s h GLU 35 Cb 0.92 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.58 2i9s h GLU 35 CO 0.08 -0.30 0.17 0.82 -1.18 0.00 0.00 179.01 178.60 2i9s h ILE 36 N -0.46 1.19 0.48 2.32 2.04 -1.05 -0.38 117.51 121.65 2i9s h ILE 36 Ca 0.07 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 2i9s h ILE 36 Cb 0.56 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 2i9s h ILE 36 CO -0.28 0.24 -0.23 0.74 0.00 0.00 0.00 178.15 178.62 2i9s h THR 37 N 0.69 0.52 -0.10 -0.27 2.02 0.29 0.24 112.91 116.30 2i9s h THR 37 Ca 0.16 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 2i9s h THR 37 Cb 0.18 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 2i9s h THR 37 CO -0.01 0.03 0.01 0.28 0.37 0.00 0.00 175.52 176.19 2i9s h SER 38 N -0.74 0.16 0.52 4.18 0.02 -1.16 0.28 113.55 116.81 2i9s h SER 38 Ca -0.07 -0.28 -0.03 0.00 -0.84 0.00 0.00 61.79 60.58 2i9s h SER 38 Cb 0.54 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 63.04 2i9s h SER 38 CO 0.11 0.40 -0.25 -0.07 -1.14 0.00 0.00 176.83 175.88 2i9s h LEU 39 N -0.08 -0.59 0.00 5.07 3.38 -1.08 -0.14 115.31 121.87 2i9s h LEU 39 Ca 0.03 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2i9s h LEU 39 Cb 0.31 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2i9s h LEU 39 CO 0.00 -0.23 0.00 0.79 0.09 0.00 0.00 178.44 179.10 2i9s n TRP 40 N -5.28 0.00 0.41 1.13 8.01 0.85 -1.61 117.44 120.95 2i9s n TRP 40 Ca -0.11 0.00 0.13 0.00 -1.31 0.00 0.00 57.50 56.21 2i9s n TRP 40 Cb 0.32 -0.30 0.50 0.00 -2.01 0.00 0.00 31.31 29.82 2i9s n TRP 40 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 177.69 176.12 2i9s h GLN 41 N 0.00 0.00 0.08 -0.99 -0.00 -0.43 0.61 115.11 114.39 2i9s h GLN 41 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2i9s h GLN 41 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 2i9s h GLN 41 CO 0.00 0.00 -0.04 0.78 -0.00 0.00 0.00 178.83 179.57 2i9s h GLY 42 N 2.67 -0.12 2.00 0.06 0.00 0.18 -0.36 103.07 107.50 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 0.00 -0.04 -0.39 0.23 0.00 0.00 0.00 176.54 176.34 2i9s h SER 43 N -0.48 0.00 0.24 0.19 0.87 -0.12 0.24 113.55 114.49 2i9s h SER 43 Ca -0.01 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.51 2i9s h SER 43 Cb 0.40 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 2i9s h SER 43 CO 0.02 0.39 -0.18 -0.07 -0.53 0.00 0.00 176.83 176.45 2i9s h LEU 44 N 0.00 0.00 0.00 2.23 3.38 0.40 0.26 115.31 121.57 2i9s h LEU 44 Ca -0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.69 2i9s h LEU 44 Cb 0.81 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.51 2i9s h LEU 44 CO 0.05 0.18 -1.91 0.33 0.09 0.00 0.00 178.44 177.19 2i9s n PHE 45 N -4.13 0.58 0.14 1.13 7.35 -0.17 -3.12 117.46 119.23 2i9s n PHE 45 Ca -0.02 0.20 -0.01 0.00 -0.76 0.00 0.00 57.45 56.86 2i9s n PHE 45 Cb 0.26 -1.05 0.16 0.00 0.35 0.00 0.00 39.48 39.20 2i9s n PHE 45 CO 0.00 0.00 0.00 -0.97 -0.76 0.00 0.00 176.76 175.03 2i9s h ASN 46 N 0.00 0.00 -0.36 -2.13 -0.73 0.17 -1.56 115.58 110.97 2i9s h ASN 46 Ca -0.33 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.84 2i9s h ASN 46 Cb 1.94 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.53 2i9s h ASN 46 CO 0.05 0.62 0.00 0.00 -0.37 0.00 0.00 177.43 177.73 2i9s n ALA 47 N -2.41 2.59 -4.19 1.57 0.00 0.84 -4.94 120.51 113.97 2i9s n ALA 47 Ca -0.01 -0.71 -0.33 0.00 0.00 0.00 0.00 53.44 52.39 2i9s n ALA 47 Cb 0.63 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 19.05 2i9s n ALA 47 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2i9s n ASN 48 N 0.54 -1.60 -4.84 0.00 6.94 -0.59 -4.97 115.26 110.75 2i9s n ASN 48 Ca 0.13 -1.08 -0.32 0.00 -0.02 0.00 0.00 54.58 53.29 2i9s n ASN 48 Cb 0.39 -2.55 -0.06 0.00 -2.36 0.00 0.00 39.78 35.20 2i9s n ASN 48 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 2i9s s TYR 49 N -3.66 3.37 -1.04 -2.53 2.02 -1.18 -4.96 117.35 109.37 2i9s s TYR 49 Ca 0.42 1.41 -0.20 0.00 -0.37 0.00 0.00 57.07 58.33 2i9s s TYR 49 Cb -0.23 -2.71 0.10 0.00 -0.40 0.00 0.00 41.96 38.72 2i9s s TYR 49 CO 0.94 -0.10 1.36 0.34 -1.57 0.00 0.00 175.55 176.51 2i9s s ASP 50 N -2.49 6.66 0.30 2.29 2.15 -1.26 -4.85 116.67 119.47 2i9s s ASP 50 Ca 0.58 -1.99 -0.05 0.00 0.43 0.00 0.00 52.55 51.52 2i9s s ASP 50 Cb -0.10 -2.48 -0.00 0.00 -0.30 0.00 0.00 42.92 40.04 2i9s s ASP 50 CO 0.20 -1.20 0.43 0.68 -0.17 0.00 0.00 175.17 175.11 2i9s s VAL 51 N 3.57 0.00 -0.03 1.11 -7.23 -1.26 -3.22 120.40 113.33 2i9s s VAL 51 Ca 0.41 -1.61 -0.01 0.00 -1.81 0.00 0.00 61.98 58.96 2i9s s VAL 51 Cb -0.02 -2.52 0.03 0.00 0.56 0.00 0.00 36.38 34.43 2i9s s VAL 51 CO -0.06 0.00 0.05 -1.58 -0.31 0.00 0.00 175.10 173.20 2i9s s GLN 52 N -3.41 -0.07 -0.02 4.82 0.74 -0.40 -4.99 119.66 116.33 2i9s s GLN 52 Ca 0.30 0.32 0.01 0.00 0.05 0.00 0.00 55.36 56.04 2i9s s GLN 52 Cb 0.00 -0.42 0.01 0.00 1.10 0.00 0.00 33.01 33.70 2i9s s GLN 52 CO 0.17 -0.28 -0.04 1.03 -0.55 0.00 0.00 175.29 175.62 2i9s s ARG 53 N 1.81 0.48 0.08 1.67 3.00 -1.26 0.53 118.95 125.26 2i9s s ARG 53 Ca 0.00 -0.12 0.03 0.00 0.00 0.00 0.00 55.73 55.65 2i9s s ARG 53 Cb -0.12 -0.50 -0.03 0.00 0.00 0.00 0.00 34.95 34.29 2i9s s ARG 53 CO -0.03 0.02 -0.09 -0.06 0.00 0.00 0.00 175.30 175.14 2i9s s PHE 54 N 0.31 0.90 -0.12 -0.53 0.08 -0.72 -4.90 117.98 113.00 2i9s s PHE 54 Ca -0.03 -0.64 -0.29 0.00 0.12 0.00 0.00 56.93 56.08 2i9s s PHE 54 Cb -0.07 -0.51 -0.01 0.00 -0.57 0.00 0.00 43.02 41.86 2i9s s PHE 54 CO -0.00 -0.06 1.01 0.42 -0.10 0.00 0.00 175.22 176.49 2i9s s ILE 55 N -2.22 4.77 0.00 0.64 1.01 -1.26 -0.56 121.20 123.58 2i9s s ILE 55 Ca 0.01 2.04 0.00 0.00 0.00 0.00 0.00 60.65 62.70 2i9s s ILE 55 Cb -0.04 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 38.11 2i9s s ILE 55 CO -0.01 -0.02 0.00 1.33 0.00 0.00 0.00 174.94 176.25 2i9s n VAL 56 N 4.65 0.00 -3.59 2.92 0.24 -1.15 -4.97 118.33 116.43 2i9s n VAL 56 Ca 0.09 -0.08 -0.07 0.00 -2.04 0.00 0.00 64.34 62.24 2i9s n VAL 56 Cb 0.48 0.55 -0.02 0.00 -1.47 0.00 0.00 33.84 33.39 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 -0.54 -0.39 0.00 7.63 0.00 -0.19 -4.91 107.32 108.91 2i9s s GLY 57 Ca 0.00 0.64 -0.03 0.00 0.00 0.00 0.00 44.72 45.33 2i9s s GLY 57 CO 0.00 0.20 2.68 1.44 0.00 0.00 0.00 173.10 177.41 2i9s n SER 58 N -0.34 4.73 0.00 1.64 7.64 -1.26 -1.44 113.62 124.59 2i9s n SER 58 Ca -0.08 -2.33 0.00 0.00 1.01 0.00 0.00 58.87 57.47 2i9s n SER 58 Cb 0.62 -1.16 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 2i9s n SER 58 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2i9s n ASP 59 N 2.14 0.00 -3.77 6.43 5.75 -1.26 -2.63 116.55 123.21 2i9s n ASP 59 Ca 0.23 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.88 2i9s n ASP 59 Cb 0.67 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.67 2i9s n ASP 59 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2i9s s ARG 60 N 0.00 0.59 0.21 0.11 3.03 -0.52 0.73 118.95 123.10 2i9s s ARG 60 Ca 0.00 -0.07 -0.04 0.00 2.03 0.00 0.00 55.73 57.65 2i9s s ARG 60 Cb 0.00 0.26 -0.03 0.00 -1.03 0.00 0.00 34.95 34.15 2i9s s ARG 60 CO 0.00 -0.15 0.23 0.00 -1.13 0.00 0.00 175.30 174.25 2i9s s ALA 61 N -1.00 0.75 0.08 7.88 0.00 -0.47 -1.02 121.76 127.98 2i9s s ALA 61 Ca -0.11 -1.45 0.02 0.00 0.00 0.00 0.00 51.96 50.42 2i9s s ALA 61 Cb -0.05 1.29 -0.04 0.00 0.00 0.00 0.00 23.12 24.32 2i9s s ALA 61 CO 0.03 -0.66 -0.07 0.96 0.00 0.00 0.00 175.76 176.02 2i9s s ILE 62 N -4.12 0.62 -0.20 0.00 -4.36 0.28 -1.12 121.20 112.30 2i9s s ILE 62 Ca 0.34 -1.74 -0.03 0.00 -0.26 0.00 0.00 60.65 58.96 2i9s s ILE 62 Cb 0.05 -1.43 0.06 0.00 1.25 0.00 0.00 42.46 42.39 2i9s s ILE 62 CO 0.11 -0.78 0.04 0.72 0.24 0.00 0.00 174.94 175.27 2i9s s PHE 63 N -3.16 1.08 -0.43 1.37 -0.71 -0.64 -1.76 117.98 113.74 2i9s s PHE 63 Ca 0.07 -0.93 -0.17 0.00 -1.04 0.00 0.00 56.93 54.86 2i9s s PHE 63 Cb 0.02 -1.08 0.03 0.00 -1.21 0.00 0.00 43.02 40.79 2i9s s PHE 63 CO -0.04 -0.63 0.41 1.41 -1.34 0.00 0.00 175.22 175.03 2i9s s MET 64 N 1.84 3.05 0.05 1.99 1.75 0.19 -1.41 119.30 126.75 2i9s s MET 64 Ca -0.00 -0.92 -0.03 0.00 -1.25 0.00 0.00 55.69 53.48 2i9s s MET 64 Cb -0.17 -4.01 -0.05 0.00 2.84 0.00 0.00 34.83 33.45 2i9s s MET 64 CO -0.09 -0.88 0.25 -0.48 -0.65 0.00 0.00 175.02 173.17 2i9s s LEU 65 N 1.99 4.34 -0.24 4.11 2.34 -0.07 -1.27 118.68 129.88 2i9s s LEU 65 Ca 0.09 0.42 -0.15 0.00 0.06 0.00 0.00 54.13 54.55 2i9s s LEU 65 Cb -0.19 -2.90 -0.10 0.00 -0.56 0.00 0.00 46.19 42.45 2i9s s LEU 65 CO 0.12 0.18 -0.35 0.54 -1.06 0.00 0.00 176.35 175.78 2i9s n ARG 66 N 0.57 0.56 -0.25 1.48 5.12 -1.20 -1.10 116.66 121.84 2i9s n ARG 66 Ca -0.07 0.24 0.32 0.00 -1.93 0.00 0.00 57.85 56.41 2i9s n ARG 66 Cb 0.52 -1.46 0.67 0.00 -1.16 0.00 0.00 32.46 31.03 2i9s n ARG 66 CO 0.00 0.00 0.00 0.22 -1.93 0.00 0.00 177.63 175.92 2i9s h ASP 67 N -0.99 0.00 0.00 0.55 1.82 -1.88 -3.40 116.42 112.53 2i9s h ASP 67 Ca -0.46 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.18 2i9s h ASP 67 Cb 1.40 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.41 2i9s h ASP 67 CO -0.28 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 177.96 2i9s n GLY 68 N -1.71 2.66 0.07 -0.78 0.00 -1.24 -1.90 105.19 102.29 2i9s n GLY 68 Ca 0.24 -0.06 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 2i9s n GLY 68 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2i9s n SER 69 N 0.63 1.61 -1.40 1.61 2.88 -1.21 -4.55 113.62 113.20 2i9s n SER 69 Ca 0.00 0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 2i9s n SER 69 Cb 0.00 -0.72 0.00 0.00 -0.75 0.00 0.00 64.21 62.74 2i9s n SER 69 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2i9s n TYR 70 N -4.16 0.00 -0.03 0.66 0.18 -1.26 -3.93 117.16 108.62 2i9s n TYR 70 Ca -0.11 -0.16 0.05 0.00 1.88 0.00 0.00 57.90 59.56 2i9s n TYR 70 Cb 0.40 -0.21 -0.14 0.00 -0.38 0.00 0.00 39.34 39.01 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 1.34 2.41 0.06 -3.48 0.00 -1.26 -4.38 120.51 115.19 2i9s n ALA 71 Ca 0.00 -0.61 -0.05 0.00 0.00 0.00 0.00 53.44 52.78 2i9s n ALA 71 Cb 0.11 -0.50 -0.10 0.00 0.00 0.00 0.00 19.45 18.96 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 0.00 0.00 6.55 -1.96 -0.58 115.95 119.96 2i9s h TRP 72 Ca -0.11 0.00 -0.09 0.00 0.95 0.00 0.00 58.89 59.64 2i9s h TRP 72 Cb 1.14 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.43 2i9s h TRP 72 CO 0.00 0.89 -0.42 0.93 -1.05 0.00 0.00 178.44 178.79 2i9s h GLU 73 N 0.00 0.00 -0.87 0.49 5.08 -1.90 -1.46 114.58 115.92 2i9s h GLU 73 Ca -0.06 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2i9s h GLU 73 Cb 1.73 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.94 2i9s h GLU 73 CO 0.11 0.42 0.43 0.82 -1.00 0.00 0.00 179.01 179.79 2i9s h ILE 74 N 0.00 1.26 -0.70 3.13 2.04 -1.53 -1.53 117.51 120.18 2i9s h ILE 74 Ca -0.00 -0.72 0.03 0.00 1.00 0.00 0.00 64.86 65.17 2i9s h ILE 74 Cb 0.88 0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 2i9s h ILE 74 CO 0.05 0.31 0.44 0.50 0.00 0.00 0.00 178.15 179.45 2i9s h LYS 75 N 1.23 0.83 -0.51 2.37 3.64 -0.12 -0.39 116.57 123.61 2i9s h LYS 75 Ca 0.30 -0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.68 2i9s h LYS 75 Cb 0.10 -0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 31.68 2i9s h LYS 75 CO -0.04 0.55 0.23 0.22 -2.27 0.00 0.00 179.45 178.14 2i9s h ASP 76 N 0.85 0.31 -0.96 4.20 3.58 -0.72 -2.14 116.42 121.54 2i9s h ASP 76 Ca 0.28 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.78 2i9s h ASP 76 Cb 0.03 -0.01 -0.05 0.00 1.72 0.00 0.00 39.33 41.02 2i9s h ASP 76 CO -0.11 0.21 0.61 -0.26 -2.88 0.00 0.00 179.24 176.81 2i9s h PHE 77 N 0.45 1.23 0.24 0.28 0.04 -0.14 0.14 116.94 119.19 2i9s h PHE 77 Ca 0.24 0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.03 2i9s h PHE 77 Cb 0.19 -0.41 -0.04 0.00 2.20 0.00 0.00 35.95 37.89 2i9s h PHE 77 CO -0.12 0.79 -0.52 -0.07 -0.60 0.00 0.00 178.31 177.79 2i9s h LEU 78 N 1.31 -1.51 0.00 1.54 3.38 -0.79 0.78 115.31 120.02 2i9s h LEU 78 Ca 0.35 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.47 2i9s h LEU 78 Cb -0.11 0.54 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2i9s h LEU 78 CO -0.07 -0.59 0.00 0.52 0.09 0.00 0.00 178.44 178.39 2i9s n VAL 79 N -5.51 0.19 0.79 1.22 0.31 -0.85 -0.20 118.33 114.28 2i9s n VAL 79 Ca -0.10 0.05 0.11 0.00 -0.01 0.00 0.00 64.34 64.40 2i9s n VAL 79 Cb 0.43 -0.60 0.10 0.00 -0.91 0.00 0.00 33.84 32.86 2i9s n VAL 79 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2i9s n SER 80 N -1.46 0.64 -0.08 4.52 2.88 0.46 -4.40 113.62 116.17 2i9s n SER 80 Ca 0.07 -0.31 -0.11 0.00 -1.33 0.00 0.00 58.87 57.20 2i9s n SER 80 Cb 0.29 0.56 -0.08 0.00 -0.75 0.00 0.00 64.21 64.23 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 -1.74 0.55 -1.82 -1.46 -0.06 0.26 -5.02 117.38 108.09 2i9s n GLN 81 Ca 0.04 0.09 0.00 0.00 -2.00 0.00 0.00 57.00 55.12 2i9s n GLN 81 Cb 0.38 -1.33 0.00 0.00 -4.06 0.00 0.00 30.24 25.23 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 -2.94 0.00 -4.03 1.69 2.03 0.72 -5.07 116.55 108.93 2i9s n ASP 82 Ca -0.29 -0.95 -0.37 0.00 0.52 0.00 0.00 54.79 53.70 2i9s n ASP 82 Cb 0.82 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 41.18 2i9s n ASP 82 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2i9s n ARG 83 N 0.00 3.10 -1.55 -0.67 0.63 -1.26 -3.98 116.66 112.93 2i9s n ARG 83 Ca 0.00 -4.52 -0.32 0.00 -0.92 0.00 0.00 57.85 52.09 2i9s n ARG 83 Cb 0.00 -2.43 0.06 0.00 0.45 0.00 0.00 32.46 30.54 2i9s n ARG 83 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2i9s n ALA 85 N -2.92 0.41 -3.71 0.00 0.00 0.19 -4.81 120.51 109.67 2i9s n ALA 85 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.33 2i9s n ALA 85 Cb 0.53 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.81 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 0.63 -0.22 0.00 2.12 -0.58 -4.95 118.70 114.71 2i9s s GLU 86 Ca 0.00 0.03 0.01 0.00 0.36 0.00 0.00 54.97 55.37 2i9s s GLU 86 Cb 0.00 -0.84 0.05 0.00 0.26 0.00 0.00 34.13 33.60 2i9s s GLU 86 CO 0.00 -0.19 -0.10 0.14 -0.54 0.00 0.00 175.26 174.56 2i9s s VAL 87 N 1.42 1.77 -0.18 3.70 -7.23 -1.26 0.18 120.40 118.80 2i9s s VAL 87 Ca -0.03 -1.19 -0.05 0.00 -1.81 0.00 0.00 61.98 58.90 2i9s s VAL 87 Cb -0.13 -1.87 -0.03 0.00 0.56 0.00 0.00 36.38 34.91 2i9s s VAL 87 CO -0.03 0.10 0.00 0.42 -0.31 0.00 0.00 175.10 175.29 2i9s s THR 88 N 1.32 4.17 0.24 5.32 -4.23 -0.03 -5.00 115.64 117.43 2i9s s THR 88 Ca -0.03 -0.25 0.08 0.00 -1.18 0.00 0.00 61.69 60.31 2i9s s THR 88 Cb -0.17 -2.86 -0.04 0.00 1.34 0.00 0.00 72.50 70.76 2i9s s THR 88 CO -0.07 0.46 0.08 -0.76 -0.54 0.00 0.00 174.62 173.79 2i9s s LEU 89 N 0.57 3.49 0.39 4.79 1.43 -1.26 -1.05 118.68 127.03 2i9s s LEU 89 Ca -0.00 -0.41 -0.24 0.00 -1.03 0.00 0.00 54.13 52.45 2i9s s LEU 89 Cb -0.14 -2.05 -0.10 0.00 0.03 0.00 0.00 46.19 43.94 2i9s s LEU 89 CO 0.02 0.01 0.98 -0.70 0.23 0.00 0.00 176.35 176.89 2i9s s GLU 90 N -3.56 4.31 0.00 1.70 -6.30 -0.54 -4.82 118.70 109.50 2i9s s GLU 90 Ca 0.31 1.32 0.00 0.00 -2.50 0.00 0.00 54.97 54.10 2i9s s GLU 90 Cb -0.08 -2.49 0.00 0.00 0.00 0.00 0.00 34.13 31.56 2i9s s GLU 90 CO 0.22 0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.93 2i9s n GLY 91 N 0.08 1.88 3.60 -1.50 0.00 -1.26 -4.73 105.19 103.25 2i9s n GLY 91 Ca 0.05 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 2i9s n GLY 91 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2i9s n GLN 92 N 0.42 1.98 -3.13 1.61 -0.06 -1.26 -1.22 117.38 115.71 2i9s n GLN 92 Ca 0.00 0.56 -0.03 0.00 -2.00 0.00 0.00 57.00 55.53 2i9s n GLN 92 Cb 0.00 -3.18 0.01 0.00 -4.06 0.00 0.00 30.24 23.01 2i9s n GLN 92 CO 0.00 0.00 0.00 -0.12 -0.20 0.00 0.00 177.06 176.74 2i9s n MET 93 N 8.63 -1.40 -0.05 3.69 1.56 -1.26 -4.74 117.12 123.54 2i9s n MET 93 Ca 0.30 1.39 -0.13 0.00 -0.27 0.00 0.00 57.70 58.99 2i9s n MET 93 Cb 0.43 -5.50 -0.01 0.00 2.15 0.00 0.00 33.22 30.29 2i9s n MET 93 CO 0.00 0.00 0.00 0.10 -0.73 0.00 0.00 175.97 175.34 2i9s h TYR 94 N 0.27 0.97 -4.77 1.12 -0.00 -1.45 -3.29 116.97 109.82 2i9s h TYR 94 Ca -0.10 -0.34 -0.16 0.00 -0.00 0.00 0.00 58.73 58.14 2i9s h TYR 94 Cb 1.06 -0.18 0.00 0.00 -0.00 0.00 0.00 36.73 37.61 2i9s h TYR 94 CO 0.21 1.14 -0.03 -0.35 -0.00 0.00 0.00 178.16 179.12 2i9s n PRO 95 N -3.99 0.95 0.00 0.10 -0.04 -1.26 -1.42 135.00 129.33 2i9s n PRO 95 Ca -0.04 -1.00 0.00 0.00 -0.04 0.00 0.00 63.50 62.42 2i9s n PRO 95 Cb 0.61 -0.04 0.00 0.00 -0.04 0.00 0.00 33.50 34.04 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 2.81 0.82 0.00 0.55 0.00 -1.26 -4.71 105.19 103.40 2i9s n GLY 96 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2i9s n GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49