#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 0.14 0.00 1.61 -0.02 -1.26 -3.80 135.00 131.67 2i9s n PRO 2 Ca 0.00 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 2i9s n PRO 2 Cb 0.00 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 2i9s n PRO 2 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2i9s n GLY 3 N -0.18 0.00 3.88 -1.23 0.00 -1.26 -4.83 105.19 101.57 2i9s n GLY 3 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.69 3.43 0.19 1.61 2.20 -1.25 -4.85 119.74 119.38 2i9s s LYS 4 Ca 0.00 -0.14 -0.31 0.00 -0.36 0.00 0.00 55.97 55.15 2i9s s LYS 4 Cb 0.00 -3.18 -0.11 0.00 -1.51 0.00 0.00 37.83 33.03 2i9s s LYS 4 CO 0.00 0.78 1.61 -2.14 -0.36 0.00 0.00 175.35 175.23 2i9s s PRO 5 N -1.05 4.18 -0.02 4.03 0.02 -1.25 -0.31 135.00 140.60 2i9s s PRO 5 Ca 0.15 2.45 0.14 0.00 0.02 0.00 0.00 61.00 63.76 2i9s s PRO 5 Cb -0.12 -3.12 0.42 0.00 0.02 0.00 0.00 34.50 31.70 2i9s s PRO 5 CO 0.04 -0.64 1.35 -1.91 -0.33 0.00 0.00 177.00 175.51 2i9s n GLU 6 N 3.75 2.91 -3.23 5.54 2.13 -1.26 -4.67 120.64 125.81 2i9s n GLU 6 Ca 0.14 -2.30 -0.15 0.00 0.66 0.00 0.00 57.16 55.51 2i9s n GLU 6 Cb 0.37 -1.42 0.08 0.00 0.27 0.00 0.00 31.44 30.74 2i9s n GLU 6 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2i9s n SER 7 N 0.70 -3.45 -3.69 4.31 7.64 -1.26 -1.33 113.62 116.55 2i9s n SER 7 Ca 0.16 -0.59 -0.27 0.00 1.01 0.00 0.00 58.87 59.18 2i9s n SER 7 Cb 0.54 -4.74 0.03 0.00 -1.01 0.00 0.00 64.21 59.03 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 -3.59 -5.46 -3.48 0.44 0.13 -0.53 -1.23 119.36 105.64 2i9s n ILE 8 Ca -0.20 -0.84 -0.19 0.00 -1.10 0.00 0.00 62.75 60.43 2i9s n ILE 8 Cb 0.64 -4.17 0.02 0.00 -0.84 0.00 0.00 39.64 35.29 2i9s n ILE 8 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2i9s n LEU 9 N -4.15 -4.06 -3.51 9.51 -0.00 -1.20 -0.47 117.00 113.13 2i9s n LEU 9 Ca -0.17 -0.69 -0.17 0.00 -0.00 0.00 0.00 56.01 54.98 2i9s n LEU 9 Cb 0.63 -2.57 0.01 0.00 -0.00 0.00 0.00 43.42 41.49 2i9s n LEU 9 CO 0.68 -0.06 0.00 2.29 -0.00 0.00 0.00 177.39 180.30 2i9s n LYS 10 N -3.02 -1.38 -2.34 1.47 2.85 -0.44 -1.50 118.16 113.79 2i9s n LYS 10 Ca -0.11 0.96 -0.15 0.00 -1.05 0.00 0.00 58.31 57.96 2i9s n LYS 10 Cb 0.59 -3.87 -0.00 0.00 -0.65 0.00 0.00 35.03 31.09 2i9s n LYS 10 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 2i9s n MET 11 N -2.63 -1.46 -2.54 -1.58 2.81 -0.37 -3.21 117.12 108.15 2i9s n MET 11 Ca -0.16 0.72 -0.03 0.00 -1.81 0.00 0.00 57.70 56.41 2i9s n MET 11 Cb 0.60 -5.05 0.01 0.00 -0.71 0.00 0.00 33.22 28.08 2i9s n MET 11 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 2i9s n THR 12 N -4.03 -0.36 -3.28 2.03 -1.04 0.38 -5.05 114.28 102.93 2i9s n THR 12 Ca -0.17 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.77 2i9s n THR 12 Cb 0.63 -1.65 -0.05 0.00 -1.82 0.00 0.00 70.33 67.44 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 -4.98 0.49 0.00 -2.82 1.02 -0.56 -4.04 119.74 108.84 2i9s s LYS 13 Ca 0.07 0.06 0.00 0.00 0.02 0.00 0.00 55.97 56.12 2i9s s LYS 13 Cb -0.03 -0.23 0.00 0.00 -0.52 0.00 0.00 37.83 37.05 2i9s s LYS 13 CO 0.08 -1.07 0.60 1.17 -0.92 0.00 0.00 175.35 175.22 2i9s n LYS 14 N 5.18 0.00 -3.68 1.68 4.81 -1.25 -4.67 118.16 120.22 2i9s n LYS 14 Ca 0.03 -0.46 -0.22 0.00 -0.87 0.00 0.00 58.31 56.79 2i9s n LYS 14 Cb 0.50 -0.28 0.03 0.00 0.02 0.00 0.00 35.03 35.30 2i9s n LYS 14 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2i9s n GLY 15 N 0.00 -0.41 3.06 3.14 0.00 -1.21 -5.00 105.19 104.77 2i9s n GLY 15 Ca 0.00 0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 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 -5.90 1.56 0.16 1.61 2.47 -1.25 -4.79 119.74 113.59 2i9s s LYS 16 Ca 0.08 -0.46 -0.30 0.00 -1.56 0.00 0.00 55.97 53.72 2i9s s LYS 16 Cb -0.02 -1.34 -0.08 0.00 -1.46 0.00 0.00 37.83 34.93 2i9s s LYS 16 CO 0.82 0.13 1.24 -0.08 0.16 0.00 0.00 175.35 177.61 2i9s s THR 17 N 0.32 3.55 -0.03 3.43 -1.32 -1.14 -2.69 115.64 117.76 2i9s s THR 17 Ca -0.08 1.24 0.02 0.00 -1.21 0.00 0.00 61.69 61.66 2i9s s THR 17 Cb -0.13 -3.79 0.01 0.00 -1.51 0.00 0.00 72.50 67.08 2i9s s THR 17 CO 0.02 0.17 -0.06 -0.22 -2.21 0.00 0.00 174.62 172.32 2i9s s LEU 18 N 0.13 1.63 -0.70 9.08 2.96 0.11 -4.97 118.68 126.92 2i9s s LEU 18 Ca 0.56 -0.14 -0.25 0.00 -0.22 0.00 0.00 54.13 54.08 2i9s s LEU 18 Cb -0.33 -0.44 0.05 0.00 0.50 0.00 0.00 46.19 45.96 2i9s s LEU 18 CO 0.35 0.01 1.14 -0.04 -1.32 0.00 0.00 176.35 176.49 2i9s s MET 19 N 0.45 3.17 -0.25 1.98 -1.94 -1.26 0.14 119.30 121.59 2i9s s MET 19 Ca -0.06 -0.48 -0.23 0.00 -1.71 0.00 0.00 55.69 53.21 2i9s s MET 19 Cb -0.10 -4.19 -0.01 0.00 2.01 0.00 0.00 34.83 32.54 2i9s s MET 19 CO 0.00 -1.98 0.77 1.41 -0.01 0.00 0.00 175.02 175.20 2i9s s MET 20 N 4.98 4.16 -0.23 2.03 1.75 -0.24 -4.07 119.30 127.67 2i9s s MET 20 Ca 0.30 0.82 -0.12 0.00 -1.25 0.00 0.00 55.69 55.43 2i9s s MET 20 Cb -0.12 -3.65 -0.05 0.00 2.84 0.00 0.00 34.83 33.86 2i9s s MET 20 CO 0.13 -0.49 0.25 0.12 -0.65 0.00 0.00 175.02 174.38 2i9s s PHE 21 N 2.74 3.33 -0.08 4.11 2.19 -0.76 -1.37 117.98 128.13 2i9s s PHE 21 Ca 0.32 0.36 0.01 0.00 0.33 0.00 0.00 56.93 57.95 2i9s s PHE 21 Cb -0.15 -2.37 0.02 0.00 -1.31 0.00 0.00 43.02 39.20 2i9s s PHE 21 CO 0.08 0.02 -0.10 0.54 1.83 0.00 0.00 175.22 177.58 2i9s s VAL 22 N 1.23 1.06 -0.18 3.12 0.11 0.15 -0.26 120.40 125.63 2i9s s VAL 22 Ca 0.12 -0.38 -0.29 0.00 -2.93 0.00 0.00 61.98 58.49 2i9s s VAL 22 Cb -0.14 -1.01 -0.01 0.00 -1.53 0.00 0.00 36.38 33.69 2i9s s VAL 22 CO 0.06 0.35 1.17 -0.89 -3.33 0.00 0.00 175.10 172.47 2i9s s THR 23 N 1.10 4.43 -0.17 5.04 2.01 0.10 -1.01 115.64 127.15 2i9s s THR 23 Ca -0.06 1.73 -0.01 0.00 0.31 0.00 0.00 61.69 63.66 2i9s s THR 23 Cb -0.14 -4.12 -0.01 0.00 0.01 0.00 0.00 72.50 68.24 2i9s s THR 23 CO -0.01 -0.14 -0.12 0.54 -0.69 0.00 0.00 174.62 174.20 2i9s s VAL 24 N 3.24 2.97 -0.01 3.82 0.11 -0.68 -1.48 120.40 128.37 2i9s s VAL 24 Ca 0.51 -0.66 0.02 0.00 -2.93 0.00 0.00 61.98 58.92 2i9s s VAL 24 Cb -0.20 -2.28 0.03 0.00 -1.53 0.00 0.00 36.38 32.40 2i9s s VAL 24 CO 0.12 0.49 0.77 -0.24 -3.33 0.00 0.00 175.10 172.92 2i9s n SER 25 N 4.12 0.65 -0.13 3.54 2.88 -0.59 -4.06 113.62 120.03 2i9s n SER 25 Ca -0.19 -1.62 -0.06 0.00 -1.33 0.00 0.00 58.87 55.67 2i9s n SER 25 Cb 0.52 -0.08 0.11 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 0.00 0.93 -7.75 0.46 0.00 -1.84 -3.36 103.07 91.51 2i9s h GLY 26 Ca 0.00 -0.68 -0.68 0.00 0.00 0.00 0.00 47.33 45.97 2i9s h GLY 26 CO 0.00 0.63 -0.71 0.21 0.00 0.00 0.00 176.54 176.66 2i9s s ASN 27 N -6.65 4.78 0.00 0.19 3.84 -1.26 -4.99 114.94 110.85 2i9s s ASN 27 Ca -0.10 -1.58 0.00 0.00 0.21 0.00 0.00 52.86 51.39 2i9s s ASN 27 Cb 0.14 -1.66 0.00 0.00 -0.55 0.00 0.00 41.25 39.18 2i9s s ASN 27 CO 0.83 -0.30 0.67 -0.81 -2.79 0.00 0.00 177.10 174.70 2i9s n PRO 28 N 4.49 0.65 -2.11 0.43 -0.04 -1.26 -4.43 135.00 132.73 2i9s n PRO 28 Ca -0.09 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.35 2i9s n PRO 28 Cb 0.42 -1.18 -0.01 0.00 -0.04 0.00 0.00 33.50 32.70 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 0.71 0.00 1.26 0.52 -2.24 -1.26 -4.78 114.28 108.49 2i9s n THR 29 Ca 0.00 -0.26 0.14 0.00 -2.27 0.00 0.00 64.05 61.66 2i9s n THR 29 Cb 0.32 0.14 0.63 0.00 -2.10 0.00 0.00 70.33 69.32 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 -0.07 0.34 -0.14 -0.78 2.13 -1.26 -3.44 120.64 117.41 2i9s n GLU 30 Ca 0.01 -0.07 -0.08 0.00 0.66 0.00 0.00 57.16 57.68 2i9s n GLU 30 Cb 0.07 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.29 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 0.16 0.57 -0.02 5.31 3.11 -1.97 0.49 116.57 124.22 2i9s h LYS 31 Ca 0.00 -0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 57.78 2i9s h LYS 31 Cb 0.39 -0.12 -0.00 0.00 -1.00 0.00 0.00 32.23 31.50 2i9s h LYS 31 CO 0.00 0.42 -0.01 1.49 -2.81 0.00 0.00 179.45 178.55 2i9s h GLU 32 N 0.55 0.05 -0.73 1.90 4.57 -1.79 -1.64 114.58 117.49 2i9s h GLU 32 Ca 0.15 -0.02 0.13 0.00 -1.18 0.00 0.00 59.36 58.45 2i9s h GLU 32 Cb 0.00 -0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 28.45 2i9s h GLU 32 CO -0.03 0.41 -0.27 1.15 -1.18 0.00 0.00 179.01 179.09 2i9s h THR 33 N -0.32 0.18 0.09 0.32 2.02 -1.64 -0.72 112.91 112.83 2i9s h THR 33 Ca 0.01 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 2i9s h THR 33 Cb 0.39 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 2i9s h THR 33 CO 0.00 0.00 -0.04 1.05 0.37 0.00 0.00 175.52 176.90 2i9s h GLU 34 N -0.07 -0.12 -0.33 6.66 4.11 0.25 0.55 114.58 125.63 2i9s h GLU 34 Ca 0.31 0.01 0.02 0.00 0.07 0.00 0.00 59.36 59.77 2i9s h GLU 34 Cb 0.56 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 2i9s h GLU 34 CO -0.77 0.25 0.19 1.49 0.07 0.00 0.00 179.01 180.24 2i9s h GLU 35 N -0.52 0.37 -0.36 1.06 4.57 -1.17 -1.39 114.58 117.14 2i9s h GLU 35 Ca -0.01 -0.02 -0.15 0.00 -1.18 0.00 0.00 59.36 57.99 2i9s h GLU 35 Cb 0.43 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 2i9s h GLU 35 CO 0.02 0.25 -0.37 0.82 -1.18 0.00 0.00 179.01 178.55 2i9s h ILE 36 N 0.38 1.28 -0.31 2.32 2.04 -1.14 -1.69 117.51 120.39 2i9s h ILE 36 Ca 0.13 -1.54 -0.14 0.00 1.00 0.00 0.00 64.86 64.30 2i9s h ILE 36 Cb 0.01 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 2i9s h ILE 36 CO -0.07 0.51 -0.39 0.71 0.00 0.00 0.00 178.15 178.91 2i9s h THR 37 N 0.69 1.29 0.61 -0.27 1.35 0.56 0.65 112.91 117.79 2i9s h THR 37 Ca 0.06 -1.57 -0.03 0.00 -0.55 0.00 0.00 66.41 64.32 2i9s h THR 37 Cb 0.96 1.47 0.01 0.00 -1.73 0.00 0.00 68.15 68.86 2i9s h THR 37 CO 0.09 0.51 -0.29 0.77 -0.25 0.00 0.00 175.52 176.35 2i9s h SER 38 N 0.60 -0.70 -0.42 5.36 4.64 -1.28 -0.39 113.55 121.36 2i9s h SER 38 Ca 0.05 -0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 61.28 2i9s h SER 38 Cb 0.94 0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 2i9s h SER 38 CO 0.09 -0.35 0.01 0.25 -0.87 0.00 0.00 176.83 175.95 2i9s h LEU 39 N -1.06 0.73 0.05 5.97 5.85 -1.24 -0.33 115.31 125.28 2i9s h LEU 39 Ca -0.08 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.33 2i9s h LEU 39 Cb 0.68 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.52 2i9s h LEU 39 CO 0.14 0.85 -0.02 -0.50 -0.34 0.00 0.00 178.44 178.57 2i9s h TRP 40 N 0.58 -0.06 0.00 1.25 6.55 0.25 -1.42 115.95 123.11 2i9s h TRP 40 Ca 0.12 -0.00 -0.00 0.00 0.95 0.00 0.00 58.89 59.96 2i9s h TRP 40 Cb 0.47 0.02 -0.00 0.00 -0.86 0.00 0.00 29.16 28.79 2i9s h TRP 40 CO 0.04 -0.04 -0.00 -0.56 -1.05 0.00 0.00 178.44 176.83 2i9s h GLN 41 N -0.10 0.00 0.03 0.49 -0.00 -1.18 0.42 115.11 114.77 2i9s h GLN 41 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.64 2i9s h GLN 41 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.53 2i9s h GLN 41 CO 0.01 0.00 -0.02 0.78 -0.00 0.00 0.00 178.83 179.61 2i9s h GLY 42 N 1.79 -0.05 2.00 0.06 0.00 -1.07 -1.05 103.07 104.75 2i9s h GLY 42 Ca -0.00 0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 2i9s h GLY 42 CO 0.00 -0.02 -0.26 1.48 0.00 0.00 0.00 176.54 177.74 2i9s h SER 43 N -0.27 0.00 -0.01 0.19 4.64 0.07 -0.37 113.55 117.80 2i9s h SER 43 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 2i9s h SER 43 Cb 0.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 2i9s h SER 43 CO 0.01 0.26 -0.04 -0.07 -0.87 0.00 0.00 176.83 176.12 2i9s h LEU 44 N 0.00 0.13 0.06 5.97 3.38 0.07 0.14 115.31 125.06 2i9s h LEU 44 Ca -0.00 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 2i9s h LEU 44 Cb 0.68 -0.03 0.02 0.00 0.09 0.00 0.00 40.66 41.42 2i9s h LEU 44 CO 0.03 0.20 -0.71 -0.26 0.09 0.00 0.00 178.44 177.79 2i9s h PHE 45 N 0.14 0.61 -0.05 1.13 0.04 -0.04 -3.06 116.94 115.72 2i9s h PHE 45 Ca 0.03 -0.37 -0.04 0.00 2.80 0.00 0.00 57.97 60.39 2i9s h PHE 45 Cb 0.17 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 2i9s h PHE 45 CO 0.00 1.22 -0.15 -0.91 -0.60 0.00 0.00 178.31 177.87 2i9s h ASN 46 N -0.18 0.07 -0.10 2.17 2.35 -0.19 0.60 115.58 120.30 2i9s h ASN 46 Ca -0.11 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 2i9s h ASN 46 Cb 1.46 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.82 2i9s h ASN 46 CO 0.14 0.23 0.00 0.00 -1.65 0.00 0.00 177.43 176.15 2i9s n ALA 47 N -2.50 2.55 -3.41 -0.83 0.00 0.41 -4.97 120.51 111.76 2i9s n ALA 47 Ca -0.02 -0.47 -0.19 0.00 0.00 0.00 0.00 53.44 52.76 2i9s n ALA 47 Cb 0.24 -1.14 0.04 0.00 0.00 0.00 0.00 19.45 18.60 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 0.19 -6.26 -4.92 0.00 2.85 0.20 -5.02 115.26 102.29 2i9s n ASN 48 Ca 0.17 -0.73 -0.29 0.00 -0.11 0.00 0.00 54.58 53.62 2i9s n ASN 48 Cb 0.32 -4.34 -0.04 0.00 1.24 0.00 0.00 39.78 36.97 2i9s n ASN 48 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 2i9s s TYR 49 N -3.33 3.50 -1.16 1.20 2.02 -1.15 -5.02 117.35 113.40 2i9s s TYR 49 Ca 0.36 0.29 -0.16 0.00 -0.37 0.00 0.00 57.07 57.19 2i9s s TYR 49 Cb -0.09 -1.80 0.14 0.00 -0.40 0.00 0.00 41.96 39.81 2i9s s TYR 49 CO 0.80 0.50 1.44 0.34 -1.57 0.00 0.00 175.55 177.05 2i9s s ASP 50 N -2.81 6.91 0.17 2.29 2.15 -1.26 -4.90 116.67 119.23 2i9s s ASP 50 Ca 0.37 -2.63 -0.09 0.00 0.43 0.00 0.00 52.55 50.63 2i9s s ASP 50 Cb -0.12 -2.44 -0.01 0.00 -0.30 0.00 0.00 42.92 40.05 2i9s s ASP 50 CO 0.28 -0.93 0.30 0.68 -0.17 0.00 0.00 175.17 175.32 2i9s s VAL 51 N 2.48 0.06 -0.08 1.11 -7.23 -1.26 -3.44 120.40 112.04 2i9s s VAL 51 Ca 0.43 -1.39 0.00 0.00 -1.81 0.00 0.00 61.98 59.21 2i9s s VAL 51 Cb -0.02 -1.87 0.02 0.00 0.56 0.00 0.00 36.38 35.07 2i9s s VAL 51 CO -0.01 -0.27 -0.07 -1.10 -0.31 0.00 0.00 175.10 173.35 2i9s s GLN 52 N -3.97 1.28 -0.02 4.82 1.11 -0.43 -4.96 119.66 117.48 2i9s s GLN 52 Ca 0.18 -0.21 0.06 0.00 0.01 0.00 0.00 55.36 55.40 2i9s s GLN 52 Cb 0.03 -1.29 -0.01 0.00 -1.01 0.00 0.00 33.01 30.72 2i9s s GLN 52 CO 0.01 -0.16 -0.20 1.03 0.01 0.00 0.00 175.29 175.98 2i9s s ARG 53 N 1.33 1.70 0.06 2.91 3.00 -1.26 0.52 118.95 127.20 2i9s s ARG 53 Ca -0.03 -0.71 0.03 0.00 0.00 0.00 0.00 55.73 55.02 2i9s s ARG 53 Cb -0.14 -1.60 -0.03 0.00 0.00 0.00 0.00 34.95 33.19 2i9s s ARG 53 CO -0.03 0.40 -0.09 0.12 0.00 0.00 0.00 175.30 175.70 2i9s s PHE 54 N -0.37 0.81 -0.17 -0.53 5.36 -0.80 -4.94 117.98 117.34 2i9s s PHE 54 Ca 0.05 -0.55 -0.26 0.00 -0.96 0.00 0.00 56.93 55.22 2i9s s PHE 54 Cb -0.09 -0.47 -0.01 0.00 -0.34 0.00 0.00 43.02 42.11 2i9s s PHE 54 CO -0.00 -0.06 0.86 0.42 -1.46 0.00 0.00 175.22 174.98 2i9s s ILE 55 N -1.67 4.85 -0.23 3.12 1.01 -1.26 -0.72 121.20 126.31 2i9s s ILE 55 Ca -0.05 1.70 0.04 0.00 0.00 0.00 0.00 60.65 62.33 2i9s s ILE 55 Cb -0.08 -4.17 -0.16 0.00 0.01 0.00 0.00 42.46 38.06 2i9s s ILE 55 CO 0.00 0.00 -0.18 0.52 0.00 0.00 0.00 174.94 175.29 2i9s n VAL 56 N 4.79 1.35 -2.59 2.92 0.31 -0.94 -4.99 118.33 119.18 2i9s n VAL 56 Ca 0.05 -0.55 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 2i9s n VAL 56 Cb 0.48 -1.24 0.00 0.00 -0.91 0.00 0.00 33.84 32.17 2i9s n VAL 56 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2i9s n GLY 57 N 2.31 -0.16 3.67 2.92 0.00 -0.42 -4.97 105.19 108.54 2i9s n GLY 57 Ca -0.41 -1.42 -0.51 0.00 0.00 0.00 0.00 46.02 43.69 2i9s n GLY 57 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2i9s n SER 58 N 1.00 3.07 -0.20 1.61 7.64 -1.26 -0.95 113.62 124.53 2i9s n SER 58 Ca 0.00 0.94 -0.03 0.00 1.01 0.00 0.00 58.87 60.80 2i9s n SER 58 Cb 0.00 -1.30 -0.01 0.00 -1.01 0.00 0.00 64.21 61.89 2i9s n SER 58 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2i9s n ASP 59 N 6.66 -3.90 -3.70 6.43 -0.08 -1.22 -4.83 116.55 115.91 2i9s n ASP 59 Ca 0.25 0.06 -0.13 0.00 -1.51 0.00 0.00 54.79 53.47 2i9s n ASP 59 Cb 0.25 -1.63 -0.13 0.00 2.34 0.00 0.00 41.12 41.94 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 -1.39 0.18 0.11 -0.67 6.06 -0.12 -1.69 118.95 121.42 2i9s s ARG 60 Ca 0.00 0.61 -0.02 0.00 -2.50 0.00 0.00 55.73 53.82 2i9s s ARG 60 Cb 0.00 -0.09 -0.04 0.00 0.06 0.00 0.00 34.95 34.88 2i9s s ARG 60 CO 0.00 -0.21 0.06 0.00 -2.50 0.00 0.00 175.30 172.64 2i9s s ALA 61 N 1.74 0.63 0.06 6.12 0.00 -0.18 -1.30 121.76 128.82 2i9s s ALA 61 Ca -0.05 -1.30 0.01 0.00 0.00 0.00 0.00 51.96 50.62 2i9s s ALA 61 Cb -0.11 0.67 -0.03 0.00 0.00 0.00 0.00 23.12 23.65 2i9s s ALA 61 CO -0.08 -0.47 -0.05 0.96 0.00 0.00 0.00 175.76 176.11 2i9s s ILE 62 N -3.99 0.45 -0.32 0.00 -4.36 0.11 -0.67 121.20 112.41 2i9s s ILE 62 Ca 0.18 -1.56 0.02 0.00 -0.26 0.00 0.00 60.65 59.02 2i9s s ILE 62 Cb 0.07 -1.19 0.10 0.00 1.25 0.00 0.00 42.46 42.69 2i9s s ILE 62 CO -0.02 -0.74 0.06 -0.36 0.24 0.00 0.00 174.94 174.12 2i9s s PHE 63 N -2.87 2.70 -0.69 1.37 0.40 -0.47 -1.90 117.98 116.52 2i9s s PHE 63 Ca 0.02 -2.31 -0.25 0.00 -0.60 0.00 0.00 56.93 53.79 2i9s s PHE 63 Cb 0.00 -2.25 0.05 0.00 0.51 0.00 0.00 43.02 41.34 2i9s s PHE 63 CO -0.04 -0.90 1.12 1.41 0.70 0.00 0.00 175.22 177.51 2i9s s MET 64 N 1.27 3.16 0.08 0.44 1.75 0.18 -1.07 119.30 125.12 2i9s s MET 64 Ca 0.09 -0.51 -0.04 0.00 -1.25 0.00 0.00 55.69 53.98 2i9s s MET 64 Cb -0.18 -4.19 -0.05 0.00 2.84 0.00 0.00 34.83 33.24 2i9s s MET 64 CO -0.16 -1.96 0.30 -0.48 -0.65 0.00 0.00 175.02 172.07 2i9s s LEU 65 N 4.88 4.32 -0.10 4.11 2.34 0.12 -1.32 118.68 133.03 2i9s s LEU 65 Ca 0.29 0.50 -0.09 0.00 0.06 0.00 0.00 54.13 54.89 2i9s s LEU 65 Cb -0.12 -3.02 -0.05 0.00 -0.56 0.00 0.00 46.19 42.43 2i9s s LEU 65 CO 0.13 0.15 -0.19 -1.14 -1.06 0.00 0.00 176.35 174.23 2i9s n ARG 66 N 0.46 0.31 0.00 1.48 0.63 -1.22 0.09 116.66 118.41 2i9s n ARG 66 Ca -0.06 0.13 0.00 0.00 -0.92 0.00 0.00 57.85 57.00 2i9s n ARG 66 Cb 0.52 -1.03 0.00 0.00 0.45 0.00 0.00 32.46 32.40 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 -3.85 0.00 0.00 6.15 2.03 -1.26 -2.90 116.55 116.72 2i9s n ASP 67 Ca -0.19 0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.47 2i9s n ASP 67 Cb 0.50 -0.35 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 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 -1.34 2.42 0.00 0.27 0.00 -1.10 -3.33 105.19 102.12 2i9s n GLY 68 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 46.02 46.01 2i9s n GLY 68 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2i9s h SER 69 N 0.00 0.00 -1.22 1.61 4.64 -1.86 -3.42 113.55 113.30 2i9s h SER 69 Ca 0.00 0.00 0.36 0.00 -0.47 0.00 0.00 61.79 61.68 2i9s h SER 69 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 2i9s h SER 69 CO 0.00 0.03 0.95 0.10 -0.87 0.00 0.00 176.83 177.04 2i9s h TYR 70 N -0.05 0.00 -0.43 4.77 -0.00 -1.88 -3.28 116.97 116.10 2i9s h TYR 70 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.68 2i9s h TYR 70 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 36.71 2i9s h TYR 70 CO -0.00 0.00 0.04 0.00 -0.00 0.00 0.00 178.16 178.20 2i9s h ALA 71 N 1.25 1.27 0.00 0.10 0.00 -1.93 -2.63 119.26 117.31 2i9s h ALA 71 Ca 0.58 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2i9s h ALA 71 Cb 2.48 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 20.09 2i9s h ALA 71 CO -0.01 0.50 -0.33 -1.49 0.00 0.00 0.00 179.25 177.92 2i9s h TRP 72 N 0.64 0.00 -0.04 0.00 6.55 -1.92 0.11 115.95 121.29 2i9s h TRP 72 Ca 0.14 0.00 -0.20 0.00 0.95 0.00 0.00 58.89 59.78 2i9s h TRP 72 Cb 0.34 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.64 2i9s h TRP 72 CO 0.02 0.00 -0.82 0.93 -1.05 0.00 0.00 178.44 177.52 2i9s h GLU 73 N 0.00 0.39 -0.35 0.49 4.39 -1.77 -1.41 114.58 116.31 2i9s h GLU 73 Ca 0.00 -0.36 -0.07 0.00 0.34 0.00 0.00 59.36 59.27 2i9s h GLU 73 Cb 0.99 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.71 2i9s h GLU 73 CO 0.00 1.02 -0.06 0.82 -1.16 0.00 0.00 179.01 179.63 2i9s h ILE 74 N 0.25 1.22 -0.17 3.13 2.04 -1.08 -1.67 117.51 121.23 2i9s h ILE 74 Ca -0.05 -0.94 -0.09 0.00 1.00 0.00 0.00 64.86 64.77 2i9s h ILE 74 Cb 1.42 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 2i9s h ILE 74 CO 0.14 0.32 -0.31 0.50 0.00 0.00 0.00 178.15 178.80 2i9s h LYS 75 N 0.54 0.33 -0.32 2.37 3.11 -0.43 -0.44 116.57 121.73 2i9s h LYS 75 Ca 0.11 -0.13 0.02 0.00 -2.81 0.00 0.00 60.65 57.84 2i9s h LYS 75 Cb 0.43 -0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.62 2i9s h LYS 75 CO 0.02 0.61 0.16 0.22 -2.81 0.00 0.00 179.45 177.65 2i9s h ASP 76 N 0.29 0.24 -0.58 4.20 3.58 -0.37 -1.70 116.42 122.08 2i9s h ASP 76 Ca 0.04 0.01 0.11 0.00 0.42 0.00 0.00 57.03 57.61 2i9s h ASP 76 Cb 0.69 -0.03 -0.08 0.00 1.72 0.00 0.00 39.33 41.63 2i9s h ASP 76 CO 0.05 0.18 0.11 -0.26 -2.88 0.00 0.00 179.24 176.44 2i9s h PHE 77 N 0.34 0.17 0.24 0.28 0.04 -0.49 -0.91 116.94 116.62 2i9s h PHE 77 Ca 0.14 0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.94 2i9s h PHE 77 Cb 0.05 0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.19 2i9s h PHE 77 CO -0.10 -0.04 -0.33 -0.07 -0.60 0.00 0.00 178.31 177.17 2i9s h LEU 78 N 0.24 -0.95 -0.16 1.54 3.38 -0.86 0.36 115.31 118.86 2i9s h LEU 78 Ca 0.30 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.36 2i9s h LEU 78 Cb 0.44 0.33 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2i9s h LEU 78 CO -0.40 -0.41 0.00 1.33 0.09 0.00 0.00 178.44 179.06 2i9s n VAL 79 N -4.38 1.04 0.95 1.22 0.24 -0.67 0.01 118.33 116.74 2i9s n VAL 79 Ca -0.07 0.27 0.11 0.00 -2.04 0.00 0.00 64.34 62.62 2i9s n VAL 79 Cb 0.29 -1.08 0.08 0.00 -1.47 0.00 0.00 33.84 31.65 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 -1.66 0.71 0.00 -1.34 7.64 -0.36 -4.64 113.62 113.97 2i9s n SER 80 Ca 0.03 -0.55 0.00 0.00 1.01 0.00 0.00 58.87 59.36 2i9s n SER 80 Cb 0.17 0.61 0.00 0.00 -1.01 0.00 0.00 64.21 63.98 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 -1.55 2.83 -4.31 1.43 6.02 0.12 -5.05 117.38 116.87 2i9s n GLN 81 Ca 0.05 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.87 2i9s n GLN 81 Cb 0.34 -0.88 -0.10 0.00 1.02 0.00 0.00 30.24 30.62 2i9s n GLN 81 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2i9s s ASP 82 N -2.39 1.45 -1.49 1.08 1.01 0.10 -5.05 116.67 111.39 2i9s s ASP 82 Ca 0.00 -1.29 -0.10 0.00 0.71 0.00 0.00 52.55 51.87 2i9s s ASP 82 Cb 0.00 0.09 0.01 0.00 1.01 0.00 0.00 42.92 44.03 2i9s s ASP 82 CO 0.00 -0.63 2.58 0.54 0.21 0.00 0.00 175.17 177.87 2i9s n ARG 83 N -0.42 3.72 -2.06 8.23 3.00 -1.26 -4.17 116.66 123.70 2i9s n ARG 83 Ca -0.03 -2.69 -0.28 0.00 -0.01 0.00 0.00 57.85 54.83 2i9s n ARG 83 Cb 0.65 -2.88 0.16 0.00 0.00 0.00 0.00 32.46 30.39 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 -3.51 0.00 -3.67 0.00 0.00 -1.01 -4.67 120.51 107.64 2i9s n ALA 85 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.45 2i9s n ALA 85 Cb 0.60 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.98 0.18 -0.11 0.00 2.12 -0.55 -5.00 118.70 114.37 2i9s s GLU 86 Ca 0.00 0.75 0.03 0.00 0.36 0.00 0.00 54.97 56.11 2i9s s GLU 86 Cb 0.00 -0.01 -0.00 0.00 0.26 0.00 0.00 34.13 34.38 2i9s s GLU 86 CO 0.00 -0.26 -0.22 0.14 -0.54 0.00 0.00 175.26 174.38 2i9s s VAL 87 N 2.23 2.23 -0.20 3.70 -7.23 -1.26 0.02 120.40 119.90 2i9s s VAL 87 Ca -0.01 -0.95 -0.01 0.00 -1.81 0.00 0.00 61.98 59.19 2i9s s VAL 87 Cb -0.12 -1.87 0.01 0.00 0.56 0.00 0.00 36.38 34.96 2i9s s VAL 87 CO -0.09 0.55 -0.12 0.42 -0.31 0.00 0.00 175.10 175.55 2i9s s THR 88 N 0.41 2.71 -0.97 5.32 -4.23 0.64 -4.99 115.64 114.53 2i9s s THR 88 Ca -0.16 -0.72 -0.24 0.00 -1.18 0.00 0.00 61.69 59.39 2i9s s THR 88 Cb -0.17 -2.19 0.04 0.00 1.34 0.00 0.00 72.50 71.52 2i9s s THR 88 CO 0.07 0.48 1.45 -0.22 -0.54 0.00 0.00 174.62 175.87 2i9s s LEU 89 N 1.36 3.43 -0.14 4.79 2.96 -1.26 -1.84 118.68 127.97 2i9s s LEU 89 Ca 0.05 -1.24 -0.29 0.00 -0.22 0.00 0.00 54.13 52.44 2i9s s LEU 89 Cb -0.14 -2.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.98 2i9s s LEU 89 CO -0.08 -1.63 0.99 -0.70 -1.32 0.00 0.00 176.35 173.61 2i9s s GLU 90 N 5.22 4.37 0.00 1.98 -6.30 -1.26 -3.50 118.70 119.21 2i9s s GLU 90 Ca 0.46 1.33 0.00 0.00 -2.50 0.00 0.00 54.97 54.26 2i9s s GLU 90 Cb -0.02 -3.57 0.00 0.00 0.00 0.00 0.00 34.13 30.54 2i9s s GLU 90 CO -0.05 -0.39 0.00 0.41 0.02 0.00 0.00 175.26 175.25 2i9s n GLY 91 N 3.20 3.21 3.51 -1.50 0.00 -1.26 -4.61 105.19 107.73 2i9s n GLY 91 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 2i9s n GLY 91 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2i9s s GLN 92 N -0.45 3.27 -0.57 1.61 -0.44 -1.23 -4.98 119.66 116.88 2i9s s GLN 92 Ca 0.00 -0.57 -0.27 0.00 -2.50 0.00 0.00 55.36 52.02 2i9s s GLN 92 Cb 0.00 -3.91 -0.02 0.00 -1.64 0.00 0.00 33.01 27.44 2i9s s GLN 92 CO 0.00 -0.78 1.83 1.41 0.50 0.00 0.00 175.29 178.25 2i9s s MET 93 N 2.23 2.77 -0.19 1.67 -2.45 -1.26 -4.87 119.30 117.19 2i9s s MET 93 Ca 0.14 0.73 -0.00 0.00 -1.25 0.00 0.00 55.69 55.30 2i9s s MET 93 Cb -0.16 -4.35 0.01 0.00 1.25 0.00 0.00 34.83 31.58 2i9s s MET 93 CO 0.14 -2.56 -0.15 1.52 1.05 0.00 0.00 175.02 175.01 2i9s s TYR 94 N 8.61 2.84 -0.72 4.11 -0.85 -1.26 -4.16 117.35 125.91 2i9s s TYR 94 Ca 0.68 -1.45 -0.16 0.00 -0.52 0.00 0.00 57.07 55.62 2i9s s TYR 94 Cb -0.14 -1.98 0.16 0.00 0.38 0.00 0.00 41.96 40.39 2i9s s TYR 94 CO 0.23 -0.74 0.74 -1.25 -1.52 0.00 0.00 175.55 173.01 2i9s s PRO 95 N 1.34 3.33 0.27 -3.49 0.04 -1.26 -4.84 135.00 130.39 2i9s s PRO 95 Ca 0.05 -1.93 0.00 0.00 0.04 0.00 0.00 61.00 59.16 2i9s s PRO 95 Cb -0.13 -4.42 0.00 0.00 0.04 0.00 0.00 34.50 29.98 2i9s s PRO 95 CO -0.10 -1.42 0.00 0.41 0.04 0.00 0.00 177.00 175.93 2i9s n GLY 96 N 4.78 2.16 0.65 0.56 0.00 -1.26 -3.94 105.19 108.15 2i9s n GLY 96 Ca 0.03 -0.21 0.13 0.00 0.00 0.00 0.00 46.02 45.98 2i9s n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60