#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 0.35 0.00 1.61 0.13 -1.92 -3.48 132.00 128.69 2i9s h PRO 2 Ca 0.00 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2i9s h PRO 2 Cb 0.00 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.05 2i9s h PRO 2 CO 0.00 0.23 0.00 0.41 -0.23 0.00 0.00 178.00 178.41 2i9s n GLY 3 N -1.19 3.31 3.47 1.56 0.00 -1.26 -5.09 105.19 105.99 2i9s n GLY 3 Ca -0.00 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 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 0.00 2.43 -0.50 1.61 2.20 -1.26 -5.06 119.74 119.17 2i9s s LYS 4 Ca 0.00 -0.74 -0.01 0.00 -0.36 0.00 0.00 55.97 54.86 2i9s s LYS 4 Cb 0.00 -2.34 0.39 0.00 -1.51 0.00 0.00 37.83 34.37 2i9s s LYS 4 CO 0.00 0.61 1.97 -0.35 -0.36 0.00 0.00 175.35 177.22 2i9s n PRO 5 N 2.21 2.28 -0.05 4.03 -0.04 -1.26 -4.41 135.00 137.77 2i9s n PRO 5 Ca -0.17 -2.58 -0.06 0.00 -0.04 0.00 0.00 63.50 60.65 2i9s n PRO 5 Cb 0.52 -2.01 -0.05 0.00 -0.04 0.00 0.00 33.50 31.92 2i9s n PRO 5 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2i9s n GLU 6 N -0.51 0.80 0.21 0.54 1.02 -1.26 -4.57 120.64 116.87 2i9s n GLU 6 Ca 0.50 0.04 0.06 0.00 -0.02 0.00 0.00 57.16 57.74 2i9s n GLU 6 Cb 0.79 -1.20 0.55 0.00 -0.02 0.00 0.00 31.44 31.55 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 0.08 -0.22 1.62 0.02 -1.97 0.93 113.55 114.00 2i9s h SER 7 Ca -0.23 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2i9s h SER 7 Cb 1.38 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.89 2i9s h SER 7 CO -0.02 0.13 0.14 0.16 -1.14 0.00 0.00 176.83 176.10 2i9s h ILE 8 N 0.09 1.08 0.00 3.27 3.07 -1.85 0.65 117.51 123.82 2i9s h ILE 8 Ca 0.02 -0.19 0.00 0.00 1.55 0.00 0.00 64.86 66.24 2i9s h ILE 8 Cb 0.13 0.81 0.00 0.00 -0.27 0.00 0.00 36.82 37.49 2i9s h ILE 8 CO 0.01 0.08 -0.36 0.00 -1.05 0.00 0.00 178.15 176.82 2i9s n LEU 9 N -4.91 0.66 0.06 0.16 -0.00 -0.62 -1.36 117.00 110.99 2i9s n LEU 9 Ca -0.03 0.34 0.10 0.00 -0.00 0.00 0.00 56.01 56.42 2i9s n LEU 9 Cb 0.05 -0.26 -0.07 0.00 -0.00 0.00 0.00 43.42 43.14 2i9s n LEU 9 CO 0.34 -0.07 -0.30 0.29 -0.00 0.00 0.00 177.39 177.65 2i9s n LYS 10 N -2.04 0.63 -0.02 1.47 5.02 0.23 -0.67 118.16 122.77 2i9s n LYS 10 Ca 0.05 0.01 -0.11 0.00 -2.02 0.00 0.00 58.31 56.23 2i9s n LYS 10 Cb 0.42 -1.71 -0.14 0.00 -0.02 0.00 0.00 35.03 33.58 2i9s n LYS 10 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 2i9s n MET 11 N -2.54 0.66 -0.05 1.97 1.56 0.20 -4.46 117.12 114.46 2i9s n MET 11 Ca -0.03 0.28 -0.20 0.00 -0.27 0.00 0.00 57.70 57.48 2i9s n MET 11 Cb 0.58 -1.76 -0.13 0.00 2.15 0.00 0.00 33.22 34.06 2i9s n MET 11 CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65 2i9s n THR 12 N -3.13 1.66 0.00 1.12 -1.04 -0.46 -5.03 114.28 107.40 2i9s n THR 12 Ca -0.21 -0.61 0.00 0.00 -2.04 0.00 0.00 64.05 61.19 2i9s n THR 12 Cb 1.06 -1.62 0.00 0.00 -1.82 0.00 0.00 70.33 67.95 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 -3.42 0.00 0.00 -2.82 5.02 0.16 -4.10 118.16 113.00 2i9s n LYS 13 Ca -0.38 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 55.91 2i9s n LYS 13 Cb 1.02 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 36.03 2i9s n LYS 13 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2i9s n LYS 14 N 0.00 2.14 -1.30 1.97 4.81 -1.26 -2.67 118.16 121.86 2i9s n LYS 14 Ca 0.00 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.20 2i9s n LYS 14 Cb 0.00 -0.74 -0.03 0.00 0.02 0.00 0.00 35.03 34.28 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 1.58 4.25 2.93 3.14 0.00 -1.26 -1.95 105.19 113.88 2i9s n GLY 15 Ca 0.00 -1.65 -0.27 0.00 0.00 0.00 0.00 46.02 44.11 2i9s n GLY 15 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2i9s s LYS 16 N -1.67 1.60 -0.19 1.61 2.47 -1.26 -4.99 119.74 117.31 2i9s s LYS 16 Ca 0.51 -0.29 -0.18 0.00 -1.56 0.00 0.00 55.97 54.45 2i9s s LYS 16 Cb 0.34 -1.61 -0.03 0.00 -1.46 0.00 0.00 37.83 35.07 2i9s s LYS 16 CO -0.15 -0.24 0.51 0.99 0.16 0.00 0.00 175.35 176.62 2i9s s THR 17 N 1.60 5.12 -0.12 3.43 2.01 -1.26 -3.01 115.64 123.40 2i9s s THR 17 Ca 0.03 0.94 -0.01 0.00 0.31 0.00 0.00 61.69 62.96 2i9s s THR 17 Cb -0.13 -3.83 0.03 0.00 0.01 0.00 0.00 72.50 68.58 2i9s s THR 17 CO -0.07 0.20 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.25 2i9s s LEU 18 N 1.49 1.16 -0.43 4.42 1.43 -0.61 -4.87 118.68 121.26 2i9s s LEU 18 Ca 0.24 -0.36 -0.26 0.00 -1.03 0.00 0.00 54.13 52.72 2i9s s LEU 18 Cb -0.15 -0.77 0.02 0.00 0.03 0.00 0.00 46.19 45.32 2i9s s LEU 18 CO 0.10 -0.16 0.95 0.00 0.23 0.00 0.00 176.35 177.47 2i9s s MET 19 N 1.75 3.66 -0.62 1.70 0.23 -1.26 0.81 119.30 125.57 2i9s s MET 19 Ca 0.04 0.35 -0.25 0.00 -1.03 0.00 0.00 55.69 54.80 2i9s s MET 19 Cb -0.13 -3.88 0.04 0.00 -1.53 0.00 0.00 34.83 29.33 2i9s s MET 19 CO -0.08 -1.15 1.07 -1.64 -2.03 0.00 0.00 175.02 171.20 2i9s s MET 20 N 3.74 3.28 -0.70 3.16 -1.94 -0.50 -3.70 119.30 122.64 2i9s s MET 20 Ca 0.39 -0.30 -0.21 0.00 -1.71 0.00 0.00 55.69 53.85 2i9s s MET 20 Cb -0.10 -4.12 0.09 0.00 2.01 0.00 0.00 34.83 32.71 2i9s s MET 20 CO 0.24 -1.75 0.95 0.12 -0.01 0.00 0.00 175.02 174.58 2i9s s PHE 21 N 4.56 2.81 -0.23 -0.03 2.19 -0.32 -1.58 117.98 125.38 2i9s s PHE 21 Ca 0.32 -0.79 -0.08 0.00 0.33 0.00 0.00 56.93 56.71 2i9s s PHE 21 Cb -0.12 -4.24 -0.04 0.00 -1.31 0.00 0.00 43.02 37.31 2i9s s PHE 21 CO 0.17 -1.56 0.09 0.54 1.83 0.00 0.00 175.22 176.29 2i9s s VAL 22 N 3.56 4.62 0.10 3.12 0.11 0.17 -1.02 120.40 131.06 2i9s s VAL 22 Ca 0.22 -0.07 -0.29 0.00 -2.93 0.00 0.00 61.98 58.91 2i9s s VAL 22 Cb -0.16 -3.14 -0.06 0.00 -1.53 0.00 0.00 36.38 31.49 2i9s s VAL 22 CO 0.06 0.36 0.91 -0.89 -3.33 0.00 0.00 175.10 172.21 2i9s s THR 23 N 1.28 4.53 0.14 5.04 2.01 0.10 -0.43 115.64 128.32 2i9s s THR 23 Ca 0.05 1.97 0.08 0.00 0.31 0.00 0.00 61.69 64.10 2i9s s THR 23 Cb -0.15 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 68.05 2i9s s THR 23 CO 0.04 0.34 -0.09 0.54 -0.69 0.00 0.00 174.62 174.76 2i9s s VAL 24 N -0.07 3.31 0.49 3.82 0.11 -0.01 -0.99 120.40 127.07 2i9s s VAL 24 Ca 0.45 -1.46 -0.05 0.00 -2.93 0.00 0.00 61.98 57.99 2i9s s VAL 24 Cb -0.23 -2.60 -0.03 0.00 -1.53 0.00 0.00 36.38 31.99 2i9s s VAL 24 CO 0.28 -0.00 0.80 -0.44 -3.33 0.00 0.00 175.10 172.40 2i9s s SER 25 N -2.54 6.16 -0.05 3.54 0.01 -1.24 -4.70 113.70 114.86 2i9s s SER 25 Ca 0.23 0.87 -0.00 0.00 1.31 0.00 0.00 55.95 58.36 2i9s s SER 25 Cb -0.10 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 63.98 2i9s s SER 25 CO 0.15 -0.65 0.05 0.61 0.41 0.00 0.00 173.24 173.81 2i9s n GLY 26 N -2.30 -0.46 3.47 3.44 0.00 -1.26 -4.47 105.19 103.62 2i9s n GLY 26 Ca 0.01 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 2i9s n GLY 26 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2i9s s ASN 27 N -1.87 6.22 -0.01 1.61 3.84 -1.26 -3.96 114.94 119.50 2i9s s ASN 27 Ca 0.00 -0.82 0.01 0.00 0.21 0.00 0.00 52.86 52.26 2i9s s ASN 27 Cb -0.00 -2.42 -0.01 0.00 -0.55 0.00 0.00 41.25 38.27 2i9s s ASN 27 CO 0.06 -1.37 0.00 -0.81 -2.79 0.00 0.00 177.10 172.20 2i9s n PRO 28 N 7.59 3.58 0.00 0.43 -0.04 -1.26 -5.02 135.00 140.27 2i9s n PRO 28 Ca -0.03 -0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 2i9s n PRO 28 Cb 0.46 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.89 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 -2.08 0.00 -0.05 0.52 -2.24 -1.26 -4.77 114.28 104.40 2i9s n THR 29 Ca -0.02 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.88 2i9s n THR 29 Cb 0.54 0.00 0.27 0.00 -2.10 0.00 0.00 70.33 69.04 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 2.62 0.00 -0.78 4.07 -1.26 -5.00 120.64 120.29 2i9s n GLU 30 Ca 0.00 -2.48 0.00 0.00 -0.06 0.00 0.00 57.16 54.62 2i9s n GLU 30 Cb 0.00 -1.54 0.00 0.00 -0.06 0.00 0.00 31.44 29.84 2i9s n GLU 30 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 2i9s n LYS 31 N 1.57 0.00 0.13 5.31 5.02 -1.26 -1.29 118.16 127.64 2i9s n LYS 31 Ca 0.22 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.60 2i9s n LYS 31 Cb 0.61 0.00 0.48 0.00 -0.02 0.00 0.00 35.03 36.10 2i9s n LYS 31 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2i9s n GLU 32 N -0.46 0.12 -0.03 1.97 4.07 -1.25 -0.01 120.64 125.05 2i9s n GLU 32 Ca 0.00 0.59 -0.13 0.00 -0.06 0.00 0.00 57.16 57.56 2i9s n GLU 32 Cb 0.00 -1.87 -0.08 0.00 -0.06 0.00 0.00 31.44 29.43 2i9s n GLU 32 CO 0.00 0.00 0.00 1.15 -0.06 0.00 0.00 177.13 178.22 2i9s h THR 33 N 0.00 1.31 -0.22 6.31 2.02 -1.88 -0.65 112.91 119.79 2i9s h THR 33 Ca 0.00 -0.98 0.03 0.00 0.77 0.00 0.00 66.41 66.23 2i9s h THR 33 Cb 0.04 1.81 -0.03 0.00 -1.74 0.00 0.00 68.15 68.23 2i9s h THR 33 CO 0.00 0.27 0.05 1.05 0.37 0.00 0.00 175.52 177.26 2i9s h GLU 34 N -0.21 0.13 0.39 6.66 4.11 0.94 0.56 114.58 127.17 2i9s h GLU 34 Ca 0.02 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.43 2i9s h GLU 34 Cb 0.44 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2i9s h GLU 34 CO 0.01 0.09 -0.34 0.93 0.07 0.00 0.00 179.01 179.77 2i9s h GLU 35 N 0.14 -0.72 0.00 1.06 4.39 -1.29 -1.84 114.58 116.32 2i9s h GLU 35 Ca 0.10 0.05 -0.11 0.00 0.34 0.00 0.00 59.36 59.74 2i9s h GLU 35 Cb 0.09 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 2i9s h GLU 35 CO -0.12 -0.48 -0.53 0.82 -1.16 0.00 0.00 179.01 177.54 2i9s h ILE 36 N -0.75 1.38 -0.13 3.13 2.04 -1.08 -1.58 117.51 120.51 2i9s h ILE 36 Ca -0.03 -1.81 -0.10 0.00 1.00 0.00 0.00 64.86 63.92 2i9s h ILE 36 Cb 0.66 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.71 2i9s h ILE 36 CO -0.03 0.52 -0.31 0.71 0.00 0.00 0.00 178.15 179.03 2i9s h THR 37 N 0.00 1.37 0.97 -0.27 1.35 0.46 0.52 112.91 117.31 2i9s h THR 37 Ca -0.01 -1.59 -0.05 0.00 -0.55 0.00 0.00 66.41 64.21 2i9s h THR 37 Cb 0.93 2.05 0.01 0.00 -1.73 0.00 0.00 68.15 69.42 2i9s h THR 37 CO 0.07 0.47 -0.47 0.77 -0.25 0.00 0.00 175.52 176.12 2i9s h SER 38 N 0.05 -1.10 -0.02 5.36 4.64 -1.30 0.12 113.55 121.30 2i9s h SER 38 Ca -0.00 0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2i9s h SER 38 Cb 0.92 0.29 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2i9s h SER 38 CO 0.07 -0.78 0.00 0.25 -0.87 0.00 0.00 176.83 175.50 2i9s h LEU 39 N -1.32 0.03 0.25 5.97 5.85 -1.34 -0.74 115.31 124.00 2i9s h LEU 39 Ca -0.13 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.33 2i9s h LEU 39 Cb 1.00 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.02 2i9s h LEU 39 CO 0.22 0.27 -0.12 -0.50 -0.34 0.00 0.00 178.44 177.97 2i9s h TRP 40 N -0.21 -0.31 0.00 1.25 6.55 -0.01 -1.63 115.95 121.60 2i9s h TRP 40 Ca 0.01 -0.01 -0.02 0.00 0.95 0.00 0.00 58.89 59.82 2i9s h TRP 40 Cb 0.25 0.10 -0.00 0.00 -0.86 0.00 0.00 29.16 28.65 2i9s h TRP 40 CO 0.01 -0.19 -0.07 -0.56 -1.05 0.00 0.00 178.44 176.58 2i9s h GLN 41 N -1.00 0.00 0.55 0.49 -0.00 -0.70 0.96 115.11 115.41 2i9s h GLN 41 Ca -0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.59 2i9s h GLN 41 Cb 0.25 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 27.74 2i9s h GLN 41 CO 0.06 0.07 -0.27 0.78 -0.00 0.00 0.00 178.83 179.47 2i9s h GLY 42 N 1.18 -0.78 2.00 0.06 0.00 -1.00 -1.09 103.07 103.44 2i9s h GLY 42 Ca -0.00 0.29 -0.07 0.00 0.00 0.00 0.00 47.33 47.54 2i9s h GLY 42 CO 0.01 -0.28 -0.36 1.48 0.00 0.00 0.00 176.54 177.39 2i9s h SER 43 N -0.81 0.00 -0.49 0.19 4.64 0.17 0.19 113.55 117.44 2i9s h SER 43 Ca -0.08 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 2i9s h SER 43 Cb 0.60 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.66 2i9s h SER 43 CO 0.12 0.36 0.29 -0.07 -0.87 0.00 0.00 176.83 176.66 2i9s h LEU 44 N 0.00 0.61 0.00 5.97 3.38 0.10 0.11 115.31 125.48 2i9s h LEU 44 Ca -0.00 -0.04 -0.21 0.00 0.09 0.00 0.00 57.88 57.72 2i9s h LEU 44 Cb 0.66 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 2i9s h LEU 44 CO 0.05 0.49 -1.59 0.33 0.09 0.00 0.00 178.44 177.80 2i9s n PHE 45 N -4.42 0.88 0.20 1.13 7.35 -0.43 -2.66 117.46 119.51 2i9s n PHE 45 Ca 0.04 0.30 0.05 0.00 -0.76 0.00 0.00 57.45 57.08 2i9s n PHE 45 Cb 0.09 -1.09 0.43 0.00 0.35 0.00 0.00 39.48 39.26 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 0.09 -2.13 -0.73 0.18 -0.31 115.58 112.67 2i9s h ASN 46 Ca -0.22 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.95 2i9s h ASN 46 Cb 1.73 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.32 2i9s h ASN 46 CO 0.05 0.31 -0.25 0.00 -0.37 0.00 0.00 177.43 177.17 2i9s n ALA 47 N -2.43 3.06 -3.72 1.57 0.00 0.31 -4.98 120.51 114.31 2i9s n ALA 47 Ca -0.02 -0.52 -0.25 0.00 0.00 0.00 0.00 53.44 52.66 2i9s n ALA 47 Cb 0.37 -1.00 0.05 0.00 0.00 0.00 0.00 19.45 18.87 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 -0.09 -3.88 0.00 0.00 5.15 -0.13 -4.90 115.26 111.42 2i9s n ASN 48 Ca 0.13 -0.71 0.02 0.00 -0.60 0.00 0.00 54.58 53.42 2i9s n ASN 48 Cb 0.41 -4.36 0.13 0.00 -0.53 0.00 0.00 39.78 35.44 2i9s n ASN 48 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2i9s n TYR 49 N -4.59 0.00 -3.15 1.20 4.01 -1.09 -4.87 117.16 108.68 2i9s n TYR 49 Ca -0.10 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.60 2i9s n TYR 49 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.62 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 -0.71 -7.41 -3.97 7.72 2.03 -1.26 -4.75 116.55 108.21 2i9s n ASP 50 Ca 0.03 -0.15 -0.11 0.00 0.52 0.00 0.00 54.79 55.09 2i9s n ASP 50 Cb 0.02 -4.80 -0.07 0.00 -0.72 0.00 0.00 41.12 35.54 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 -0.06 5.18 -7.23 -1.26 -3.59 120.40 110.48 2i9s s VAL 51 Ca 0.02 -1.61 0.01 0.00 -1.81 0.00 0.00 61.98 58.59 2i9s s VAL 51 Cb -0.01 -2.35 0.02 0.00 0.56 0.00 0.00 36.38 34.61 2i9s s VAL 51 CO 0.77 0.00 -0.06 0.00 -0.31 0.00 0.00 175.10 175.50 2i9s s GLN 52 N -3.95 1.10 -0.03 4.82 0.00 -0.68 -4.97 119.66 115.94 2i9s s GLN 52 Ca 0.28 -0.16 0.02 0.00 -0.00 0.00 0.00 55.36 55.50 2i9s s GLN 52 Cb 0.02 -1.10 0.01 0.00 0.00 0.00 0.00 33.01 31.93 2i9s s GLN 52 CO 0.11 -0.12 -0.09 1.03 0.00 0.00 0.00 175.29 176.22 2i9s s ARG 53 N 1.14 1.05 0.06 9.60 3.00 -1.26 0.21 118.95 132.75 2i9s s ARG 53 Ca -0.07 -0.30 0.03 0.00 0.00 0.00 0.00 55.73 55.38 2i9s s ARG 53 Cb -0.14 -0.97 -0.03 0.00 0.00 0.00 0.00 34.95 33.81 2i9s s ARG 53 CO -0.01 0.09 -0.09 -0.06 0.00 0.00 0.00 175.30 175.23 2i9s s PHE 54 N 0.32 0.83 -0.78 -0.53 0.08 -0.75 -4.92 117.98 112.23 2i9s s PHE 54 Ca -0.05 -0.59 -0.20 0.00 0.12 0.00 0.00 56.93 56.20 2i9s s PHE 54 Cb -0.10 -0.48 0.10 0.00 -0.57 0.00 0.00 43.02 41.97 2i9s s PHE 54 CO 0.01 -0.07 1.01 0.42 -0.10 0.00 0.00 175.22 176.49 2i9s s ILE 55 N -1.94 4.58 -0.15 0.64 1.01 -1.26 -0.65 121.20 123.44 2i9s s ILE 55 Ca -0.03 -1.04 0.13 0.00 0.00 0.00 0.00 60.65 59.72 2i9s s ILE 55 Cb -0.06 -4.71 -0.24 0.00 0.01 0.00 0.00 42.46 37.46 2i9s s ILE 55 CO -0.00 -1.44 0.27 1.33 0.00 0.00 0.00 174.94 175.09 2i9s n VAL 56 N 5.66 1.50 -2.71 2.92 0.24 -1.24 -4.84 118.33 119.86 2i9s n VAL 56 Ca 0.09 -0.80 -0.07 0.00 -2.04 0.00 0.00 64.34 61.52 2i9s n VAL 56 Cb 0.47 -0.82 0.09 0.00 -1.47 0.00 0.00 33.84 32.11 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 1.74 -0.31 0.70 7.63 0.00 -0.44 -5.03 105.19 109.47 2i9s n GLY 57 Ca -0.28 0.37 -0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.79 -0.33 0.00 1.61 7.64 -1.26 -0.45 113.62 121.61 2i9s n SER 58 Ca 0.03 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.93 2i9s n SER 58 Cb 0.70 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 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 1.42 0.00 -4.14 6.43 2.03 -1.25 -4.77 116.55 116.28 2i9s n ASP 59 Ca -0.00 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.04 2i9s n ASP 59 Cb 0.03 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.27 2i9s n ASP 59 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2i9s s ARG 60 N -0.50 1.88 0.23 -0.67 3.00 0.40 -0.83 118.95 122.47 2i9s s ARG 60 Ca 0.00 -0.62 0.01 0.00 0.00 0.00 0.00 55.73 55.11 2i9s s ARG 60 Cb 0.00 -1.61 -0.05 0.00 0.00 0.00 0.00 34.95 33.29 2i9s s ARG 60 CO 0.00 0.23 0.09 0.00 0.00 0.00 0.00 175.30 175.63 2i9s s ALA 61 N 0.09 1.54 0.04 2.13 0.00 0.43 -1.33 121.76 124.66 2i9s s ALA 61 Ca -0.05 -1.80 -0.03 0.00 0.00 0.00 0.00 51.96 50.08 2i9s s ALA 61 Cb -0.12 1.08 -0.02 0.00 0.00 0.00 0.00 23.12 24.05 2i9s s ALA 61 CO 0.03 -0.48 0.04 0.96 0.00 0.00 0.00 175.76 176.30 2i9s s ILE 62 N -3.85 0.16 -0.27 0.00 -4.36 0.18 -0.65 121.20 112.41 2i9s s ILE 62 Ca 0.37 -1.30 -0.01 0.00 -0.26 0.00 0.00 60.65 59.44 2i9s s ILE 62 Cb 0.07 -1.00 0.08 0.00 1.25 0.00 0.00 42.46 42.87 2i9s s ILE 62 CO 0.12 -0.72 0.07 0.72 0.24 0.00 0.00 174.94 175.37 2i9s s PHE 63 N -2.89 1.49 -0.46 1.37 -0.71 -0.61 -1.82 117.98 114.34 2i9s s PHE 63 Ca -0.03 -1.43 -0.21 0.00 -1.04 0.00 0.00 56.93 54.23 2i9s s PHE 63 Cb 0.01 -1.45 0.03 0.00 -1.21 0.00 0.00 43.02 40.39 2i9s s PHE 63 CO -0.06 -0.79 0.69 1.41 -1.34 0.00 0.00 175.22 175.13 2i9s s MET 64 N 1.70 3.27 0.45 1.99 1.75 0.13 -1.42 119.30 127.18 2i9s s MET 64 Ca 0.05 -0.41 -0.24 0.00 -1.25 0.00 0.00 55.69 53.84 2i9s s MET 64 Cb -0.17 -3.98 -0.07 0.00 2.84 0.00 0.00 34.83 33.44 2i9s s MET 64 CO -0.19 -1.11 1.25 -0.51 -0.65 0.00 0.00 175.02 173.81 2i9s s LEU 65 N 2.96 4.07 0.05 4.11 1.02 0.24 -1.69 118.68 129.44 2i9s s LEU 65 Ca 0.23 2.51 0.00 0.00 0.02 0.00 0.00 54.13 56.89 2i9s s LEU 65 Cb -0.14 -4.11 0.00 0.00 0.02 0.00 0.00 46.19 41.96 2i9s s LEU 65 CO 0.18 -0.98 0.00 -1.14 0.02 0.00 0.00 176.35 174.43 2i9s n ARG 66 N -0.31 0.00 0.00 1.70 0.63 -1.24 -1.57 116.66 115.88 2i9s n ARG 66 Ca 0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 2i9s n ARG 66 Cb 0.46 -0.44 0.00 0.00 0.45 0.00 0.00 32.46 32.93 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 -3.15 0.00 0.00 6.15 2.03 -1.26 -4.35 116.55 115.97 2i9s n ASP 67 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2i9s n ASP 67 Cb 0.28 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 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 -0.49 0.48 2.56 0.27 0.00 -0.82 -4.08 105.19 103.10 2i9s n GLY 68 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2i9s n GLY 68 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2i9s s SER 69 N 0.00 2.98 0.00 1.61 0.15 -1.09 -4.66 113.70 112.69 2i9s s SER 69 Ca 0.00 -2.62 0.00 0.00 0.70 0.00 0.00 55.95 54.03 2i9s s SER 69 Cb 0.00 -0.69 0.00 0.00 -1.71 0.00 0.00 66.02 63.62 2i9s s SER 69 CO 0.00 -0.25 0.00 0.00 1.20 0.00 0.00 173.24 174.19 2i9s n TYR 70 N 3.49 0.00 -0.00 3.44 4.11 -1.26 -5.07 117.16 121.87 2i9s n TYR 70 Ca 0.15 0.00 -0.08 0.00 -0.00 0.00 0.00 57.90 57.97 2i9s n TYR 70 Cb 0.38 0.00 -0.13 0.00 -0.00 0.00 0.00 39.34 39.59 2i9s n TYR 70 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2i9s h ALA 71 N 0.00 0.69 0.00 -3.48 0.00 -1.98 -3.23 119.26 111.27 2i9s h ALA 71 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 54.91 53.56 2i9s h ALA 71 Cb 0.00 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2i9s h ALA 71 CO 0.00 1.51 0.00 -1.49 0.00 0.00 0.00 179.25 179.27 2i9s h TRP 72 N 0.00 0.00 -0.31 0.00 6.55 -1.97 0.70 115.95 120.91 2i9s h TRP 72 Ca -0.23 0.00 -0.07 0.00 0.95 0.00 0.00 58.89 59.54 2i9s h TRP 72 Cb 1.96 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 30.25 2i9s h TRP 72 CO 0.00 0.00 -0.08 1.49 -1.05 0.00 0.00 178.44 178.80 2i9s h GLU 73 N 0.00 0.61 -0.87 0.49 4.81 -1.95 -0.69 114.58 116.99 2i9s h GLU 73 Ca 0.00 -0.23 0.02 0.00 -0.13 0.00 0.00 59.36 59.01 2i9s h GLU 73 Cb 0.72 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.02 2i9s h GLU 73 CO 0.00 0.79 0.57 0.82 -0.73 0.00 0.00 179.01 180.47 2i9s h ILE 74 N 0.38 1.20 -0.55 2.32 2.04 -1.07 -1.58 117.51 120.26 2i9s h ILE 74 Ca 0.08 -0.40 -0.07 0.00 1.00 0.00 0.00 64.86 65.47 2i9s h ILE 74 Cb 0.57 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 2i9s h ILE 74 CO 0.03 0.21 0.05 0.50 0.00 0.00 0.00 178.15 178.94 2i9s h LYS 75 N 1.15 0.90 -0.45 2.37 3.11 -0.63 -1.04 116.57 121.99 2i9s h LYS 75 Ca 0.33 -0.24 -0.01 0.00 -2.81 0.00 0.00 60.65 57.92 2i9s h LYS 75 Cb -0.09 -0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 31.01 2i9s h LYS 75 CO -0.08 0.87 0.23 0.22 -2.81 0.00 0.00 179.45 177.88 2i9s h ASP 76 N 0.85 0.58 -0.31 4.20 3.58 -0.38 -1.46 116.42 123.48 2i9s h ASP 76 Ca 0.17 -0.11 0.03 0.00 0.42 0.00 0.00 57.03 57.55 2i9s h ASP 76 Cb 0.43 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.30 2i9s h ASP 76 CO 0.02 0.52 0.10 -0.26 -2.88 0.00 0.00 179.24 176.73 2i9s h PHE 77 N 0.59 0.18 -0.66 0.28 0.04 -0.50 -0.58 116.94 116.29 2i9s h PHE 77 Ca 0.16 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.91 2i9s h PHE 77 Cb 0.08 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 38.17 2i9s h PHE 77 CO -0.02 0.07 0.27 1.37 -0.60 0.00 0.00 178.31 179.41 2i9s h LEU 78 N 0.23 0.90 -0.10 1.54 8.10 -1.00 1.06 115.31 126.04 2i9s h LEU 78 Ca 0.14 -0.17 0.00 0.00 0.11 0.00 0.00 57.88 57.96 2i9s h LEU 78 Cb 0.11 -0.23 0.00 0.00 -0.44 0.00 0.00 40.66 40.10 2i9s h LEU 78 CO -0.15 0.82 0.00 1.33 -4.11 0.00 0.00 178.44 176.34 2i9s n VAL 79 N -4.42 0.48 0.74 0.15 0.24 -0.57 -0.11 118.33 114.85 2i9s n VAL 79 Ca 0.05 0.02 0.10 0.00 -2.04 0.00 0.00 64.34 62.47 2i9s n VAL 79 Cb 0.17 -0.73 0.09 0.00 -1.47 0.00 0.00 33.84 31.90 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 -1.78 2.64 -0.08 -1.34 7.64 -0.25 -4.47 113.62 115.98 2i9s n SER 80 Ca 0.05 -1.81 -0.13 0.00 1.01 0.00 0.00 58.87 58.00 2i9s n SER 80 Cb 0.31 -0.02 -0.08 0.00 -1.01 0.00 0.00 64.21 63.40 2i9s n SER 80 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 2i9s h GLN 81 N 3.74 0.00 0.00 1.43 5.75 0.46 -3.49 115.11 123.00 2i9s h GLN 81 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2i9s h GLN 81 Cb 0.80 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.35 2i9s h GLN 81 CO 0.00 0.65 0.00 -0.40 -2.65 0.00 0.00 178.83 176.43 2i9s n ASP 82 N -4.58 0.00 -4.74 -0.69 5.68 -0.84 -5.07 116.55 106.31 2i9s n ASP 82 Ca -0.15 0.00 -0.37 0.00 -0.50 0.00 0.00 54.79 53.76 2i9s n ASP 82 Cb 0.43 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.35 2i9s n ASP 82 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2i9s s ARG 83 N 0.40 4.25 0.04 0.11 0.52 -1.26 -4.83 118.95 118.18 2i9s s ARG 83 Ca 0.00 0.34 -0.20 0.00 -0.52 0.00 0.00 55.73 55.35 2i9s s ARG 83 Cb 0.00 -3.40 0.04 0.00 0.52 0.00 0.00 34.95 32.12 2i9s s ARG 83 CO 0.00 0.27 0.47 0.00 0.02 0.00 0.00 175.30 176.05 2i9s n ALA 85 N 0.48 0.07 -3.67 0.00 0.00 -1.18 -3.68 120.51 112.53 2i9s n ALA 85 Ca -0.18 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.17 2i9s n ALA 85 Cb 0.60 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.96 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 -1.99 0.47 -0.39 0.00 2.12 -0.16 -4.98 118.70 113.78 2i9s s GLU 86 Ca 0.00 1.01 -0.05 0.00 0.36 0.00 0.00 54.97 56.29 2i9s s GLU 86 Cb 0.00 0.17 0.09 0.00 0.26 0.00 0.00 34.13 34.64 2i9s s GLU 86 CO 0.00 -0.18 0.18 0.14 -0.54 0.00 0.00 175.26 174.86 2i9s s VAL 87 N 1.84 3.53 -0.13 3.70 -7.23 -1.26 0.03 120.40 120.87 2i9s s VAL 87 Ca -0.08 -1.69 -0.06 0.00 -1.81 0.00 0.00 61.98 58.34 2i9s s VAL 87 Cb -0.09 -3.25 -0.04 0.00 0.56 0.00 0.00 36.38 33.57 2i9s s VAL 87 CO -0.15 -0.50 0.08 0.42 -0.31 0.00 0.00 175.10 174.64 2i9s s THR 88 N 1.26 4.98 0.23 5.32 -4.23 -0.19 -4.95 115.64 118.06 2i9s s THR 88 Ca 0.04 0.02 0.10 0.00 -1.18 0.00 0.00 61.69 60.67 2i9s s THR 88 Cb -0.22 -3.18 -0.04 0.00 1.34 0.00 0.00 72.50 70.39 2i9s s THR 88 CO -0.01 0.56 -0.13 -0.76 -0.54 0.00 0.00 174.62 173.73 2i9s s LEU 89 N -0.50 2.82 0.71 4.79 2.01 -1.26 -1.18 118.68 126.07 2i9s s LEU 89 Ca 0.11 -0.78 -0.11 0.00 0.01 0.00 0.00 54.13 53.35 2i9s s LEU 89 Cb -0.12 -1.42 0.02 0.00 0.01 0.00 0.00 46.19 44.68 2i9s s LEU 89 CO 0.02 0.06 1.09 -0.70 1.01 0.00 0.00 176.35 177.84 2i9s s GLU 90 N -3.21 2.81 0.00 1.70 -6.30 -1.24 -4.86 118.70 107.59 2i9s s GLU 90 Ca 0.27 0.51 0.00 0.00 -2.50 0.00 0.00 54.97 53.25 2i9s s GLU 90 Cb -0.07 -2.01 0.00 0.00 0.00 0.00 0.00 34.13 32.05 2i9s s GLU 90 CO 0.15 -1.08 0.00 0.41 0.02 0.00 0.00 175.26 174.76 2i9s n GLY 91 N -2.87 -0.25 3.56 -1.50 0.00 -1.26 -4.67 105.19 98.20 2i9s n GLY 91 Ca 0.07 -0.54 -0.44 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.08 1.68 0.00 1.61 7.27 -1.26 -0.80 117.38 125.80 2i9s n GLN 92 Ca 0.00 0.43 0.00 0.00 0.07 0.00 0.00 57.00 57.50 2i9s n GLN 92 Cb 0.00 -3.08 0.00 0.00 2.41 0.00 0.00 30.24 29.57 2i9s n GLN 92 CO 0.00 0.00 0.00 -0.12 0.07 0.00 0.00 177.06 177.01 2i9s n MET 93 N 8.67 0.00 0.00 3.69 1.56 -1.26 -5.03 117.12 124.75 2i9s n MET 93 Ca 0.33 0.00 -0.14 0.00 -0.27 0.00 0.00 57.70 57.62 2i9s n MET 93 Cb 0.41 0.00 -0.09 0.00 2.15 0.00 0.00 33.22 35.69 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 -1.49 -0.44 1.12 3.20 -1.24 0.71 116.97 118.84 2i9s h TYR 94 Ca 0.00 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.93 2i9s h TYR 94 Cb 0.00 0.66 0.00 0.00 1.54 0.00 0.00 36.73 38.93 2i9s h TYR 94 CO 0.00 -0.53 0.00 -0.35 -1.64 0.00 0.00 178.16 175.64 2i9s n PRO 95 N -5.44 2.15 -0.08 1.82 -0.05 -1.26 -4.22 135.00 127.91 2i9s n PRO 95 Ca -0.06 -1.63 -0.16 0.00 -0.05 0.00 0.00 63.50 61.61 2i9s n PRO 95 Cb 0.38 -1.40 -0.06 0.00 -0.05 0.00 0.00 33.50 32.37 2i9s n PRO 95 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 2i9s n GLY 96 N 1.14 -0.25 0.00 0.55 0.00 -0.88 -4.75 105.19 101.00 2i9s n GLY 96 Ca 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2i9s n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60