#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 0.13 -0.41 1.61 -0.02 -1.26 -2.60 135.00 132.45 2i9s n PRO 2 Ca 0.00 0.41 0.05 0.00 -2.02 0.00 0.00 63.50 61.94 2i9s n PRO 2 Cb 0.00 -1.78 0.22 0.00 -0.02 0.00 0.00 33.50 31.92 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 -0.23 1.85 3.73 -1.23 0.00 -1.26 -4.90 105.19 103.15 2i9s n GLY 3 Ca 0.02 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.80 4.49 -0.76 1.61 -2.85 -1.07 -4.90 119.74 114.47 2i9s s LYS 4 Ca 0.30 1.84 -0.26 0.00 -1.00 0.00 0.00 55.97 56.86 2i9s s LYS 4 Cb 0.21 -3.26 -0.03 0.00 -2.06 0.00 0.00 37.83 32.68 2i9s s LYS 4 CO 0.13 -0.10 1.88 -2.14 0.10 0.00 0.00 175.35 175.22 2i9s s PRO 5 N -0.01 2.62 0.31 1.78 0.02 -1.26 -4.74 135.00 133.72 2i9s s PRO 5 Ca 0.54 0.15 0.19 0.00 0.02 0.00 0.00 61.00 61.89 2i9s s PRO 5 Cb -0.32 -4.72 0.14 0.00 0.02 0.00 0.00 34.50 29.63 2i9s s PRO 5 CO 0.35 -3.02 1.42 0.93 -0.33 0.00 0.00 177.00 176.35 2i9s h GLU 6 N 13.09 0.00 0.17 5.54 4.39 -1.95 -3.35 114.58 132.46 2i9s h GLU 6 Ca -0.09 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.63 2i9s h GLU 6 Cb 1.08 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.69 2i9s h GLU 6 CO 1.22 0.26 -0.39 0.66 -1.16 0.00 0.00 179.01 179.60 2i9s h SER 7 N 0.00 -1.12 -0.52 1.42 4.64 -1.99 -1.84 113.55 114.14 2i9s h SER 7 Ca -0.02 0.12 -0.08 0.00 -0.47 0.00 0.00 61.79 61.35 2i9s h SER 7 Cb 1.23 0.41 -0.02 0.00 -0.31 0.00 0.00 62.40 63.72 2i9s h SER 7 CO 0.03 -0.48 0.02 0.16 -0.87 0.00 0.00 176.83 175.70 2i9s h ILE 8 N -0.65 1.26 -0.12 0.95 3.07 -1.98 -0.24 117.51 119.79 2i9s h ILE 8 Ca 0.02 -1.06 -0.20 0.00 1.55 0.00 0.00 64.86 65.16 2i9s h ILE 8 Cb 0.66 0.92 0.00 0.00 -0.27 0.00 0.00 36.82 38.13 2i9s h ILE 8 CO -0.20 0.38 -0.73 0.17 -1.05 0.00 0.00 178.15 176.71 2i9s h LEU 9 N 0.78 0.71 -0.08 0.16 -0.00 -1.69 -1.08 115.31 114.11 2i9s h LEU 9 Ca 0.15 -0.46 -0.14 0.00 -0.00 0.00 0.00 57.88 57.43 2i9s h LEU 9 Cb 0.50 -0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 40.93 2i9s h LEU 9 CO 0.02 1.22 -0.68 0.07 -0.00 0.00 0.00 178.44 179.08 2i9s h LYS 10 N 0.41 0.00 0.03 0.17 5.09 -1.28 -0.51 116.57 120.49 2i9s h LYS 10 Ca -0.04 0.00 -0.22 0.00 0.09 0.00 0.00 60.65 60.48 2i9s h LYS 10 Cb 1.33 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.65 2i9s h LYS 10 CO 0.14 0.68 -0.99 1.98 -2.09 0.00 0.00 179.45 179.17 2i9s h MET 11 N 0.00 0.20 0.08 0.07 4.05 -0.96 -3.30 114.93 115.07 2i9s h MET 11 Ca -0.01 -0.26 -0.14 0.00 -0.28 0.00 0.00 59.70 59.02 2i9s h MET 11 Cb 1.49 0.08 0.01 0.00 -0.80 0.00 0.00 31.60 32.38 2i9s h MET 11 CO 0.09 1.03 -0.64 1.15 0.23 0.00 0.00 176.91 178.77 2i9s h THR 12 N 0.09 1.51 -0.49 -0.77 2.02 -1.23 -3.50 112.91 110.53 2i9s h THR 12 Ca -0.06 -2.43 0.00 0.00 0.77 0.00 0.00 66.41 64.69 2i9s h THR 12 Cb 1.66 3.13 0.00 0.00 -1.74 0.00 0.00 68.15 71.21 2i9s h THR 12 CO 0.15 0.65 0.00 2.29 0.37 0.00 0.00 175.52 178.98 2i9s n LYS 13 N -4.29 0.00 -1.80 6.66 2.85 -0.20 -4.88 118.16 116.50 2i9s n LYS 13 Ca -0.15 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 56.95 2i9s n LYS 13 Cb 0.70 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 35.04 2i9s n LYS 13 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2i9s n LYS 14 N -0.39 -1.17 -3.18 -1.58 3.00 -1.26 -3.11 118.16 110.47 2i9s n LYS 14 Ca 0.00 0.95 -0.09 0.00 -0.00 0.00 0.00 58.31 59.17 2i9s n LYS 14 Cb 0.00 -5.21 0.04 0.00 0.00 0.00 0.00 35.03 29.86 2i9s n LYS 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2i9s n GLY 15 N -1.02 -1.20 3.67 3.14 0.00 -1.25 -4.95 105.19 103.58 2i9s n GLY 15 Ca -0.17 0.54 -0.42 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 -3.83 4.32 -0.14 1.61 2.47 -1.16 -4.71 119.74 118.30 2i9s s LYS 16 Ca 0.26 1.15 -0.29 0.00 -1.56 0.00 0.00 55.97 55.52 2i9s s LYS 16 Cb -0.04 -3.58 -0.04 0.00 -1.46 0.00 0.00 37.83 32.71 2i9s s LYS 16 CO 0.75 -0.37 1.69 0.99 0.16 0.00 0.00 175.35 178.57 2i9s s THR 17 N 2.27 3.57 -0.20 3.43 2.01 -1.25 -4.18 115.64 121.29 2i9s s THR 17 Ca 0.41 0.66 0.02 0.00 0.31 0.00 0.00 61.69 63.08 2i9s s THR 17 Cb -0.17 -3.52 0.03 0.00 0.01 0.00 0.00 72.50 68.85 2i9s s THR 17 CO 0.13 -0.17 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.50 2i9s s LEU 18 N 4.95 2.48 -0.03 4.42 1.98 0.94 -4.99 118.68 128.44 2i9s s LEU 18 Ca 0.75 -0.86 -0.20 0.00 -2.89 0.00 0.00 54.13 50.93 2i9s s LEU 18 Cb -0.30 -1.47 -0.05 0.00 0.66 0.00 0.00 46.19 45.04 2i9s s LEU 18 CO 0.30 -0.06 0.58 0.00 -1.89 0.00 0.00 176.35 175.28 2i9s s MET 19 N 1.26 4.31 -0.14 1.98 0.23 -1.26 -0.77 119.30 124.90 2i9s s MET 19 Ca 0.01 0.69 0.01 0.00 -1.03 0.00 0.00 55.69 55.36 2i9s s MET 19 Cb -0.15 -3.36 0.02 0.00 -1.53 0.00 0.00 34.83 29.81 2i9s s MET 19 CO -0.10 0.32 -0.16 1.41 -2.03 0.00 0.00 175.02 174.46 2i9s s MET 20 N -0.01 2.45 -0.19 3.16 1.75 -0.51 -2.37 119.30 123.58 2i9s s MET 20 Ca 0.30 -0.63 -0.16 0.00 -1.25 0.00 0.00 55.69 53.96 2i9s s MET 20 Cb -0.18 -2.15 -0.04 0.00 2.84 0.00 0.00 34.83 35.30 2i9s s MET 20 CO 0.16 -0.17 0.39 0.12 -0.65 0.00 0.00 175.02 174.86 2i9s s PHE 21 N 1.28 3.39 -0.09 4.11 2.19 -0.54 -1.48 117.98 126.84 2i9s s PHE 21 Ca 0.01 0.62 0.04 0.00 0.33 0.00 0.00 56.93 57.93 2i9s s PHE 21 Cb -0.14 -2.50 0.00 0.00 -1.31 0.00 0.00 43.02 39.08 2i9s s PHE 21 CO -0.08 0.03 -0.23 0.54 1.83 0.00 0.00 175.22 177.31 2i9s s VAL 22 N 1.16 1.97 -0.13 3.12 0.11 0.08 -0.34 120.40 126.36 2i9s s VAL 22 Ca 0.19 -0.97 -0.14 0.00 -2.93 0.00 0.00 61.98 58.13 2i9s s VAL 22 Cb -0.14 -1.71 -0.05 0.00 -1.53 0.00 0.00 36.38 32.95 2i9s s VAL 22 CO 0.08 0.54 0.31 -0.89 -3.33 0.00 0.00 175.10 171.81 2i9s s THR 23 N 0.32 5.27 -0.06 5.04 2.01 0.10 -0.31 115.64 128.01 2i9s s THR 23 Ca -0.17 0.60 0.01 0.00 0.31 0.00 0.00 61.69 62.44 2i9s s THR 23 Cb -0.17 -3.64 0.02 0.00 0.01 0.00 0.00 72.50 68.71 2i9s s THR 23 CO 0.08 0.42 -0.08 0.54 -0.69 0.00 0.00 174.62 174.89 2i9s s VAL 24 N 0.18 0.84 -0.08 3.82 0.11 0.98 -0.95 120.40 125.31 2i9s s VAL 24 Ca 0.18 -0.28 0.22 0.00 -2.93 0.00 0.00 61.98 59.17 2i9s s VAL 24 Cb -0.14 -0.83 0.41 0.00 -1.53 0.00 0.00 36.38 34.30 2i9s s VAL 24 CO 0.06 0.30 1.15 -1.54 -3.33 0.00 0.00 175.10 171.74 2i9s n SER 25 N 4.14 0.86 -0.02 3.54 3.41 -1.25 -4.24 113.62 120.07 2i9s n SER 25 Ca -0.21 -2.01 -0.00 0.00 -0.26 0.00 0.00 58.87 56.38 2i9s n SER 25 Cb 0.51 -0.25 0.29 0.00 -0.26 0.00 0.00 64.21 64.50 2i9s n SER 25 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2i9s h GLY 26 N 1.32 0.61 -6.02 5.00 0.00 -1.81 -3.37 103.07 98.81 2i9s h GLY 26 Ca -0.25 -0.35 -0.67 0.00 0.00 0.00 0.00 47.33 46.07 2i9s h GLY 26 CO 0.07 0.32 -0.83 -1.31 0.00 0.00 0.00 176.54 174.79 2i9s s ASN 27 N -6.71 3.40 0.00 0.19 0.01 -1.26 -5.00 114.94 105.56 2i9s s ASN 27 Ca -0.08 -0.56 0.00 0.00 -0.71 0.00 0.00 52.86 51.51 2i9s s ASN 27 Cb 0.16 -1.52 0.00 0.00 0.41 0.00 0.00 41.25 40.29 2i9s s ASN 27 CO 0.77 0.04 0.79 -0.81 -1.51 0.00 0.00 177.10 176.37 2i9s n PRO 28 N 4.35 0.83 0.00 -0.60 -0.04 -1.26 -4.23 135.00 134.06 2i9s n PRO 28 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 2i9s n PRO 28 Cb 0.51 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.85 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 0.53 0.00 1.31 0.52 -2.24 -1.26 -4.86 114.28 108.28 2i9s n THR 29 Ca 0.00 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.87 2i9s n THR 29 Cb 0.39 0.00 0.36 0.00 -2.10 0.00 0.00 70.33 68.99 2i9s n THR 29 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2i9s n GLU 30 N 0.00 1.61 -0.06 -0.78 1.02 -1.26 -2.32 120.64 118.85 2i9s n GLU 30 Ca 0.00 -0.93 -0.13 0.00 -0.02 0.00 0.00 57.16 56.08 2i9s n GLU 30 Cb 0.00 -1.35 -0.01 0.00 -0.02 0.00 0.00 31.44 30.06 2i9s n GLU 30 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2i9s h LYS 31 N 1.81 0.79 -0.09 3.49 3.11 -1.95 0.56 116.57 124.29 2i9s h LYS 31 Ca 0.00 -0.48 -0.21 0.00 -2.81 0.00 0.00 60.65 57.14 2i9s h LYS 31 Cb 0.40 0.05 0.01 0.00 -1.00 0.00 0.00 32.23 31.69 2i9s h LYS 31 CO 0.00 1.11 -0.78 1.49 -2.81 0.00 0.00 179.45 178.46 2i9s h GLU 32 N 0.62 0.69 -0.55 1.90 4.57 -1.74 -1.51 114.58 118.57 2i9s h GLU 32 Ca 0.02 -0.62 0.06 0.00 -1.18 0.00 0.00 59.36 57.65 2i9s h GLU 32 Cb 1.10 0.15 -0.09 0.00 -0.16 0.00 0.00 28.75 29.74 2i9s h GLU 32 CO 0.11 1.23 -0.54 1.15 -1.18 0.00 0.00 179.01 179.77 2i9s h THR 33 N 0.37 0.01 -0.40 0.32 2.02 -1.68 0.91 112.91 114.48 2i9s h THR 33 Ca -0.07 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 2i9s h THR 33 Cb 1.42 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 2i9s h THR 33 CO 0.16 0.00 0.22 1.05 0.37 0.00 0.00 175.52 177.32 2i9s h GLU 34 N -0.29 0.55 0.24 6.66 4.11 0.20 0.54 114.58 126.59 2i9s h GLU 34 Ca 0.11 -0.06 0.01 0.00 0.07 0.00 0.00 59.36 59.48 2i9s h GLU 34 Cb 0.56 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 2i9s h GLU 34 CO -0.68 0.44 -0.48 1.49 0.07 0.00 0.00 179.01 179.84 2i9s h GLU 35 N 0.51 -0.77 -0.21 1.06 4.57 -0.90 -1.48 114.58 117.36 2i9s h GLU 35 Ca 0.14 0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.33 2i9s h GLU 35 Cb 0.04 0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 2i9s h GLU 35 CO -0.02 -0.51 -0.04 0.82 -1.18 0.00 0.00 179.01 178.07 2i9s h ILE 36 N -0.80 1.28 0.24 2.32 5.03 -0.64 -1.57 117.51 123.36 2i9s h ILE 36 Ca -0.01 -1.01 -0.01 0.00 -0.12 0.00 0.00 64.86 63.71 2i9s h ILE 36 Cb 0.77 1.51 0.00 0.00 -3.03 0.00 0.00 36.82 36.07 2i9s h ILE 36 CO -0.20 0.31 -0.11 0.71 -0.68 0.00 0.00 178.15 178.17 2i9s h THR 37 N 0.14 0.81 -0.17 -0.27 1.35 0.21 0.24 112.91 115.22 2i9s h THR 37 Ca 0.06 -0.22 -0.10 0.00 -0.55 0.00 0.00 66.41 65.60 2i9s h THR 37 Cb 0.48 0.94 -0.00 0.00 -1.73 0.00 0.00 68.15 67.84 2i9s h THR 37 CO 0.02 0.05 -0.27 0.28 -0.25 0.00 0.00 175.52 175.35 2i9s h SER 38 N -0.43 0.54 -0.19 5.36 0.02 -1.35 0.18 113.55 117.68 2i9s h SER 38 Ca -0.03 -0.52 -0.12 0.00 -0.84 0.00 0.00 61.79 60.27 2i9s h SER 38 Cb 0.33 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.71 2i9s h SER 38 CO 0.05 0.96 -0.35 0.25 -1.14 0.00 0.00 176.83 176.60 2i9s h LEU 39 N 0.13 0.64 0.19 5.07 5.85 -1.26 -1.15 115.31 124.79 2i9s h LEU 39 Ca 0.02 -0.54 -0.01 0.00 0.84 0.00 0.00 57.88 58.19 2i9s h LEU 39 Cb 0.84 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.69 2i9s h LEU 39 CO 0.06 1.06 -0.09 -0.50 -0.34 0.00 0.00 178.44 178.63 2i9s h TRP 40 N 0.24 -0.24 0.00 1.25 6.55 -0.57 -1.66 115.95 121.52 2i9s h TRP 40 Ca 0.01 -0.01 -0.01 0.00 0.95 0.00 0.00 58.89 59.83 2i9s h TRP 40 Cb 0.94 0.08 -0.00 0.00 -0.86 0.00 0.00 29.16 29.32 2i9s h TRP 40 CO 0.09 -0.15 -0.06 -0.56 -1.05 0.00 0.00 178.44 176.71 2i9s h GLN 41 N -1.04 0.00 0.40 0.49 -0.00 -1.01 1.08 115.11 115.04 2i9s h GLN 41 Ca -0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.60 2i9s h GLN 41 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.68 2i9s h GLN 41 CO 0.04 0.06 -0.19 0.78 -0.00 0.00 0.00 178.83 179.52 2i9s h GLY 42 N 1.08 -0.56 2.00 0.06 0.00 -1.26 -1.05 103.07 103.33 2i9s h GLY 42 Ca -0.00 0.21 -0.08 0.00 0.00 0.00 0.00 47.33 47.46 2i9s h GLY 42 CO 0.01 -0.21 -0.38 1.48 0.00 0.00 0.00 176.54 177.44 2i9s h SER 43 N -0.58 0.00 -0.10 0.19 4.64 0.17 0.15 113.55 118.02 2i9s h SER 43 Ca -0.06 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 2i9s h SER 43 Cb 0.44 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 2i9s h SER 43 CO 0.09 0.38 0.03 -0.07 -0.87 0.00 0.00 176.83 176.39 2i9s h LEU 44 N 0.00 0.20 0.00 5.97 3.38 0.13 0.28 115.31 125.27 2i9s h LEU 44 Ca -0.00 -0.02 -0.26 0.00 0.09 0.00 0.00 57.88 57.69 2i9s h LEU 44 Cb 0.81 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.46 2i9s h LEU 44 CO 0.05 0.22 -1.78 0.33 0.09 0.00 0.00 178.44 177.35 2i9s n PHE 45 N -4.43 0.74 0.19 1.13 7.35 -0.42 -2.95 117.46 119.07 2i9s n PHE 45 Ca -0.01 0.26 0.04 0.00 -0.76 0.00 0.00 57.45 56.98 2i9s n PHE 45 Cb 0.14 -1.09 0.37 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 -0.37 -2.13 -1.24 0.23 -0.52 115.58 111.55 2i9s h ASN 46 Ca -0.29 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.72 2i9s h ASN 46 Cb 1.89 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.94 2i9s h ASN 46 CO 0.06 0.37 0.00 0.00 -1.29 0.00 0.00 177.43 176.57 2i9s n ALA 47 N -2.42 2.61 -3.98 1.57 0.00 0.89 -4.94 120.51 114.24 2i9s n ALA 47 Ca -0.02 -0.75 -0.27 0.00 0.00 0.00 0.00 53.44 52.41 2i9s n ALA 47 Cb 0.43 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.87 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 0.57 -0.73 -4.93 0.00 0.23 -0.20 -5.00 115.26 105.21 2i9s n ASN 48 Ca 0.13 -1.00 -0.26 0.00 -0.53 0.00 0.00 54.58 52.93 2i9s n ASN 48 Cb 0.42 -3.05 -0.01 0.00 -2.08 0.00 0.00 39.78 35.06 2i9s n ASN 48 CO 0.00 0.00 0.00 -0.31 -0.93 0.00 0.00 177.26 176.02 2i9s s TYR 49 N -3.88 3.52 -0.85 -2.53 2.02 -1.15 -5.01 117.35 109.47 2i9s s TYR 49 Ca 0.10 0.55 -0.13 0.00 -0.37 0.00 0.00 57.07 57.22 2i9s s TYR 49 Cb -0.05 -2.07 0.22 0.00 -0.40 0.00 0.00 41.96 39.66 2i9s s TYR 49 CO 0.89 -0.03 0.80 0.34 -1.57 0.00 0.00 175.55 175.98 2i9s s ASP 50 N -3.99 6.76 0.22 2.29 2.15 -1.26 -4.80 116.67 118.04 2i9s s ASP 50 Ca 0.43 -2.82 -0.08 0.00 0.43 0.00 0.00 52.55 50.51 2i9s s ASP 50 Cb -0.10 -2.19 -0.02 0.00 -0.30 0.00 0.00 42.92 40.31 2i9s s ASP 50 CO 0.39 -0.53 0.33 0.68 -0.17 0.00 0.00 175.17 175.87 2i9s s VAL 51 N -0.03 0.00 -0.08 1.11 -7.23 -1.26 -3.33 120.40 109.58 2i9s s VAL 51 Ca 0.19 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 58.71 2i9s s VAL 51 Cb -0.10 -2.31 0.02 0.00 0.56 0.00 0.00 36.38 34.55 2i9s s VAL 51 CO -0.09 -0.01 -0.06 -1.10 -0.31 0.00 0.00 175.10 173.53 2i9s s GLN 52 N -4.07 1.19 -0.03 4.82 -0.21 -0.28 -4.97 119.66 116.10 2i9s s GLN 52 Ca 0.29 -0.16 0.03 0.00 0.02 0.00 0.00 55.36 55.54 2i9s s GLN 52 Cb 0.03 -1.25 0.00 0.00 1.00 0.00 0.00 33.01 32.79 2i9s s GLN 52 CO 0.10 -0.19 -0.11 1.03 -2.12 0.00 0.00 175.29 174.00 2i9s s ARG 53 N 1.43 1.18 0.08 2.91 3.00 -1.26 0.43 118.95 126.72 2i9s s ARG 53 Ca -0.02 -0.38 0.03 0.00 0.00 0.00 0.00 55.73 55.37 2i9s s ARG 53 Cb -0.13 -1.07 -0.03 0.00 0.00 0.00 0.00 34.95 33.71 2i9s s ARG 53 CO -0.04 0.14 -0.10 -0.06 0.00 0.00 0.00 175.30 175.24 2i9s s PHE 54 N 0.18 0.95 -0.49 -0.53 0.08 -0.73 -4.92 117.98 112.51 2i9s s PHE 54 Ca -0.04 -0.60 -0.24 0.00 0.12 0.00 0.00 56.93 56.18 2i9s s PHE 54 Cb -0.10 -0.54 0.03 0.00 -0.57 0.00 0.00 43.02 41.85 2i9s s PHE 54 CO 0.01 -0.03 0.86 0.42 -0.10 0.00 0.00 175.22 176.38 2i9s s ILE 55 N -2.02 4.53 -0.28 0.64 1.01 -1.26 -0.76 121.20 123.06 2i9s s ILE 55 Ca -0.00 0.39 0.07 0.00 0.00 0.00 0.00 60.65 61.11 2i9s s ILE 55 Cb -0.06 -4.43 -0.08 0.00 0.01 0.00 0.00 42.46 37.91 2i9s s ILE 55 CO 0.00 -0.89 0.28 1.33 0.00 0.00 0.00 174.94 175.66 2i9s n VAL 56 N 6.20 0.00 0.00 2.92 0.24 -1.12 -5.02 118.33 121.55 2i9s n VAL 56 Ca 0.02 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 62.02 2i9s n VAL 56 Cb 0.48 0.88 0.00 0.00 -1.47 0.00 0.00 33.84 33.73 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 1.33 -0.42 3.60 7.63 0.00 -0.38 -4.91 105.19 112.04 2i9s n GLY 57 Ca 0.01 -1.07 -0.43 0.00 0.00 0.00 0.00 46.02 44.52 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 5.99 -0.14 1.61 0.01 -1.26 -1.06 113.70 118.86 2i9s s SER 58 Ca 0.00 1.36 0.00 0.00 1.31 0.00 0.00 55.95 58.62 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 -1.62 0.00 -0.67 0.41 0.00 0.00 173.24 171.36 2i9s n ASP 59 N 9.90 -3.22 -3.90 2.44 -0.08 -0.98 -4.87 116.55 115.84 2i9s n ASP 59 Ca 0.22 0.03 -0.22 0.00 -1.51 0.00 0.00 54.79 53.31 2i9s n ASP 59 Cb 0.46 -0.83 -0.17 0.00 2.34 0.00 0.00 41.12 42.93 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 -1.64 1.00 0.17 -0.67 3.00 -0.22 -0.02 118.95 120.57 2i9s s ARG 60 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 55.73 55.60 2i9s s ARG 60 Cb 0.00 -1.02 -0.04 0.00 0.00 0.00 0.00 34.95 33.89 2i9s s ARG 60 CO 0.00 -0.11 0.04 0.00 0.00 0.00 0.00 175.30 175.23 2i9s s ALA 61 N 1.09 1.18 0.06 2.13 0.00 0.58 -1.26 121.76 125.55 2i9s s ALA 61 Ca -0.08 -1.58 -0.06 0.00 0.00 0.00 0.00 51.96 50.24 2i9s s ALA 61 Cb -0.14 0.79 -0.01 0.00 0.00 0.00 0.00 23.12 23.76 2i9s s ALA 61 CO -0.01 -0.42 0.12 0.96 0.00 0.00 0.00 175.76 176.41 2i9s s ILE 62 N -3.86 0.15 -0.25 0.00 -4.36 0.06 -0.74 121.20 112.20 2i9s s ILE 62 Ca 0.27 -1.25 -0.01 0.00 -0.26 0.00 0.00 60.65 59.39 2i9s s ILE 62 Cb 0.07 -1.19 0.08 0.00 1.25 0.00 0.00 42.46 42.67 2i9s s ILE 62 CO 0.05 -0.69 0.05 0.72 0.24 0.00 0.00 174.94 175.31 2i9s s PHE 63 N -3.34 1.52 -0.55 1.37 -0.71 -0.55 -1.78 117.98 113.94 2i9s s PHE 63 Ca 0.01 -1.36 -0.20 0.00 -1.04 0.00 0.00 56.93 54.34 2i9s s PHE 63 Cb 0.03 -1.39 0.06 0.00 -1.21 0.00 0.00 43.02 40.51 2i9s s PHE 63 CO -0.08 -0.75 0.73 1.41 -1.34 0.00 0.00 175.22 175.20 2i9s s MET 64 N 1.69 3.15 0.07 1.99 1.75 0.17 -1.42 119.30 126.68 2i9s s MET 64 Ca 0.03 -0.84 -0.07 0.00 -1.25 0.00 0.00 55.69 53.55 2i9s s MET 64 Cb -0.17 -4.13 -0.05 0.00 2.84 0.00 0.00 34.83 33.31 2i9s s MET 64 CO -0.15 -1.39 0.33 -0.48 -0.65 0.00 0.00 175.02 172.68 2i9s s LEU 65 N 3.04 4.34 0.10 4.11 -0.00 0.05 -1.13 118.68 129.19 2i9s s LEU 65 Ca 0.18 0.63 0.00 0.00 -0.00 0.00 0.00 54.13 54.94 2i9s s LEU 65 Cb -0.19 -2.94 0.00 0.00 -0.00 0.00 0.00 46.19 43.06 2i9s s LEU 65 CO 0.12 0.17 0.00 -1.14 -0.00 0.00 0.00 176.35 175.50 2i9s n ARG 66 N 0.76 0.00 0.00 1.48 0.00 -1.21 -0.04 116.66 117.65 2i9s n ARG 66 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.77 2i9s n ARG 66 Cb 0.52 -0.48 0.00 0.00 0.00 0.00 0.00 32.46 32.51 2i9s n ARG 66 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2i9s n ASP 67 N -3.45 0.00 -2.32 6.15 9.92 -1.26 -2.98 116.55 122.60 2i9s n ASP 67 Ca 0.00 0.14 -0.20 0.00 -0.53 0.00 0.00 54.79 54.20 2i9s n ASP 67 Cb 0.04 -0.14 -0.02 0.00 -0.64 0.00 0.00 41.12 40.36 2i9s n ASP 67 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2i9s n GLY 68 N -1.12 -0.25 2.73 0.44 0.00 -1.26 -3.90 105.19 101.83 2i9s n GLY 68 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2i9s n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2i9s n SER 69 N -1.91 0.06 0.00 1.61 3.41 -1.26 -4.65 113.62 110.87 2i9s n SER 69 Ca -0.23 -2.28 0.00 0.00 -0.26 0.00 0.00 58.87 56.10 2i9s n SER 69 Cb 0.68 0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.74 2i9s n SER 69 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2i9s n TYR 70 N -0.80 0.00 0.05 7.33 0.18 -1.26 -5.04 117.16 117.62 2i9s n TYR 70 Ca -0.02 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.65 2i9s n TYR 70 Cb 0.84 0.01 -0.00 0.00 -0.38 0.00 0.00 39.34 39.81 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 0.51 0.00 -3.48 0.00 -1.99 -3.22 119.26 111.07 2i9s h ALA 71 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2i9s h ALA 71 Cb 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2i9s h ALA 71 CO 0.00 0.78 -0.46 0.91 0.00 0.00 0.00 179.25 180.48 2i9s n TRP 72 N -3.81 0.14 -0.04 0.00 8.01 -1.26 -1.04 117.44 119.45 2i9s n TRP 72 Ca -0.05 0.04 -0.14 0.00 -1.31 0.00 0.00 57.50 56.04 2i9s n TRP 72 Cb 0.75 -0.39 -0.02 0.00 -2.01 0.00 0.00 31.31 29.65 2i9s n TRP 72 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.69 178.17 2i9s h GLU 73 N 0.00 0.76 -0.49 -0.99 4.81 -1.93 -1.68 114.58 115.05 2i9s h GLU 73 Ca 0.00 -0.51 -0.07 0.00 -0.13 0.00 0.00 59.36 58.65 2i9s h GLU 73 Cb 0.56 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 2i9s h GLU 73 CO 0.00 1.14 0.04 0.82 -0.73 0.00 0.00 179.01 180.28 2i9s h ILE 74 N 0.56 1.24 -0.77 2.32 2.04 -1.28 -1.76 117.51 119.86 2i9s h ILE 74 Ca -0.00 -0.94 0.04 0.00 1.00 0.00 0.00 64.86 64.96 2i9s h ILE 74 Cb 1.20 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 38.05 2i9s h ILE 74 CO 0.13 0.34 0.48 0.50 0.00 0.00 0.00 178.15 179.59 2i9s h LYS 75 N 0.75 0.89 -0.36 2.37 3.64 -0.79 -0.77 116.57 122.31 2i9s h LYS 75 Ca 0.15 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.50 2i9s h LYS 75 Cb 0.40 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 2i9s h LYS 75 CO 0.01 0.59 0.19 0.22 -2.27 0.00 0.00 179.45 178.19 2i9s h ASP 76 N 0.92 0.28 -0.69 4.20 3.58 -0.53 -2.12 116.42 122.06 2i9s h ASP 76 Ca 0.32 0.01 0.07 0.00 0.42 0.00 0.00 57.03 57.86 2i9s h ASP 76 Cb 0.07 -0.04 -0.06 0.00 1.72 0.00 0.00 39.33 41.01 2i9s h ASP 76 CO -0.13 0.21 0.37 -0.26 -2.88 0.00 0.00 179.24 176.54 2i9s h PHE 77 N 0.38 0.67 0.01 0.28 0.04 -0.43 -1.42 116.94 116.47 2i9s h PHE 77 Ca 0.15 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.96 2i9s h PHE 77 Cb 0.05 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 37.97 2i9s h PHE 77 CO -0.09 0.29 -0.29 -0.07 -0.60 0.00 0.00 178.31 177.55 2i9s h LEU 78 N 0.66 -0.90 0.00 1.54 3.38 -0.62 0.24 115.31 119.61 2i9s h LEU 78 Ca 0.32 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.39 2i9s h LEU 78 Cb 0.25 0.34 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2i9s h LEU 78 CO -0.21 -0.29 0.00 1.33 0.09 0.00 0.00 178.44 179.36 2i9s n VAL 79 N -4.10 0.15 0.11 1.22 0.24 -0.85 0.73 118.33 115.83 2i9s n VAL 79 Ca -0.04 0.04 0.07 0.00 -2.04 0.00 0.00 64.34 62.37 2i9s n VAL 79 Cb 0.22 -0.61 0.02 0.00 -1.47 0.00 0.00 33.84 32.00 2i9s n VAL 79 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2i9s h SER 80 N 0.00 0.00 0.00 -1.34 0.02 -0.43 -3.39 113.55 108.41 2i9s h SER 80 Ca 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 2i9s h SER 80 Cb 0.24 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 2i9s h SER 80 CO 0.00 0.23 -1.20 0.00 -1.14 0.00 0.00 176.83 174.73 2i9s n GLN 81 N -2.91 1.75 -0.02 3.45 3.00 0.12 -4.71 117.38 118.07 2i9s n GLN 81 Ca -0.01 0.01 -0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2i9s n GLN 81 Cb 0.65 -1.07 0.00 0.00 0.00 0.00 0.00 30.24 29.82 2i9s n GLN 81 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 2i9s n ASP 82 N -2.36 2.03 0.00 1.08 5.75 0.22 -4.84 116.55 118.43 2i9s n ASP 82 Ca -0.05 -2.02 0.00 0.00 -0.01 0.00 0.00 54.79 52.71 2i9s n ASP 82 Cb 0.58 -0.50 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 2i9s n ASP 82 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 2i9s n ARG 83 N 0.24 0.00 0.00 0.11 0.63 -1.26 -2.02 116.66 114.36 2i9s n ARG 83 Ca 0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 2i9s n ARG 83 Cb 0.39 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.30 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 0.00 0.98 -3.70 0.00 0.00 -1.26 -4.95 120.51 111.58 2i9s n ALA 85 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 53.44 53.31 2i9s n ALA 85 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 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 -0.11 0.25 -0.20 0.00 2.12 -0.12 -5.00 118.70 115.63 2i9s s GLU 86 Ca 0.00 0.70 -0.03 0.00 0.36 0.00 0.00 54.97 55.99 2i9s s GLU 86 Cb 0.00 -0.03 -0.01 0.00 0.26 0.00 0.00 34.13 34.35 2i9s s GLU 86 CO 0.00 -0.20 -0.05 0.54 -0.54 0.00 0.00 175.26 175.01 2i9s s VAL 87 N 1.71 3.47 -0.24 3.70 0.11 -1.26 0.01 120.40 127.91 2i9s s VAL 87 Ca -0.06 -0.47 0.02 0.00 -2.93 0.00 0.00 61.98 58.53 2i9s s VAL 87 Cb -0.10 -2.56 0.06 0.00 -1.53 0.00 0.00 36.38 32.25 2i9s s VAL 87 CO -0.10 0.45 -0.08 0.42 -3.33 0.00 0.00 175.10 172.45 2i9s s THR 88 N 1.12 1.78 0.59 5.04 -4.23 0.54 -5.00 115.64 115.48 2i9s s THR 88 Ca 0.02 -1.35 -0.15 0.00 -1.18 0.00 0.00 61.69 59.02 2i9s s THR 88 Cb -0.15 -1.97 -0.04 0.00 1.34 0.00 0.00 72.50 71.69 2i9s s THR 88 CO -0.00 -0.04 1.04 -0.76 -0.54 0.00 0.00 174.62 174.31 2i9s s LEU 89 N 1.28 3.46 0.34 4.79 1.02 -1.26 -1.46 118.68 126.85 2i9s s LEU 89 Ca -0.07 1.70 -0.13 0.00 0.02 0.00 0.00 54.13 55.66 2i9s s LEU 89 Cb -0.19 -4.52 -0.08 0.00 0.02 0.00 0.00 46.19 41.42 2i9s s LEU 89 CO -0.06 -1.04 0.72 -0.70 0.02 0.00 0.00 176.35 175.29 2i9s s GLU 90 N -4.28 3.90 0.00 1.70 2.12 -1.00 -4.89 118.70 116.25 2i9s s GLU 90 Ca 0.61 0.54 0.00 0.00 0.36 0.00 0.00 54.97 56.48 2i9s s GLU 90 Cb -0.14 -2.45 0.00 0.00 0.26 0.00 0.00 34.13 31.81 2i9s s GLU 90 CO 0.39 0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.63 2i9s n GLY 91 N -0.67 0.19 3.37 -1.50 0.00 -1.26 -4.89 105.19 100.43 2i9s n GLY 91 Ca 0.03 -2.30 -0.34 0.00 0.00 0.00 0.00 46.02 43.41 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 -0.29 3.43 -0.20 1.61 2.00 -1.26 -4.92 119.66 120.03 2i9s s GLN 92 Ca 0.00 -0.63 -0.05 0.00 -2.00 0.00 0.00 55.36 52.67 2i9s s GLN 92 Cb 0.00 -2.82 0.02 0.00 0.80 0.00 0.00 33.01 31.01 2i9s s GLN 92 CO 0.00 0.07 0.10 0.00 -0.50 0.00 0.00 175.29 174.96 2i9s n MET 93 N 4.00 -3.43 -3.35 1.67 0.00 -1.26 -4.97 117.12 109.78 2i9s n MET 93 Ca -0.18 2.72 -0.40 0.00 0.00 0.00 0.00 57.70 59.85 2i9s n MET 93 Cb 0.52 -4.36 -0.09 0.00 0.00 0.00 0.00 33.22 29.29 2i9s n MET 93 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 2i9s s TYR 94 N -1.01 3.24 -0.34 3.17 2.02 -1.26 -4.95 117.35 118.21 2i9s s TYR 94 Ca -0.12 0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.98 2i9s s TYR 94 Cb 0.01 -2.64 0.00 0.00 -0.40 0.00 0.00 41.96 38.93 2i9s s TYR 94 CO 0.63 -0.28 0.78 -0.35 -1.57 0.00 0.00 175.55 174.77 2i9s n PRO 95 N 5.41 0.95 -3.04 -1.71 -0.04 -1.26 -3.97 135.00 131.34 2i9s n PRO 95 Ca -0.07 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.23 2i9s n PRO 95 Cb 0.50 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 2i9s n PRO 95 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2i9s n GLY 96 N 0.35 2.44 0.41 0.55 0.00 -1.26 -4.94 105.19 102.74 2i9s n GLY 96 Ca 0.00 -1.08 0.05 0.00 0.00 0.00 0.00 46.02 44.99 2i9s n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60