#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qjp n GLY 2 N 0.00 -0.61 3.43 0.00 0.00 -1.26 -5.12 105.19 101.63 2qjp n GLY 2 Ca 0.00 -0.99 -0.38 0.00 0.00 0.00 0.00 46.02 44.65 2qjp n GLY 2 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qjp s GLY 3 N 0.00 1.83 0.00 -0.02 0.00 -1.26 -4.77 107.32 103.09 2qjp s GLY 3 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 44.72 43.40 2qjp s GLY 3 CO 0.00 0.64 0.00 0.61 0.00 0.00 0.00 173.10 174.35 2qjp n GLY 4 N 4.95 1.14 3.20 0.20 0.00 -1.26 -4.85 105.19 108.57 2qjp n GLY 4 Ca -0.15 -1.67 -0.29 0.00 0.00 0.00 0.00 46.02 43.91 2qjp n GLY 4 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2qjp s HIS 5 N 1.11 2.12 0.27 1.61 5.04 -1.26 -4.47 115.29 119.71 2qjp s HIS 5 Ca 0.00 -0.67 0.11 0.00 -1.54 0.00 0.00 55.06 52.96 2qjp s HIS 5 Cb 0.00 -1.42 -0.05 0.00 0.04 0.00 0.00 32.58 31.16 2qjp s HIS 5 CO 0.00 -0.23 -0.12 0.14 -2.34 0.00 0.00 174.74 172.19 2qjp s VAL 6 N 0.04 2.88 0.09 0.89 -7.23 -1.26 -4.87 120.40 110.95 2qjp s VAL 6 Ca -0.07 -2.17 -0.31 0.00 -1.81 0.00 0.00 61.98 57.62 2qjp s VAL 6 Cb -0.14 -2.52 -0.08 0.00 0.56 0.00 0.00 36.38 34.21 2qjp s VAL 6 CO 0.04 -0.37 1.45 -1.61 -0.31 0.00 0.00 175.10 174.30 2qjp s GLU 7 N -3.51 4.28 -0.70 4.82 0.41 -1.26 -4.95 118.70 117.79 2qjp s GLU 7 Ca 0.30 2.13 -0.24 0.00 -0.41 0.00 0.00 54.97 56.74 2qjp s GLU 7 Cb -0.06 -3.35 0.05 0.00 -1.78 0.00 0.00 34.13 29.00 2qjp s GLU 7 CO 0.17 -0.53 1.10 0.34 -0.49 0.00 0.00 175.26 175.85 2qjp s ASP 8 N 1.45 6.17 -0.03 -0.19 -1.08 -1.26 -4.74 116.67 116.98 2qjp s ASP 8 Ca 0.66 -0.78 -0.16 0.00 -0.52 0.00 0.00 52.55 51.75 2qjp s ASP 8 Cb -0.37 -2.48 -0.05 0.00 -1.46 0.00 0.00 42.92 38.56 2qjp s ASP 8 CO 0.30 -1.60 0.44 -0.69 0.52 0.00 0.00 175.17 174.13 2qjp s VAL 9 N 4.75 5.06 -1.30 1.11 1.01 -1.26 -5.01 120.40 124.76 2qjp s VAL 9 Ca 0.28 0.90 -0.09 0.00 0.00 0.00 0.00 61.98 63.07 2qjp s VAL 9 Cb -0.13 -3.76 0.15 0.00 0.00 0.00 0.00 36.38 32.64 2qjp s VAL 9 CO 0.12 0.49 2.03 -0.81 0.00 0.00 0.00 175.10 176.93 2qjp n PRO 10 N 2.45 3.82 -1.62 2.72 -0.04 -1.26 -4.94 135.00 136.13 2qjp n PRO 10 Ca -0.11 -3.45 -0.37 0.00 -0.04 0.00 0.00 63.50 59.52 2qjp n PRO 10 Cb 0.52 -2.87 0.06 0.00 -0.04 0.00 0.00 33.50 31.17 2qjp n PRO 10 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2qjp n PHE 11 N 3.43 1.01 -0.22 0.54 3.72 -1.26 -4.92 117.46 119.76 2qjp n PHE 11 Ca 0.46 0.43 -0.01 0.00 -0.05 0.00 0.00 57.45 58.28 2qjp n PHE 11 Cb 0.33 -2.15 0.21 0.00 -0.94 0.00 0.00 39.48 36.93 2qjp n PHE 11 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2qjp h SER 12 N 0.39 0.89 0.84 4.37 4.64 -1.95 -3.13 113.55 119.60 2qjp h SER 12 Ca -0.49 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 2qjp h SER 12 Cb 1.36 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2qjp h SER 12 CO 0.51 0.70 0.00 2.22 -0.87 0.00 0.00 176.83 179.38 2qjp n PHE 13 N -4.38 0.30 -1.30 4.77 1.16 -1.11 -2.40 117.46 114.51 2qjp n PHE 13 Ca 0.08 0.10 -0.30 0.00 -1.87 0.00 0.00 57.45 55.45 2qjp n PHE 13 Cb 0.08 -0.67 0.11 0.00 -1.61 0.00 0.00 39.48 37.39 2qjp n PHE 13 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 2qjp s GLU 14 N -3.08 1.87 0.00 3.97 2.02 -1.19 -4.15 118.70 118.15 2qjp s GLU 14 Ca 0.09 0.93 0.00 0.00 0.02 0.00 0.00 54.97 56.01 2qjp s GLU 14 Cb 0.13 -1.87 0.00 0.00 0.10 0.00 0.00 34.13 32.49 2qjp s GLU 14 CO 0.42 -1.85 0.00 0.41 0.02 0.00 0.00 175.26 174.26 2qjp n GLY 15 N -1.36 -1.94 0.10 -1.39 0.00 -1.26 -2.50 105.19 96.83 2qjp n GLY 15 Ca 0.08 -1.37 0.07 0.00 0.00 0.00 0.00 46.02 44.79 2qjp n GLY 15 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qjp n PRO 16 N -0.89 0.08 -0.00 1.61 -0.04 -1.26 -1.32 135.00 133.18 2qjp n PRO 16 Ca 0.00 0.57 0.05 0.00 -0.04 0.00 0.00 63.50 64.08 2qjp n PRO 16 Cb 0.00 -1.82 -0.06 0.00 -0.04 0.00 0.00 33.50 31.58 2qjp n PRO 16 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2qjp n PHE 17 N -1.95 0.00 -1.14 0.54 3.72 -1.26 -4.93 117.46 112.44 2qjp n PHE 17 Ca -0.01 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.04 2qjp n PHE 17 Cb 0.06 -0.07 0.09 0.00 -0.94 0.00 0.00 39.48 38.62 2qjp n PHE 17 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qjp n GLY 18 N 1.46 -1.18 3.30 1.37 0.00 -0.43 -5.02 105.19 104.68 2qjp n GLY 18 Ca 0.01 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.44 2qjp n GLY 18 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qjp s THR 19 N -2.05 0.08 0.84 2.61 -4.23 -1.01 -4.79 115.64 107.09 2qjp s THR 19 Ca 0.66 -0.62 -0.10 0.00 -1.18 0.00 0.00 61.69 60.44 2qjp s THR 19 Cb -0.31 -1.16 0.10 0.00 1.34 0.00 0.00 72.50 72.47 2qjp s THR 19 CO 0.58 -0.34 1.11 -0.36 -0.54 0.00 0.00 174.62 175.06 2qjp s PHE 20 N -3.66 2.20 -0.44 3.99 0.08 -1.26 -2.73 117.98 116.16 2qjp s PHE 20 Ca 0.02 1.61 -0.07 0.00 0.12 0.00 0.00 56.93 58.61 2qjp s PHE 20 Cb 0.02 -3.16 0.11 0.00 -0.57 0.00 0.00 43.02 39.42 2qjp s PHE 20 CO -0.11 -2.23 0.28 0.34 -0.10 0.00 0.00 175.22 173.40 2qjp s ASP 21 N -3.13 5.56 0.30 1.36 -1.08 -1.26 -4.94 116.67 113.49 2qjp s ASP 21 Ca 0.63 -1.85 0.02 0.00 -0.52 0.00 0.00 52.55 50.84 2qjp s ASP 21 Cb -0.19 -1.95 0.75 0.00 -1.46 0.00 0.00 42.92 40.07 2qjp s ASP 21 CO 0.57 -0.62 1.58 -0.61 0.52 0.00 0.00 175.17 176.62 2qjp h GLN 22 N 8.33 0.03 -0.21 4.34 4.15 -1.92 0.11 115.11 129.95 2qjp h GLN 22 Ca -0.19 -0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.07 2qjp h GLN 22 Cb 1.07 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.74 2qjp h GLN 22 CO 0.79 0.02 -0.52 0.45 -1.93 0.00 0.00 178.83 177.64 2qjp h HIS 23 N 0.04 0.73 0.33 3.99 3.86 -1.92 -2.19 115.15 119.99 2qjp h HIS 23 Ca 0.59 -0.25 -0.01 0.00 -1.16 0.00 0.00 60.37 59.54 2qjp h HIS 23 Cb 1.23 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 29.56 2qjp h HIS 23 CO -0.45 0.99 -0.19 0.37 0.86 0.00 0.00 177.93 179.51 2qjp h GLN 24 N 0.46 -0.47 -0.78 2.45 4.15 -1.25 0.16 115.11 119.84 2qjp h GLN 24 Ca 0.02 0.03 0.14 0.00 0.77 0.00 0.00 58.65 59.61 2qjp h GLN 24 Cb 1.06 0.11 -0.05 0.00 0.21 0.00 0.00 27.48 28.81 2qjp h GLN 24 CO 0.10 -0.31 0.52 -0.07 -1.93 0.00 0.00 178.83 177.13 2qjp h LEU 25 N -0.49 0.47 -0.19 -2.39 3.38 -1.27 0.76 115.31 115.58 2qjp h LEU 25 Ca -0.04 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2qjp h LEU 25 Cb 0.40 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2qjp h LEU 25 CO 0.05 0.25 0.05 1.56 0.09 0.00 0.00 178.44 180.44 2qjp h GLN 26 N 0.50 0.30 -0.23 1.13 4.20 -0.60 0.20 115.11 120.60 2qjp h GLN 26 Ca 0.38 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 59.02 2qjp h GLN 26 Cb 0.77 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 2qjp h GLN 26 CO -0.14 0.42 0.13 0.00 -0.67 0.00 0.00 178.83 178.56 2qjp h ARG 27 N 0.12 0.33 -0.61 1.46 3.08 0.19 -2.51 114.38 116.45 2qjp h ARG 27 Ca 0.06 -0.04 0.09 0.00 0.07 0.00 0.00 59.98 60.16 2qjp h ARG 27 Cb 0.25 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.17 2qjp h ARG 27 CO -0.00 0.31 0.24 0.78 -1.07 0.00 0.00 179.97 180.23 2qjp h GLY 28 N 0.26 0.86 1.40 0.04 0.00 0.68 0.59 103.07 106.91 2qjp h GLY 28 Ca 0.08 -0.14 0.05 0.00 0.00 0.00 0.00 47.33 47.32 2qjp h GLY 28 CO -0.01 0.00 0.30 -2.00 0.00 0.00 0.00 176.54 174.83 2qjp h LEU 29 N 0.44 0.36 -0.22 3.11 5.85 -0.34 0.45 115.31 124.97 2qjp h LEU 29 Ca 0.30 -0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.84 2qjp h LEU 29 Cb 0.35 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.30 2qjp h LEU 29 CO -0.29 0.25 -0.57 -0.61 -0.34 0.00 0.00 178.44 176.88 2qjp h GLN 30 N 0.42 0.77 0.02 1.25 4.15 -0.51 -0.96 115.11 120.24 2qjp h GLN 30 Ca 0.19 -0.54 -0.00 0.00 0.77 0.00 0.00 58.65 59.07 2qjp h GLN 30 Cb 0.21 0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.99 2qjp h GLN 30 CO -0.05 1.16 -0.01 0.28 -1.93 0.00 0.00 178.83 178.29 2qjp h VAL 31 N 0.50 1.05 -0.47 2.39 2.07 -0.23 -0.56 116.25 121.00 2qjp h VAL 31 Ca -0.01 -0.19 0.06 0.00 0.82 0.00 0.00 66.70 67.38 2qjp h VAL 31 Cb 1.19 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 32.08 2qjp h VAL 31 CO 0.12 0.05 0.17 0.22 0.02 0.00 0.00 177.57 178.15 2qjp h TYR 32 N -0.11 0.30 -0.26 1.57 3.20 -0.94 0.92 116.97 121.64 2qjp h TYR 32 Ca -0.00 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 2qjp h TYR 32 Cb 0.10 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 2qjp h TYR 32 CO -0.05 0.10 0.07 1.15 -1.64 0.00 0.00 178.16 177.80 2qjp h THR 33 N 0.34 1.20 0.00 1.81 2.02 -0.91 0.17 112.91 117.55 2qjp h THR 33 Ca 0.22 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 66.74 2qjp h THR 33 Cb 0.22 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 2qjp h THR 33 CO -0.22 0.21 -0.47 -0.33 0.37 0.00 0.00 175.52 175.08 2qjp h GLU 34 N 0.25 0.00 0.00 6.66 5.08 -1.00 -3.41 114.58 122.16 2qjp h GLU 34 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2qjp h GLU 34 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2qjp h GLU 34 CO -0.00 0.00 0.00 0.28 -1.00 0.00 0.00 179.01 178.29 2qjp n VAL 35 N -2.29 0.00 0.15 3.13 0.31 0.31 -4.90 118.33 115.04 2qjp n VAL 35 Ca 0.03 0.05 -0.13 0.00 -0.01 0.00 0.00 64.34 64.28 2qjp n VAL 35 Cb 0.46 -0.86 -0.06 0.00 -0.91 0.00 0.00 33.84 32.46 2qjp n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qjp h ALA 37 N 0.21 2.31 -0.07 0.00 0.00 -0.81 0.40 119.26 121.30 2qjp h ALA 37 Ca 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2qjp h ALA 37 Cb 0.47 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2qjp h ALA 37 CO -0.08 -1.22 -0.04 0.00 0.00 0.00 0.00 179.25 177.91 2qjp h ALA 38 N 0.28 1.80 0.00 0.00 0.00 -1.80 -3.34 119.26 116.20 2qjp h ALA 38 Ca 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2qjp h ALA 38 Cb 2.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.98 2qjp h ALA 38 CO -0.00 0.16 -0.90 0.00 0.00 0.00 0.00 179.25 178.50 2qjp s HIS 40 N -1.90 3.43 0.48 0.00 3.76 -0.33 -1.41 115.29 119.32 2qjp s HIS 40 Ca 0.00 0.82 0.02 0.00 -0.15 0.00 0.00 55.06 55.75 2qjp s HIS 40 Cb 0.00 -2.22 -0.01 0.00 1.11 0.00 0.00 32.58 31.46 2qjp s HIS 40 CO 0.00 0.28 0.07 0.20 -0.85 0.00 0.00 174.74 174.44 2qjp s GLY 41 N -2.44 2.91 -0.38 -2.22 0.00 -1.26 -4.05 107.32 99.87 2qjp s GLY 41 Ca 0.46 -0.62 0.12 0.00 0.00 0.00 0.00 44.72 44.68 2qjp s GLY 41 CO 0.22 -2.03 0.91 1.03 0.00 0.00 0.00 173.10 173.23 2qjp n MET 42 N -1.13 1.03 0.26 2.90 2.00 -0.62 -1.49 117.12 120.07 2qjp n MET 42 Ca -0.14 -2.90 0.10 0.00 0.00 0.00 0.00 57.70 54.76 2qjp n MET 42 Cb 0.66 -1.33 0.41 0.00 0.00 0.00 0.00 33.22 32.96 2qjp n MET 42 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 175.97 177.54 2qjp h LYS 43 N 2.92 0.00 -0.32 0.03 2.10 -1.66 0.12 116.57 119.76 2qjp h LYS 43 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2qjp h LYS 43 Cb 1.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 2qjp h LYS 43 CO 0.37 0.00 0.00 1.19 -2.00 0.00 0.00 179.45 179.01 2qjp n PHE 44 N -2.81 0.40 -3.61 0.07 3.72 -1.26 -4.73 117.46 109.24 2qjp n PHE 44 Ca 0.02 -0.20 -0.40 0.00 -0.05 0.00 0.00 57.45 56.82 2qjp n PHE 44 Cb 0.78 -0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 39.21 2qjp n PHE 44 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2qjp s VAL 45 N -1.60 4.68 -0.07 -4.37 1.01 0.40 -5.03 120.40 115.42 2qjp s VAL 45 Ca 0.37 -0.63 -0.30 0.00 0.00 0.00 0.00 61.98 61.42 2qjp s VAL 45 Cb 0.22 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 2qjp s VAL 45 CO 0.31 -0.10 1.15 -2.16 0.00 0.00 0.00 175.10 174.31 2qjp s PRO 46 N 1.60 4.37 0.33 2.72 0.04 -1.26 -0.97 135.00 141.82 2qjp s PRO 46 Ca 0.04 1.61 0.09 0.00 0.04 0.00 0.00 61.00 62.77 2qjp s PRO 46 Cb -0.18 -3.55 0.84 0.00 0.04 0.00 0.00 34.50 31.64 2qjp s PRO 46 CO 0.07 -0.42 1.78 0.82 0.04 0.00 0.00 177.00 179.29 2qjp h ILE 47 N 5.03 0.67 0.00 0.56 2.04 -0.85 -0.20 117.51 124.76 2qjp h ILE 47 Ca -0.33 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.30 2qjp h ILE 47 Cb 1.16 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 2qjp h ILE 47 CO 0.87 0.12 0.02 -2.11 0.00 0.00 0.00 178.15 177.05 2qjp n ARG 48 N -4.73 0.02 0.00 2.37 1.85 0.12 -0.79 116.66 115.50 2qjp n ARG 48 Ca 0.23 0.51 0.14 0.00 -1.00 0.00 0.00 57.85 57.73 2qjp n ARG 48 Cb 0.64 -1.59 0.63 0.00 -1.05 0.00 0.00 32.46 31.09 2qjp n ARG 48 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2qjp n SER 49 N -1.60 0.10 0.13 2.89 3.41 -0.09 -2.65 113.62 115.81 2qjp n SER 49 Ca -0.00 0.11 0.11 0.00 -0.26 0.00 0.00 58.87 58.83 2qjp n SER 49 Cb 0.02 -0.32 0.49 0.00 -0.26 0.00 0.00 64.21 64.15 2qjp n SER 49 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2qjp n LEU 50 N -1.37 0.60 -0.08 1.04 4.77 0.03 -2.53 117.00 119.45 2qjp n LEU 50 Ca 0.10 0.67 -0.12 0.00 -0.03 0.00 0.00 56.01 56.63 2qjp n LEU 50 Cb 0.30 -0.62 -0.15 0.00 -2.33 0.00 0.00 43.42 40.62 2qjp n LEU 50 CO 0.26 -0.62 -1.02 -1.20 -1.33 0.00 0.00 177.39 173.48 2qjp n SER 51 N -2.19 0.72 -4.67 -1.43 7.64 -1.08 -0.69 113.62 111.92 2qjp n SER 51 Ca 0.01 0.09 -0.39 0.00 1.01 0.00 0.00 58.87 59.59 2qjp n SER 51 Cb 0.18 0.36 0.04 0.00 -1.01 0.00 0.00 64.21 63.78 2qjp n SER 51 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2qjp n GLU 52 N -2.97 1.41 -0.82 1.43 1.02 -1.05 -4.50 120.64 115.16 2qjp n GLU 52 Ca -0.32 0.52 -0.32 0.00 -0.02 0.00 0.00 57.16 57.02 2qjp n GLU 52 Cb 1.10 -2.33 0.14 0.00 -0.02 0.00 0.00 31.44 30.33 2qjp n GLU 52 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2qjp n PRO 53 N -0.67 -0.25 -1.00 3.49 -0.04 -1.26 -3.29 135.00 131.98 2qjp n PRO 53 Ca 0.11 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2qjp n PRO 53 Cb 0.44 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 2qjp n PRO 53 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qjp n GLY 54 N 0.71 0.57 0.00 0.55 0.00 -1.26 -4.98 105.19 100.78 2qjp n GLY 54 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2qjp n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qjp n GLY 55 N -2.84 5.50 0.31 -0.02 0.00 -1.21 -4.85 105.19 102.08 2qjp n GLY 55 Ca 0.00 -1.13 0.03 0.00 0.00 0.00 0.00 46.02 44.92 2qjp n GLY 55 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2qjp h PRO 56 N 0.00 0.59 -5.99 1.61 0.11 -1.82 -3.42 132.00 123.08 2qjp h PRO 56 Ca 0.00 -0.05 -0.41 0.00 0.11 0.00 0.00 66.00 65.64 2qjp h PRO 56 Cb 0.00 -0.12 0.08 0.00 0.11 0.00 0.00 31.00 31.07 2qjp h PRO 56 CO 0.00 0.43 -0.74 0.39 -0.21 0.00 0.00 178.00 177.87 2qjp n GLU 57 N -4.43 -6.58 -1.12 1.05 1.02 -0.76 -4.82 120.64 105.00 2qjp n GLU 57 Ca 0.03 0.73 -0.31 0.00 -0.02 0.00 0.00 57.16 57.59 2qjp n GLU 57 Cb 0.09 -5.66 0.11 0.00 -0.02 0.00 0.00 31.44 25.96 2qjp n GLU 57 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2qjp s LEU 58 N -7.05 3.00 0.14 -4.62 1.43 0.14 -4.89 118.68 106.83 2qjp s LEU 58 Ca 0.42 1.96 -0.30 0.00 -1.03 0.00 0.00 54.13 55.18 2qjp s LEU 58 Cb -0.20 -4.54 -0.07 0.00 0.03 0.00 0.00 46.19 41.41 2qjp s LEU 58 CO 0.77 -2.35 1.17 -2.84 0.23 0.00 0.00 176.35 173.33 2qjp s PRO 59 N -4.76 4.50 0.31 1.29 0.02 -1.26 -4.33 135.00 130.77 2qjp s PRO 59 Ca 0.63 1.79 0.12 0.00 0.02 0.00 0.00 61.00 63.57 2qjp s PRO 59 Cb -0.19 -3.29 1.02 0.00 0.02 0.00 0.00 34.50 32.06 2qjp s PRO 59 CO 0.56 -0.10 1.42 0.39 -0.33 0.00 0.00 177.00 178.94 2qjp n GLU 60 N 2.97 -0.06 0.18 5.54 1.02 -1.26 0.42 120.64 129.45 2qjp n GLU 60 Ca 0.05 1.28 0.04 0.00 -0.02 0.00 0.00 57.16 58.51 2qjp n GLU 60 Cb 0.46 -2.20 0.34 0.00 -0.02 0.00 0.00 31.44 30.02 2qjp n GLU 60 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 2qjp h ASP 61 N 0.00 0.00 0.25 1.62 2.03 -1.98 -0.02 116.42 118.32 2qjp h ASP 61 Ca 0.68 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.97 2qjp h ASP 61 Cb 1.69 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.19 2qjp h ASP 61 CO -0.75 0.41 -0.12 1.56 -1.03 0.00 0.00 179.24 179.31 2qjp h GLN 62 N 0.00 -0.32 -0.93 4.15 4.20 -0.41 -1.29 115.11 120.52 2qjp h GLN 62 Ca -0.00 0.02 0.17 0.00 0.06 0.00 0.00 58.65 58.90 2qjp h GLN 62 Cb 0.81 0.07 -0.10 0.00 0.30 0.00 0.00 27.48 28.56 2qjp h GLN 62 CO 0.05 0.03 0.52 0.28 -0.67 0.00 0.00 178.83 179.04 2qjp h VAL 63 N -0.74 0.70 -0.65 -0.54 2.07 -1.25 0.41 116.25 116.24 2qjp h VAL 63 Ca -0.03 -0.23 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 2qjp h VAL 63 Cb 0.50 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 2qjp h VAL 63 CO 0.06 0.12 0.13 -0.09 0.02 0.00 0.00 177.57 177.81 2qjp h ARG 64 N 0.68 1.06 -0.58 1.57 2.43 -0.90 -1.57 114.38 117.06 2qjp h ARG 64 Ca 0.53 -0.27 -0.10 0.00 -0.81 0.00 0.00 59.98 59.33 2qjp h ARG 64 Cb 0.80 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 2qjp h ARG 64 CO -0.38 0.97 -0.02 0.00 -1.51 0.00 0.00 179.97 179.02 2qjp h ALA 65 N 1.05 0.78 0.43 2.80 0.00 0.52 -3.22 119.26 121.62 2qjp h ALA 65 Ca 0.20 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2qjp h ALA 65 Cb 0.40 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2qjp h ALA 65 CO 0.01 0.64 -0.25 -0.92 0.00 0.00 0.00 179.25 178.72 2qjp h TYR 66 N 0.93 -0.67 0.00 0.00 3.20 0.02 -2.29 116.97 118.17 2qjp h TYR 66 Ca 0.16 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.02 2qjp h TYR 66 Cb 0.58 0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.08 2qjp h TYR 66 CO 0.04 -0.40 0.36 0.00 -1.64 0.00 0.00 178.16 176.53 2qjp h ALA 67 N -0.11 1.35 -0.17 1.82 0.00 -1.31 -2.39 119.26 118.44 2qjp h ALA 67 Ca -0.05 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.90 2qjp h ALA 67 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 2qjp h ALA 67 CO 0.06 -0.35 -0.09 1.15 0.00 0.00 0.00 179.25 180.03 2qjp h THR 68 N 0.00 0.72 0.00 0.00 2.02 -1.39 -0.61 112.91 113.65 2qjp h THR 68 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2qjp h THR 68 Cb 0.72 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 2qjp h THR 68 CO 0.00 0.00 0.04 0.00 0.37 0.00 0.00 175.52 175.93 2qjp n GLN 69 N -5.24 0.00 -3.86 6.66 10.64 -0.90 -3.77 117.38 120.91 2qjp n GLN 69 Ca -0.03 0.33 -0.37 0.00 -1.83 0.00 0.00 57.00 55.11 2qjp n GLN 69 Cb 0.16 -1.54 -0.06 0.00 -0.86 0.00 0.00 30.24 27.94 2qjp n GLN 69 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 2qjp s PHE 70 N -2.64 3.60 -0.21 2.61 0.08 -1.02 -5.00 117.98 115.40 2qjp s PHE 70 Ca 0.00 0.53 -0.09 0.00 0.12 0.00 0.00 56.93 57.49 2qjp s PHE 70 Cb 0.00 -1.95 -0.05 0.00 -0.57 0.00 0.00 43.02 40.46 2qjp s PHE 70 CO 0.00 0.72 0.12 0.99 -0.10 0.00 0.00 175.22 176.95 2qjp s THR 71 N -1.07 5.14 0.06 0.64 2.01 -1.26 -1.54 115.64 119.63 2qjp s THR 71 Ca 0.17 0.10 0.07 0.00 0.31 0.00 0.00 61.69 62.34 2qjp s THR 71 Cb -0.12 -3.36 -0.03 0.00 0.01 0.00 0.00 72.50 69.00 2qjp s THR 71 CO 0.06 0.41 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.51 2qjp s VAL 72 N 0.67 1.64 -0.40 3.82 1.01 -0.63 -4.93 120.40 121.57 2qjp s VAL 72 Ca 0.06 -1.30 -0.20 0.00 0.00 0.00 0.00 61.98 60.54 2qjp s VAL 72 Cb -0.12 -1.45 0.01 0.00 0.00 0.00 0.00 36.38 34.82 2qjp s VAL 72 CO 0.01 0.10 0.60 -0.89 0.00 0.00 0.00 175.10 174.92 2qjp s THR 73 N -0.93 4.90 1.07 3.92 2.01 -1.26 -1.05 115.64 124.30 2qjp s THR 73 Ca 0.07 0.20 -0.22 0.00 0.31 0.00 0.00 61.69 62.05 2qjp s THR 73 Cb -0.09 -4.12 -0.02 0.00 0.01 0.00 0.00 72.50 68.28 2qjp s THR 73 CO 0.03 -0.46 -0.57 -0.67 -0.69 0.00 0.00 174.62 172.26 2qjp n ASP 74 N 6.06 -2.74 -0.92 3.53 2.03 0.16 -4.91 116.55 119.76 2qjp n ASP 74 Ca -0.03 -0.05 0.07 0.00 0.52 0.00 0.00 54.79 55.31 2qjp n ASP 74 Cb 0.48 -0.80 0.24 0.00 -0.72 0.00 0.00 41.12 40.32 2qjp n ASP 74 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2qjp n GLU 75 N -0.23 3.08 0.05 -0.67 1.02 -1.26 -4.02 120.64 118.61 2qjp n GLU 75 Ca -0.00 -2.54 0.00 0.00 -0.02 0.00 0.00 57.16 54.60 2qjp n GLU 75 Cb 0.67 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 2qjp n GLU 75 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2qjp n GLU 76 N 0.19 0.00 0.33 3.49 1.02 -1.26 -4.85 120.64 119.56 2qjp n GLU 76 Ca 0.18 0.00 0.21 0.00 -0.02 0.00 0.00 57.16 57.54 2qjp n GLU 76 Cb 0.71 0.00 1.16 0.00 -0.02 0.00 0.00 31.44 33.29 2qjp n GLU 76 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2qjp h THR 77 N 0.00 0.10 0.00 2.62 2.02 -1.97 -3.44 112.91 112.24 2qjp h THR 77 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2qjp h THR 77 Cb 0.00 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 2qjp h THR 77 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 2qjp n GLY 78 N -1.13 0.60 0.00 2.16 0.00 -1.26 -4.88 105.19 100.68 2qjp n GLY 78 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2qjp n GLY 78 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qjp n GLU 79 N -1.82 0.44 -4.18 1.61 1.02 -1.26 -4.66 120.64 111.79 2qjp n GLU 79 Ca 0.00 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.87 2qjp n GLU 79 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.34 2qjp n GLU 79 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2qjp s ASP 80 N -1.00 4.88 0.34 1.62 1.11 -1.26 0.37 116.67 122.73 2qjp s ASP 80 Ca 0.00 -0.32 -0.18 0.00 0.18 0.00 0.00 52.55 52.23 2qjp s ASP 80 Cb 0.00 -1.08 0.05 0.00 1.07 0.00 0.00 42.92 42.95 2qjp s ASP 80 CO 0.00 0.11 0.79 0.00 1.18 0.00 0.00 175.17 177.25 2qjp s ARG 81 N -2.79 2.05 0.50 8.23 1.70 -0.21 -4.86 118.95 123.57 2qjp s ARG 81 Ca 0.27 -1.27 -0.18 0.00 -0.47 0.00 0.00 55.73 54.07 2qjp s ARG 81 Cb -0.10 0.60 -0.08 0.00 -0.57 0.00 0.00 34.95 34.80 2qjp s ARG 81 CO 0.19 -0.95 1.00 -1.21 -1.08 0.00 0.00 175.30 173.25 2qjp s GLU 82 N -2.71 3.85 0.15 3.89 2.02 -1.26 -1.60 118.70 123.04 2qjp s GLU 82 Ca 0.15 1.14 -0.31 0.00 0.02 0.00 0.00 54.97 55.97 2qjp s GLU 82 Cb -0.05 -2.11 -0.08 0.00 0.10 0.00 0.00 34.13 31.98 2qjp s GLU 82 CO 0.10 -0.37 1.35 0.20 0.02 0.00 0.00 175.26 176.56 2qjp s GLY 83 N -2.54 2.22 0.12 -1.39 0.00 -0.27 -4.77 107.32 100.70 2qjp s GLY 83 Ca 0.63 1.11 0.03 0.00 0.00 0.00 0.00 44.72 46.48 2qjp s GLY 83 CO 0.25 2.21 0.20 0.54 0.00 0.00 0.00 173.10 176.30 2qjp s LYS 84 N 0.51 3.22 0.32 2.90 1.02 -1.26 -3.28 119.74 123.17 2qjp s LYS 84 Ca 0.61 -0.65 0.22 0.00 0.02 0.00 0.00 55.97 56.16 2qjp s LYS 84 Cb -0.36 -2.86 1.17 0.00 -0.52 0.00 0.00 37.83 35.25 2qjp s LYS 84 CO 0.34 0.54 1.66 -2.30 -0.92 0.00 0.00 175.35 174.67 2qjp n PRO 85 N -0.16 0.14 0.00 -1.68 -0.02 -1.26 -0.58 135.00 131.44 2qjp n PRO 85 Ca -0.07 0.63 0.14 0.00 -2.02 0.00 0.00 63.50 62.18 2qjp n PRO 85 Cb 0.53 -1.96 0.66 0.00 -0.02 0.00 0.00 33.50 32.72 2qjp n PRO 85 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2qjp n THR 86 N -2.26 0.03 -2.70 3.45 -2.24 -1.26 0.11 114.28 109.42 2qjp n THR 86 Ca -0.01 0.01 -0.29 0.00 -2.27 0.00 0.00 64.05 61.48 2qjp n THR 86 Cb 0.04 -0.52 -0.02 0.00 -2.10 0.00 0.00 70.33 67.74 2qjp n THR 86 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2qjp s ASP 87 N -2.83 6.39 0.36 3.42 1.01 0.25 -4.84 116.67 120.44 2qjp s ASP 87 Ca 0.19 1.06 -0.02 0.00 0.71 0.00 0.00 52.55 54.49 2qjp s ASP 87 Cb 0.19 -2.30 -0.04 0.00 1.01 0.00 0.00 42.92 41.78 2qjp s ASP 87 CO 0.49 -0.51 0.61 -1.00 0.21 0.00 0.00 175.17 174.97 2qjp s HIS 88 N -2.59 3.51 0.78 4.23 3.76 -1.26 -0.48 115.29 123.24 2qjp s HIS 88 Ca 0.50 0.54 -0.14 0.00 -0.15 0.00 0.00 55.06 55.81 2qjp s HIS 88 Cb -0.10 -2.05 0.07 0.00 1.11 0.00 0.00 32.58 31.61 2qjp s HIS 88 CO 0.39 0.04 1.20 -0.06 -0.85 0.00 0.00 174.74 175.45 2qjp s PHE 89 N -2.35 1.94 0.99 1.40 0.40 -0.14 -4.78 117.98 115.43 2qjp s PHE 89 Ca 0.43 1.64 -0.13 0.00 -0.60 0.00 0.00 56.93 58.27 2qjp s PHE 89 Cb -0.10 -3.44 0.18 0.00 0.51 0.00 0.00 43.02 40.17 2qjp s PHE 89 CO 0.36 -2.68 1.12 -1.25 0.70 0.00 0.00 175.22 173.48 2qjp s PRO 90 N -4.11 0.52 0.67 0.24 0.04 -1.26 -3.79 135.00 127.32 2qjp s PRO 90 Ca 0.73 0.29 -0.13 0.00 0.04 0.00 0.00 61.00 61.93 2qjp s PRO 90 Cb -0.28 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.50 2qjp s PRO 90 CO 0.49 -2.62 1.08 -1.01 0.04 0.00 0.00 177.00 174.98 2qjp s HIS 91 N -3.15 2.80 0.16 0.56 3.76 -1.26 -1.59 115.29 116.57 2qjp s HIS 91 Ca 0.66 1.52 -0.34 0.00 -0.15 0.00 0.00 55.06 56.75 2qjp s HIS 91 Cb -0.15 -3.05 -0.14 0.00 1.11 0.00 0.00 32.58 30.35 2qjp s HIS 91 CO 0.55 -1.48 1.52 0.43 -0.85 0.00 0.00 174.74 174.91 2qjp n SER 92 N -2.70 2.86 0.03 1.40 7.64 -1.26 -4.44 113.62 117.16 2qjp n SER 92 Ca 0.09 1.10 -0.07 0.00 1.01 0.00 0.00 58.87 60.99 2qjp n SER 92 Cb 0.53 -1.40 0.10 0.00 -1.01 0.00 0.00 64.21 62.43 2qjp n SER 92 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qjp h ALA 93 N 5.50 0.80 -2.12 -0.43 0.00 -1.48 -3.41 119.26 118.13 2qjp h ALA 93 Ca -0.45 -0.50 -0.65 0.00 0.00 0.00 0.00 54.91 53.31 2qjp h ALA 93 Cb 1.27 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.82 2qjp h ALA 93 CO 0.86 0.68 0.20 -1.17 0.00 0.00 0.00 179.25 179.82 2qjp s LEU 94 N -8.27 4.46 0.21 0.00 2.96 -0.70 -4.96 118.68 112.38 2qjp s LEU 94 Ca -0.06 -0.34 -0.01 0.00 -0.22 0.00 0.00 54.13 53.49 2qjp s LEU 94 Cb 0.12 -2.76 0.47 0.00 0.50 0.00 0.00 46.19 44.51 2qjp s LEU 94 CO 0.82 -0.85 1.10 1.21 -1.32 0.00 0.00 176.35 177.31 2qjp n GLU 95 N 6.44 -0.06 -0.30 1.98 2.13 -1.26 0.23 120.64 129.80 2qjp n GLU 95 Ca -0.01 1.07 0.09 0.00 0.66 0.00 0.00 57.16 58.97 2qjp n GLU 95 Cb 0.48 -1.66 0.25 0.00 0.27 0.00 0.00 31.44 30.77 2qjp n GLU 95 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2qjp n ASN 96 N -5.02 3.07 -4.59 4.31 6.94 -1.26 -4.82 115.26 113.89 2qjp n ASN 96 Ca 0.15 -2.04 -0.42 0.00 -0.02 0.00 0.00 54.58 52.25 2qjp n ASN 96 Cb 0.48 -0.39 -0.05 0.00 -2.36 0.00 0.00 39.78 37.46 2qjp n ASN 96 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2qjp s ALA 97 N -1.32 3.44 0.85 -2.53 0.00 0.14 -5.02 121.76 117.32 2qjp s ALA 97 Ca 0.37 -0.62 -0.11 0.00 0.00 0.00 0.00 51.96 51.60 2qjp s ALA 97 Cb 0.20 -3.36 0.11 0.00 0.00 0.00 0.00 23.12 20.07 2qjp s ALA 97 CO 0.25 -1.45 1.16 -1.25 0.00 0.00 0.00 175.76 174.47 2qjp s PRO 98 N 3.09 1.43 0.17 0.00 0.04 -1.26 -4.76 135.00 133.70 2qjp s PRO 98 Ca 0.32 1.57 -0.30 0.00 0.04 0.00 0.00 61.00 62.62 2qjp s PRO 98 Cb -0.13 -1.77 -0.08 0.00 0.04 0.00 0.00 34.50 32.56 2qjp s PRO 98 CO 0.16 -2.33 1.19 0.34 0.04 0.00 0.00 177.00 176.40 2qjp s ASP 99 N -2.59 7.09 0.00 6.66 2.15 -1.26 -4.44 116.67 124.29 2qjp s ASP 99 Ca 0.68 2.20 0.26 0.00 0.43 0.00 0.00 52.55 56.12 2qjp s ASP 99 Cb -0.24 -2.60 0.68 0.00 -0.30 0.00 0.00 42.92 40.46 2qjp s ASP 99 CO 0.55 -0.38 1.53 0.18 -0.17 0.00 0.00 175.17 176.88 2qjp n LEU 100 N 2.70 1.99 -0.28 -1.34 4.77 -0.56 -4.28 117.00 120.01 2qjp n LEU 100 Ca 0.05 -0.66 0.08 0.00 -0.03 0.00 0.00 56.01 55.45 2qjp n LEU 100 Cb 0.45 -0.01 0.23 0.00 -2.33 0.00 0.00 43.42 41.76 2qjp n LEU 100 CO 0.56 0.34 1.01 0.28 -1.33 0.00 0.00 177.39 178.25 2qjp h SER 101 N 3.05 0.25 -0.05 -1.43 0.02 -1.88 -2.91 113.55 110.62 2qjp h SER 101 Ca 0.00 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2qjp h SER 101 Cb 0.68 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.35 2qjp h SER 101 CO 0.00 0.04 0.00 0.18 -1.14 0.00 0.00 176.83 175.91 2qjp n LEU 102 N -5.04 1.94 -0.34 5.07 4.77 -1.26 -3.13 117.00 119.00 2qjp n LEU 102 Ca 0.17 -1.78 0.20 0.00 -0.03 0.00 0.00 56.01 54.57 2qjp n LEU 102 Cb 0.51 -0.03 0.43 0.00 -2.33 0.00 0.00 43.42 42.00 2qjp n LEU 102 CO 0.15 0.48 1.18 -0.03 -1.33 0.00 0.00 177.39 177.84 2qjp h MET 103 N 0.35 0.49 0.00 3.23 4.05 -1.69 0.10 114.93 121.45 2qjp h MET 103 Ca 0.00 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 2qjp h MET 103 Cb 0.44 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.13 2qjp h MET 103 CO 0.00 0.32 0.00 0.00 0.23 0.00 0.00 176.91 177.46 2qjp n ALA 104 N -2.36 1.62 0.02 0.39 0.00 -1.26 -2.33 120.51 116.59 2qjp n ALA 104 Ca 0.27 -0.05 0.04 0.00 0.00 0.00 0.00 53.44 53.70 2qjp n ALA 104 Cb 0.81 -1.22 -0.05 0.00 0.00 0.00 0.00 19.45 18.99 2qjp n ALA 104 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2qjp n LYS 105 N -1.49 0.52 0.00 0.00 5.02 0.21 -3.79 118.16 118.64 2qjp n LYS 105 Ca 0.03 -0.06 0.12 0.00 -2.02 0.00 0.00 58.31 56.38 2qjp n LYS 105 Cb 0.15 -1.15 0.55 0.00 -0.02 0.00 0.00 35.03 34.57 2qjp n LYS 105 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qjp n ALA 106 N -1.71 2.15 -2.56 7.82 0.00 -0.34 -4.79 120.51 121.08 2qjp n ALA 106 Ca -0.01 -0.10 -0.22 0.00 0.00 0.00 0.00 53.44 53.11 2qjp n ALA 106 Cb 0.18 -1.39 -0.12 0.00 0.00 0.00 0.00 19.45 18.12 2qjp n ALA 106 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qjp s ARG 107 N -2.83 1.08 0.06 0.00 1.81 -1.18 -5.06 118.95 112.83 2qjp s ARG 107 Ca 0.16 -1.15 0.09 0.00 -1.72 0.00 0.00 55.73 53.11 2qjp s ARG 107 Cb 0.16 -1.25 -0.03 0.00 -0.45 0.00 0.00 34.95 33.37 2qjp s ARG 107 CO 0.41 0.28 -0.24 0.00 -0.68 0.00 0.00 175.30 175.07 2qjp s ALA 108 N -1.32 2.40 0.00 2.13 0.00 -1.24 -3.28 121.76 120.43 2qjp s ALA 108 Ca 0.06 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.73 2qjp s ALA 108 Cb -0.09 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.48 2qjp s ALA 108 CO 0.04 0.55 0.00 0.41 0.00 0.00 0.00 175.76 176.76 2qjp n GLY 109 N 1.52 0.04 3.17 0.00 0.00 0.45 -4.83 105.19 105.54 2qjp n GLY 109 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 2qjp n GLY 109 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qjp s PHE 110 N -1.82 3.75 -0.01 1.61 0.08 -1.24 -4.01 117.98 116.34 2qjp s PHE 110 Ca 0.00 -2.70 -0.16 0.00 0.12 0.00 0.00 56.93 54.19 2qjp s PHE 110 Cb 0.00 -3.40 -0.06 0.00 -0.57 0.00 0.00 43.02 38.99 2qjp s PHE 110 CO 0.00 -0.84 0.44 -1.01 -0.10 0.00 0.00 175.22 173.70 2qjp s HIS 111 N -0.65 3.70 0.00 0.36 3.76 -1.26 -4.34 115.29 116.85 2qjp s HIS 111 Ca 0.23 1.00 0.00 0.00 -0.15 0.00 0.00 55.06 56.14 2qjp s HIS 111 Cb -0.12 -2.36 0.00 0.00 1.11 0.00 0.00 32.58 31.21 2qjp s HIS 111 CO -0.08 0.56 0.00 0.41 -0.85 0.00 0.00 174.74 174.77 2qjp n GLY 112 N 2.07 -1.84 3.78 -2.22 0.00 -1.26 -4.89 105.19 100.82 2qjp n GLY 112 Ca -0.12 -1.95 -0.38 0.00 0.00 0.00 0.00 46.02 43.57 2qjp n GLY 112 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qjp s PRO 113 N 0.00 4.12 -0.85 1.61 0.04 -1.26 -1.66 135.00 137.00 2qjp s PRO 113 Ca 0.00 0.34 -0.03 0.00 0.04 0.00 0.00 61.00 61.35 2qjp s PRO 113 Cb 0.00 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.21 2qjp s PRO 113 CO 0.00 0.42 0.44 -0.12 0.04 0.00 0.00 177.00 177.78 2qjp n MET 114 N 2.80 -3.28 -0.51 4.56 0.00 -1.26 -2.65 117.12 116.77 2qjp n MET 114 Ca -0.11 0.50 0.00 0.00 0.00 0.00 0.00 57.70 58.09 2qjp n MET 114 Cb 0.52 -4.51 0.00 0.00 0.00 0.00 0.00 33.22 29.23 2qjp n MET 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2qjp n GLY 115 N -1.24 0.40 0.04 -5.12 0.00 -1.26 -4.78 105.19 93.24 2qjp n GLY 115 Ca -0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.09 2qjp n GLY 115 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2qjp n THR 116 N -2.00 0.53 -0.87 2.61 -1.04 -1.08 -4.89 114.28 107.54 2qjp n THR 116 Ca 0.00 0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 2qjp n THR 116 Cb 0.00 -0.77 0.00 0.00 -1.82 0.00 0.00 70.33 67.74 2qjp n THR 116 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qjp n GLY 117 N 0.79 0.00 0.32 3.41 0.00 -1.11 -4.76 105.19 103.84 2qjp n GLY 117 Ca 0.05 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.28 2qjp n GLY 117 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2qjp h ILE 118 N 0.00 0.07 -0.03 -0.61 2.04 -1.81 -1.37 117.51 115.80 2qjp h ILE 118 Ca 0.00 -0.10 -0.10 0.00 1.00 0.00 0.00 64.86 65.66 2qjp h ILE 118 Cb 0.86 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 2qjp h ILE 118 CO 0.00 0.01 -0.45 -1.28 0.00 0.00 0.00 178.15 176.42 2qjp h SER 119 N 0.00 0.08 0.62 1.72 0.87 -1.61 -3.10 113.55 112.12 2qjp h SER 119 Ca -0.00 -0.04 -0.27 0.00 -1.23 0.00 0.00 61.79 60.25 2qjp h SER 119 Cb 0.09 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 61.99 2qjp h SER 119 CO 0.00 0.53 -1.48 1.56 -0.53 0.00 0.00 176.83 176.91 2qjp h GLN 120 N 0.07 0.06 0.00 2.24 4.20 -1.41 0.53 115.11 120.79 2qjp h GLN 120 Ca 0.00 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.62 2qjp h GLN 120 Cb 0.83 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.64 2qjp h GLN 120 CO 0.06 0.78 0.12 -0.11 -0.67 0.00 0.00 178.83 179.02 2qjp n LEU 121 N -3.23 0.12 0.00 1.46 7.94 -1.08 -0.54 117.00 121.67 2qjp n LEU 121 Ca -0.12 0.46 0.00 0.00 -1.11 0.00 0.00 56.01 55.23 2qjp n LEU 121 Cb 1.02 -0.46 0.00 0.00 0.53 0.00 0.00 43.42 44.51 2qjp n LEU 121 CO 0.46 -0.50 -0.32 0.49 -1.11 0.00 0.00 177.39 176.41 2qjp n PHE 122 N -1.59 0.00 0.83 1.96 3.01 -1.23 -4.85 117.46 115.59 2qjp n PHE 122 Ca -0.00 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.58 2qjp n PHE 122 Cb 0.13 0.00 0.13 0.00 -0.01 0.00 0.00 39.48 39.73 2qjp n PHE 122 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2qjp n ASN 123 N -1.70 3.10 -0.04 4.37 3.02 0.18 -5.09 115.26 119.10 2qjp n ASN 123 Ca 0.00 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.56 2qjp n ASN 123 Cb 0.32 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.44 2qjp n ASN 123 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qjp n GLY 124 N 1.38 -0.79 0.03 7.41 0.00 0.29 -4.13 105.19 109.38 2qjp n GLY 124 Ca 0.15 -1.16 0.11 0.00 0.00 0.00 0.00 46.02 45.12 2qjp n GLY 124 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2qjp n ILE 125 N -0.09 0.16 -1.26 -0.61 2.08 -1.26 -4.38 119.36 114.00 2qjp n ILE 125 Ca 0.00 -0.28 -0.09 0.00 0.56 0.00 0.00 62.75 62.94 2qjp n ILE 125 Cb 0.00 0.21 -0.04 0.00 -0.75 0.00 0.00 39.64 39.06 2qjp n ILE 125 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2qjp n GLY 126 N 1.35 1.06 0.12 7.39 0.00 -1.26 0.17 105.19 114.02 2qjp n GLY 126 Ca 0.01 -0.50 -0.08 0.00 0.00 0.00 0.00 46.02 45.46 2qjp n GLY 126 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qjp h GLY 127 N 0.00 0.17 0.95 -0.02 0.00 -1.64 0.46 103.07 102.98 2qjp h GLY 127 Ca -0.18 0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.19 2qjp h GLY 127 CO 0.27 -0.09 0.11 -0.56 0.00 0.00 0.00 176.54 176.27 2qjp h PRO 128 N -0.00 0.68 -0.91 4.80 0.13 -1.89 -0.98 132.00 133.83 2qjp h PRO 128 Ca 0.11 -0.16 -0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2qjp h PRO 128 Cb 0.17 -0.09 -0.04 0.00 0.13 0.00 0.00 31.00 31.17 2qjp h PRO 128 CO -0.24 0.68 0.56 0.93 -0.23 0.00 0.00 178.00 179.71 2qjp h GLU 129 N 0.56 1.23 0.45 0.86 3.07 -1.79 0.12 114.58 119.07 2qjp h GLU 129 Ca 0.14 -0.10 -0.02 0.00 -0.50 0.00 0.00 59.36 58.88 2qjp h GLU 129 Cb 0.30 -0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 27.94 2qjp h GLU 129 CO -0.00 0.85 -0.28 -0.92 -1.40 0.00 0.00 179.01 177.25 2qjp h TYR 130 N 1.25 -0.75 -0.72 4.33 3.20 0.32 0.69 116.97 125.30 2qjp h TYR 130 Ca 0.33 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.28 2qjp h TYR 130 Cb -0.08 0.27 -0.07 0.00 1.54 0.00 0.00 36.73 38.39 2qjp h TYR 130 CO 0.00 -0.44 0.37 0.82 -1.64 0.00 0.00 178.16 177.28 2qjp h ILE 131 N -0.71 0.87 0.27 1.81 2.04 -0.72 -1.78 117.51 119.30 2qjp h ILE 131 Ca -0.05 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 2qjp h ILE 131 Cb 0.58 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 2qjp h ILE 131 CO 0.05 0.12 -0.41 0.22 0.00 0.00 0.00 178.15 178.13 2qjp h TYR 132 N 0.64 -1.15 -1.12 1.37 3.20 -0.33 -2.26 116.97 117.32 2qjp h TYR 132 Ca 0.35 0.02 0.32 0.00 3.14 0.00 0.00 58.73 62.56 2qjp h TYR 132 Cb 0.34 0.47 -0.05 0.00 1.54 0.00 0.00 36.73 39.03 2qjp h TYR 132 CO -0.10 -0.50 0.81 0.77 -1.64 0.00 0.00 178.16 177.49 2qjp h SER 133 N -0.71 0.02 0.22 -2.11 0.02 -0.30 0.12 113.55 110.80 2qjp h SER 133 Ca -0.03 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.70 2qjp h SER 133 Cb 0.65 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.19 2qjp h SER 133 CO -0.12 0.00 -0.87 0.58 -1.14 0.00 0.00 176.83 175.28 2qjp h VAL 134 N 0.02 1.37 -0.02 2.27 2.07 -0.77 0.35 116.25 121.53 2qjp h VAL 134 Ca 0.54 -2.28 -0.16 0.00 0.82 0.00 0.00 66.70 65.62 2qjp h VAL 134 Cb 2.13 2.27 -0.02 0.00 -1.52 0.00 0.00 31.29 34.15 2qjp h VAL 134 CO -0.02 0.69 -0.73 -0.07 0.02 0.00 0.00 177.57 177.46 2qjp h LEU 135 N 0.30 0.16 0.00 2.57 3.38 -0.49 -3.33 115.31 117.91 2qjp h LEU 135 Ca -0.07 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2qjp h LEU 135 Cb 1.49 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.19 2qjp h LEU 135 CO 0.16 0.84 0.00 0.41 0.09 0.00 0.00 178.44 179.93 2qjp n THR 136 N -3.74 0.00 0.00 0.22 -1.04 -0.09 -4.42 114.28 105.22 2qjp n THR 136 Ca -0.02 0.85 0.00 0.00 -2.04 0.00 0.00 64.05 62.84 2qjp n THR 136 Cb 0.71 -1.73 0.00 0.00 -1.82 0.00 0.00 70.33 67.49 2qjp n THR 136 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qjp n GLY 137 N 0.69 0.00 3.17 3.41 0.00 0.12 -4.66 105.19 107.92 2qjp n GLY 137 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2qjp n GLY 137 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qjp s PHE 138 N 0.00 3.60 0.48 1.61 0.08 -1.26 -1.40 117.98 121.09 2qjp s PHE 138 Ca 0.00 -2.57 -0.22 0.00 0.12 0.00 0.00 56.93 54.26 2qjp s PHE 138 Cb 0.00 -3.40 -0.07 0.00 -0.57 0.00 0.00 43.02 38.98 2qjp s PHE 138 CO 0.00 -0.87 1.16 -2.14 -0.10 0.00 0.00 175.22 173.27 2qjp s PRO 139 N -0.25 3.66 0.31 0.24 0.02 -1.26 -4.94 135.00 132.77 2qjp s PRO 139 Ca 0.19 1.74 0.05 0.00 0.02 0.00 0.00 61.00 63.00 2qjp s PRO 139 Cb -0.15 -2.31 0.52 0.00 0.02 0.00 0.00 34.50 32.58 2qjp s PRO 139 CO -0.06 -0.63 1.77 0.93 -0.33 0.00 0.00 177.00 178.68 2qjp h GLU 140 N 1.84 0.37 -5.25 5.54 5.08 -1.97 -3.42 114.58 116.77 2qjp h GLU 140 Ca -0.50 -0.13 -0.65 0.00 -1.00 0.00 0.00 59.36 57.08 2qjp h GLU 140 Cb 1.25 -0.03 -0.26 0.00 0.50 0.00 0.00 28.75 30.22 2qjp h GLU 140 CO 0.59 0.59 -0.73 -1.83 -1.00 0.00 0.00 179.01 176.64 2qjp s GLU 141 N -4.51 3.46 0.28 2.33 -1.05 -1.26 -5.10 118.70 112.85 2qjp s GLU 141 Ca -0.06 -0.63 -0.30 0.00 -0.15 0.00 0.00 54.97 53.83 2qjp s GLU 141 Cb 0.14 -2.78 -0.10 0.00 -0.44 0.00 0.00 34.13 30.95 2qjp s GLU 141 CO 0.77 0.14 1.45 -2.14 0.95 0.00 0.00 175.26 176.44 2qjp s PRO 142 N 0.56 4.24 0.29 -4.83 0.02 -1.26 -4.91 135.00 129.11 2qjp s PRO 142 Ca -0.06 2.36 -0.27 0.00 0.02 0.00 0.00 61.00 63.05 2qjp s PRO 142 Cb -0.15 -3.08 -0.14 0.00 0.02 0.00 0.00 34.50 31.15 2qjp s PRO 142 CO 0.03 -0.44 0.90 -0.35 -0.33 0.00 0.00 177.00 176.82 2qjp n PRO 143 N 1.97 1.09 -0.39 5.54 -0.04 -1.26 -4.73 135.00 137.18 2qjp n PRO 143 Ca 0.06 0.38 -0.04 0.00 -0.04 0.00 0.00 63.50 63.86 2qjp n PRO 143 Cb 0.40 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 2qjp n PRO 143 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2qjp h LYS 144 N 1.73 -0.00 -0.39 0.54 1.79 -2.00 -1.48 116.57 116.75 2qjp h LYS 144 Ca -0.38 0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.20 2qjp h LYS 144 Cb 1.36 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.99 2qjp h LYS 144 CO 0.59 -0.00 0.65 0.00 -1.08 0.00 0.00 179.45 179.61 2qjp n ALA 146 N -2.11 3.72 0.00 0.00 0.00 -0.56 -4.16 120.51 117.41 2qjp n ALA 146 Ca 0.08 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.98 2qjp n ALA 146 Cb 0.80 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.33 2qjp n ALA 146 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qjp n GLU 147 N -0.72 0.00 -0.14 0.00 -0.58 0.50 0.12 120.64 119.81 2qjp n GLU 147 Ca 0.08 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.92 2qjp n GLU 147 Cb 0.39 0.00 0.16 0.00 -0.57 0.00 0.00 31.44 31.42 2qjp n GLU 147 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qjp n GLY 148 N -0.33 4.77 1.30 0.62 0.00 -1.26 -4.73 105.19 105.56 2qjp n GLY 148 Ca 0.00 -1.13 -0.05 0.00 0.00 0.00 0.00 46.02 44.84 2qjp n GLY 148 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2qjp n HIS 149 N -1.29 1.01 -2.51 1.61 8.25 0.32 -5.05 115.22 117.56 2qjp n HIS 149 Ca 0.17 -1.69 -0.43 0.00 -0.26 0.00 0.00 57.72 55.51 2qjp n HIS 149 Cb 0.68 -0.27 -0.02 0.00 1.12 0.00 0.00 29.99 31.50 2qjp n HIS 149 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2qjp s GLU 150 N -3.09 4.05 -0.17 -0.41 2.02 -1.24 -4.59 118.70 115.26 2qjp s GLU 150 Ca 0.41 1.28 -0.37 0.00 0.02 0.00 0.00 54.97 56.31 2qjp s GLU 150 Cb 0.38 -3.79 -0.13 0.00 0.10 0.00 0.00 34.13 30.69 2qjp s GLU 150 CO -0.04 -0.93 1.82 -2.30 0.02 0.00 0.00 175.26 173.83 2qjp n PRO 151 N 6.96 1.73 -1.92 0.39 -0.02 -1.26 -4.84 135.00 136.04 2qjp n PRO 151 Ca 0.13 0.63 -0.41 0.00 -2.02 0.00 0.00 63.50 61.83 2qjp n PRO 151 Cb 0.46 -2.41 -0.02 0.00 -0.02 0.00 0.00 33.50 31.51 2qjp n PRO 151 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2qjp s ASP 152 N 3.83 6.54 0.00 2.55 2.15 -1.26 -2.13 116.67 128.36 2qjp s ASP 152 Ca 0.95 2.77 0.00 0.00 0.43 0.00 0.00 52.55 56.70 2qjp s ASP 152 Cb -0.86 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.14 2qjp s ASP 152 CO 0.58 -0.79 0.00 0.61 -0.17 0.00 0.00 175.17 175.40 2qjp n GLY 153 N 2.33 2.59 3.92 2.66 0.00 -1.26 -5.06 105.19 110.38 2qjp n GLY 153 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 2qjp n GLY 153 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qjp s PHE 154 N -2.59 1.86 -0.07 1.61 0.40 -0.90 -4.73 117.98 113.56 2qjp s PHE 154 Ca 0.00 -0.73 -0.06 0.00 -0.60 0.00 0.00 56.93 55.54 2qjp s PHE 154 Cb 0.00 -2.03 0.02 0.00 0.51 0.00 0.00 43.02 41.52 2qjp s PHE 154 CO 0.00 -0.51 0.18 0.71 0.70 0.00 0.00 175.22 176.30 2qjp s TYR 155 N -2.68 -0.20 0.22 0.36 1.51 -0.46 -4.92 117.35 111.19 2qjp s TYR 155 Ca 0.43 0.49 -0.30 0.00 -1.01 0.00 0.00 57.07 56.68 2qjp s TYR 155 Cb -0.03 0.06 -0.09 0.00 -0.11 0.00 0.00 41.96 41.80 2qjp s TYR 155 CO 0.26 -0.10 1.19 -0.47 -1.11 0.00 0.00 175.55 175.32 2qjp s TYR 156 N 0.16 3.42 -0.04 2.71 5.04 -1.26 -1.48 117.35 125.89 2qjp s TYR 156 Ca -0.01 1.48 -0.02 0.00 -2.44 0.00 0.00 57.07 56.08 2qjp s TYR 156 Cb -0.02 -3.43 0.03 0.00 0.35 0.00 0.00 41.96 38.89 2qjp s TYR 156 CO -0.00 -1.15 0.07 1.21 -1.34 0.00 0.00 175.55 174.33 2qjp s ASN 157 N -0.15 0.86 0.56 4.32 3.84 -0.21 -4.33 114.94 119.82 2qjp s ASN 157 Ca 0.51 0.11 0.26 0.00 0.21 0.00 0.00 52.86 53.94 2qjp s ASN 157 Cb -0.33 -0.07 1.62 0.00 -0.55 0.00 0.00 41.25 41.91 2qjp s ASN 157 CO 0.39 -0.22 2.20 0.03 -2.79 0.00 0.00 177.10 176.71 2qjp h ARG 158 N 8.19 0.00 0.00 0.43 3.08 -1.51 -1.63 114.38 122.94 2qjp h ARG 158 Ca -0.19 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.66 2qjp h ARG 158 Cb 1.12 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.14 2qjp h ARG 158 CO 0.22 0.03 -1.71 0.00 -1.07 0.00 0.00 179.97 177.44 2qjp n ALA 159 N -2.37 1.92 -2.10 0.04 0.00 -1.26 -3.30 120.51 113.44 2qjp n ALA 159 Ca -0.03 -0.72 -0.42 0.00 0.00 0.00 0.00 53.44 52.27 2qjp n ALA 159 Cb 0.11 -0.77 -0.03 0.00 0.00 0.00 0.00 19.45 18.77 2qjp n ALA 159 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2qjp s PHE 160 N -2.89 2.36 -1.05 0.00 5.36 -1.19 -4.85 117.98 115.73 2qjp s PHE 160 Ca -0.05 0.47 0.11 0.00 -0.96 0.00 0.00 56.93 56.50 2qjp s PHE 160 Cb 0.09 -3.81 0.27 0.00 -0.34 0.00 0.00 43.02 39.23 2qjp s PHE 160 CO 0.83 -3.23 1.18 1.04 -1.46 0.00 0.00 175.22 173.57 2qjp n GLN 161 N 6.44 2.41 -0.55 10.12 1.13 -1.26 -1.86 117.38 133.80 2qjp n GLN 161 Ca 0.16 -1.89 0.06 0.00 -1.94 0.00 0.00 57.00 53.39 2qjp n GLN 161 Cb 0.43 -1.26 0.14 0.00 0.11 0.00 0.00 30.24 29.66 2qjp n GLN 161 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2qjp n ASN 162 N 0.56 1.65 -4.96 1.08 3.02 -1.26 -4.01 115.26 111.34 2qjp n ASN 162 Ca 0.11 -3.21 -0.21 0.00 -0.03 0.00 0.00 54.58 51.24 2qjp n ASN 162 Cb 0.40 -0.44 0.01 0.00 -0.61 0.00 0.00 39.78 39.15 2qjp n ASN 162 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2qjp s GLY 163 N -2.75 2.03 0.51 7.41 0.00 -1.26 -5.02 107.32 108.24 2qjp s GLY 163 Ca 0.32 -1.79 -0.12 0.00 0.00 0.00 0.00 44.72 43.13 2qjp s GLY 163 CO -0.05 -1.71 0.92 -1.35 0.00 0.00 0.00 173.10 170.91 2qjp s SER 164 N -4.38 6.46 -0.03 1.64 1.04 -1.20 -4.55 113.70 112.67 2qjp s SER 164 Ca 0.50 1.35 0.00 0.00 0.48 0.00 0.00 55.95 58.29 2qjp s SER 164 Cb -0.05 -2.42 0.03 0.00 0.10 0.00 0.00 66.02 63.67 2qjp s SER 164 CO 0.31 -0.61 -0.01 -0.69 0.98 0.00 0.00 173.24 173.22 2qjp s VAL 165 N -2.71 0.24 0.29 5.02 1.01 -1.26 -1.62 120.40 121.36 2qjp s VAL 165 Ca 0.55 0.06 -0.28 0.00 0.00 0.00 0.00 61.98 62.31 2qjp s VAL 165 Cb -0.10 -0.33 -0.14 0.00 0.00 0.00 0.00 36.38 35.80 2qjp s VAL 165 CO 0.38 0.17 1.02 -2.65 0.00 0.00 0.00 175.10 174.02 2qjp n PRO 166 N 4.22 1.36 -0.31 2.72 -0.02 -1.26 -4.82 135.00 136.90 2qjp n PRO 166 Ca -0.24 0.48 0.17 0.00 -2.02 0.00 0.00 63.50 61.88 2qjp n PRO 166 Cb 0.50 -1.86 0.42 0.00 -0.02 0.00 0.00 33.50 32.54 2qjp n PRO 166 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2qjp h ASP 167 N 2.07 0.60 0.00 2.55 3.04 -1.96 0.62 116.42 123.34 2qjp h ASP 167 Ca -0.40 0.07 0.00 0.00 -3.24 0.00 0.00 57.03 53.47 2qjp h ASP 167 Cb 1.34 -0.03 0.00 0.00 -1.04 0.00 0.00 39.33 39.60 2qjp h ASP 167 CO 0.61 0.21 0.00 0.35 -2.04 0.00 0.00 179.24 178.37 2qjp n THR 168 N -4.64 0.00 -0.01 1.15 -2.24 -1.26 -1.50 114.28 105.78 2qjp n THR 168 Ca 0.22 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.00 2qjp n THR 168 Cb 0.66 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 2qjp n THR 168 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qjp s LYS 170 N -0.79 2.68 0.35 0.00 1.02 -0.56 0.17 119.74 122.60 2qjp s LYS 170 Ca 0.00 -1.26 0.00 0.00 0.02 0.00 0.00 55.97 54.73 2qjp s LYS 170 Cb 0.00 -2.41 0.07 0.00 -0.52 0.00 0.00 37.83 34.97 2qjp s LYS 170 CO 0.00 0.26 0.48 -0.40 -0.92 0.00 0.00 175.35 174.76 2qjp n ASP 171 N -1.19 0.67 -0.31 2.83 5.68 0.33 -4.80 116.55 119.76 2qjp n ASP 171 Ca -0.05 -1.56 0.21 0.00 -0.50 0.00 0.00 54.79 52.89 2qjp n ASP 171 Cb 0.59 -0.31 0.50 0.00 -1.14 0.00 0.00 41.12 40.77 2qjp n ASP 171 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qjp h ALA 172 N -0.48 2.21 -0.50 2.12 0.00 -2.00 -0.32 119.26 120.29 2qjp h ALA 172 Ca -0.16 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2qjp h ALA 172 Cb 0.59 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2qjp h ALA 172 CO 0.17 -0.58 0.00 0.09 0.00 0.00 0.00 179.25 178.93 2qjp n ASN 173 N -4.60 2.86 0.00 0.00 3.02 -1.26 -4.94 115.26 110.34 2qjp n ASN 173 Ca 0.24 -2.06 0.00 0.00 -0.03 0.00 0.00 54.58 52.73 2qjp n ASN 173 Cb 0.82 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 2qjp n ASN 173 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qjp n GLY 174 N 1.23 3.26 3.70 7.41 0.00 -0.13 -5.05 105.19 115.62 2qjp n GLY 174 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 2qjp n GLY 174 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qjp s VAL 175 N -2.27 2.22 0.19 1.61 1.01 -1.26 -4.50 120.40 117.39 2qjp s VAL 175 Ca 0.00 0.09 -0.18 0.00 0.00 0.00 0.00 61.98 61.89 2qjp s VAL 175 Cb 0.00 -2.42 -0.08 0.00 0.00 0.00 0.00 36.38 33.89 2qjp s VAL 175 CO 0.00 -0.08 0.65 -1.59 0.00 0.00 0.00 175.10 174.08 2qjp s LYS 176 N -4.30 4.14 -0.06 2.72 -2.85 -1.26 0.12 119.74 118.25 2qjp s LYS 176 Ca 0.70 0.72 -0.26 0.00 -1.00 0.00 0.00 55.97 56.13 2qjp s LYS 176 Cb -0.26 -2.92 -0.22 0.00 -2.06 0.00 0.00 37.83 32.37 2qjp s LYS 176 CO 0.52 0.44 1.06 1.15 0.10 0.00 0.00 175.35 178.62 2qjp h THR 177 N 2.80 1.55 -3.86 3.79 2.02 0.13 -3.45 112.91 115.89 2qjp h THR 177 Ca -0.48 -1.73 -0.55 0.00 0.77 0.00 0.00 66.41 64.42 2qjp h THR 177 Cb 1.19 2.67 0.18 0.00 -1.74 0.00 0.00 68.15 70.45 2qjp h THR 177 CO 0.65 0.46 0.13 0.35 0.37 0.00 0.00 175.52 177.49 2qjp n THR 178 N -4.66 2.57 0.09 3.16 -2.24 -1.26 -4.95 114.28 106.99 2qjp n THR 178 Ca -0.09 -0.33 -0.12 0.00 -2.27 0.00 0.00 64.05 61.24 2qjp n THR 178 Cb 0.40 -1.11 -0.08 0.00 -2.10 0.00 0.00 70.33 67.44 2qjp n THR 178 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qjp h ALA 179 N -0.43 0.31 -3.00 6.98 0.00 -1.90 -3.46 119.26 117.75 2qjp h ALA 179 Ca -0.47 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 53.64 2qjp h ALA 179 Cb 1.32 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2qjp h ALA 179 CO 0.46 0.96 0.00 0.41 0.00 0.00 0.00 179.25 181.08 2qjp n GLY 180 N 1.20 3.84 2.24 0.00 0.00 -1.21 -4.80 105.19 106.46 2qjp n GLY 180 Ca -0.06 -1.70 -0.02 0.00 0.00 0.00 0.00 46.02 44.25 2qjp n GLY 180 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qjp n SER 181 N 0.00 -1.03 -4.60 1.61 3.41 -0.62 -4.86 113.62 107.53 2qjp n SER 181 Ca 0.00 -1.55 -0.40 0.00 -0.26 0.00 0.00 58.87 56.67 2qjp n SER 181 Cb 0.00 1.67 -0.08 0.00 -0.26 0.00 0.00 64.21 65.54 2qjp n SER 181 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 2qjp s TRP 182 N -3.79 3.24 0.13 7.33 0.51 -0.64 -1.05 118.94 124.67 2qjp s TRP 182 Ca 0.13 0.46 0.03 0.00 -2.12 0.00 0.00 56.10 54.60 2qjp s TRP 182 Cb -0.02 -2.68 -0.04 0.00 -0.81 0.00 0.00 33.47 29.92 2qjp s TRP 182 CO 0.03 -0.30 0.18 -1.50 -0.51 0.00 0.00 176.95 174.85 2qjp s ILE 183 N 2.21 4.88 -2.24 2.03 2.07 -0.55 -3.27 121.20 126.34 2qjp s ILE 183 Ca 0.18 -0.80 0.30 0.00 -1.41 0.00 0.00 60.65 58.92 2qjp s ILE 183 Cb -0.16 -3.45 0.74 0.00 0.13 0.00 0.00 42.46 39.71 2qjp s ILE 183 CO 0.10 -0.02 1.99 0.00 -1.91 0.00 0.00 174.94 175.11 2qjp n ALA 184 N -0.15 2.63 -2.52 1.50 0.00 -1.26 -1.35 120.51 119.36 2qjp n ALA 184 Ca -0.07 -0.32 -0.43 0.00 0.00 0.00 0.00 53.44 52.62 2qjp n ALA 184 Cb 0.53 -1.35 -0.07 0.00 0.00 0.00 0.00 19.45 18.56 2qjp n ALA 184 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2qjp s MET 185 N -2.00 3.33 0.67 0.00 0.00 -1.26 -4.91 119.30 115.13 2qjp s MET 185 Ca 0.43 -0.39 -0.17 0.00 0.00 0.00 0.00 55.69 55.56 2qjp s MET 185 Cb 0.21 -3.92 0.00 0.00 0.00 0.00 0.00 34.83 31.13 2qjp s MET 185 CO 0.35 -0.89 1.21 -1.25 0.00 0.00 0.00 175.02 174.44 2qjp s PRO 186 N 2.59 2.53 0.10 4.11 0.04 -1.26 -4.79 135.00 138.32 2qjp s PRO 186 Ca 0.20 1.80 -0.36 0.00 0.04 0.00 0.00 61.00 62.68 2qjp s PRO 186 Cb -0.15 -1.88 -0.17 0.00 0.04 0.00 0.00 34.50 32.35 2qjp s PRO 186 CO 0.17 -1.55 1.32 -2.30 0.04 0.00 0.00 177.00 174.68 2qjp n PRO 187 N -2.20 1.16 -0.06 0.56 -0.02 -1.26 -4.89 135.00 128.29 2qjp n PRO 187 Ca 0.14 0.42 -0.04 0.00 -2.02 0.00 0.00 63.50 62.00 2qjp n PRO 187 Cb 0.50 -2.04 -0.16 0.00 -0.02 0.00 0.00 33.50 31.78 2qjp n PRO 187 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2qjp n PRO 188 N 2.43 0.68 -3.62 0.52 -0.04 -1.26 -4.94 135.00 128.76 2qjp n PRO 188 Ca 0.18 -0.03 -0.39 0.00 -0.04 0.00 0.00 63.50 63.22 2qjp n PRO 188 Cb 0.20 -1.55 -0.11 0.00 -0.04 0.00 0.00 33.50 32.00 2qjp n PRO 188 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2qjp s LEU 189 N -5.28 4.23 0.09 1.53 1.43 -1.26 -5.01 118.68 114.41 2qjp s LEU 189 Ca -0.09 -0.49 0.05 0.00 -1.03 0.00 0.00 54.13 52.57 2qjp s LEU 189 Cb 0.08 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 2qjp s LEU 189 CO 0.85 -0.21 -0.03 -0.04 0.23 0.00 0.00 176.35 177.16 2qjp s MET 190 N 1.65 2.44 0.29 1.70 -1.94 -1.26 -4.88 119.30 117.30 2qjp s MET 190 Ca 0.05 -0.88 -0.30 0.00 -1.71 0.00 0.00 55.69 52.85 2qjp s MET 190 Cb -0.17 -2.48 -0.13 0.00 2.01 0.00 0.00 34.83 34.06 2qjp s MET 190 CO 0.08 0.53 1.43 -0.25 -0.01 0.00 0.00 175.02 176.79 2qjp n ASP 191 N 0.61 3.07 -3.96 3.03 9.92 -1.26 -2.83 116.55 125.12 2qjp n ASP 191 Ca -0.11 1.16 -0.39 0.00 -0.53 0.00 0.00 54.79 54.92 2qjp n ASP 191 Cb 0.52 -1.49 0.01 0.00 -0.64 0.00 0.00 41.12 39.52 2qjp n ASP 191 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2qjp n ASP 192 N 1.72 -3.69 0.04 -2.24 8.00 0.30 -4.85 116.55 115.82 2qjp n ASP 192 Ca 0.09 -1.18 0.11 0.00 0.71 0.00 0.00 54.79 54.51 2qjp n ASP 192 Cb 0.34 -2.33 -0.06 0.00 -0.02 0.00 0.00 41.12 39.05 2qjp n ASP 192 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2qjp n LEU 193 N -4.68 0.48 -4.20 0.64 7.94 -1.13 -4.82 117.00 111.23 2qjp n LEU 193 Ca -0.14 0.07 -0.32 0.00 -1.11 0.00 0.00 56.01 54.51 2qjp n LEU 193 Cb 0.60 -0.05 -0.17 0.00 0.53 0.00 0.00 43.42 44.33 2qjp n LEU 193 CO 0.73 -0.04 -0.55 -0.69 -1.11 0.00 0.00 177.39 175.73 2qjp s VAL 194 N -3.36 2.06 -0.95 1.96 1.01 -1.26 -5.06 120.40 114.81 2qjp s VAL 194 Ca -0.02 -1.00 -0.20 0.00 0.00 0.00 0.00 61.98 60.76 2qjp s VAL 194 Cb 0.13 -1.80 0.11 0.00 0.00 0.00 0.00 36.38 34.81 2qjp s VAL 194 CO 0.84 0.56 1.22 -1.61 0.00 0.00 0.00 175.10 176.10 2qjp s GLU 195 N 0.56 3.58 0.74 2.72 0.41 -1.26 -4.75 118.70 120.69 2qjp s GLU 195 Ca -0.13 -1.54 -0.15 0.00 -0.41 0.00 0.00 54.97 52.73 2qjp s GLU 195 Cb -0.17 -5.02 0.04 0.00 -1.78 0.00 0.00 34.13 27.20 2qjp s GLU 195 CO 0.04 -1.90 1.21 0.66 -0.49 0.00 0.00 175.26 174.78 2qjp n TYR 196 N 7.27 1.46 0.06 1.61 4.01 -1.26 -4.97 117.16 125.34 2qjp n TYR 196 Ca 0.26 0.41 -0.03 0.00 -0.16 0.00 0.00 57.90 58.38 2qjp n TYR 196 Cb 0.50 -2.17 -0.01 0.00 -0.31 0.00 0.00 39.34 37.35 2qjp n TYR 196 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2qjp h ALA 197 N -0.27 -0.44 0.00 -0.72 0.00 -1.95 -3.26 119.26 112.62 2qjp h ALA 197 Ca -0.48 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2qjp h ALA 197 Cb 1.32 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2qjp h ALA 197 CO 0.49 -0.43 0.00 -0.40 0.00 0.00 0.00 179.25 178.91 2qjp n ASP 198 N -2.96 0.29 0.00 0.00 5.75 -1.26 -4.77 116.55 113.61 2qjp n ASP 198 Ca -0.02 -0.66 0.00 0.00 -0.01 0.00 0.00 54.79 54.10 2qjp n ASP 198 Cb 0.07 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 2qjp n ASP 198 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qjp n GLY 199 N 0.27 2.24 0.49 6.12 0.00 -1.23 -4.96 105.19 108.12 2qjp n GLY 199 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 2qjp n GLY 199 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2qjp n HIS 200 N -0.63 -0.32 -2.16 1.61 -0.00 -1.26 -4.75 115.22 107.71 2qjp n HIS 200 Ca 0.00 0.09 -0.41 0.00 -0.00 0.00 0.00 57.72 57.40 2qjp n HIS 200 Cb 0.00 -0.26 -0.03 0.00 -0.00 0.00 0.00 29.99 29.70 2qjp n HIS 200 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.34 176.50 2qjp s ASP 201 N -0.15 6.83 -0.69 0.26 -4.77 -1.26 -4.62 116.67 112.28 2qjp s ASP 201 Ca 0.09 2.49 0.01 0.00 -3.30 0.00 0.00 52.55 51.83 2qjp s ASP 201 Cb -0.09 -2.62 0.38 0.00 -1.09 0.00 0.00 42.92 39.50 2qjp s ASP 201 CO 0.09 -0.57 1.68 0.00 0.70 0.00 0.00 175.17 177.08 2qjp n ALA 202 N 2.43 5.97 -1.78 2.11 0.00 -1.26 -4.62 120.51 123.35 2qjp n ALA 202 Ca 0.06 -4.17 -0.39 0.00 0.00 0.00 0.00 53.44 48.94 2qjp n ALA 202 Cb 0.42 -1.44 -0.06 0.00 0.00 0.00 0.00 19.45 18.37 2qjp n ALA 202 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2qjp s SER 203 N -2.04 7.55 0.37 0.00 1.04 -1.26 0.11 113.70 119.47 2qjp s SER 203 Ca 0.51 1.89 0.20 0.00 0.48 0.00 0.00 55.95 59.04 2qjp s SER 203 Cb 0.43 -2.59 1.33 0.00 0.10 0.00 0.00 66.02 65.29 2qjp s SER 203 CO -0.32 0.11 1.58 0.58 0.98 0.00 0.00 173.24 176.18 2qjp h VAL 204 N 3.04 0.01 0.68 5.02 2.07 -1.90 0.50 116.25 125.67 2qjp h VAL 204 Ca -0.46 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 2qjp h VAL 204 Cb 1.20 -0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2qjp h VAL 204 CO 0.67 0.00 -0.42 -0.74 0.02 0.00 0.00 177.57 177.10 2qjp h HIS 205 N 0.01 -1.11 0.25 1.57 -0.00 -1.96 -1.21 115.15 112.68 2qjp h HIS 205 Ca 0.84 -0.01 0.01 0.00 -0.00 0.00 0.00 60.37 61.21 2qjp h HIS 205 Cb 2.21 0.40 -0.03 0.00 -0.00 0.00 0.00 27.41 29.98 2qjp h HIS 205 CO -0.02 -0.63 -0.39 0.00 -0.00 0.00 0.00 177.93 176.88 2qjp h ALA 206 N -0.82 -0.77 -0.13 5.26 0.00 -0.38 0.11 119.26 122.52 2qjp h ALA 206 Ca -0.09 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.77 2qjp h ALA 206 Cb 0.84 0.61 -0.07 0.00 0.00 0.00 0.00 17.79 19.18 2qjp h ALA 206 CO 0.09 -0.99 -0.40 0.52 0.00 0.00 0.00 179.25 178.47 2qjp h MET 207 N -0.71 -0.45 -0.72 0.00 2.86 -1.23 0.29 114.93 114.97 2qjp h MET 207 Ca -0.00 0.03 0.16 0.00 -2.06 0.00 0.00 59.70 57.82 2qjp h MET 207 Cb 0.69 0.10 -0.11 0.00 0.06 0.00 0.00 31.60 32.34 2qjp h MET 207 CO -0.15 -0.30 0.12 0.00 1.06 0.00 0.00 176.91 177.63 2qjp h ALA 208 N 0.18 0.86 -0.17 6.32 0.00 -0.95 0.12 119.26 125.63 2qjp h ALA 208 Ca 0.08 0.18 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 2qjp h ALA 208 Cb 0.61 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2qjp h ALA 208 CO -0.39 -0.37 -0.38 1.49 0.00 0.00 0.00 179.25 179.61 2qjp h GLU 209 N 0.21 0.37 0.45 0.00 4.81 0.48 -2.40 114.58 118.51 2qjp h GLU 209 Ca 0.40 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 2qjp h GLU 209 Cb 0.68 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.06 2qjp h GLU 209 CO -0.54 0.70 -0.22 -0.44 -0.73 0.00 0.00 179.01 177.78 2qjp h ASP 210 N 0.31 -0.51 -1.05 1.04 3.32 0.16 -2.95 116.42 116.74 2qjp h ASP 210 Ca 0.03 0.02 0.30 0.00 0.02 0.00 0.00 57.03 57.40 2qjp h ASP 210 Cb 0.81 0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.45 2qjp h ASP 210 CO 0.06 -0.13 0.78 1.62 -1.72 0.00 0.00 179.24 179.85 2qjp h VAL 211 N -1.07 0.44 0.08 -1.35 3.04 -0.92 0.20 116.25 116.67 2qjp h VAL 211 Ca -0.06 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.62 2qjp h VAL 211 Cb 0.46 0.45 0.00 0.00 -2.01 0.00 0.00 31.29 30.20 2qjp h VAL 211 CO 0.10 0.00 -0.04 0.28 -1.01 0.00 0.00 177.57 176.90 2qjp h SER 212 N 0.00 -0.09 -0.87 3.17 0.02 -1.42 -1.34 113.55 113.01 2qjp h SER 212 Ca 0.50 -0.28 0.04 0.00 -0.84 0.00 0.00 61.79 61.21 2qjp h SER 212 Cb 2.05 0.02 -0.05 0.00 0.14 0.00 0.00 62.40 64.56 2qjp h SER 212 CO -0.01 0.23 0.57 0.00 -1.14 0.00 0.00 176.83 176.49 2qjp h ALA 213 N 0.45 1.47 0.30 3.77 0.00 -0.48 0.16 119.26 124.93 2qjp h ALA 213 Ca -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2qjp h ALA 213 Cb 0.37 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2qjp h ALA 213 CO 0.02 0.44 -0.24 0.35 0.00 0.00 0.00 179.25 179.82 2qjp h PHE 214 N 1.08 -0.65 -0.06 0.00 3.57 -1.09 -0.96 116.94 118.83 2qjp h PHE 214 Ca 0.35 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.86 2qjp h PHE 214 Cb 0.05 0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 2qjp h PHE 214 CO -0.00 -0.37 0.04 -0.07 -2.23 0.00 0.00 178.31 175.68 2qjp h LEU 215 N -0.56 0.01 -0.67 0.59 3.38 -0.34 0.37 115.31 118.09 2qjp h LEU 215 Ca -0.02 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 2qjp h LEU 215 Cb 0.49 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2qjp h LEU 215 CO -0.02 0.01 -0.17 -0.03 0.09 0.00 0.00 178.44 178.32 2qjp h MET 216 N 0.01 0.85 -0.20 1.13 4.05 0.18 -1.99 114.93 118.96 2qjp h MET 216 Ca 0.03 -0.32 -0.15 0.00 -0.28 0.00 0.00 59.70 58.97 2qjp h MET 216 Cb 0.09 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 30.84 2qjp h MET 216 CO -0.00 0.96 -0.47 2.35 0.23 0.00 0.00 176.91 179.97 2qjp h TRP 217 N 0.75 0.86 -0.05 1.39 7.01 0.40 -0.81 115.95 125.50 2qjp h TRP 217 Ca 0.11 -0.33 0.01 0.00 2.11 0.00 0.00 58.89 60.80 2qjp h TRP 217 Cb 0.69 -0.15 -0.00 0.00 -2.10 0.00 0.00 29.16 27.60 2qjp h TRP 217 CO 0.04 1.11 0.10 0.00 -2.79 0.00 0.00 178.44 176.90 2qjp h ALA 218 N 0.59 1.38 0.01 2.65 0.00 -0.15 0.46 119.26 124.20 2qjp h ALA 218 Ca -0.00 -0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.54 2qjp h ALA 218 Cb 1.09 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 2qjp h ALA 218 CO 0.10 -0.13 -2.28 0.00 0.00 0.00 0.00 179.25 176.95 2qjp n ALA 219 N -2.17 1.44 -2.48 0.00 0.00 -0.77 -4.60 120.51 111.92 2qjp n ALA 219 Ca -0.02 -1.14 -0.22 0.00 0.00 0.00 0.00 53.44 52.07 2qjp n ALA 219 Cb 0.18 -0.30 0.01 0.00 0.00 0.00 0.00 19.45 19.34 2qjp n ALA 219 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qjp n GLU 220 N -2.98 2.91 -0.54 0.00 -0.58 -0.32 -4.92 120.64 114.21 2qjp n GLU 220 Ca -0.34 -4.18 0.45 0.00 -0.42 0.00 0.00 57.16 52.67 2qjp n GLU 220 Cb 1.09 -2.02 0.77 0.00 -0.57 0.00 0.00 31.44 30.71 2qjp n GLU 220 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2qjp h PRO 221 N 2.62 0.02 -0.93 3.49 0.13 -0.35 0.64 132.00 137.63 2qjp h PRO 221 Ca 0.21 -0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 65.02 2qjp h PRO 221 Cb 1.05 -0.01 -0.19 0.00 0.13 0.00 0.00 31.00 31.99 2qjp h PRO 221 CO 0.74 0.01 0.41 1.63 -0.23 0.00 0.00 178.00 180.57 2qjp n LYS 222 N -4.14 2.43 0.33 0.86 4.76 -1.26 -4.56 118.16 116.58 2qjp n LYS 222 Ca 0.37 -2.39 -0.17 0.00 -2.87 0.00 0.00 58.31 53.25 2qjp n LYS 222 Cb 1.67 -1.96 -0.09 0.00 -1.84 0.00 0.00 35.03 32.80 2qjp n LYS 222 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2qjp h LEU 223 N 1.46 -0.67 -0.76 -0.35 6.46 -0.05 0.14 115.31 121.55 2qjp h LEU 223 Ca 0.39 0.02 0.01 0.00 -0.12 0.00 0.00 57.88 58.19 2qjp h LEU 223 Cb 2.30 0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 42.37 2qjp h LEU 223 CO 0.77 -0.48 0.50 0.24 -0.62 0.00 0.00 178.44 178.85 2qjp h MET 224 N -0.79 0.98 -0.34 1.25 2.86 -1.82 -0.81 114.93 116.27 2qjp h MET 224 Ca -0.08 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.54 2qjp h MET 224 Cb 0.60 -0.22 -0.04 0.00 0.06 0.00 0.00 31.60 32.00 2qjp h MET 224 CO 0.13 0.65 0.10 0.00 1.06 0.00 0.00 176.91 178.85 2qjp h ALA 225 N 1.28 0.39 -0.18 6.32 0.00 -1.80 -0.36 119.26 124.91 2qjp h ALA 225 Ca 0.28 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.27 2qjp h ALA 225 Cb -0.10 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2qjp h ALA 225 CO -0.07 -0.30 0.02 -0.09 0.00 0.00 0.00 179.25 178.82 2qjp h ARG 226 N 0.24 0.08 -0.72 0.00 2.43 -0.18 0.14 114.38 116.37 2qjp h ARG 226 Ca 0.16 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.27 2qjp h ARG 226 Cb 0.15 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 2qjp h ARG 226 CO -0.18 0.06 0.23 0.87 -1.51 0.00 0.00 179.97 179.43 2qjp h LYS 227 N 0.09 1.11 -0.12 0.20 1.57 -0.78 0.78 116.57 119.42 2qjp h LYS 227 Ca 0.08 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2qjp h LYS 227 Cb 0.09 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2qjp h LYS 227 CO -0.12 0.95 0.06 1.96 -0.57 0.00 0.00 179.45 181.73 2qjp h GLN 228 N 1.06 0.18 -0.62 3.15 4.20 -0.75 0.89 115.11 123.21 2qjp h GLN 228 Ca 0.23 -0.03 0.08 0.00 0.06 0.00 0.00 58.65 58.99 2qjp h GLN 228 Cb 0.30 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 27.99 2qjp h GLN 228 CO -0.01 0.23 0.29 0.00 -0.67 0.00 0.00 178.83 178.67 2qjp h ALA 229 N 0.94 0.82 0.61 3.87 0.00 -0.35 0.17 119.26 125.32 2qjp h ALA 229 Ca 0.04 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2qjp h ALA 229 Cb 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2qjp h ALA 229 CO -0.01 -0.09 -0.31 0.78 0.00 0.00 0.00 179.25 179.62 2qjp h GLY 230 N 0.52 -0.89 0.36 0.00 0.00 0.15 -0.99 103.07 102.23 2qjp h GLY 230 Ca 0.30 0.34 0.07 0.00 0.00 0.00 0.00 47.33 48.04 2qjp h GLY 230 CO -0.24 -0.32 -0.02 -2.75 0.00 0.00 0.00 176.54 173.21 2qjp h PHE 231 N -0.85 -0.05 -0.01 5.60 3.04 0.13 -0.05 116.94 124.74 2qjp h PHE 231 Ca -0.08 0.03 0.03 0.00 3.98 0.00 0.00 57.97 61.93 2qjp h PHE 231 Cb 0.66 0.08 -0.05 0.00 2.56 0.00 0.00 35.95 39.20 2qjp h PHE 231 CO -0.05 -0.09 -0.35 1.15 -2.02 0.00 0.00 178.31 176.95 2qjp h THR 232 N 0.08 0.26 -0.57 4.41 2.02 -0.54 -1.51 112.91 117.06 2qjp h THR 232 Ca 0.19 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.44 2qjp h THR 232 Cb 0.27 0.26 -0.06 0.00 -1.74 0.00 0.00 68.15 66.87 2qjp h THR 232 CO -0.33 0.00 0.25 0.00 0.37 0.00 0.00 175.52 175.81 2qjp h ALA 233 N 0.19 0.74 -0.89 6.16 0.00 -0.63 -0.99 119.26 123.84 2qjp h ALA 233 Ca 0.06 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.08 2qjp h ALA 233 Cb 0.59 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 2qjp h ALA 233 CO -0.29 -0.14 0.58 0.28 0.00 0.00 0.00 179.25 179.68 2qjp h VAL 234 N 0.46 1.10 0.40 0.00 2.07 -0.55 -2.27 116.25 117.46 2qjp h VAL 234 Ca 0.28 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 2qjp h VAL 234 Cb 0.28 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 2qjp h VAL 234 CO -0.24 0.19 -0.19 0.24 0.02 0.00 0.00 177.57 177.59 2qjp h MET 235 N 1.05 -0.51 -0.50 1.57 2.86 -0.18 0.17 114.93 119.40 2qjp h MET 235 Ca 0.37 0.04 0.05 0.00 -2.06 0.00 0.00 59.70 58.10 2qjp h MET 235 Cb 0.12 0.12 -0.09 0.00 0.06 0.00 0.00 31.60 31.81 2qjp h MET 235 CO -0.13 -0.22 -0.55 0.74 1.06 0.00 0.00 176.91 177.81 2qjp h PHE 236 N -0.79 -1.70 -0.75 -0.22 -1.00 -1.21 -1.71 116.94 109.55 2qjp h PHE 236 Ca -0.05 0.09 0.09 0.00 2.81 0.00 0.00 57.97 60.91 2qjp h PHE 236 Cb 0.53 0.81 -0.07 0.00 3.61 0.00 0.00 35.95 40.83 2qjp h PHE 236 CO 0.01 -0.46 0.40 -0.07 -1.61 0.00 0.00 178.31 176.58 2qjp h LEU 237 N -0.32 0.55 -0.12 1.54 3.38 -1.38 0.60 115.31 119.55 2qjp h LEU 237 Ca 0.08 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2qjp h LEU 237 Cb 0.55 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2qjp h LEU 237 CO -0.64 0.31 0.07 0.74 0.09 0.00 0.00 178.44 179.01 2qjp h THR 238 N 0.68 1.01 0.33 0.22 2.02 0.00 0.48 112.91 117.66 2qjp h THR 238 Ca 0.37 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.48 2qjp h THR 238 Cb 0.36 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 2qjp h THR 238 CO -0.26 0.03 -0.16 0.58 0.37 0.00 0.00 175.52 176.08 2qjp h VAL 239 N 0.15 0.69 -0.83 3.16 2.07 -0.76 -2.25 116.25 118.48 2qjp h VAL 239 Ca 0.05 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.50 2qjp h VAL 239 Cb -0.00 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 2qjp h VAL 239 CO -0.02 0.03 0.54 0.25 0.02 0.00 0.00 177.57 178.39 2qjp h LEU 240 N -0.52 0.81 0.04 2.57 5.85 0.38 -1.85 115.31 122.60 2qjp h LEU 240 Ca -0.05 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 2qjp h LEU 240 Cb 0.39 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.25 2qjp h LEU 240 CO 0.07 0.53 -0.02 0.28 -0.34 0.00 0.00 178.44 178.96 2qjp h SER 241 N 0.93 -0.04 -0.38 1.25 0.02 0.16 -1.39 113.55 114.10 2qjp h SER 241 Ca 0.35 -0.06 0.06 0.00 -0.84 0.00 0.00 61.79 61.31 2qjp h SER 241 Cb 0.21 0.01 -0.05 0.00 0.14 0.00 0.00 62.40 62.71 2qjp h SER 241 CO -0.13 0.03 0.08 0.58 -1.14 0.00 0.00 176.83 176.25 2qjp h VAL 242 N -0.11 0.81 0.48 2.27 2.07 -0.78 0.45 116.25 121.44 2qjp h VAL 242 Ca -0.01 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 2qjp h VAL 242 Cb 0.10 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2qjp h VAL 242 CO 0.01 0.04 -0.25 -0.07 0.02 0.00 0.00 177.57 177.31 2qjp h LEU 243 N 0.21 -0.62 -1.53 2.57 3.38 -1.25 -0.89 115.31 117.18 2qjp h LEU 243 Ca 0.18 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.23 2qjp h LEU 243 Cb 0.21 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2qjp h LEU 243 CO -0.23 -0.42 0.38 -0.07 0.09 0.00 0.00 178.44 178.19 2qjp h LEU 244 N -0.68 0.51 -0.52 1.67 3.38 -0.97 0.49 115.31 119.19 2qjp h LEU 244 Ca -0.06 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 2qjp h LEU 244 Cb 0.53 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2qjp h LEU 244 CO 0.09 0.34 0.11 0.22 0.09 0.00 0.00 178.44 179.29 2qjp h TYR 245 N 0.58 0.89 -0.17 1.13 3.20 0.32 0.19 116.97 123.11 2qjp h TYR 245 Ca 0.24 -0.11 -0.20 0.00 3.14 0.00 0.00 58.73 61.80 2qjp h TYR 245 Cb 0.22 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.25 2qjp h TYR 245 CO -0.00 0.79 -0.70 -0.07 -1.64 0.00 0.00 178.16 176.54 2qjp h LEU 246 N 0.73 0.83 -0.61 2.82 3.38 0.06 -0.35 115.31 122.18 2qjp h LEU 246 Ca 0.16 -0.51 -0.04 0.00 0.09 0.00 0.00 57.88 57.57 2qjp h LEU 246 Cb 0.36 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2qjp h LEU 246 CO 0.00 1.29 0.21 0.74 0.09 0.00 0.00 178.44 180.78 2qjp h THR 247 N 0.51 1.24 -0.19 0.22 2.02 0.09 0.10 112.91 116.90 2qjp h THR 247 Ca -0.03 -0.79 -0.04 0.00 0.77 0.00 0.00 66.41 66.32 2qjp h THR 247 Cb 1.30 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 2qjp h THR 247 CO 0.14 0.30 -0.05 -1.13 0.37 0.00 0.00 175.52 175.16 2qjp h ASN 248 N 0.86 0.37 -0.63 4.18 -1.24 -0.57 0.22 115.58 118.76 2qjp h ASN 248 Ca 0.20 -0.37 0.01 0.00 0.71 0.00 0.00 56.30 56.85 2qjp h ASN 248 Cb 0.26 -0.10 -0.03 0.00 0.73 0.00 0.00 38.32 39.18 2qjp h ASN 248 CO -0.01 0.65 0.42 0.50 -1.29 0.00 0.00 177.43 177.70 2qjp h LYS 249 N 0.08 0.84 0.69 6.67 3.64 -0.85 0.91 116.57 128.54 2qjp h LYS 249 Ca 0.05 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 2qjp h LYS 249 Cb 0.49 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 32.13 2qjp h LYS 249 CO 0.02 0.55 -0.33 -0.09 -2.27 0.00 0.00 179.45 177.33 2qjp h ARG 250 N 0.86 -0.89 -0.68 1.90 2.43 -0.73 -1.24 114.38 116.03 2qjp h ARG 250 Ca 0.23 0.06 0.12 0.00 -0.81 0.00 0.00 59.98 59.58 2qjp h ARG 250 Cb -0.10 0.20 -0.09 0.00 -0.42 0.00 0.00 29.97 29.57 2qjp h ARG 250 CO -0.05 -0.58 0.24 1.25 -1.51 0.00 0.00 179.97 179.32 2qjp h LEU 251 N -1.00 0.20 -0.44 3.80 5.85 -0.71 -2.49 115.31 120.52 2qjp h LEU 251 Ca -0.09 0.10 -0.13 0.00 0.84 0.00 0.00 57.88 58.59 2qjp h LEU 251 Cb 0.73 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 2qjp h LEU 251 CO 0.16 0.10 -0.64 -0.50 -0.34 0.00 0.00 178.44 177.21 2qjp h TRP 252 N 0.40 0.00 -0.72 1.25 4.06 -0.79 -3.25 115.95 116.89 2qjp h TRP 252 Ca 0.36 0.00 0.21 0.00 2.06 0.00 0.00 58.89 61.52 2qjp h TRP 252 Cb 0.51 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.64 2qjp h TRP 252 CO -0.19 0.64 0.58 0.00 -3.56 0.00 0.00 178.44 175.91 2qjp h ALA 253 N 1.36 2.60 0.00 1.49 0.00 -0.74 0.56 119.26 124.53 2qjp h ALA 253 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2qjp h ALA 253 Cb 1.29 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2qjp h ALA 253 CO 0.08 -0.95 0.00 0.41 0.00 0.00 0.00 179.25 178.79 2qjp n GLY 254 N -1.64 -0.67 0.87 0.00 0.00 -1.23 -3.42 105.19 99.10 2qjp n GLY 254 Ca 0.14 -0.06 -0.04 0.00 0.00 0.00 0.00 46.02 46.07 2qjp n GLY 254 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2qjp n VAL 255 N -0.72 0.20 1.91 1.61 0.31 0.19 -5.19 118.33 116.64 2qjp n VAL 255 Ca 0.07 -0.05 0.16 0.00 -0.01 0.00 0.00 64.34 64.51 2qjp n VAL 255 Cb 0.03 -1.53 0.87 0.00 -0.91 0.00 0.00 33.84 32.31 2qjp n VAL 255 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80