#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qjp s ILE 4 N 0.00 5.30 0.36 -0.61 1.09 -1.26 -4.92 121.20 121.16 2qjp s ILE 4 Ca 0.00 0.10 -0.28 0.00 -1.10 0.00 0.00 60.65 59.37 2qjp s ILE 4 Cb 0.00 -3.57 -0.12 0.00 -1.06 0.00 0.00 42.46 37.71 2qjp s ILE 4 CO 0.00 0.32 1.37 -2.65 -0.10 0.00 0.00 174.94 173.88 2qjp n PRO 5 N 0.97 2.33 -3.61 2.79 -0.02 -1.26 -4.96 135.00 131.24 2qjp n PRO 5 Ca -0.10 0.82 -0.04 0.00 -2.02 0.00 0.00 63.50 62.16 2qjp n PRO 5 Cb 0.53 -2.46 -0.03 0.00 -0.02 0.00 0.00 33.50 31.52 2qjp n PRO 5 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2qjp s HIS 6 N -1.11 -0.11 -0.13 6.00 -3.43 -1.26 -4.77 115.29 110.48 2qjp s HIS 6 Ca 0.55 0.10 -0.08 0.00 -0.80 0.00 0.00 55.06 54.83 2qjp s HIS 6 Cb -0.53 0.50 -0.04 0.00 -1.43 0.00 0.00 32.58 31.08 2qjp s HIS 6 CO 0.63 -0.15 0.15 0.16 -2.00 0.00 0.00 174.74 173.53 2qjp s ASP 7 N -1.85 6.38 0.00 7.38 1.47 -1.26 -5.08 116.67 123.70 2qjp s ASP 7 Ca 0.09 0.45 0.00 0.00 1.18 0.00 0.00 52.55 54.27 2qjp s ASP 7 Cb -0.01 -2.08 0.00 0.00 -0.34 0.00 0.00 42.92 40.49 2qjp s ASP 7 CO -0.04 0.36 0.00 0.00 0.68 0.00 0.00 175.17 176.17 2qjp n HIS 8 N 2.27 -0.19 -4.25 2.11 1.44 -1.26 -5.03 115.22 110.31 2qjp n HIS 8 Ca -0.19 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.29 2qjp n HIS 8 Cb 0.54 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.58 2qjp n HIS 8 CO 0.00 0.00 0.00 -0.47 -2.81 0.00 0.00 176.34 173.06 2qjp s TYR 9 N 0.00 2.69 -0.22 -1.40 5.04 -1.26 -5.03 117.35 117.17 2qjp s TYR 9 Ca 0.00 -0.28 -0.06 0.00 -2.44 0.00 0.00 57.07 54.29 2qjp s TYR 9 Cb 0.00 -1.33 0.11 0.00 0.35 0.00 0.00 41.96 41.09 2qjp s TYR 9 CO 0.00 0.54 0.45 -2.00 -1.34 0.00 0.00 175.55 173.20 2qjp s GLU 10 N -3.72 0.37 -0.30 4.97 2.56 -1.26 -5.10 118.70 116.22 2qjp s GLU 10 Ca 0.33 1.02 -0.28 0.00 0.00 0.00 0.00 54.97 56.04 2qjp s GLU 10 Cb -0.05 0.31 -0.03 0.00 2.00 0.00 0.00 34.13 36.35 2qjp s GLU 10 CO 0.21 -0.32 2.00 -2.14 -0.56 0.00 0.00 175.26 174.45 2qjp s PRO 11 N 2.66 3.17 -0.22 4.30 0.02 -1.26 -4.83 135.00 138.83 2qjp s PRO 11 Ca 0.01 1.65 -0.16 0.00 0.02 0.00 0.00 61.00 62.52 2qjp s PRO 11 Cb -0.13 -4.29 -0.10 0.00 0.02 0.00 0.00 34.50 30.00 2qjp s PRO 11 CO -0.14 -2.05 -0.24 0.54 -0.33 0.00 0.00 177.00 174.77 2qjp n ARG 12 N 8.62 0.55 -0.60 5.54 5.12 -1.26 -4.64 116.66 129.99 2qjp n ARG 12 Ca 0.26 0.33 -0.26 0.00 -1.93 0.00 0.00 57.85 56.25 2qjp n ARG 12 Cb 0.47 -1.54 0.16 0.00 -1.16 0.00 0.00 32.46 30.39 2qjp n ARG 12 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 2qjp n THR 13 N -4.38 0.00 -0.08 0.55 -1.04 -1.26 -4.79 114.28 103.28 2qjp n THR 13 Ca -0.34 -0.16 -0.14 0.00 -2.04 0.00 0.00 64.05 61.37 2qjp n THR 13 Cb 0.67 -0.55 -0.11 0.00 -1.82 0.00 0.00 70.33 68.53 2qjp n THR 13 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2qjp h GLY 14 N -2.39 0.00 0.86 3.41 0.00 -2.00 -2.97 103.07 99.99 2qjp h GLY 14 Ca -0.39 0.00 0.02 0.00 0.00 0.00 0.00 47.33 46.96 2qjp h GLY 14 CO 0.27 0.00 0.19 -2.22 0.00 0.00 0.00 176.54 174.77 2qjp h ILE 15 N -1.00 1.00 -0.98 2.60 2.04 -2.00 -2.50 117.51 116.68 2qjp h ILE 15 Ca -0.08 -0.13 0.18 0.00 1.00 0.00 0.00 64.86 65.83 2qjp h ILE 15 Cb 0.98 0.58 -0.09 0.00 -0.74 0.00 0.00 36.82 37.55 2qjp h ILE 15 CO -0.05 0.07 0.61 -0.33 0.00 0.00 0.00 178.15 178.46 2qjp h GLU 16 N 0.39 0.70 -0.25 2.37 5.08 -1.92 0.17 114.58 121.12 2qjp h GLU 16 Ca 0.15 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.28 2qjp h GLU 16 Cb 0.04 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.13 2qjp h GLU 16 CO -0.09 0.47 -0.56 0.87 -1.00 0.00 0.00 179.01 178.70 2qjp h LYS 17 N 0.72 0.82 0.47 2.33 1.57 -1.28 -1.31 116.57 119.89 2qjp h LYS 17 Ca 0.54 -0.55 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2qjp h LYS 17 Cb 0.89 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.28 2qjp h LYS 17 CO -0.31 1.18 -0.22 2.35 -0.57 0.00 0.00 179.45 181.87 2qjp h TRP 18 N 0.58 -0.58 -0.02 -1.35 7.01 -0.83 -2.77 115.95 117.99 2qjp h TRP 18 Ca 0.00 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.99 2qjp h TRP 18 Cb 1.17 0.19 -0.00 0.00 -2.10 0.00 0.00 29.16 28.42 2qjp h TRP 18 CO 0.08 -0.36 -0.01 1.25 -2.79 0.00 0.00 178.44 176.61 2qjp h LEU 19 N -0.64 -0.02 -1.31 0.65 5.85 -0.77 -3.11 115.31 115.95 2qjp h LEU 19 Ca -0.06 0.01 0.14 0.00 0.84 0.00 0.00 57.88 58.80 2qjp h LEU 19 Cb 0.49 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.46 2qjp h LEU 19 CO 0.11 -0.01 0.57 -0.74 -0.34 0.00 0.00 178.44 178.02 2qjp h HIS 20 N -0.00 0.79 0.00 1.25 2.76 -1.19 0.09 115.15 118.84 2qjp h HIS 20 Ca 0.01 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2qjp h HIS 20 Cb 0.02 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 28.73 2qjp h HIS 20 CO -0.09 0.30 0.00 -1.13 -1.30 0.00 0.00 177.93 175.70 2qjp n SER 21 N -4.55 0.00 -0.07 3.26 3.41 -1.05 -3.58 113.62 111.04 2qjp n SER 21 Ca 0.17 0.22 -0.13 0.00 -0.26 0.00 0.00 58.87 58.86 2qjp n SER 21 Cb 0.46 -0.39 -0.05 0.00 -0.26 0.00 0.00 64.21 63.97 2qjp n SER 21 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2qjp n ARG 22 N -1.39 0.31 -3.42 4.33 1.74 -0.16 -4.95 116.66 113.13 2qjp n ARG 22 Ca 0.08 0.12 -0.20 0.00 -0.77 0.00 0.00 57.85 57.08 2qjp n ARG 22 Cb 0.22 -1.08 -0.10 0.00 -1.02 0.00 0.00 32.46 30.48 2qjp n ARG 22 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2qjp s LEU 23 N -6.47 0.01 0.00 0.55 2.96 -0.18 -5.03 118.68 110.53 2qjp s LEU 23 Ca -0.19 -1.14 0.00 0.00 -0.22 0.00 0.00 54.13 52.58 2qjp s LEU 23 Cb 0.07 0.32 0.00 0.00 0.50 0.00 0.00 46.19 47.08 2qjp s LEU 23 CO 0.26 -0.36 0.79 -0.81 -1.32 0.00 0.00 176.35 174.92 2qjp n PRO 24 N 4.96 0.42 0.15 0.98 -0.04 -1.23 -4.27 135.00 135.96 2qjp n PRO 24 Ca 0.01 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.52 2qjp n PRO 24 Cb 0.45 -1.29 0.48 0.00 -0.04 0.00 0.00 33.50 33.10 2qjp n PRO 24 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 2qjp h ILE 25 N 1.46 1.11 -0.22 0.52 2.10 -1.90 -1.81 117.51 118.77 2qjp h ILE 25 Ca 0.00 -0.43 -0.14 0.00 1.08 0.00 0.00 64.86 65.37 2qjp h ILE 25 Cb 0.42 1.04 -0.01 0.00 -1.09 0.00 0.00 36.82 37.18 2qjp h ILE 25 CO 0.00 0.14 -0.44 0.58 -1.08 0.00 0.00 178.15 177.35 2qjp h VAL 26 N 0.19 1.31 -0.38 2.19 2.07 -1.96 -2.02 116.25 117.65 2qjp h VAL 26 Ca 0.05 -1.62 -0.12 0.00 0.82 0.00 0.00 66.70 65.83 2qjp h VAL 26 Cb 0.18 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2qjp h VAL 26 CO 0.01 0.51 -0.24 0.00 0.02 0.00 0.00 177.57 177.87 2qjp h ALA 27 N 1.08 0.87 0.34 1.67 0.00 -1.70 -1.62 119.26 119.90 2qjp h ALA 27 Ca 0.03 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2qjp h ALA 27 Cb 0.94 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2qjp h ALA 27 CO 0.08 0.63 -0.16 1.25 0.00 0.00 0.00 179.25 181.05 2qjp h LEU 28 N 0.66 -0.38 -1.19 0.00 5.85 -1.10 -1.27 115.31 117.88 2qjp h LEU 28 Ca 0.09 -0.09 0.16 0.00 0.84 0.00 0.00 57.88 58.88 2qjp h LEU 28 Cb 0.75 0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.80 2qjp h LEU 28 CO 0.06 -0.14 0.60 0.00 -0.34 0.00 0.00 178.44 178.62 2qjp h ALA 29 N -0.01 1.77 0.70 1.25 0.00 -1.32 -1.90 119.26 119.74 2qjp h ALA 29 Ca -0.05 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2qjp h ALA 29 Cb 0.45 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2qjp h ALA 29 CO 0.08 -0.05 -0.43 -0.92 0.00 0.00 0.00 179.25 177.93 2qjp h TYR 30 N 0.75 -1.14 0.00 0.00 3.20 -0.84 -2.63 116.97 116.31 2qjp h TYR 30 Ca 0.49 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.35 2qjp h TYR 30 Cb 0.76 0.40 0.00 0.00 1.54 0.00 0.00 36.73 39.43 2qjp h TYR 30 CO -0.00 -0.64 0.09 -0.44 -1.64 0.00 0.00 178.16 175.53 2qjp h ASP 31 N -1.05 0.00 0.64 -2.11 3.32 -0.63 0.17 116.42 116.77 2qjp h ASP 31 Ca -0.09 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.68 2qjp h ASP 31 Cb 0.84 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.39 2qjp h ASP 31 CO 0.10 0.00 -1.24 0.74 -1.72 0.00 0.00 179.24 177.11 2qjp h THR 32 N 0.00 1.50 -0.24 0.35 2.02 -1.02 -3.32 112.91 112.20 2qjp h THR 32 Ca 0.00 -3.07 0.00 0.00 0.77 0.00 0.00 66.41 64.11 2qjp h THR 32 Cb 0.18 2.94 0.00 0.00 -1.74 0.00 0.00 68.15 69.53 2qjp h THR 32 CO 0.00 0.90 0.00 -0.38 0.37 0.00 0.00 175.52 176.41 2qjp n ILE 33 N -3.53 1.13 -1.15 3.11 5.41 -0.62 -4.40 119.36 119.31 2qjp n ILE 33 Ca -0.08 -1.10 0.09 0.00 1.00 0.00 0.00 62.75 62.65 2qjp n ILE 33 Cb 1.02 0.42 0.14 0.00 -0.71 0.00 0.00 39.64 40.51 2qjp n ILE 33 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 176.55 176.78 2qjp n MET 34 N 0.13 1.23 -2.56 0.38 2.81 0.52 -2.28 117.12 117.35 2qjp n MET 34 Ca 0.10 -2.55 -0.42 0.00 -1.81 0.00 0.00 57.70 53.02 2qjp n MET 34 Cb 0.42 -1.45 -0.03 0.00 -0.71 0.00 0.00 33.22 31.45 2qjp n MET 34 CO 0.00 0.00 0.00 -1.50 1.51 0.00 0.00 175.97 175.98 2qjp s ILE 35 N -2.75 4.41 -0.04 2.02 2.07 -1.25 -4.59 121.20 121.07 2qjp s ILE 35 Ca 0.31 1.75 -0.30 0.00 -1.41 0.00 0.00 60.65 61.00 2qjp s ILE 35 Cb 0.27 -4.12 -0.06 0.00 0.13 0.00 0.00 42.46 38.69 2qjp s ILE 35 CO 0.02 0.15 1.61 -2.16 -1.91 0.00 0.00 174.94 172.65 2qjp s PRO 36 N 0.96 4.19 -0.06 3.50 0.04 -1.26 -1.47 135.00 140.90 2qjp s PRO 36 Ca 0.55 2.16 0.03 0.00 0.04 0.00 0.00 61.00 63.78 2qjp s PRO 36 Cb -0.26 -3.90 -0.03 0.00 0.04 0.00 0.00 34.50 30.35 2qjp s PRO 36 CO 0.29 -0.81 -0.14 0.99 0.04 0.00 0.00 177.00 177.38 2qjp s THR 37 N 3.74 3.12 0.24 1.26 2.01 -0.30 -4.87 115.64 120.85 2qjp s THR 37 Ca 0.72 -0.70 -0.31 0.00 0.31 0.00 0.00 61.69 61.71 2qjp s THR 37 Cb -0.33 -2.23 -0.14 0.00 0.01 0.00 0.00 72.50 69.81 2qjp s THR 37 CO 0.29 0.59 1.29 -0.81 -0.69 0.00 0.00 174.62 175.28 2qjp n PRO 38 N 2.39 1.78 0.23 4.92 -0.04 -1.26 -1.56 135.00 141.45 2qjp n PRO 38 Ca -0.17 0.63 0.06 0.00 -0.04 0.00 0.00 63.50 63.97 2qjp n PRO 38 Cb 0.52 -2.21 0.52 0.00 -0.04 0.00 0.00 33.50 32.30 2qjp n PRO 38 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qjp h ARG 39 N 3.54 0.00 -0.12 0.54 3.08 -1.55 -3.26 114.38 116.61 2qjp h ARG 39 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.61 2qjp h ARG 39 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 2qjp h ARG 39 CO 0.71 0.15 0.00 0.27 -1.07 0.00 0.00 179.97 180.03 2qjp n ASN 40 N -4.35 1.05 -4.67 7.04 6.94 -1.26 -4.96 115.26 115.05 2qjp n ASN 40 Ca -0.03 -1.66 -0.43 0.00 -0.02 0.00 0.00 54.58 52.44 2qjp n ASN 40 Cb 0.22 -0.08 -0.01 0.00 -2.36 0.00 0.00 39.78 37.55 2qjp n ASN 40 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2qjp n LEU 41 N -0.07 3.05 0.00 -4.53 4.77 -1.23 -4.68 117.00 114.32 2qjp n LEU 41 Ca 0.14 1.19 -0.22 0.00 -0.03 0.00 0.00 56.01 57.10 2qjp n LEU 41 Cb 0.22 -1.43 0.01 0.00 -2.33 0.00 0.00 43.42 39.90 2qjp n LEU 41 CO 0.11 -0.71 0.11 -0.46 -1.33 0.00 0.00 177.39 175.10 2qjp n ASN 42 N 1.06 2.41 0.00 -1.43 0.23 -1.26 -4.98 115.26 111.29 2qjp n ASN 42 Ca 0.07 -2.59 0.00 0.00 -0.53 0.00 0.00 54.58 51.53 2qjp n ASN 42 Cb 0.34 -0.10 0.00 0.00 -2.08 0.00 0.00 39.78 37.95 2qjp n ASN 42 CO 0.00 0.00 0.00 0.79 -0.93 0.00 0.00 177.26 177.12 2qjp n TRP 43 N -1.71 0.00 0.86 -2.53 7.02 -1.26 -0.95 117.44 118.87 2qjp n TRP 43 Ca 0.01 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.62 2qjp n TRP 43 Cb 0.54 -0.09 0.34 0.00 -2.42 0.00 0.00 31.31 29.68 2qjp n TRP 43 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 2qjp n MET 44 N -1.09 0.10 -0.16 -0.99 2.81 -1.26 -3.59 117.12 112.94 2qjp n MET 44 Ca 0.00 0.04 0.08 0.00 -1.81 0.00 0.00 57.70 56.02 2qjp n MET 44 Cb 0.00 -1.58 0.26 0.00 -0.71 0.00 0.00 33.22 31.19 2qjp n MET 44 CO 0.00 0.00 0.00 0.91 1.51 0.00 0.00 175.97 178.39 2qjp n TRP 45 N -1.73 0.42 -0.05 2.03 8.01 -0.12 -4.11 117.44 121.90 2qjp n TRP 45 Ca 0.05 -0.21 0.12 0.00 -1.31 0.00 0.00 57.50 56.15 2qjp n TRP 45 Cb 0.37 0.00 0.28 0.00 -2.01 0.00 0.00 31.31 29.95 2qjp n TRP 45 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.69 177.12 2qjp n ILE 46 N 0.63 0.77 0.19 -0.99 -6.64 -1.24 -4.30 119.36 107.78 2qjp n ILE 46 Ca 0.15 -0.88 0.11 0.00 -1.77 0.00 0.00 62.75 60.36 2qjp n ILE 46 Cb 0.36 0.72 0.12 0.00 -1.44 0.00 0.00 39.64 39.40 2qjp n ILE 46 CO 0.00 0.00 0.00 -0.50 -1.77 0.00 0.00 176.55 174.28 2qjp h TRP 47 N 4.40 0.00 0.08 4.28 4.06 -1.84 -3.13 115.95 123.80 2qjp h TRP 47 Ca 0.00 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.95 2qjp h TRP 47 Cb 0.99 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.15 2qjp h TRP 47 CO 0.38 0.06 -0.04 0.78 -3.56 0.00 0.00 178.44 176.07 2qjp h GLY 48 N 3.95 -0.11 2.00 1.49 0.00 -1.89 -1.34 103.07 107.17 2qjp h GLY 48 Ca -0.00 0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 2qjp h GLY 48 CO 0.01 -0.04 -0.01 -0.24 0.00 0.00 0.00 176.54 176.25 2qjp h VAL 49 N -0.11 0.03 0.00 4.60 3.04 -1.86 -1.32 116.25 120.64 2qjp h VAL 49 Ca -0.01 -0.64 -0.14 0.00 -1.01 0.00 0.00 66.70 64.90 2qjp h VAL 49 Cb 0.09 1.62 -0.02 0.00 -2.01 0.00 0.00 31.29 30.96 2qjp h VAL 49 CO 0.02 0.01 -0.68 0.58 -1.01 0.00 0.00 177.57 176.49 2qjp h VAL 50 N 0.00 1.39 -0.11 1.51 2.07 -1.40 -1.74 116.25 117.97 2qjp h VAL 50 Ca -0.00 -2.40 -0.16 0.00 0.82 0.00 0.00 66.70 64.96 2qjp h VAL 50 Cb 0.62 2.33 0.01 0.00 -1.52 0.00 0.00 31.29 32.72 2qjp h VAL 50 CO 0.00 0.67 -0.56 -0.07 0.02 0.00 0.00 177.57 177.62 2qjp h LEU 51 N 0.00 0.69 0.10 2.57 3.38 -0.46 -1.45 115.31 120.14 2qjp h LEU 51 Ca -0.01 -0.64 0.02 0.00 0.09 0.00 0.00 57.88 57.35 2qjp h LEU 51 Cb 1.27 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.77 2qjp h LEU 51 CO 0.09 1.22 -0.33 0.00 0.09 0.00 0.00 178.44 179.50 2qjp h ALA 52 N 0.49 -0.56 -0.30 1.53 0.00 -1.14 0.24 119.26 119.51 2qjp h ALA 52 Ca -0.04 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.89 2qjp h ALA 52 Cb 1.21 0.56 -0.07 0.00 0.00 0.00 0.00 17.79 19.48 2qjp h ALA 52 CO 0.12 -0.88 -0.17 0.35 0.00 0.00 0.00 179.25 178.67 2qjp h PHE 53 N -0.55 -0.41 -0.65 0.00 3.57 -1.33 -0.84 116.94 116.73 2qjp h PHE 53 Ca 0.04 0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.66 2qjp h PHE 53 Cb 0.59 0.23 -0.07 0.00 2.79 0.00 0.00 35.95 39.49 2qjp h PHE 53 CO -0.31 -0.24 0.30 0.00 -2.23 0.00 0.00 178.31 175.83 2qjp h LEU 55 N 0.53 0.12 -0.21 0.00 5.85 0.13 0.73 115.31 122.47 2qjp h LEU 55 Ca 0.32 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 2qjp h LEU 55 Cb 0.33 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2qjp h LEU 55 CO -0.26 0.19 0.13 0.58 -0.34 0.00 0.00 178.44 178.74 2qjp h VAL 56 N 0.04 1.08 -0.38 1.05 2.07 -0.56 -0.60 116.25 118.96 2qjp h VAL 56 Ca 0.03 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.43 2qjp h VAL 56 Cb 0.10 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 2qjp h VAL 56 CO -0.00 0.07 0.11 0.25 0.02 0.00 0.00 177.57 178.02 2qjp h LEU 57 N 0.26 0.09 -0.30 2.57 5.85 0.18 -1.29 115.31 122.67 2qjp h LEU 57 Ca 0.07 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 2qjp h LEU 57 Cb 0.01 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2qjp h LEU 57 CO -0.01 0.09 0.17 1.56 -0.34 0.00 0.00 178.44 179.90 2qjp h GLN 58 N 0.25 0.42 0.28 1.25 1.08 -0.64 -1.61 115.11 116.14 2qjp h GLN 58 Ca 0.17 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.32 2qjp h GLN 58 Cb 0.17 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 2qjp h GLN 58 CO -0.20 0.36 -0.21 0.82 -0.95 0.00 0.00 178.83 178.65 2qjp h ILE 59 N 0.37 0.55 -0.67 2.54 2.04 -0.68 0.43 117.51 122.10 2qjp h ILE 59 Ca 0.11 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.89 2qjp h ILE 59 Cb 0.06 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 2qjp h ILE 59 CO -0.02 0.00 0.13 -0.37 0.00 0.00 0.00 178.15 177.90 2qjp h VAL 60 N -0.50 1.26 0.00 1.67 -1.51 -1.24 -0.07 116.25 115.86 2qjp h VAL 60 Ca -0.02 -1.00 -0.08 0.00 -1.23 0.00 0.00 66.70 64.37 2qjp h VAL 60 Cb 0.43 0.61 -0.01 0.00 -2.13 0.00 0.00 31.29 30.20 2qjp h VAL 60 CO -0.00 0.38 -0.39 0.71 -1.23 0.00 0.00 177.57 177.04 2qjp h THR 61 N 1.02 1.09 0.18 7.19 1.35 -1.21 -2.01 112.91 120.52 2qjp h THR 61 Ca 0.21 -1.43 -0.01 0.00 -0.55 0.00 0.00 66.41 64.63 2qjp h THR 61 Cb 0.41 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 2qjp h THR 61 CO 0.01 0.38 -0.09 1.23 -0.25 0.00 0.00 175.52 176.80 2qjp h GLY 62 N 1.53 -0.25 0.32 5.82 0.00 0.56 -0.12 103.07 110.93 2qjp h GLY 62 Ca -0.00 0.09 0.09 0.00 0.00 0.00 0.00 47.33 47.51 2qjp h GLY 62 CO 0.05 -0.09 0.14 -2.22 0.00 0.00 0.00 176.54 174.42 2qjp h ILE 63 N -0.70 0.72 0.18 2.60 2.04 -0.95 0.50 117.51 121.89 2qjp h ILE 63 Ca -0.02 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.74 2qjp h ILE 63 Cb 0.50 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 2qjp h ILE 63 CO 0.04 0.05 -0.15 0.58 0.00 0.00 0.00 178.15 178.67 2qjp h VAL 64 N 0.29 0.66 -1.00 1.67 2.07 -1.36 -2.58 116.25 116.00 2qjp h VAL 64 Ca 0.28 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.82 2qjp h VAL 64 Cb 0.38 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 2qjp h VAL 64 CO -0.34 0.00 0.66 -0.07 0.02 0.00 0.00 177.57 177.85 2qjp h LEU 65 N -0.35 1.13 -1.70 2.57 3.38 -0.02 -0.63 115.31 119.69 2qjp h LEU 65 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2qjp h LEU 65 Cb 0.32 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2qjp h LEU 65 CO -0.02 0.80 0.00 0.00 0.09 0.00 0.00 178.44 179.31 2qjp h ALA 66 N 1.39 1.00 0.00 1.53 0.00 0.34 -1.23 119.26 122.28 2qjp h ALA 66 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2qjp h ALA 66 Cb -0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2qjp h ALA 66 CO -0.10 0.00 0.00 0.52 0.00 0.00 0.00 179.25 179.67 2qjp h MET 67 N 0.00 0.00 0.00 0.00 2.86 -0.82 -3.31 114.93 113.67 2qjp h MET 67 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2qjp h MET 67 Cb 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 2qjp h MET 67 CO 0.00 0.00 0.00 0.72 1.06 0.00 0.00 176.91 178.69 2qjp n HIS 68 N -2.79 0.00 -3.14 -0.22 8.25 -0.52 -5.05 115.22 111.76 2qjp n HIS 68 Ca 0.03 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.10 2qjp n HIS 68 Cb 0.39 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.45 2qjp n HIS 68 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2qjp s TYR 69 N -0.78 3.68 -0.36 4.41 5.04 -0.90 -4.87 117.35 123.58 2qjp s TYR 69 Ca 0.00 1.26 -0.08 0.00 -2.44 0.00 0.00 57.07 55.81 2qjp s TYR 69 Cb 0.00 -2.67 0.05 0.00 0.35 0.00 0.00 41.96 39.68 2qjp s TYR 69 CO 0.00 0.31 0.16 0.99 -1.34 0.00 0.00 175.55 175.67 2qjp s THR 70 N -0.06 4.03 -1.37 4.34 2.01 -1.26 -4.94 115.64 118.39 2qjp s THR 70 Ca 0.33 -1.14 -0.16 0.00 0.31 0.00 0.00 61.69 61.03 2qjp s THR 70 Cb -0.19 -3.32 0.04 0.00 0.01 0.00 0.00 72.50 69.04 2qjp s THR 70 CO 0.18 -0.26 2.06 -0.81 -0.69 0.00 0.00 174.62 175.10 2qjp n PRO 71 N 4.87 2.85 -3.66 4.92 -0.04 -1.26 -2.49 135.00 140.19 2qjp n PRO 71 Ca -0.12 -2.76 -0.06 0.00 -0.04 0.00 0.00 63.50 60.52 2qjp n PRO 71 Cb 0.45 -3.34 -0.08 0.00 -0.04 0.00 0.00 33.50 30.48 2qjp n PRO 71 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2qjp s HIS 72 N 3.78 -0.96 0.42 0.54 5.04 -1.26 -4.43 115.29 118.42 2qjp s HIS 72 Ca 0.50 1.79 0.37 0.00 -1.54 0.00 0.00 55.06 56.18 2qjp s HIS 72 Cb 0.11 0.47 1.32 0.00 0.04 0.00 0.00 32.58 34.52 2qjp s HIS 72 CO -0.02 -0.53 1.20 1.33 -2.34 0.00 0.00 174.74 174.38 2qjp n VAL 73 N 5.23 -0.03 0.52 0.89 0.24 -1.26 0.10 118.33 124.03 2qjp n VAL 73 Ca -0.12 1.18 0.12 0.00 -2.04 0.00 0.00 64.34 63.49 2qjp n VAL 73 Cb 0.50 -1.96 0.25 0.00 -1.47 0.00 0.00 33.84 31.16 2qjp n VAL 73 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 2qjp h ASP 74 N 0.00 0.00 0.00 -1.34 3.32 -1.96 -3.40 116.42 113.04 2qjp h ASP 74 Ca 0.72 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.68 2qjp h ASP 74 Cb 2.83 0.00 0.00 0.00 0.22 0.00 0.00 39.33 42.38 2qjp h ASP 74 CO -0.05 0.05 -0.56 0.18 -1.72 0.00 0.00 179.24 177.14 2qjp n LEU 75 N -2.32 0.00 -0.10 1.55 4.77 0.29 -4.82 117.00 116.37 2qjp n LEU 75 Ca 0.04 -0.02 -0.06 0.00 -0.03 0.00 0.00 56.01 55.94 2qjp n LEU 75 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 2qjp n LEU 75 CO 0.34 0.00 0.75 0.00 -1.33 0.00 0.00 177.39 177.15 2qjp h ALA 76 N 0.00 0.13 -0.27 -1.18 0.00 -0.51 0.96 119.26 118.39 2qjp h ALA 76 Ca 0.00 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2qjp h ALA 76 Cb 0.00 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2qjp h ALA 76 CO 0.00 -0.53 -0.05 0.35 0.00 0.00 0.00 179.25 179.02 2qjp h PHE 77 N -0.09 0.58 -0.82 0.00 3.04 -1.80 -1.84 116.94 116.01 2qjp h PHE 77 Ca 0.18 -0.12 0.02 0.00 3.98 0.00 0.00 57.97 62.02 2qjp h PHE 77 Cb 0.36 -0.14 -0.04 0.00 2.56 0.00 0.00 35.95 38.68 2qjp h PHE 77 CO -0.38 0.71 0.54 0.00 -2.02 0.00 0.00 178.31 177.16 2qjp h ALA 78 N 0.78 1.05 -0.01 2.41 0.00 -1.79 -2.03 119.26 119.67 2qjp h ALA 78 Ca 0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2qjp h ALA 78 Cb 0.52 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2qjp h ALA 78 CO 0.02 0.42 -0.09 0.66 0.00 0.00 0.00 179.25 180.26 2qjp h SER 79 N 1.08 0.02 1.10 0.00 4.64 0.13 -0.65 113.55 119.86 2qjp h SER 79 Ca 0.31 -0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.44 2qjp h SER 79 Cb -0.08 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 61.97 2qjp h SER 79 CO -0.08 0.11 -0.91 0.58 -0.87 0.00 0.00 176.83 175.66 2qjp h VAL 80 N 0.02 1.45 -0.29 0.95 2.07 -0.63 -2.70 116.25 117.12 2qjp h VAL 80 Ca 0.00 -3.07 -0.18 0.00 0.82 0.00 0.00 66.70 64.28 2qjp h VAL 80 Cb 0.17 2.71 -0.00 0.00 -1.52 0.00 0.00 31.29 32.65 2qjp h VAL 80 CO 0.01 0.82 -0.52 -0.33 0.02 0.00 0.00 177.57 177.57 2qjp h GLU 81 N 0.00 0.84 -0.75 1.57 4.39 -0.95 -2.12 114.58 117.56 2qjp h GLU 81 Ca -0.02 -0.52 0.13 0.00 0.34 0.00 0.00 59.36 59.29 2qjp h GLU 81 Cb 1.68 0.06 -0.09 0.00 -0.10 0.00 0.00 28.75 30.29 2qjp h GLU 81 CO 0.11 1.15 0.32 1.25 -1.16 0.00 0.00 179.01 180.68 2qjp h HIS 82 N 0.65 0.55 -0.34 4.33 -0.00 -1.11 0.31 115.15 119.54 2qjp h HIS 82 Ca 0.02 0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.36 2qjp h HIS 82 Cb 1.12 -0.13 -0.02 0.00 -0.00 0.00 0.00 27.41 28.38 2qjp h HIS 82 CO 0.07 0.11 -0.05 0.82 -0.00 0.00 0.00 177.93 178.87 2qjp h ILE 83 N 0.49 1.22 0.00 6.26 2.04 -1.17 0.58 117.51 126.93 2qjp h ILE 83 Ca 0.40 -0.91 -0.23 0.00 1.00 0.00 0.00 64.86 65.12 2qjp h ILE 83 Cb 0.57 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 2qjp h ILE 83 CO -0.37 0.31 -0.95 0.24 0.00 0.00 0.00 178.15 177.37 2qjp h MET 84 N 0.51 0.43 0.00 2.37 2.86 -0.14 -2.88 114.93 118.08 2qjp h MET 84 Ca 0.10 -0.46 -0.14 0.00 -2.06 0.00 0.00 59.70 57.14 2qjp h MET 84 Cb 0.41 0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 2qjp h MET 84 CO 0.02 1.12 -2.07 0.54 1.06 0.00 0.00 176.91 177.58 2qjp n ARG 85 N -3.75 0.67 -0.03 1.72 1.74 0.83 -3.73 116.66 114.11 2qjp n ARG 85 Ca -0.07 -0.10 -0.06 0.00 -0.77 0.00 0.00 57.85 56.85 2qjp n ARG 85 Cb 0.84 -1.55 -0.02 0.00 -1.02 0.00 0.00 32.46 30.71 2qjp n ARG 85 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2qjp n ASN 86 N -2.48 0.80 -4.69 0.55 3.02 0.20 -5.01 115.26 107.65 2qjp n ASN 86 Ca -0.14 0.05 -0.43 0.00 -0.03 0.00 0.00 54.58 54.03 2qjp n ASN 86 Cb 0.79 -0.15 -0.03 0.00 -0.61 0.00 0.00 39.78 39.78 2qjp n ASN 86 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2qjp n VAL 87 N -3.17 0.23 -1.67 2.41 0.31 -1.15 -4.84 118.33 110.45 2qjp n VAL 87 Ca -0.11 -0.04 -0.52 0.00 -0.01 0.00 0.00 64.34 63.66 2qjp n VAL 87 Cb 0.58 -1.99 -0.06 0.00 -0.91 0.00 0.00 33.84 31.46 2qjp n VAL 87 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2qjp n ASN 88 N 4.95 2.95 -0.99 4.52 3.02 -1.26 0.77 115.26 129.22 2qjp n ASN 88 Ca 0.18 0.95 -0.13 0.00 -0.03 0.00 0.00 54.58 55.55 2qjp n ASN 88 Cb 0.35 -1.28 -0.06 0.00 -0.61 0.00 0.00 39.78 38.19 2qjp n ASN 88 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qjp n GLY 89 N 4.55 1.35 0.11 7.41 0.00 -1.26 -4.89 105.19 112.46 2qjp n GLY 89 Ca 0.26 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 2qjp n GLY 89 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qjp h GLY 90 N 0.00 -0.19 -0.32 -0.02 0.00 0.26 -0.44 103.07 102.36 2qjp h GLY 90 Ca -0.27 0.07 0.25 0.00 0.00 0.00 0.00 47.33 47.39 2qjp h GLY 90 CO 0.39 -0.07 0.43 0.27 0.00 0.00 0.00 176.54 177.56 2qjp h PHE 91 N -0.41 0.71 -0.05 5.60 -0.00 -1.59 0.23 116.94 121.44 2qjp h PHE 91 Ca -0.02 0.04 -0.22 0.00 -0.00 0.00 0.00 57.97 57.78 2qjp h PHE 91 Cb 0.32 -0.16 0.00 0.00 -0.00 0.00 0.00 35.95 36.11 2qjp h PHE 91 CO 0.00 -0.10 -0.86 1.98 -0.00 0.00 0.00 178.31 179.34 2qjp h MET 92 N 0.37 0.50 -0.50 6.09 4.05 -1.85 -2.27 114.93 121.31 2qjp h MET 92 Ca 0.61 -0.47 -0.10 0.00 -0.28 0.00 0.00 59.70 59.46 2qjp h MET 92 Cb 1.24 0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 32.14 2qjp h MET 92 CO -0.57 1.11 -0.09 -0.07 0.23 0.00 0.00 176.91 177.52 2qjp h LEU 93 N 0.31 0.90 0.30 3.39 3.38 0.10 -1.52 115.31 122.17 2qjp h LEU 93 Ca -0.06 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 2qjp h LEU 93 Cb 1.47 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2qjp h LEU 93 CO 0.15 1.01 -0.14 -0.09 0.09 0.00 0.00 178.44 179.46 2qjp h ARG 94 N 0.82 -0.39 -1.14 1.13 1.12 -0.71 -1.86 114.38 113.36 2qjp h ARG 94 Ca 0.14 0.03 0.33 0.00 -1.11 0.00 0.00 59.98 59.36 2qjp h ARG 94 Cb 0.61 0.09 -0.05 0.00 -0.01 0.00 0.00 29.97 30.61 2qjp h ARG 94 CO 0.04 -0.26 0.92 1.88 -3.11 0.00 0.00 179.97 179.44 2qjp h TYR 95 N -0.47 0.00 0.07 2.20 0.05 -1.44 0.31 116.97 117.69 2qjp h TYR 95 Ca -0.04 0.00 -0.25 0.00 0.05 0.00 0.00 58.73 58.49 2qjp h TYR 95 Cb 0.31 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.05 2qjp h TYR 95 CO 0.12 0.00 -1.11 -0.07 -1.05 0.00 0.00 178.16 176.05 2qjp h LEU 96 N 0.00 0.49 -0.15 3.88 3.38 -1.11 -2.09 115.31 119.71 2qjp h LEU 96 Ca 0.54 -0.46 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 2qjp h LEU 96 Cb 2.37 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.97 2qjp h LEU 96 CO -0.01 1.30 -0.30 -0.74 0.09 0.00 0.00 178.44 178.78 2qjp h HIS 97 N 0.15 0.59 0.00 1.13 2.76 0.39 -1.25 115.15 118.92 2qjp h HIS 97 Ca -0.11 -0.21 0.00 0.00 -2.20 0.00 0.00 60.37 57.84 2qjp h HIS 97 Cb 1.79 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 30.64 2qjp h HIS 97 CO 0.06 0.93 0.00 0.00 -1.30 0.00 0.00 177.93 177.62 2qjp n ALA 98 N -2.49 -0.20 0.32 5.26 0.00 -0.27 -2.23 120.51 120.91 2qjp n ALA 98 Ca -0.07 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.55 2qjp n ALA 98 Cb 0.48 0.05 0.90 0.00 0.00 0.00 0.00 19.45 20.88 2qjp n ALA 98 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2qjp h ASN 99 N 0.00 0.00 -0.32 0.00 2.35 -1.53 0.45 115.58 116.54 2qjp h ASN 99 Ca 0.00 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 2qjp h ASN 99 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 2qjp h ASN 99 CO 0.00 0.00 -0.01 1.23 -1.65 0.00 0.00 177.43 177.00 2qjp h GLY 100 N 0.00 0.73 0.96 2.83 0.00 -0.93 -1.33 103.07 105.33 2qjp h GLY 100 Ca 0.01 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 2qjp h GLY 100 CO -0.00 0.44 -0.02 0.00 0.00 0.00 0.00 176.54 176.96 2qjp h ALA 101 N 1.35 -0.06 -0.78 3.60 0.00 0.38 -0.00 119.26 123.74 2qjp h ALA 101 Ca 0.13 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.06 2qjp h ALA 101 Cb 0.42 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 2qjp h ALA 101 CO 0.02 -0.51 0.48 0.77 0.00 0.00 0.00 179.25 180.00 2qjp h SER 102 N -0.10 0.76 -0.39 0.00 0.02 -1.47 -0.02 113.55 112.35 2qjp h SER 102 Ca -0.01 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 2qjp h SER 102 Cb 0.08 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 2qjp h SER 102 CO 0.01 0.50 0.12 0.25 -1.14 0.00 0.00 176.83 176.57 2qjp h LEU 103 N 0.90 0.63 -0.62 5.07 5.85 -0.90 -0.41 115.31 125.84 2qjp h LEU 103 Ca 0.33 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 2qjp h LEU 103 Cb 0.12 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 2qjp h LEU 103 CO -0.15 0.62 0.37 0.15 -0.34 0.00 0.00 178.44 179.09 2qjp h PHE 104 N 0.67 0.82 0.04 1.25 3.04 0.88 -2.47 116.94 121.17 2qjp h PHE 104 Ca 0.15 -0.00 -0.18 0.00 3.98 0.00 0.00 57.97 61.92 2qjp h PHE 104 Cb 0.24 -0.27 0.02 0.00 2.56 0.00 0.00 35.95 38.49 2qjp h PHE 104 CO 0.01 0.56 -0.73 0.74 -2.02 0.00 0.00 178.31 176.87 2qjp h PHE 105 N 0.84 0.65 -0.99 0.41 0.04 -0.76 -2.43 116.94 114.71 2qjp h PHE 105 Ca 0.22 -0.38 0.21 0.00 2.80 0.00 0.00 57.97 60.81 2qjp h PHE 105 Cb -0.02 -0.06 -0.10 0.00 2.20 0.00 0.00 35.95 37.97 2qjp h PHE 105 CO -0.02 1.23 0.62 0.82 -0.60 0.00 0.00 178.31 180.35 2qjp h ILE 106 N -0.10 0.67 -0.22 -0.55 2.04 -1.10 -0.88 117.51 117.37 2qjp h ILE 106 Ca -0.10 -0.22 -0.15 0.00 1.00 0.00 0.00 64.86 65.39 2qjp h ILE 106 Cb 1.46 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 2qjp h ILE 106 CO 0.14 0.12 -0.43 0.00 0.00 0.00 0.00 178.15 177.97 2qjp h ALA 107 N 1.64 0.34 -0.37 1.87 0.00 -1.41 -2.72 119.26 118.62 2qjp h ALA 107 Ca 0.56 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2qjp h ALA 107 Cb 1.05 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2qjp h ALA 107 CO -0.33 0.47 0.06 -0.39 0.00 0.00 0.00 179.25 179.06 2qjp h VAL 108 N 0.38 1.24 -0.51 0.00 -1.51 -0.70 0.44 116.25 115.59 2qjp h VAL 108 Ca 0.01 -0.84 0.06 0.00 -1.23 0.00 0.00 66.70 64.69 2qjp h VAL 108 Cb 1.04 1.08 -0.05 0.00 -2.13 0.00 0.00 31.29 31.23 2qjp h VAL 108 CO 0.10 0.28 0.23 1.88 -1.23 0.00 0.00 177.57 178.83 2qjp h TYR 109 N 0.44 0.41 -0.55 5.19 0.05 -1.31 2.45 116.97 123.65 2qjp h TYR 109 Ca 0.11 0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.84 2qjp h TYR 109 Cb 0.36 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 37.97 2qjp h TYR 109 CO 0.02 0.17 0.04 -0.07 -1.05 0.00 0.00 178.16 177.28 2qjp h LEU 110 N 0.44 0.91 -0.32 3.88 3.38 -1.27 0.24 115.31 122.57 2qjp h LEU 110 Ca 0.24 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2qjp h LEU 110 Cb 0.20 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2qjp h LEU 110 CO -0.20 0.97 0.21 -0.74 0.09 0.00 0.00 178.44 178.77 2qjp h HIS 111 N 0.82 0.41 0.49 1.13 2.76 0.16 -0.83 115.15 120.08 2qjp h HIS 111 Ca 0.16 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.32 2qjp h HIS 111 Cb 0.47 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.30 2qjp h HIS 111 CO 0.03 0.26 -0.23 0.82 -1.30 0.00 0.00 177.93 177.51 2qjp h ILE 112 N 0.44 0.47 -0.05 6.26 2.04 0.45 -2.75 117.51 124.37 2qjp h ILE 112 Ca 0.12 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 65.69 2qjp h ILE 112 Cb -0.05 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 2qjp h ILE 112 CO -0.03 0.05 0.05 -0.26 0.00 0.00 0.00 178.15 177.96 2qjp h PHE 113 N -0.85 0.00 -0.21 1.37 0.04 -0.50 0.20 116.94 116.99 2qjp h PHE 113 Ca -0.07 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.67 2qjp h PHE 113 Cb 0.58 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.72 2qjp h PHE 113 CO -0.00 0.00 0.01 -0.09 -0.60 0.00 0.00 178.31 177.63 2qjp h ARG 114 N 0.00 0.37 -0.40 1.51 1.12 -1.04 -2.41 114.38 113.52 2qjp h ARG 114 Ca 0.02 -0.11 0.02 0.00 -1.11 0.00 0.00 59.98 58.80 2qjp h ARG 114 Cb 0.13 -0.04 -0.03 0.00 -0.01 0.00 0.00 29.97 30.02 2qjp h ARG 114 CO -0.00 0.54 0.23 0.78 -3.11 0.00 0.00 179.97 178.42 2qjp h GLY 115 N 0.15 0.55 0.76 2.80 0.00 -0.36 -2.10 103.07 104.87 2qjp h GLY 115 Ca 0.06 -0.18 0.05 0.00 0.00 0.00 0.00 47.33 47.27 2qjp h GLY 115 CO 0.01 0.15 0.47 1.41 0.00 0.00 0.00 176.54 178.58 2qjp h LEU 116 N 0.47 0.74 -0.22 3.11 3.38 -1.06 -1.21 115.31 120.52 2qjp h LEU 116 Ca 0.16 0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.94 2qjp h LEU 116 Cb 0.01 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.62 2qjp h LEU 116 CO -0.07 0.48 -0.65 0.22 0.09 0.00 0.00 178.44 178.51 2qjp h TYR 117 N 0.87 1.08 -0.17 1.13 5.03 -1.20 -3.28 116.97 120.44 2qjp h TYR 117 Ca 0.33 -0.43 0.00 0.00 2.58 0.00 0.00 58.73 61.21 2qjp h TYR 117 Cb 0.12 -0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.22 2qjp h TYR 117 CO -0.05 1.26 0.00 0.66 -1.32 0.00 0.00 178.16 178.72 2qjp n TYR 118 N -3.99 0.20 -3.03 -3.82 4.01 -0.81 -0.89 117.16 108.84 2qjp n TYR 118 Ca -0.06 -0.10 -0.20 0.00 -0.16 0.00 0.00 57.90 57.38 2qjp n TYR 118 Cb 0.68 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.75 2qjp n TYR 118 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qjp n GLY 119 N 1.23 -0.39 0.00 2.72 0.00 -0.50 -3.73 105.19 104.52 2qjp n GLY 119 Ca 0.17 0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.33 2qjp n GLY 119 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2qjp n SER 120 N -2.14 0.00 -0.00 1.61 7.64 -0.96 -1.96 113.62 117.81 2qjp n SER 120 Ca -0.08 0.29 0.11 0.00 1.01 0.00 0.00 58.87 60.20 2qjp n SER 120 Cb 0.60 -0.40 0.06 0.00 -1.01 0.00 0.00 64.21 63.46 2qjp n SER 120 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qjp n TYR 121 N -1.40 0.00 -2.29 1.43 0.18 -1.26 -4.66 117.16 109.15 2qjp n TYR 121 Ca 0.06 0.00 -0.32 0.00 1.88 0.00 0.00 57.90 59.52 2qjp n TYR 121 Cb 0.17 -0.12 -0.02 0.00 -0.38 0.00 0.00 39.34 38.98 2qjp n TYR 121 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 2qjp s LYS 122 N -3.00 3.86 0.18 -3.48 1.02 -0.83 -3.77 119.74 113.72 2qjp s LYS 122 Ca 0.10 0.88 -0.28 0.00 0.02 0.00 0.00 55.97 56.69 2qjp s LYS 122 Cb 0.17 -2.13 -0.16 0.00 -0.52 0.00 0.00 37.83 35.18 2qjp s LYS 122 CO 0.79 -0.33 0.53 0.00 -0.92 0.00 0.00 175.35 175.42 2qjp n ALA 123 N -1.85 -2.85 -0.28 5.17 0.00 -1.26 -1.16 120.51 118.29 2qjp n ALA 123 Ca 0.06 0.43 0.03 0.00 0.00 0.00 0.00 53.44 53.96 2qjp n ALA 123 Cb 0.54 -1.55 0.26 0.00 0.00 0.00 0.00 19.45 18.70 2qjp n ALA 123 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2qjp n PRO 124 N 0.99 3.43 -0.65 0.00 -0.04 -1.26 -4.95 135.00 132.52 2qjp n PRO 124 Ca 0.17 -2.08 -0.08 0.00 -0.04 0.00 0.00 63.50 61.46 2qjp n PRO 124 Cb 0.23 -1.99 0.14 0.00 -0.04 0.00 0.00 33.50 31.84 2qjp n PRO 124 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2qjp n ARG 125 N 0.32 2.18 -0.09 0.54 1.74 -0.31 -4.50 116.66 116.54 2qjp n ARG 125 Ca 0.20 -1.75 -0.08 0.00 -0.77 0.00 0.00 57.85 55.45 2qjp n ARG 125 Cb 0.92 -1.76 0.09 0.00 -1.02 0.00 0.00 32.46 30.69 2qjp n ARG 125 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2qjp h GLU 126 N 1.09 0.78 -0.44 5.56 3.07 -1.75 -2.38 114.58 120.51 2qjp h GLU 126 Ca 0.26 -0.31 -0.13 0.00 -0.50 0.00 0.00 59.36 58.67 2qjp h GLU 126 Cb 1.87 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 29.73 2qjp h GLU 126 CO 0.53 0.93 -0.25 0.28 -1.40 0.00 0.00 179.01 179.11 2qjp h VAL 127 N 0.69 1.27 -0.16 3.13 2.07 -1.91 0.20 116.25 121.53 2qjp h VAL 127 Ca 0.10 -1.41 0.04 0.00 0.82 0.00 0.00 66.70 66.25 2qjp h VAL 127 Cb 0.73 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 2qjp h VAL 127 CO 0.06 0.48 -0.10 0.74 0.02 0.00 0.00 177.57 178.76 2qjp h THR 128 N 0.79 0.69 0.04 2.57 2.02 -1.86 -0.05 112.91 117.11 2qjp h THR 128 Ca 0.09 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.29 2qjp h THR 128 Cb 0.83 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 2qjp h THR 128 CO 0.07 0.00 -0.13 -0.25 0.37 0.00 0.00 175.52 175.58 2qjp h TRP 129 N -0.10 -0.33 -0.05 3.16 2.91 -1.09 -0.45 115.95 120.00 2qjp h TRP 129 Ca 0.10 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.13 2qjp h TRP 129 Cb 0.25 0.14 -0.00 0.00 -0.51 0.00 0.00 29.16 29.03 2qjp h TRP 129 CO -0.24 -0.19 0.03 0.82 -1.03 0.00 0.00 178.44 177.82 2qjp h ILE 130 N -0.24 1.00 -0.90 2.65 1.08 -0.25 -0.47 117.51 120.39 2qjp h ILE 130 Ca 0.03 -0.02 0.12 0.00 -0.39 0.00 0.00 64.86 64.60 2qjp h ILE 130 Cb 0.27 0.94 -0.08 0.00 -3.07 0.00 0.00 36.82 34.88 2qjp h ILE 130 CO -0.10 0.01 0.52 0.58 -0.69 0.00 0.00 178.15 178.48 2qjp h VAL 131 N 0.06 0.85 -0.28 1.67 2.07 -0.89 0.02 116.25 119.74 2qjp h VAL 131 Ca 0.02 -0.28 0.05 0.00 0.82 0.00 0.00 66.70 67.32 2qjp h VAL 131 Cb -0.00 -0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 29.69 2qjp h VAL 131 CO -0.01 0.15 -0.05 1.23 0.02 0.00 0.00 177.57 178.91 2qjp h GLY 132 N 0.81 0.23 0.60 2.17 0.00 -0.01 -0.56 103.07 106.30 2qjp h GLY 132 Ca 0.46 0.07 0.12 0.00 0.00 0.00 0.00 47.33 47.98 2qjp h GLY 132 CO -0.29 -0.09 0.58 -0.33 0.00 0.00 0.00 176.54 176.41 2qjp h MET 133 N 0.03 0.80 -0.58 4.80 2.07 0.55 -0.51 114.93 122.09 2qjp h MET 133 Ca 0.14 -0.05 -0.05 0.00 -2.07 0.00 0.00 59.70 57.67 2qjp h MET 133 Cb 0.20 -0.18 -0.02 0.00 -1.87 0.00 0.00 31.60 29.73 2qjp h MET 133 CO -0.27 0.53 0.19 -0.07 1.07 0.00 0.00 176.91 178.35 2qjp h LEU 134 N 0.82 0.84 -0.34 1.22 3.38 -0.27 -1.48 115.31 119.47 2qjp h LEU 134 Ca 0.44 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 58.23 2qjp h LEU 134 Cb 0.55 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 2qjp h LEU 134 CO -0.20 0.82 0.17 0.40 0.09 0.00 0.00 178.44 179.71 2qjp h ILE 135 N 0.81 0.98 -0.40 1.22 2.04 -0.15 -0.32 117.51 121.69 2qjp h ILE 135 Ca 0.19 -0.12 0.07 0.00 1.00 0.00 0.00 64.86 66.00 2qjp h ILE 135 Cb 0.28 0.60 -0.07 0.00 -0.74 0.00 0.00 36.82 36.89 2qjp h ILE 135 CO -0.01 0.06 -0.00 0.22 0.00 0.00 0.00 178.15 178.42 2qjp h TYR 136 N 0.34 -0.03 -0.11 1.37 3.20 -0.65 1.03 116.97 122.13 2qjp h TYR 136 Ca 0.14 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 2qjp h TYR 136 Cb 0.06 0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.40 2qjp h TYR 136 CO -0.10 -0.08 0.05 -0.07 -1.64 0.00 0.00 178.16 176.32 2qjp h LEU 137 N 0.10 0.14 -0.41 2.82 3.38 -0.89 -1.09 115.31 119.36 2qjp h LEU 137 Ca 0.20 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.13 2qjp h LEU 137 Cb 0.28 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 2qjp h LEU 137 CO -0.33 0.21 0.05 0.00 0.09 0.00 0.00 178.44 178.46 2qjp h ALA 138 N 0.93 0.42 -0.09 1.53 0.00 -0.05 -0.06 119.26 121.94 2qjp h ALA 138 Ca 0.04 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.08 2qjp h ALA 138 Cb 0.11 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 2qjp h ALA 138 CO -0.00 -0.35 -0.28 0.52 0.00 0.00 0.00 179.25 179.14 2qjp h MET 139 N 0.17 -0.36 -0.64 0.00 2.86 0.14 0.23 114.93 117.34 2qjp h MET 139 Ca 0.20 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.91 2qjp h MET 139 Cb 0.26 0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.95 2qjp h MET 139 CO -0.29 -0.24 0.36 0.52 1.06 0.00 0.00 176.91 178.32 2qjp h MET 140 N -0.37 0.65 -0.47 1.72 2.07 -0.58 0.15 114.93 118.09 2qjp h MET 140 Ca 0.09 -0.04 -0.02 0.00 -2.07 0.00 0.00 59.70 57.66 2qjp h MET 140 Cb 0.50 -0.15 -0.02 0.00 -1.87 0.00 0.00 31.60 30.06 2qjp h MET 140 CO -0.30 0.43 0.21 0.00 1.07 0.00 0.00 176.91 178.33 2qjp h ALA 141 N 1.32 0.61 0.56 6.32 0.00 -0.39 -0.02 119.26 127.67 2qjp h ALA 141 Ca 0.28 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2qjp h ALA 141 Cb 0.15 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2qjp h ALA 141 CO -0.16 0.19 -0.33 1.15 0.00 0.00 0.00 179.25 180.09 2qjp h THR 142 N 0.62 0.33 -0.93 0.00 2.02 0.16 -1.59 112.91 113.51 2qjp h THR 142 Ca 0.16 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.44 2qjp h THR 142 Cb 0.15 0.33 -0.08 0.00 -1.74 0.00 0.00 68.15 66.81 2qjp h THR 142 CO -0.02 0.00 0.57 0.00 0.37 0.00 0.00 175.52 176.44 2qjp h ALA 143 N -0.45 1.35 0.47 6.16 0.00 -0.64 0.05 119.26 126.21 2qjp h ALA 143 Ca -0.07 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2qjp h ALA 143 Cb 0.67 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2qjp h ALA 143 CO 0.08 0.22 -0.39 0.35 0.00 0.00 0.00 179.25 179.51 2qjp h PHE 144 N 0.95 -1.05 -1.01 0.00 3.57 -0.70 -1.50 116.94 117.19 2qjp h PHE 144 Ca 0.44 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.96 2qjp h PHE 144 Cb 0.38 0.40 -0.05 0.00 2.79 0.00 0.00 35.95 39.46 2qjp h PHE 144 CO -0.03 -0.56 0.67 0.52 -2.23 0.00 0.00 178.31 176.69 2qjp h MET 145 N -0.86 1.32 -0.16 1.11 2.86 -0.81 -2.79 114.93 115.60 2qjp h MET 145 Ca -0.05 -0.08 0.03 0.00 -2.06 0.00 0.00 59.70 57.54 2qjp h MET 145 Cb 0.74 -0.30 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 2qjp h MET 145 CO -0.02 0.88 -0.04 0.78 1.06 0.00 0.00 176.91 179.57 2qjp h GLY 146 N 1.36 0.12 1.44 8.32 0.00 -0.74 -1.97 103.07 111.60 2qjp h GLY 146 Ca 0.37 0.05 0.04 0.00 0.00 0.00 0.00 47.33 47.79 2qjp h GLY 146 CO -0.08 -0.06 0.24 -1.82 0.00 0.00 0.00 176.54 174.82 2qjp h TYR 147 N 0.01 0.00 -0.01 5.60 3.20 -1.00 -1.65 116.97 123.11 2qjp h TYR 147 Ca 0.08 0.00 -0.24 0.00 3.14 0.00 0.00 58.73 61.71 2qjp h TYR 147 Cb 0.12 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.39 2qjp h TYR 147 CO -0.19 0.00 -0.95 0.28 -1.64 0.00 0.00 178.16 175.66 2qjp h VAL 148 N 0.00 1.35 -0.94 1.81 2.07 -1.27 -3.37 116.25 115.90 2qjp h VAL 148 Ca 0.07 -2.33 0.28 0.00 0.82 0.00 0.00 66.70 65.53 2qjp h VAL 148 Cb 0.54 2.36 -0.17 0.00 -1.52 0.00 0.00 31.29 32.51 2qjp h VAL 148 CO -0.00 0.71 0.17 -0.07 0.02 0.00 0.00 177.57 178.40 2qjp h LEU 149 N 0.31 -0.19 -2.02 2.57 3.38 -1.26 0.18 115.31 118.28 2qjp h LEU 149 Ca -0.09 0.25 0.12 0.00 0.09 0.00 0.00 57.88 58.24 2qjp h LEU 149 Cb 1.59 0.37 -0.02 0.00 0.09 0.00 0.00 40.66 42.70 2qjp h LEU 149 CO 0.18 -0.29 0.31 -0.65 0.09 0.00 0.00 178.44 178.07 2qjp h PRO 150 N 0.08 0.00 -4.54 1.13 0.11 -1.75 -3.43 132.00 123.60 2qjp h PRO 150 Ca 0.61 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 66.45 2qjp h PRO 150 Cb 1.32 0.00 0.11 0.00 0.11 0.00 0.00 31.00 32.54 2qjp h PRO 150 CO -0.80 0.00 -0.51 1.87 -0.21 0.00 0.00 178.00 178.35 2qjp n TRP 151 N -4.34 -1.88 -2.73 0.65 -0.00 0.05 -3.05 117.44 106.13 2qjp n TRP 151 Ca 0.07 0.71 -0.12 0.00 -0.00 0.00 0.00 57.50 58.16 2qjp n TRP 151 Cb 0.50 -4.04 0.06 0.00 -0.00 0.00 0.00 31.31 27.83 2qjp n TRP 151 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2qjp n GLY 152 N -1.39 1.30 0.17 5.87 0.00 -1.26 -1.70 105.19 108.18 2qjp n GLY 152 Ca -0.08 -2.09 -0.13 0.00 0.00 0.00 0.00 46.02 43.72 2qjp n GLY 152 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2qjp h GLN 153 N 0.00 -0.30 -0.18 1.61 1.08 -0.48 -1.55 115.11 115.30 2qjp h GLN 153 Ca -0.18 0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.04 2qjp h GLN 153 Cb 0.72 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.21 2qjp h GLN 153 CO 0.22 -0.20 0.10 0.52 -0.95 0.00 0.00 178.83 178.52 2qjp h MET 154 N -0.31 0.24 0.13 1.46 2.86 -1.86 -2.50 114.93 114.95 2qjp h MET 154 Ca -0.01 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 2qjp h MET 154 Cb 0.27 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.88 2qjp h MET 154 CO -0.00 0.18 -0.06 0.77 1.06 0.00 0.00 176.91 178.85 2qjp h SER 155 N 0.24 -0.15 0.52 1.22 0.02 -1.62 -1.61 113.55 112.17 2qjp h SER 155 Ca 0.06 -0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 2qjp h SER 155 Cb 0.01 0.04 0.01 0.00 0.14 0.00 0.00 62.40 62.59 2qjp h SER 155 CO -0.01 0.02 -0.25 0.15 -1.14 0.00 0.00 176.83 175.60 2qjp h PHE 156 N -0.31 -0.65 0.00 3.45 3.57 -0.94 -1.37 116.94 120.69 2qjp h PHE 156 Ca -0.02 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.40 2qjp h PHE 156 Cb 0.25 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 2qjp h PHE 156 CO -0.03 -0.34 -0.31 -1.49 -2.23 0.00 0.00 178.31 173.91 2qjp h TRP 157 N -0.85 0.00 -0.47 0.41 4.06 -1.57 0.68 115.95 118.21 2qjp h TRP 157 Ca -0.07 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.78 2qjp h TRP 157 Cb 0.60 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.74 2qjp h TRP 157 CO -0.01 0.31 -0.10 0.78 -3.56 0.00 0.00 178.44 175.86 2qjp h GLY 158 N 1.12 0.97 1.00 1.49 0.00 -1.27 -0.35 103.07 106.05 2qjp h GLY 158 Ca -0.00 -0.79 -0.00 0.00 0.00 0.00 0.00 47.33 46.53 2qjp h GLY 158 CO 0.04 0.72 0.41 0.00 0.00 0.00 0.00 176.54 177.71 2qjp h ALA 159 N 0.89 0.86 0.62 3.60 0.00 -0.13 -1.91 119.26 123.18 2qjp h ALA 159 Ca 0.12 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2qjp h ALA 159 Cb 0.64 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.17 2qjp h ALA 159 CO 0.04 0.33 -0.30 1.15 0.00 0.00 0.00 179.25 180.48 2qjp h THR 160 N 0.92 0.33 -0.68 0.00 2.02 -0.55 -2.60 112.91 112.35 2qjp h THR 160 Ca 0.24 -0.18 0.06 0.00 0.77 0.00 0.00 66.41 67.30 2qjp h THR 160 Cb -0.03 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 66.73 2qjp h THR 160 CO -0.05 0.02 0.45 0.58 0.37 0.00 0.00 175.52 176.89 2qjp h VAL 161 N -0.96 1.02 0.07 3.16 2.07 -1.00 -0.63 116.25 119.98 2qjp h VAL 161 Ca -0.09 -0.24 -0.26 0.00 0.82 0.00 0.00 66.70 66.94 2qjp h VAL 161 Cb 0.68 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 2qjp h VAL 161 CO 0.14 0.13 -1.21 0.40 0.02 0.00 0.00 177.57 177.05 2qjp h ILE 162 N 0.70 1.51 -0.18 4.57 2.04 -1.37 -2.88 117.51 121.90 2qjp h ILE 162 Ca 0.29 -3.15 -0.16 0.00 1.00 0.00 0.00 64.86 62.84 2qjp h ILE 162 Cb 0.24 2.86 -0.01 0.00 -0.74 0.00 0.00 36.82 39.17 2qjp h ILE 162 CO -0.09 0.90 -0.56 0.71 0.00 0.00 0.00 178.15 179.11 2qjp h THR 163 N 0.04 1.33 -0.62 -0.27 1.35 -1.28 -2.83 112.91 110.62 2qjp h THR 163 Ca -0.11 -1.81 0.13 0.00 -0.55 0.00 0.00 66.41 64.07 2qjp h THR 163 Cb 1.90 1.79 -0.04 0.00 -1.73 0.00 0.00 68.15 70.08 2qjp h THR 163 CO 0.16 0.56 0.42 1.23 -0.25 0.00 0.00 175.52 177.65 2qjp h GLY 164 N 1.08 0.43 0.50 5.82 0.00 -1.07 -1.45 103.07 108.39 2qjp h GLY 164 Ca 0.01 -0.11 0.18 0.00 0.00 0.00 0.00 47.33 47.40 2qjp h GLY 164 CO 0.10 0.05 0.55 1.41 0.00 0.00 0.00 176.54 178.65 2qjp h LEU 165 N 0.27 0.39 -0.25 3.11 3.38 -1.27 0.14 115.31 121.08 2qjp h LEU 165 Ca 0.30 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.23 2qjp h LEU 165 Cb 0.79 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2qjp h LEU 165 CO -0.07 0.18 -0.32 -0.26 0.09 0.00 0.00 178.44 178.07 2qjp h PHE 166 N 0.40 0.00 -0.11 1.13 -1.00 -1.42 -3.04 116.94 112.90 2qjp h PHE 166 Ca 0.42 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 61.18 2qjp h PHE 166 Cb 1.01 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.56 2qjp h PHE 166 CO -0.00 0.32 0.02 0.41 -1.61 0.00 0.00 178.31 177.45 2qjp n GLY 167 N 0.96 1.89 0.05 -1.45 0.00 0.48 -2.50 105.19 104.62 2qjp n GLY 167 Ca 0.02 -0.16 0.02 0.00 0.00 0.00 0.00 46.02 45.90 2qjp n GLY 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qjp n ALA 168 N 0.13 2.51 -2.33 4.61 0.00 -1.15 -4.58 120.51 119.71 2qjp n ALA 168 Ca 0.06 -0.23 -0.42 0.00 0.00 0.00 0.00 53.44 52.85 2qjp n ALA 168 Cb 0.47 -0.15 -0.03 0.00 0.00 0.00 0.00 19.45 19.75 2qjp n ALA 168 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2qjp s ILE 169 N -1.09 3.90 0.33 0.00 1.01 -1.04 -4.63 121.20 119.67 2qjp s ILE 169 Ca 0.03 1.30 -0.29 0.00 0.00 0.00 0.00 60.65 61.68 2qjp s ILE 169 Cb 0.03 -3.83 -0.12 0.00 0.01 0.00 0.00 42.46 38.55 2qjp s ILE 169 CO 0.13 0.03 1.51 -2.65 0.00 0.00 0.00 174.94 173.96 2qjp n PRO 170 N 4.90 2.59 0.00 2.79 -0.02 -1.26 -1.68 135.00 142.32 2qjp n PRO 170 Ca 0.11 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.51 2qjp n PRO 170 Cb 0.45 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 2qjp n PRO 170 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qjp n GLY 171 N 1.35 2.28 0.14 -1.23 0.00 -1.26 -4.20 105.19 102.28 2qjp n GLY 171 Ca 0.05 0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.25 2qjp n GLY 171 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2qjp h ILE 172 N 0.00 0.00 -0.65 -0.61 3.07 -1.97 -3.40 117.51 113.95 2qjp h ILE 172 Ca 0.00 -0.48 0.06 0.00 1.55 0.00 0.00 64.86 65.99 2qjp h ILE 172 Cb 0.00 1.40 -0.08 0.00 -0.27 0.00 0.00 36.82 37.87 2qjp h ILE 172 CO 0.00 0.00 -0.38 0.61 -1.05 0.00 0.00 178.15 177.33 2qjp n GLY 173 N 0.81 -2.61 0.30 0.16 0.00 -0.68 -1.33 105.19 101.84 2qjp n GLY 173 Ca 0.04 0.94 0.14 0.00 0.00 0.00 0.00 46.02 47.15 2qjp n GLY 173 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2qjp h HIS 174 N 0.00 0.00 0.44 1.61 -0.00 -1.80 -1.24 115.15 114.16 2qjp h HIS 174 Ca 0.10 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.45 2qjp h HIS 174 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.68 2qjp h HIS 174 CO -0.94 0.00 -0.21 0.77 -0.00 0.00 0.00 177.93 177.55 2qjp h SER 175 N 0.00 -0.50 -0.67 3.26 0.02 -1.50 -2.16 113.55 112.00 2qjp h SER 175 Ca 0.02 -0.02 0.14 0.00 -0.84 0.00 0.00 61.79 61.09 2qjp h SER 175 Cb 0.11 0.13 -0.11 0.00 0.14 0.00 0.00 62.40 62.67 2qjp h SER 175 CO -0.00 -0.07 0.06 0.40 -1.14 0.00 0.00 176.83 176.08 2qjp h ILE 176 N -1.12 0.48 -0.65 3.27 2.04 -1.04 -0.32 117.51 120.17 2qjp h ILE 176 Ca -0.06 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 2qjp h ILE 176 Cb 0.49 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 2qjp h ILE 176 CO 0.10 0.03 0.31 -0.61 0.00 0.00 0.00 178.15 177.98 2qjp h GLN 177 N 0.16 0.92 0.00 2.37 4.15 -1.28 -1.11 115.11 120.31 2qjp h GLN 177 Ca 0.36 -0.12 -0.09 0.00 0.77 0.00 0.00 58.65 59.57 2qjp h GLN 177 Cb 0.61 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 2qjp h GLN 177 CO -0.54 0.71 -0.44 1.15 -1.93 0.00 0.00 178.83 177.77 2qjp h THR 178 N 0.91 1.05 -0.06 2.39 2.02 -0.41 -2.35 112.91 116.45 2qjp h THR 178 Ca 0.23 -1.68 -0.25 0.00 0.77 0.00 0.00 66.41 65.48 2qjp h THR 178 Cb 0.09 1.98 0.02 0.00 -1.74 0.00 0.00 68.15 68.49 2qjp h THR 178 CO -0.03 0.43 -0.93 -0.25 0.37 0.00 0.00 175.52 175.11 2qjp h TRP 179 N 0.00 1.06 -0.28 3.16 7.01 -0.73 0.55 115.95 126.72 2qjp h TRP 179 Ca -0.00 -0.53 -0.09 0.00 2.11 0.00 0.00 58.89 60.38 2qjp h TRP 179 Cb 0.94 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.85 2qjp h TRP 179 CO 0.00 1.37 -0.19 -0.07 -2.79 0.00 0.00 178.44 176.76 2qjp h LEU 180 N 0.46 0.50 0.00 0.65 3.38 -1.07 -3.03 115.31 116.20 2qjp h LEU 180 Ca -0.10 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2qjp h LEU 180 Cb 1.58 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.19 2qjp h LEU 180 CO 0.19 0.71 -0.76 -0.07 0.09 0.00 0.00 178.44 178.60 2qjp h LEU 181 N 0.46 0.00 0.97 1.67 3.38 -1.39 -3.45 115.31 116.95 2qjp h LEU 181 Ca 0.08 -0.23 -0.37 0.00 0.09 0.00 0.00 57.88 57.44 2qjp h LEU 181 Cb 0.59 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.19 2qjp h LEU 181 CO 0.04 0.12 -0.34 0.61 0.09 0.00 0.00 178.44 178.96 2qjp n GLY 182 N 1.33 1.72 1.63 0.83 0.00 0.18 -3.86 105.19 107.03 2qjp n GLY 182 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.06 2qjp n GLY 182 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qjp n GLY 183 N -0.31 0.46 0.14 -0.02 0.00 -1.18 -4.93 105.19 99.36 2qjp n GLY 183 Ca -0.18 -0.92 0.14 0.00 0.00 0.00 0.00 46.02 45.06 2qjp n GLY 183 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qjp n PRO 184 N -0.38 1.20 -3.83 1.61 -0.04 -1.26 -4.74 135.00 127.56 2qjp n PRO 184 Ca 0.02 -0.29 -0.07 0.00 -0.04 0.00 0.00 63.50 63.12 2qjp n PRO 184 Cb 0.24 -1.46 0.01 0.00 -0.04 0.00 0.00 33.50 32.25 2qjp n PRO 184 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qjp s ALA 185 N -1.99 -1.02 -0.09 0.55 0.00 -1.26 -5.11 121.76 112.84 2qjp s ALA 185 Ca 0.42 -0.53 -0.30 0.00 0.00 0.00 0.00 51.96 51.55 2qjp s ALA 185 Cb 0.20 0.73 -0.02 0.00 0.00 0.00 0.00 23.12 24.03 2qjp s ALA 185 CO 0.33 -1.01 1.14 0.08 0.00 0.00 0.00 175.76 176.30 2qjp s VAL 186 N -2.80 4.44 0.00 0.00 1.01 -1.26 -4.86 120.40 116.94 2qjp s VAL 186 Ca 0.15 1.74 0.00 0.00 0.00 0.00 0.00 61.98 63.87 2qjp s VAL 186 Cb -0.05 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.21 2qjp s VAL 186 CO 0.09 -0.02 0.00 -0.67 0.00 0.00 0.00 175.10 174.50 2qjp n ASP 187 N 5.35 0.00 -0.26 3.32 2.03 -1.26 -5.00 116.55 120.72 2qjp n ASP 187 Ca 0.11 -0.70 0.07 0.00 0.52 0.00 0.00 54.79 54.78 2qjp n ASP 187 Cb 0.47 0.00 0.20 0.00 -0.72 0.00 0.00 41.12 41.07 2qjp n ASP 187 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 2qjp h ASN 188 N 0.00 0.17 -0.74 1.67 -1.24 -1.94 0.17 115.58 113.67 2qjp h ASN 188 Ca 0.00 0.13 0.11 0.00 0.71 0.00 0.00 56.30 57.25 2qjp h ASN 188 Cb 0.00 0.14 -0.05 0.00 0.73 0.00 0.00 38.32 39.14 2qjp h ASN 188 CO 0.00 0.03 0.49 0.00 -1.29 0.00 0.00 177.43 176.65 2qjp h ALA 189 N 1.60 1.89 -0.01 1.57 0.00 -1.92 0.17 119.26 122.56 2qjp h ALA 189 Ca 0.44 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 2qjp h ALA 189 Cb 0.73 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2qjp h ALA 189 CO -0.47 -0.05 -0.02 1.15 0.00 0.00 0.00 179.25 179.86 2qjp h THR 190 N 0.59 1.46 -0.26 0.00 2.02 -0.82 -2.76 112.91 113.15 2qjp h THR 190 Ca 0.35 -1.39 0.05 0.00 0.77 0.00 0.00 66.41 66.19 2qjp h THR 190 Cb 0.55 2.38 -0.05 0.00 -1.74 0.00 0.00 68.15 69.29 2qjp h THR 190 CO -0.12 0.37 -0.06 0.25 0.37 0.00 0.00 175.52 176.32 2qjp h LEU 191 N -0.54 -0.24 -1.25 2.58 5.85 -0.54 -1.45 115.31 119.72 2qjp h LEU 191 Ca 0.00 0.08 0.09 0.00 0.84 0.00 0.00 57.88 58.89 2qjp h LEU 191 Cb 0.61 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.74 2qjp h LEU 191 CO 0.00 -0.08 0.55 -1.13 -0.34 0.00 0.00 178.44 177.44 2qjp h ASN 192 N 0.00 0.76 1.22 1.25 -0.00 -0.74 -0.88 115.58 117.19 2qjp h ASN 192 Ca 0.13 0.02 -0.11 0.00 -0.00 0.00 0.00 56.30 56.33 2qjp h ASN 192 Cb 0.19 -0.14 -0.02 0.00 -0.00 0.00 0.00 38.32 38.35 2qjp h ASN 192 CO -0.27 0.45 -0.82 0.08 -0.00 0.00 0.00 177.43 176.87 2qjp h ARG 193 N 0.84 0.00 -0.30 6.67 0.11 -1.17 -3.10 114.38 117.42 2qjp h ARG 193 Ca 0.39 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 60.31 2qjp h ARG 193 Cb 0.39 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.46 2qjp h ARG 193 CO -0.16 0.36 -0.46 0.74 0.10 0.00 0.00 179.97 180.55 2qjp h PHE 194 N 0.00 0.97 0.26 4.08 -1.00 -0.57 -1.44 116.94 119.23 2qjp h PHE 194 Ca -0.06 -0.31 0.00 0.00 2.81 0.00 0.00 57.97 60.41 2qjp h PHE 194 Cb 1.40 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 40.75 2qjp h PHE 194 CO 0.00 1.10 -0.23 0.35 -1.61 0.00 0.00 178.31 177.92 2qjp h PHE 195 N 0.63 -0.60 -0.51 -0.55 3.57 -1.21 0.40 116.94 118.67 2qjp h PHE 195 Ca 0.04 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.62 2qjp h PHE 195 Cb 1.04 0.23 -0.06 0.00 2.79 0.00 0.00 35.95 39.94 2qjp h PHE 195 CO 0.06 -0.34 0.15 1.03 -2.23 0.00 0.00 178.31 176.97 2qjp h SER 196 N -0.51 0.10 0.30 0.41 0.87 -1.46 -1.72 113.55 111.55 2qjp h SER 196 Ca -0.01 0.07 -0.12 0.00 -1.23 0.00 0.00 61.79 60.51 2qjp h SER 196 Cb 0.46 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 2qjp h SER 196 CO -0.03 0.08 -0.48 -0.07 -0.53 0.00 0.00 176.83 175.80 2qjp h LEU 197 N 0.30 0.24 -1.14 2.23 3.38 -0.91 -1.87 115.31 117.54 2qjp h LEU 197 Ca 0.25 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 2qjp h LEU 197 Cb 0.30 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2qjp h LEU 197 CO -0.29 0.68 -0.03 -0.74 0.09 0.00 0.00 178.44 178.16 2qjp h HIS 198 N 0.18 0.59 -0.13 1.13 2.76 0.43 0.31 115.15 120.42 2qjp h HIS 198 Ca 0.01 -0.07 -0.09 0.00 -2.20 0.00 0.00 60.37 58.02 2qjp h HIS 198 Cb 0.91 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.71 2qjp h HIS 198 CO 0.02 0.59 -0.27 -0.92 -1.30 0.00 0.00 177.93 176.05 2qjp h TYR 199 N 0.53 0.53 -0.32 5.26 5.03 -1.09 -3.35 116.97 123.56 2qjp h TYR 199 Ca 0.11 -0.19 -0.08 0.00 2.58 0.00 0.00 58.73 61.15 2qjp h TYR 199 Cb 0.39 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.56 2qjp h TYR 199 CO 0.01 0.89 -0.11 1.25 -1.32 0.00 0.00 178.16 178.89 2qjp h LEU 200 N 0.01 0.64 -0.77 2.82 5.85 -0.93 -3.35 115.31 119.59 2qjp h LEU 200 Ca 0.00 -0.38 0.11 0.00 0.84 0.00 0.00 57.88 58.45 2qjp h LEU 200 Cb 0.86 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.63 2qjp h LEU 200 CO 0.06 0.88 0.40 -0.07 -0.34 0.00 0.00 178.44 179.36 2qjp h LEU 201 N 0.40 0.51 -1.78 2.25 3.38 -1.07 -2.35 115.31 116.65 2qjp h LEU 201 Ca 0.08 0.07 0.16 0.00 0.09 0.00 0.00 57.88 58.27 2qjp h LEU 201 Cb 0.61 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 2qjp h LEU 201 CO 0.04 0.27 0.46 -0.65 0.09 0.00 0.00 178.44 178.65 2qjp h PRO 202 N 0.64 0.21 0.00 1.13 0.11 -1.72 0.20 132.00 132.57 2qjp h PRO 202 Ca 0.39 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.37 2qjp h PRO 202 Cb 0.44 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.49 2qjp h PRO 202 CO -0.29 0.14 -0.55 0.74 -0.21 0.00 0.00 178.00 177.82 2qjp h PHE 203 N 0.21 0.00 -0.16 0.65 0.04 -1.63 -0.28 116.94 115.77 2qjp h PHE 203 Ca 0.32 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.96 2qjp h PHE 203 Cb 0.97 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.12 2qjp h PHE 203 CO -0.00 0.55 -0.42 0.28 -0.60 0.00 0.00 178.31 178.13 2qjp h VAL 204 N 0.00 1.34 -0.40 -0.55 2.07 -0.67 -1.51 116.25 116.53 2qjp h VAL 204 Ca -0.01 -1.68 0.04 0.00 0.82 0.00 0.00 66.70 65.88 2qjp h VAL 204 Cb 1.01 1.98 -0.04 0.00 -1.52 0.00 0.00 31.29 32.72 2qjp h VAL 204 CO 0.07 0.51 0.17 0.40 0.02 0.00 0.00 177.57 178.75 2qjp h ILE 205 N 0.21 0.93 -0.40 4.57 2.04 -0.88 0.74 117.51 124.73 2qjp h ILE 205 Ca -0.01 -0.12 0.07 0.00 1.00 0.00 0.00 64.86 65.80 2qjp h ILE 205 Cb 1.03 0.54 -0.06 0.00 -0.74 0.00 0.00 36.82 37.58 2qjp h ILE 205 CO 0.09 0.07 0.01 0.00 0.00 0.00 0.00 178.15 178.32 2qjp h ALA 206 N 1.24 0.38 -0.63 1.87 0.00 -0.90 0.58 119.26 121.79 2qjp h ALA 206 Ca 0.18 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 2qjp h ALA 206 Cb 0.13 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2qjp h ALA 206 CO -0.15 -0.38 0.16 0.00 0.00 0.00 0.00 179.25 178.87 2qjp h ALA 207 N 1.35 1.09 -0.49 0.00 0.00 -0.65 -1.37 119.26 119.19 2qjp h ALA 207 Ca 0.20 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2qjp h ALA 207 Cb 0.27 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2qjp h ALA 207 CO -0.32 0.61 0.03 -0.07 0.00 0.00 0.00 179.25 179.50 2qjp h LEU 208 N 0.94 0.82 -1.36 0.00 3.38 0.50 -2.20 115.31 117.40 2qjp h LEU 208 Ca 0.20 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 57.93 2qjp h LEU 208 Cb 0.33 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 2qjp h LEU 208 CO -0.00 0.91 0.48 0.58 0.09 0.00 0.00 178.44 180.50 2qjp h VAL 209 N 0.71 1.05 -0.14 1.22 2.07 0.64 0.39 116.25 122.18 2qjp h VAL 209 Ca 0.14 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.41 2qjp h VAL 209 Cb 0.47 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 2qjp h VAL 209 CO 0.02 0.15 0.03 0.00 0.02 0.00 0.00 177.57 177.78 2qjp h ALA 210 N 1.60 0.14 -0.57 1.67 0.00 -0.65 -0.27 119.26 121.17 2qjp h ALA 210 Ca 0.31 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.17 2qjp h ALA 210 Cb 0.19 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2qjp h ALA 210 CO -0.10 -0.42 0.05 0.82 0.00 0.00 0.00 179.25 179.60 2qjp h ILE 211 N 0.09 1.25 0.06 0.00 2.04 -0.73 -1.20 117.51 119.02 2qjp h ILE 211 Ca 0.06 -1.02 0.03 0.00 1.00 0.00 0.00 64.86 64.93 2qjp h ILE 211 Cb 0.06 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 2qjp h ILE 211 CO -0.08 0.37 -0.29 -0.74 0.00 0.00 0.00 178.15 177.41 2qjp h HIS 212 N 0.88 -0.78 -0.07 1.37 2.76 0.26 0.41 115.15 119.97 2qjp h HIS 212 Ca 0.17 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.40 2qjp h HIS 212 Cb 0.45 0.34 -0.04 0.00 1.55 0.00 0.00 27.41 29.70 2qjp h HIS 212 CO 0.03 -0.39 -0.18 0.82 -1.30 0.00 0.00 177.93 176.91 2qjp h ILE 213 N -0.47 0.56 -0.92 6.26 2.04 -0.86 -0.71 117.51 123.41 2qjp h ILE 213 Ca 0.05 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.04 2qjp h ILE 213 Cb 0.53 0.56 -0.09 0.00 -0.74 0.00 0.00 36.82 37.07 2qjp h ILE 213 CO -0.21 0.00 0.53 -0.25 0.00 0.00 0.00 178.15 178.22 2qjp h TRP 214 N -0.25 0.95 0.22 1.37 7.01 -0.71 -1.82 115.95 122.72 2qjp h TRP 214 Ca 0.08 0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.12 2qjp h TRP 214 Cb 0.36 -0.29 -0.04 0.00 -2.10 0.00 0.00 29.16 27.10 2qjp h TRP 214 CO -0.26 0.31 -0.41 0.00 -2.79 0.00 0.00 178.44 175.29 2qjp h ALA 215 N 1.55 -0.78 0.00 2.65 0.00 0.13 -1.89 119.26 120.91 2qjp h ALA 215 Ca 0.48 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2qjp h ALA 215 Cb 0.59 0.65 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2qjp h ALA 215 CO -0.31 -1.00 0.00 0.27 0.00 0.00 0.00 179.25 178.21 2qjp h PHE 216 N -0.71 0.00 0.00 0.00 -5.15 -1.12 -2.34 116.94 107.61 2qjp h PHE 216 Ca 0.00 0.00 -0.09 0.00 -0.20 0.00 0.00 57.97 57.69 2qjp h PHE 216 Cb 0.69 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.85 2qjp h PHE 216 CO -0.31 0.00 -0.41 0.45 -2.00 0.00 0.00 178.31 176.04 2qjp h HIS 217 N 0.00 0.00 -0.03 6.09 3.86 -0.96 0.70 115.15 124.81 2qjp h HIS 217 Ca 0.00 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.05 2qjp h HIS 217 Cb 0.64 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.09 2qjp h HIS 217 CO 0.00 0.41 -0.69 0.77 0.86 0.00 0.00 177.93 179.28 2qjp h SER 218 N 0.00 0.17 0.00 2.45 0.02 -0.79 -3.33 113.55 112.07 2qjp h SER 218 Ca -0.00 -0.11 -0.10 0.00 -0.84 0.00 0.00 61.79 60.74 2qjp h SER 218 Cb 0.93 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.40 2qjp h SER 218 CO 0.05 0.80 -1.85 0.35 -1.14 0.00 0.00 176.83 175.05 2qjp n THR 219 N -3.77 0.36 0.00 -2.27 -2.24 -1.11 -4.29 114.28 100.97 2qjp n THR 219 Ca -0.02 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 2qjp n THR 219 Cb 0.68 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 2qjp n THR 219 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qjp n GLY 220 N 1.75 1.27 3.78 3.38 0.00 0.24 -4.65 105.19 110.96 2qjp n GLY 220 Ca -0.11 -1.64 -0.35 0.00 0.00 0.00 0.00 46.02 43.93 2qjp n GLY 220 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qjp s ASN 221 N -0.52 6.09 0.28 1.61 0.01 -1.25 -4.85 114.94 116.31 2qjp s ASN 221 Ca 0.00 2.11 -0.16 0.00 -0.71 0.00 0.00 52.86 54.10 2qjp s ASN 221 Cb 0.00 -2.58 -0.09 0.00 0.41 0.00 0.00 41.25 39.00 2qjp s ASN 221 CO 0.00 -0.96 0.71 0.21 -1.51 0.00 0.00 177.10 175.55 2qjp s ASN 222 N -1.74 6.84 0.43 -1.22 2.47 -1.26 -4.84 114.94 115.63 2qjp s ASN 222 Ca 0.68 1.28 0.07 0.00 0.42 0.00 0.00 52.86 55.31 2qjp s ASN 222 Cb -0.22 -2.37 -0.04 0.00 -1.45 0.00 0.00 41.25 37.16 2qjp s ASN 222 CO 0.26 -0.12 0.19 0.54 -3.72 0.00 0.00 177.10 174.25 2qjp s ASN 223 N -2.08 4.41 0.20 -4.21 2.20 -1.26 -5.02 114.94 109.18 2qjp s ASN 223 Ca 0.50 -1.15 0.13 0.00 -0.94 0.00 0.00 52.86 51.40 2qjp s ASN 223 Cb -0.12 -0.31 0.69 0.00 -2.00 0.00 0.00 41.25 39.50 2qjp s ASN 223 CO 0.19 -0.62 1.36 -2.65 -2.94 0.00 0.00 177.10 172.44 2qjp n PRO 224 N -1.29 0.08 0.00 3.55 -0.02 -1.26 -1.85 135.00 134.21 2qjp n PRO 224 Ca -0.03 0.57 0.10 0.00 -2.02 0.00 0.00 63.50 62.12 2qjp n PRO 224 Cb 0.65 -1.82 -0.05 0.00 -0.02 0.00 0.00 33.50 32.26 2qjp n PRO 224 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2qjp n THR 225 N -1.94 0.00 -0.82 3.45 -2.24 -1.26 -4.78 114.28 106.69 2qjp n THR 225 Ca -0.01 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2qjp n THR 225 Cb 0.07 1.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 2qjp n THR 225 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qjp n GLY 226 N 1.42 0.30 3.66 3.38 0.00 -0.77 -4.48 105.19 108.70 2qjp n GLY 226 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 2qjp n GLY 226 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qjp s VAL 227 N -1.83 5.14 0.87 1.61 1.01 -1.26 -4.75 120.40 121.19 2qjp s VAL 227 Ca 0.00 0.83 -0.10 0.00 0.00 0.00 0.00 61.98 62.71 2qjp s VAL 227 Cb 0.00 -3.79 0.12 0.00 0.00 0.00 0.00 36.38 32.71 2qjp s VAL 227 CO 0.00 0.20 1.12 -1.61 0.00 0.00 0.00 175.10 174.81 2qjp s GLU 228 N 1.59 1.42 0.41 2.72 0.41 -1.26 -4.72 118.70 119.27 2qjp s GLU 228 Ca 0.21 1.39 -0.24 0.00 -0.41 0.00 0.00 54.97 55.93 2qjp s GLU 228 Cb -0.15 -1.78 -0.09 0.00 -1.78 0.00 0.00 34.13 30.33 2qjp s GLU 228 CO 0.09 -2.30 1.07 0.08 -0.49 0.00 0.00 175.26 173.71 2qjp s VAL 229 N -2.74 3.61 0.18 2.63 1.01 -1.26 -4.68 120.40 119.15 2qjp s VAL 229 Ca 0.65 1.23 -0.30 0.00 0.00 0.00 0.00 61.98 63.56 2qjp s VAL 229 Cb -0.21 -3.64 -0.08 0.00 0.00 0.00 0.00 36.38 32.46 2qjp s VAL 229 CO 0.57 0.01 1.15 -0.13 0.00 0.00 0.00 175.10 176.70 2qjp s ARG 230 N -2.52 4.54 -0.16 2.72 0.52 -1.26 -4.94 118.95 117.84 2qjp s ARG 230 Ca 0.59 1.80 0.14 0.00 -0.52 0.00 0.00 55.73 57.74 2qjp s ARG 230 Cb -0.23 -3.26 0.40 0.00 0.52 0.00 0.00 34.95 32.38 2qjp s ARG 230 CO 0.29 -0.02 1.20 0.54 0.02 0.00 0.00 175.30 177.33 2qjp n ARG 231 N 2.46 1.23 0.01 3.54 1.74 -1.26 -3.99 116.66 120.40 2qjp n ARG 231 Ca 0.04 -2.96 0.11 0.00 -0.77 0.00 0.00 57.85 54.27 2qjp n ARG 231 Cb 0.45 -1.28 0.09 0.00 -1.02 0.00 0.00 32.46 30.70 2qjp n ARG 231 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2qjp n THR 232 N -0.82 0.09 -3.65 0.55 -2.24 -1.26 -4.79 114.28 102.16 2qjp n THR 232 Ca 0.16 -0.11 -0.02 0.00 -2.27 0.00 0.00 64.05 61.80 2qjp n THR 232 Cb 0.77 0.34 -0.07 0.00 -2.10 0.00 0.00 70.33 69.28 2qjp n THR 232 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2qjp s SER 233 N -3.44 -0.15 0.34 3.42 1.04 -1.26 -5.00 113.70 108.64 2qjp s SER 233 Ca 0.07 0.28 0.13 0.00 0.48 0.00 0.00 55.95 56.91 2qjp s SER 233 Cb 0.16 0.55 1.05 0.00 0.10 0.00 0.00 66.02 67.88 2qjp s SER 233 CO 0.77 -0.05 1.63 0.11 0.98 0.00 0.00 173.24 176.69 2qjp h LYS 234 N 4.07 0.20 -0.28 4.02 1.57 -1.92 0.00 116.57 124.24 2qjp h LYS 234 Ca -0.27 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.53 2qjp h LYS 234 Cb 1.18 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.40 2qjp h LYS 234 CO 0.19 0.13 -0.31 0.00 -0.57 0.00 0.00 179.45 178.89 2qjp h ALA 235 N 1.88 -0.52 0.00 3.86 0.00 -1.94 0.25 119.26 122.79 2qjp h ALA 235 Ca 0.72 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.62 2qjp h ALA 235 Cb 1.66 0.98 -0.00 0.00 0.00 0.00 0.00 17.79 20.43 2qjp h ALA 235 CO -0.68 -0.68 -0.11 1.05 0.00 0.00 0.00 179.25 178.83 2qjp h GLU 236 N -0.18 0.00 -0.56 0.00 4.11 -1.70 -3.18 114.58 113.07 2qjp h GLU 236 Ca 0.05 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.44 2qjp h GLU 236 Cb 0.31 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2qjp h GLU 236 CO -0.36 0.06 0.18 0.00 0.07 0.00 0.00 179.01 178.97 2qjp h ALA 237 N 1.93 1.27 0.00 1.06 0.00 -0.38 -0.78 119.26 122.36 2qjp h ALA 237 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2qjp h ALA 237 Cb 1.05 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2qjp h ALA 237 CO 0.01 0.52 0.00 1.96 0.00 0.00 0.00 179.25 181.74 2qjp h GLN 238 N 0.81 0.00 0.00 0.00 4.20 -0.95 -1.77 115.11 117.40 2qjp h GLN 238 Ca 0.19 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.76 2qjp h GLN 238 Cb 0.23 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 2qjp h GLN 238 CO -0.01 0.00 -0.67 0.87 -0.67 0.00 0.00 178.83 178.35 2qjp h LYS 239 N 0.00 0.00 0.00 1.46 1.57 -1.18 -3.22 116.57 115.20 2qjp h LYS 239 Ca 0.00 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 2qjp h LYS 239 Cb 0.66 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.93 2qjp h LYS 239 CO 0.00 0.67 -1.57 -0.25 -0.57 0.00 0.00 179.45 177.73 2qjp n ASP 240 N -3.64 0.77 -4.55 0.86 8.00 -1.06 -4.32 116.55 112.60 2qjp n ASP 240 Ca -0.01 0.34 -0.28 0.00 0.71 0.00 0.00 54.79 55.55 2qjp n ASP 240 Cb 0.68 0.25 -0.04 0.00 -0.02 0.00 0.00 41.12 41.99 2qjp n ASP 240 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2qjp n THR 241 N -2.88 0.00 -3.72 -3.53 -2.24 -0.69 -1.47 114.28 99.75 2qjp n THR 241 Ca -0.13 -2.17 -0.14 0.00 -2.27 0.00 0.00 64.05 59.35 2qjp n THR 241 Cb 0.90 0.27 -0.09 0.00 -2.10 0.00 0.00 70.33 69.31 2qjp n THR 241 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2qjp s VAL 242 N -2.65 0.02 0.44 2.28 -7.23 -0.60 -4.74 120.40 107.93 2qjp s VAL 242 Ca 0.10 -0.20 -0.25 0.00 -1.81 0.00 0.00 61.98 59.82 2qjp s VAL 242 Cb -0.01 -0.64 -0.08 0.00 0.56 0.00 0.00 36.38 36.21 2qjp s VAL 242 CO 0.06 -0.11 1.36 -2.16 -0.31 0.00 0.00 175.10 173.94 2qjp s PRO 243 N -0.58 3.74 0.26 4.82 0.04 -1.26 -1.15 135.00 140.87 2qjp s PRO 243 Ca -0.07 2.26 -0.01 0.00 0.04 0.00 0.00 61.00 63.22 2qjp s PRO 243 Cb -0.04 -2.64 0.52 0.00 0.04 0.00 0.00 34.50 32.39 2qjp s PRO 243 CO 0.03 -0.72 1.78 0.35 0.04 0.00 0.00 177.00 178.48 2qjp h PHE 244 N 2.35 0.82 -3.09 0.56 3.57 -1.44 -3.35 116.94 116.35 2qjp h PHE 244 Ca -0.50 0.03 -0.63 0.00 3.53 0.00 0.00 57.97 60.40 2qjp h PHE 244 Cb 1.26 -0.23 -0.12 0.00 2.79 0.00 0.00 35.95 39.65 2qjp h PHE 244 CO 0.51 0.23 -0.52 -0.46 -2.23 0.00 0.00 178.31 175.84 2qjp s TRP 245 N -5.97 3.40 -1.19 0.41 -0.11 -0.96 -0.63 118.94 113.88 2qjp s TRP 245 Ca -0.12 0.31 0.24 0.00 1.22 0.00 0.00 56.10 57.75 2qjp s TRP 245 Cb 0.21 -2.04 0.24 0.00 -1.50 0.00 0.00 33.47 30.38 2qjp s TRP 245 CO 0.78 0.40 1.23 -0.35 -4.62 0.00 0.00 176.95 174.39 2qjp n PRO 246 N 2.96 0.21 -0.11 5.86 -0.04 -1.26 -4.94 135.00 137.68 2qjp n PRO 246 Ca -0.18 -0.15 -0.12 0.00 -0.04 0.00 0.00 63.50 63.02 2qjp n PRO 246 Cb 0.53 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.41 2qjp n PRO 246 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2qjp h TYR 247 N 0.37 -1.43 0.00 0.54 0.05 -1.68 -0.68 116.97 114.14 2qjp h TYR 247 Ca 0.00 0.07 -0.20 0.00 0.05 0.00 0.00 58.73 58.65 2qjp h TYR 247 Cb 0.52 0.67 -0.03 0.00 1.01 0.00 0.00 36.73 38.90 2qjp h TYR 247 CO 0.00 -0.41 -1.04 0.74 -1.05 0.00 0.00 178.16 176.40 2qjp h PHE 248 N -0.34 0.00 -0.71 4.88 0.04 -1.08 -2.58 116.94 117.14 2qjp h PHE 248 Ca 0.06 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.86 2qjp h PHE 248 Cb 0.50 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.61 2qjp h PHE 248 CO -0.70 0.85 0.45 0.82 -0.60 0.00 0.00 178.31 179.12 2qjp h ILE 249 N 0.00 1.11 -0.14 -0.55 1.08 -1.36 -0.11 117.51 117.53 2qjp h ILE 249 Ca -0.07 -0.30 -0.06 0.00 -0.39 0.00 0.00 64.86 64.04 2qjp h ILE 249 Cb 1.70 0.14 -0.00 0.00 -3.07 0.00 0.00 36.82 35.60 2qjp h ILE 249 CO 0.10 0.16 -0.14 0.40 -0.69 0.00 0.00 178.15 177.98 2qjp h ILE 250 N 0.88 1.35 -0.05 -0.67 5.03 -1.16 -2.09 117.51 120.80 2qjp h ILE 250 Ca 0.28 -1.29 0.01 0.00 -0.12 0.00 0.00 64.86 63.74 2qjp h ILE 250 Cb 0.01 1.88 -0.00 0.00 -3.03 0.00 0.00 36.82 35.67 2qjp h ILE 250 CO -0.10 0.38 0.04 0.50 -0.68 0.00 0.00 178.15 178.29 2qjp h LYS 251 N -0.03 0.00 0.01 2.37 3.64 -1.22 0.13 116.57 121.48 2qjp h LYS 251 Ca 0.02 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2qjp h LYS 251 Cb 0.67 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 2qjp h LYS 251 CO 0.03 0.00 -0.01 -0.44 -2.27 0.00 0.00 179.45 176.77 2qjp h ASP 252 N 0.00 -0.01 -0.95 4.20 5.19 -0.87 -1.73 116.42 122.25 2qjp h ASP 252 Ca 0.02 -0.72 0.01 0.00 -0.62 0.00 0.00 57.03 55.73 2qjp h ASP 252 Cb 0.11 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.57 2qjp h ASP 252 CO -0.00 0.72 0.63 0.58 -3.12 0.00 0.00 179.24 178.05 2qjp h VAL 253 N -0.76 1.24 0.08 -1.35 2.07 -0.77 0.37 116.25 117.12 2qjp h VAL 253 Ca -0.00 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 2qjp h VAL 253 Cb 0.73 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 2qjp h VAL 253 CO 0.00 0.23 -0.04 0.15 0.02 0.00 0.00 177.57 177.94 2qjp h PHE 254 N 1.27 -0.09 -0.58 1.57 3.57 -1.04 -0.75 116.94 120.89 2qjp h PHE 254 Ca 0.35 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.89 2qjp h PHE 254 Cb -0.14 0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.59 2qjp h PHE 254 CO -0.00 0.03 0.32 0.00 -2.23 0.00 0.00 178.31 176.43 2qjp h ALA 255 N 0.72 0.76 -0.85 2.41 0.00 -0.60 -2.12 119.26 119.58 2qjp h ALA 255 Ca -0.01 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2qjp h ALA 255 Cb 0.17 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2qjp h ALA 255 CO 0.02 0.00 0.56 -0.07 0.00 0.00 0.00 179.25 179.76 2qjp h LEU 256 N 0.62 0.95 -0.56 0.00 3.38 -0.01 -0.74 115.31 118.95 2qjp h LEU 256 Ca 0.25 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 2qjp h LEU 256 Cb 0.12 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2qjp h LEU 256 CO -0.15 0.67 0.20 0.00 0.09 0.00 0.00 178.44 179.26 2qjp h ALA 257 N 1.48 0.73 -0.35 1.53 0.00 -0.49 0.24 119.26 122.40 2qjp h ALA 257 Ca 0.33 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 2qjp h ALA 257 Cb -0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2qjp h ALA 257 CO -0.08 0.36 -0.03 0.28 0.00 0.00 0.00 179.25 179.77 2qjp h VAL 258 N 0.77 1.27 0.10 0.00 2.07 -0.98 -0.11 116.25 119.37 2qjp h VAL 258 Ca 0.18 -1.05 -0.00 0.00 0.82 0.00 0.00 66.70 66.65 2qjp h VAL 258 Cb 0.23 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 2qjp h VAL 258 CO -0.01 0.34 -0.05 0.58 0.02 0.00 0.00 177.57 178.45 2qjp h VAL 259 N 0.44 0.97 -0.01 2.57 2.07 -0.97 -2.44 116.25 118.88 2qjp h VAL 259 Ca 0.09 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2qjp h VAL 259 Cb 0.51 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2qjp h VAL 259 CO 0.02 0.06 0.01 -0.07 0.02 0.00 0.00 177.57 177.61 2qjp h LEU 260 N -0.25 0.00 0.10 2.57 3.38 -0.47 0.73 115.31 121.38 2qjp h LEU 260 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2qjp h LEU 260 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2qjp h LEU 260 CO 0.02 0.00 -0.05 0.25 0.09 0.00 0.00 178.44 178.75 2qjp h LEU 261 N 0.00 -0.11 -0.27 1.67 5.85 -0.55 0.26 115.31 122.15 2qjp h LEU 261 Ca 0.00 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 2qjp h LEU 261 Cb 0.01 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2qjp h LEU 261 CO -0.00 0.07 0.06 0.58 -0.34 0.00 0.00 178.44 178.81 2qjp h VAL 262 N -0.29 1.22 -0.33 1.05 2.07 -1.03 -1.76 116.25 117.17 2qjp h VAL 262 Ca -0.01 -0.73 0.06 0.00 0.82 0.00 0.00 66.70 66.83 2qjp h VAL 262 Cb 0.24 1.18 -0.06 0.00 -1.52 0.00 0.00 31.29 31.14 2qjp h VAL 262 CO 0.02 0.24 -0.03 0.15 0.02 0.00 0.00 177.57 177.97 2qjp h PHE 263 N 0.27 -0.08 -0.03 1.57 3.57 -0.72 0.10 116.94 121.62 2qjp h PHE 263 Ca 0.08 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.53 2qjp h PHE 263 Cb 0.30 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 2qjp h PHE 263 CO 0.02 -0.10 -0.37 0.74 -2.23 0.00 0.00 178.31 176.37 2qjp h PHE 264 N 0.05 0.06 -0.72 0.41 0.04 -0.42 -0.35 116.94 116.02 2qjp h PHE 264 Ca 0.16 -0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.85 2qjp h PHE 264 Cb 0.23 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.34 2qjp h PHE 264 CO -0.27 0.42 0.18 0.00 -0.60 0.00 0.00 178.31 178.05 2qjp h ALA 265 N 1.58 0.96 0.30 2.45 0.00 -0.36 0.37 119.26 124.57 2qjp h ALA 265 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2qjp h ALA 265 Cb 0.68 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2qjp h ALA 265 CO 0.05 0.67 -0.15 0.82 0.00 0.00 0.00 179.25 180.64 2qjp h ILE 266 N 1.09 0.73 -0.68 0.00 1.08 -0.11 -0.56 117.51 119.05 2qjp h ILE 266 Ca 0.23 -0.37 -0.03 0.00 -0.39 0.00 0.00 64.86 64.29 2qjp h ILE 266 Cb 0.36 0.93 -0.03 0.00 -3.07 0.00 0.00 36.82 35.01 2qjp h ILE 266 CO 0.00 0.08 0.29 0.58 -0.69 0.00 0.00 178.15 178.41 2qjp h VAL 267 N -0.61 1.23 -0.11 1.67 2.07 -0.92 0.12 116.25 119.69 2qjp h VAL 267 Ca -0.04 -0.70 -0.08 0.00 0.82 0.00 0.00 66.70 66.70 2qjp h VAL 267 Cb 0.44 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2qjp h VAL 267 CO 0.07 0.28 -0.24 1.23 0.02 0.00 0.00 177.57 178.94 2qjp h GLY 268 N 1.05 0.40 0.00 2.17 0.00 -0.21 -3.36 103.07 103.13 2qjp h GLY 268 Ca 0.23 -0.47 -0.30 0.00 0.00 0.00 0.00 47.33 46.79 2qjp h GLY 268 CO -0.02 0.42 -2.11 0.69 0.00 0.00 0.00 176.54 175.52 2qjp n PHE 269 N -4.48 0.00 -3.00 5.60 3.72 -0.22 -4.77 117.46 114.31 2qjp n PHE 269 Ca -0.07 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.16 2qjp n PHE 269 Cb 0.44 -0.80 -0.01 0.00 -0.94 0.00 0.00 39.48 38.16 2qjp n PHE 269 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2qjp n MET 270 N -2.61 1.33 0.19 -1.08 0.00 0.31 -4.95 117.12 110.31 2qjp n MET 270 Ca -0.27 -3.53 0.16 0.00 0.00 0.00 0.00 57.70 54.06 2qjp n MET 270 Cb 1.03 -1.65 0.78 0.00 0.00 0.00 0.00 33.22 33.37 2qjp n MET 270 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 2qjp h PRO 271 N 2.98 0.00 -0.56 3.17 0.13 -1.45 -2.80 132.00 133.48 2qjp h PRO 271 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2qjp h PRO 271 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2qjp h PRO 271 CO 0.54 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.40 2qjp n ASN 272 N -4.06 3.50 0.20 1.44 3.02 -1.26 -4.64 115.26 113.46 2qjp n ASN 272 Ca 0.02 -1.99 -0.14 0.00 -0.03 0.00 0.00 54.58 52.43 2qjp n ASN 272 Cb 0.30 -0.37 -0.08 0.00 -0.61 0.00 0.00 39.78 39.02 2qjp n ASN 272 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2qjp h TYR 273 N 3.34 -0.46 0.00 3.10 3.20 -1.88 -3.04 116.97 121.24 2qjp h TYR 273 Ca 0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2qjp h TYR 273 Cb 0.88 0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.30 2qjp h TYR 273 CO 0.37 -0.17 0.00 1.28 -1.64 0.00 0.00 178.16 178.00 2qjp n LEU 274 N -5.22 0.69 0.00 2.82 4.77 -1.26 -4.83 117.00 113.97 2qjp n LEU 274 Ca -0.10 -0.35 -0.23 0.00 -0.03 0.00 0.00 56.01 55.30 2qjp n LEU 274 Cb 0.26 -0.35 -0.04 0.00 -2.33 0.00 0.00 43.42 40.97 2qjp n LEU 274 CO 0.33 0.17 -0.12 0.61 -1.33 0.00 0.00 177.39 177.05 2qjp n GLY 275 N 0.13 3.51 3.11 -0.72 0.00 -1.15 -4.80 105.19 105.27 2qjp n GLY 275 Ca 0.00 -2.31 -0.33 0.00 0.00 0.00 0.00 46.02 43.38 2qjp n GLY 275 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2qjp s HIS 276 N -2.25 3.03 0.53 1.61 2.46 -1.26 -5.01 115.29 114.41 2qjp s HIS 276 Ca 0.06 -1.91 0.36 0.00 0.47 0.00 0.00 55.06 54.04 2qjp s HIS 276 Cb -0.00 -1.95 1.53 0.00 -0.13 0.00 0.00 32.58 32.03 2qjp s HIS 276 CO 0.04 -0.82 1.78 -1.35 -2.47 0.00 0.00 174.74 171.91 2qjp h PRO 277 N 7.88 0.04 0.00 2.88 0.11 -1.98 -1.11 132.00 139.82 2qjp h PRO 277 Ca -0.33 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.77 2qjp h PRO 277 Cb 1.09 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 2qjp h PRO 277 CO 0.55 0.02 -0.06 -0.44 -0.21 0.00 0.00 178.00 177.87 2qjp h ASP 278 N 0.04 0.00 0.00 -2.05 3.32 -1.96 -2.16 116.42 113.62 2qjp h ASP 278 Ca 0.61 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.66 2qjp h ASP 278 Cb 2.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.90 2qjp h ASP 278 CO -0.05 0.06 0.00 -3.20 -1.72 0.00 0.00 179.24 174.34 2qjp n ASN 279 N -3.28 0.00 -1.40 6.45 5.15 -0.42 -1.39 115.26 120.36 2qjp n ASN 279 Ca -0.01 -1.56 0.10 0.00 -0.60 0.00 0.00 54.58 52.51 2qjp n ASN 279 Cb 0.25 0.00 0.33 0.00 -0.53 0.00 0.00 39.78 39.83 2qjp n ASN 279 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2qjp n TYR 280 N -0.63 1.19 -5.08 1.20 4.01 -0.81 -4.50 117.16 112.54 2qjp n TYR 280 Ca 0.06 -0.57 -0.32 0.00 -0.16 0.00 0.00 57.90 56.91 2qjp n TYR 280 Cb 0.03 -0.13 -0.17 0.00 -0.31 0.00 0.00 39.34 38.76 2qjp n TYR 280 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2qjp s ILE 281 N -1.47 2.14 0.32 -0.72 1.01 -0.49 -5.04 121.20 116.96 2qjp s ILE 281 Ca 0.48 -0.98 -0.29 0.00 0.00 0.00 0.00 60.65 59.86 2qjp s ILE 281 Cb 0.28 -1.83 -0.12 0.00 0.01 0.00 0.00 42.46 40.80 2qjp s ILE 281 CO 0.27 0.55 1.36 -0.62 0.00 0.00 0.00 174.94 176.50 2qjp n GLU 282 N 3.62 2.22 -1.62 2.79 1.02 -1.26 -0.02 120.64 127.40 2qjp n GLU 282 Ca -0.19 0.78 -0.48 0.00 -0.02 0.00 0.00 57.16 57.25 2qjp n GLU 282 Cb 0.53 -2.41 -0.04 0.00 -0.02 0.00 0.00 31.44 29.50 2qjp n GLU 282 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qjp n ALA 283 N 0.77 0.09 -3.98 0.62 0.00 -0.69 -4.30 120.51 113.01 2qjp n ALA 283 Ca 0.06 0.46 -0.31 0.00 0.00 0.00 0.00 53.44 53.65 2qjp n ALA 283 Cb 0.36 -2.16 -0.15 0.00 0.00 0.00 0.00 19.45 17.49 2qjp n ALA 283 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2qjp s ASN 284 N 0.35 4.15 0.00 0.00 3.84 -1.26 -4.92 114.94 117.10 2qjp s ASN 284 Ca 0.75 -1.36 0.17 0.00 0.21 0.00 0.00 52.86 52.63 2qjp s ASN 284 Cb -0.79 -1.34 1.01 0.00 -0.55 0.00 0.00 41.25 39.59 2qjp s ASN 284 CO 0.48 -0.24 1.43 -0.81 -2.79 0.00 0.00 177.10 175.16 2qjp n PRO 285 N 4.56 0.60 -0.12 0.43 -0.04 -1.26 -2.88 135.00 136.29 2qjp n PRO 285 Ca -0.11 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.41 2qjp n PRO 285 Cb 0.43 -1.44 0.12 0.00 -0.04 0.00 0.00 33.50 32.57 2qjp n PRO 285 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2qjp n LEU 286 N -0.94 2.61 -3.63 1.53 4.77 -1.26 -4.99 117.00 115.10 2qjp n LEU 286 Ca 0.13 -1.60 -0.13 0.00 -0.03 0.00 0.00 56.01 54.38 2qjp n LEU 286 Cb 0.06 -0.15 -0.07 0.00 -2.33 0.00 0.00 43.42 40.93 2qjp n LEU 286 CO 0.10 0.60 0.42 -0.55 -1.33 0.00 0.00 177.39 176.62 2qjp s SER 287 N -1.01 -0.77 -0.22 -1.43 0.15 -1.14 -5.14 113.70 104.14 2qjp s SER 287 Ca 0.21 1.45 -0.05 0.00 0.70 0.00 0.00 55.95 58.25 2qjp s SER 287 Cb 0.12 1.44 -0.02 0.00 -1.71 0.00 0.00 66.02 65.85 2qjp s SER 287 CO 0.16 -0.25 -0.00 -0.89 1.20 0.00 0.00 173.24 173.47 2qjp s THR 288 N 0.57 3.80 0.02 6.45 2.01 -1.26 -4.66 115.64 122.57 2qjp s THR 288 Ca -0.01 -0.36 -0.38 0.00 0.31 0.00 0.00 61.69 61.25 2qjp s THR 288 Cb -0.05 -2.73 -0.17 0.00 0.01 0.00 0.00 72.50 69.56 2qjp s THR 288 CO -0.02 0.41 1.36 -2.65 -0.69 0.00 0.00 174.62 173.03 2qjp n PRO 289 N 4.58 0.98 -0.04 4.92 -0.02 -1.26 -4.82 135.00 139.34 2qjp n PRO 289 Ca -0.17 0.36 0.23 0.00 -2.02 0.00 0.00 63.50 61.89 2qjp n PRO 289 Cb 0.51 -1.98 0.71 0.00 -0.02 0.00 0.00 33.50 32.72 2qjp n PRO 289 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qjp h ALA 290 N 4.71 2.57 -0.51 3.55 0.00 -2.06 -1.58 119.26 125.95 2qjp h ALA 290 Ca -0.48 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.26 2qjp h ALA 290 Cb 1.35 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 19.09 2qjp h ALA 290 CO 0.79 -0.79 0.12 0.72 0.00 0.00 0.00 179.25 180.09 2qjp n HIS 291 N -4.28 1.68 -1.50 0.00 8.25 -1.26 -5.02 115.22 113.08 2qjp n HIS 291 Ca 0.12 -1.23 -0.41 0.00 -0.26 0.00 0.00 57.72 55.95 2qjp n HIS 291 Cb 0.71 -0.54 0.01 0.00 1.12 0.00 0.00 29.99 31.30 2qjp n HIS 291 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 2qjp n ILE 292 N -0.55 2.09 -3.62 1.59 3.06 -0.60 -4.99 119.36 116.35 2qjp n ILE 292 Ca 0.34 -0.50 -0.04 0.00 -2.50 0.00 0.00 62.75 60.05 2qjp n ILE 292 Cb 1.16 -0.73 -0.06 0.00 0.54 0.00 0.00 39.64 40.55 2qjp n ILE 292 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 2qjp s VAL 293 N -1.45 -0.24 1.10 9.51 1.01 -1.26 -5.11 120.40 123.95 2qjp s VAL 293 Ca 0.65 0.00 -0.17 0.00 0.00 0.00 0.00 61.98 62.46 2qjp s VAL 293 Cb -0.56 -1.00 0.12 0.00 0.00 0.00 0.00 36.38 34.93 2qjp s VAL 293 CO 0.57 0.00 0.21 -2.65 0.00 0.00 0.00 175.10 173.23 2qjp n PRO 294 N 4.44 -1.49 -2.29 2.72 -0.02 -1.26 -4.90 135.00 132.20 2qjp n PRO 294 Ca -0.17 -0.41 -0.41 0.00 -2.02 0.00 0.00 63.50 60.49 2qjp n PRO 294 Cb 0.56 -1.79 -0.03 0.00 -0.02 0.00 0.00 33.50 32.22 2qjp n PRO 294 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2qjp s GLU 295 N -3.61 4.47 0.32 -0.52 8.01 -1.26 -4.78 118.70 121.32 2qjp s GLU 295 Ca 0.58 1.99 0.07 0.00 0.01 0.00 0.00 54.97 57.62 2qjp s GLU 295 Cb -0.15 -3.17 0.89 0.00 -4.31 0.00 0.00 34.13 27.39 2qjp s GLU 295 CO 0.66 -0.08 1.62 0.11 0.01 0.00 0.00 175.26 177.58 2qjp h TRP 296 N 4.49 0.43 0.00 1.61 5.08 -1.90 1.17 115.95 126.83 2qjp h TRP 296 Ca -0.46 0.05 0.00 0.00 1.08 0.00 0.00 58.89 59.56 2qjp h TRP 296 Cb 1.22 -0.04 0.00 0.00 -3.00 0.00 0.00 29.16 27.34 2qjp h TRP 296 CO 0.60 -0.31 0.00 2.48 -1.28 0.00 0.00 178.44 179.93 2qjp n TYR 297 N -5.27 0.00 0.21 0.12 0.18 -1.26 -1.69 117.16 109.45 2qjp n TYR 297 Ca 0.26 0.00 0.09 0.00 1.88 0.00 0.00 57.90 60.13 2qjp n TYR 297 Cb 0.86 -0.46 -0.13 0.00 -0.38 0.00 0.00 39.34 39.23 2qjp n TYR 297 CO 0.00 0.00 0.00 1.19 -2.08 0.00 0.00 176.86 175.97 2qjp n PHE 298 N -1.46 0.00 -0.11 -3.48 3.72 0.40 -4.71 117.46 111.83 2qjp n PHE 298 Ca 0.03 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.35 2qjp n PHE 298 Cb 0.10 -0.31 -0.01 0.00 -0.94 0.00 0.00 39.48 38.31 2qjp n PHE 298 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2qjp h LEU 299 N 0.00 -0.99 -0.78 4.37 3.38 -0.76 -2.19 115.31 118.34 2qjp h LEU 299 Ca 0.00 0.18 0.16 0.00 0.09 0.00 0.00 57.88 58.31 2qjp h LEU 299 Cb 0.73 0.47 -0.10 0.00 0.09 0.00 0.00 40.66 41.85 2qjp h LEU 299 CO 0.00 -0.31 0.29 1.55 0.09 0.00 0.00 178.44 180.06 2qjp h PRO 300 N -0.24 0.38 0.00 1.13 0.13 -1.76 0.11 132.00 131.75 2qjp h PRO 300 Ca 0.17 -0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 65.18 2qjp h PRO 300 Cb 0.52 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.55 2qjp h PRO 300 CO -0.51 0.25 -0.47 0.74 -0.23 0.00 0.00 178.00 177.78 2qjp h PHE 301 N 0.40 0.00 -0.12 1.56 0.04 -1.84 -2.76 116.94 114.22 2qjp h PHE 301 Ca 0.44 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 61.07 2qjp h PHE 301 Cb 0.73 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.87 2qjp h PHE 301 CO -0.18 0.47 -0.55 -0.92 -0.60 0.00 0.00 178.31 176.53 2qjp h TYR 302 N 0.00 0.43 -0.29 -0.55 3.20 -0.55 -2.49 116.97 116.72 2qjp h TYR 302 Ca -0.00 -0.15 -0.03 0.00 3.14 0.00 0.00 58.73 61.69 2qjp h TYR 302 Cb 1.12 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.29 2qjp h TYR 302 CO 0.00 0.81 0.08 0.00 -1.64 0.00 0.00 178.16 177.41 2qjp h ALA 303 N 1.16 0.37 -0.79 1.82 0.00 -0.59 -2.43 119.26 118.81 2qjp h ALA 303 Ca 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2qjp h ALA 303 Cb 1.04 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 2qjp h ALA 303 CO 0.09 0.02 0.47 0.82 0.00 0.00 0.00 179.25 180.66 2qjp h ILE 304 N 0.30 1.22 0.07 0.00 2.04 -1.37 -2.48 117.51 117.27 2qjp h ILE 304 Ca 0.09 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.47 2qjp h ILE 304 Cb 0.27 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 2qjp h ILE 304 CO -0.00 0.23 -0.03 0.25 0.00 0.00 0.00 178.15 178.60 2qjp h LEU 305 N 1.08 -0.07 -0.70 1.44 6.46 -1.21 -3.14 115.31 119.17 2qjp h LEU 305 Ca 0.28 -0.27 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 2qjp h LEU 305 Cb -0.05 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 39.90 2qjp h LEU 305 CO -0.05 0.24 0.00 -2.11 -0.62 0.00 0.00 178.44 175.89 2qjp n ARG 306 N -4.99 1.44 0.14 1.25 1.85 -0.94 -3.23 116.66 112.19 2qjp n ARG 306 Ca -0.08 -0.68 0.02 0.00 -1.00 0.00 0.00 57.85 56.10 2qjp n ARG 306 Cb 0.19 -1.15 0.07 0.00 -1.05 0.00 0.00 32.46 30.52 2qjp n ARG 306 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2qjp h ALA 307 N 3.36 0.70 -2.11 2.89 0.00 -1.39 -3.40 119.26 119.30 2qjp h ALA 307 Ca 0.00 -0.49 -0.73 0.00 0.00 0.00 0.00 54.91 53.69 2qjp h ALA 307 Cb 0.26 -0.09 -0.20 0.00 0.00 0.00 0.00 17.79 17.76 2qjp h ALA 307 CO 0.00 0.68 0.76 -0.06 0.00 0.00 0.00 179.25 180.63 2qjp s PHE 308 N -3.06 3.42 0.68 0.00 0.08 -1.20 -4.81 117.98 113.09 2qjp s PHE 308 Ca 0.03 -1.78 0.03 0.00 0.12 0.00 0.00 56.93 55.33 2qjp s PHE 308 Cb 0.09 -4.16 0.12 0.00 -0.57 0.00 0.00 43.02 38.50 2qjp s PHE 308 CO 0.74 -1.32 0.94 0.95 -0.10 0.00 0.00 175.22 176.43 2qjp s THR 309 N 1.62 2.08 0.23 0.64 -4.23 -1.26 -4.65 115.64 110.07 2qjp s THR 309 Ca 0.32 -0.74 -0.07 0.00 -1.18 0.00 0.00 61.69 60.02 2qjp s THR 309 Cb -0.06 -2.34 0.20 0.00 1.34 0.00 0.00 72.50 71.63 2qjp s THR 309 CO -0.07 0.00 1.84 0.00 -0.54 0.00 0.00 174.62 175.84 2qjp h ALA 310 N -0.33 1.14 0.00 3.99 0.00 -1.95 -2.83 119.26 119.29 2qjp h ALA 310 Ca -0.33 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2qjp h ALA 310 Cb 1.27 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2qjp h ALA 310 CO 0.39 0.66 0.00 -0.25 0.00 0.00 0.00 179.25 180.05 2qjp n ASP 311 N -4.31 0.00 -4.69 0.00 8.00 -1.26 -4.39 116.55 109.89 2qjp n ASP 311 Ca 0.09 -1.03 -0.40 0.00 0.71 0.00 0.00 54.79 54.16 2qjp n ASP 311 Cb 0.13 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.18 2qjp n ASP 311 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2qjp s VAL 312 N -2.00 5.02 0.12 2.53 1.01 -1.07 -4.98 120.40 121.02 2qjp s VAL 312 Ca 0.13 1.39 -0.34 0.00 0.00 0.00 0.00 61.98 63.17 2qjp s VAL 312 Cb 0.06 -4.02 -0.12 0.00 0.00 0.00 0.00 36.38 32.30 2qjp s VAL 312 CO 0.10 0.18 1.56 -0.50 0.00 0.00 0.00 175.10 176.44 2qjp h TRP 313 N 7.04 -1.55 -0.44 5.22 6.55 -1.90 0.98 115.95 131.85 2qjp h TRP 313 Ca -0.36 0.05 0.13 0.00 0.95 0.00 0.00 58.89 59.66 2qjp h TRP 313 Cb 1.17 0.69 -0.02 0.00 -0.86 0.00 0.00 29.16 30.14 2qjp h TRP 313 CO 0.68 -0.56 0.37 0.28 -1.05 0.00 0.00 178.44 178.16 2qjp h VAL 314 N -0.62 0.57 0.02 1.49 2.07 -1.97 0.38 116.25 118.19 2qjp h VAL 314 Ca 0.03 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 2qjp h VAL 314 Cb 0.70 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2qjp h VAL 314 CO -0.39 0.00 -0.01 0.58 0.02 0.00 0.00 177.57 177.77 2qjp h VAL 315 N 0.00 1.43 -0.70 2.57 2.07 -1.41 -2.59 116.25 117.63 2qjp h VAL 315 Ca 0.21 -1.42 0.08 0.00 0.82 0.00 0.00 66.70 66.39 2qjp h VAL 315 Cb 0.95 2.38 -0.07 0.00 -1.52 0.00 0.00 31.29 33.04 2qjp h VAL 315 CO -0.00 0.36 0.37 1.56 0.02 0.00 0.00 177.57 179.88 2qjp h GLN 316 N -0.64 0.63 0.01 1.57 4.20 0.18 0.32 115.11 121.38 2qjp h GLN 316 Ca -0.00 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.68 2qjp h GLN 316 Cb 0.61 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 2qjp h GLN 316 CO 0.00 0.41 -0.08 0.82 -0.67 0.00 0.00 178.83 179.31 2qjp h ILE 317 N 0.64 0.79 -0.60 2.54 2.04 -0.48 -1.34 117.51 121.10 2qjp h ILE 317 Ca 0.34 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.23 2qjp h ILE 317 Cb 0.30 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 2qjp h ILE 317 CO -0.24 0.00 0.36 0.00 0.00 0.00 0.00 178.15 178.27 2qjp h ALA 318 N 0.82 0.77 -0.29 1.87 0.00 -0.92 0.25 119.26 121.77 2qjp h ALA 318 Ca 0.03 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.96 2qjp h ALA 318 Cb 0.18 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2qjp h ALA 318 CO -0.07 0.09 0.06 -0.97 0.00 0.00 0.00 179.25 178.36 2qjp h ASN 319 N 0.70 0.03 -0.33 0.00 -1.24 -0.06 -1.73 115.58 112.95 2qjp h ASN 319 Ca 0.24 0.04 -0.05 0.00 0.71 0.00 0.00 56.30 57.25 2qjp h ASN 319 Cb 0.04 0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.13 2qjp h ASN 319 CO -0.11 0.05 0.02 0.15 -1.29 0.00 0.00 177.43 176.25 2qjp h PHE 320 N 0.17 0.62 0.00 0.67 3.57 -0.77 0.19 116.94 121.40 2qjp h PHE 320 Ca 0.13 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2qjp h PHE 320 Cb 0.13 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.71 2qjp h PHE 320 CO -0.16 0.68 0.00 0.82 -2.23 0.00 0.00 178.31 177.42 2qjp h ILE 321 N 0.39 0.00 -0.12 1.41 2.04 -0.21 -2.92 117.51 118.10 2qjp h ILE 321 Ca 0.10 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.72 2qjp h ILE 321 Cb 0.42 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 2qjp h ILE 321 CO 0.01 0.00 0.00 -1.54 0.00 0.00 0.00 178.15 176.62 2qjp n SER 322 N -2.55 3.01 -3.66 1.72 3.41 -0.68 -4.97 113.62 109.90 2qjp n SER 322 Ca 0.01 -3.00 -0.25 0.00 -0.26 0.00 0.00 58.87 55.36 2qjp n SER 322 Cb 0.20 -0.46 0.07 0.00 -0.26 0.00 0.00 64.21 63.75 2qjp n SER 322 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2qjp n PHE 323 N -0.96 -2.78 -0.97 7.33 3.01 -1.10 -2.49 117.46 119.50 2qjp n PHE 323 Ca 0.18 0.99 0.00 0.00 1.01 0.00 0.00 57.45 59.63 2qjp n PHE 323 Cb 0.73 -4.84 0.00 0.00 -0.01 0.00 0.00 39.48 35.37 2qjp n PHE 323 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qjp n GLY 324 N -1.95 0.74 0.20 1.37 0.00 0.65 -4.94 105.19 101.26 2qjp n GLY 324 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 2qjp n GLY 324 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2qjp h ILE 325 N 0.00 0.35 -0.84 -0.61 2.04 -1.69 -3.37 117.51 113.39 2qjp h ILE 325 Ca 0.00 -0.79 -0.61 0.00 1.00 0.00 0.00 64.86 64.46 2qjp h ILE 325 Cb 0.04 0.58 -0.08 0.00 -0.74 0.00 0.00 36.82 36.62 2qjp h ILE 325 CO 0.00 0.09 1.91 -0.63 0.00 0.00 0.00 178.15 179.52 2qjp s ILE 326 N -3.45 3.99 0.30 -0.67 1.01 -1.26 -4.89 121.20 116.22 2qjp s ILE 326 Ca -0.10 -1.58 -0.03 0.00 0.00 0.00 0.00 60.65 58.95 2qjp s ILE 326 Cb 0.01 -5.06 0.06 0.00 0.01 0.00 0.00 42.46 37.48 2qjp s ILE 326 CO 0.35 -1.84 0.41 -0.90 0.00 0.00 0.00 174.94 172.96 2qjp n ASP 327 N 9.47 0.27 0.06 3.58 5.75 -1.26 -3.42 116.55 131.00 2qjp n ASP 327 Ca 0.46 -1.29 -0.12 0.00 -0.01 0.00 0.00 54.79 53.83 2qjp n ASP 327 Cb 0.47 -0.29 -0.06 0.00 -1.03 0.00 0.00 41.12 40.21 2qjp n ASP 327 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qjp h ALA 328 N -1.18 -0.12 -0.28 2.12 0.00 -1.89 -0.15 119.26 117.76 2qjp h ALA 328 Ca -0.13 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.80 2qjp h ALA 328 Cb 0.43 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2qjp h ALA 328 CO 0.12 -0.59 -0.26 -0.22 0.00 0.00 0.00 179.25 178.29 2qjp h LYS 329 N -0.18 -0.11 0.00 0.00 3.64 -1.94 0.13 116.57 118.11 2qjp h LYS 329 Ca 0.03 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 2qjp h LYS 329 Cb 0.21 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 2qjp h LYS 329 CO -0.08 -0.08 -0.17 0.35 -2.27 0.00 0.00 179.45 177.21 2qjp h PHE 330 N -0.12 0.00 -0.29 1.91 3.57 -1.81 -2.62 116.94 117.59 2qjp h PHE 330 Ca 0.05 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.45 2qjp h PHE 330 Cb 0.24 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 2qjp h PHE 330 CO -0.77 0.17 -0.18 0.35 -2.23 0.00 0.00 178.31 175.65 2qjp h PHE 331 N 0.00 0.74 -0.63 0.41 3.04 0.18 -1.21 116.94 119.48 2qjp h PHE 331 Ca -0.00 -0.20 0.02 0.00 3.98 0.00 0.00 57.97 61.77 2qjp h PHE 331 Cb 0.35 -0.17 -0.04 0.00 2.56 0.00 0.00 35.95 38.66 2qjp h PHE 331 CO 0.00 0.89 0.40 0.78 -2.02 0.00 0.00 178.31 178.36 2qjp h GLY 332 N 0.38 0.89 0.93 2.40 0.00 -0.44 0.16 103.07 107.39 2qjp h GLY 332 Ca 0.06 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2qjp h GLY 332 CO 0.05 0.27 -0.04 -2.08 0.00 0.00 0.00 176.54 174.75 2qjp h VAL 333 N 0.79 0.91 -0.12 4.60 2.07 -1.36 -0.51 116.25 122.64 2qjp h VAL 333 Ca 0.24 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.74 2qjp h VAL 333 Cb -0.02 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 2qjp h VAL 333 CO -0.08 0.00 -0.04 -0.07 0.02 0.00 0.00 177.57 177.39 2qjp h LEU 334 N -0.07 0.15 -0.07 2.57 3.38 -0.82 -1.96 115.31 118.49 2qjp h LEU 334 Ca 0.01 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2qjp h LEU 334 Cb 0.08 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2qjp h LEU 334 CO -0.02 0.23 -0.02 0.00 0.09 0.00 0.00 178.44 178.72 2qjp h ALA 335 N 1.79 0.10 0.46 1.53 0.00 -0.03 0.71 119.26 123.83 2qjp h ALA 335 Ca 0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2qjp h ALA 335 Cb 0.20 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2qjp h ALA 335 CO 0.01 -0.17 -0.30 1.98 0.00 0.00 0.00 179.25 180.76 2qjp h MET 336 N -0.20 -0.70 0.00 0.00 1.85 -0.66 0.22 114.93 115.43 2qjp h MET 336 Ca 0.02 0.05 -0.06 0.00 -0.61 0.00 0.00 59.70 59.09 2qjp h MET 336 Cb 0.42 0.16 -0.01 0.00 0.43 0.00 0.00 31.60 32.61 2qjp h MET 336 CO 0.01 -0.47 -0.30 0.74 -0.40 0.00 0.00 176.91 176.48 2qjp h PHE 337 N -0.73 0.00 -0.44 1.39 0.04 -1.46 -2.57 116.94 113.17 2qjp h PHE 337 Ca -0.05 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.60 2qjp h PHE 337 Cb 0.61 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.74 2qjp h PHE 337 CO -0.11 0.30 -0.21 0.78 -0.60 0.00 0.00 178.31 178.48 2qjp h GLY 338 N 1.27 0.96 0.86 -1.45 0.00 -0.38 0.14 103.07 104.46 2qjp h GLY 338 Ca -0.00 -0.82 0.04 0.00 0.00 0.00 0.00 47.33 46.54 2qjp h GLY 338 CO 0.04 0.75 0.58 0.00 0.00 0.00 0.00 176.54 177.91 2qjp h ALA 339 N 0.99 1.19 -0.01 3.60 0.00 -0.17 0.41 119.26 125.28 2qjp h ALA 339 Ca 0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2qjp h ALA 339 Cb 0.75 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2qjp h ALA 339 CO 0.06 0.42 -0.02 0.82 0.00 0.00 0.00 179.25 180.53 2qjp h ILE 340 N 1.11 1.46 -0.70 0.00 2.04 -1.37 -2.96 117.51 117.10 2qjp h ILE 340 Ca 0.36 -1.40 0.06 0.00 1.00 0.00 0.00 64.86 64.88 2qjp h ILE 340 Cb 0.03 2.38 -0.06 0.00 -0.74 0.00 0.00 36.82 38.44 2qjp h ILE 340 CO -0.13 0.37 0.40 0.25 0.00 0.00 0.00 178.15 179.04 2qjp h LEU 341 N -0.54 0.60 -0.57 1.44 5.85 -0.38 -1.56 115.31 120.15 2qjp h LEU 341 Ca -0.00 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.80 2qjp h LEU 341 Cb 0.61 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 2qjp h LEU 341 CO 0.00 0.39 0.28 0.58 -0.34 0.00 0.00 178.44 179.36 2qjp h VAL 342 N 0.74 0.92 -0.86 1.05 2.07 -0.23 -0.98 116.25 118.96 2qjp h VAL 342 Ca 0.31 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 67.69 2qjp h VAL 342 Cb 0.18 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 2qjp h VAL 342 CO -0.18 0.10 0.56 -0.03 0.02 0.00 0.00 177.57 178.04 2qjp h MET 343 N 0.53 1.02 0.00 1.57 1.85 -1.14 -0.57 114.93 118.19 2qjp h MET 343 Ca 0.26 -0.06 -0.04 0.00 -0.61 0.00 0.00 59.70 59.25 2qjp h MET 343 Cb 0.19 -0.23 -0.01 0.00 0.43 0.00 0.00 31.60 31.99 2qjp h MET 343 CO -0.19 0.67 -0.17 0.00 -0.40 0.00 0.00 176.91 176.82 2qjp h ALA 344 N 1.51 1.17 -0.00 0.39 0.00 -0.44 -2.83 119.26 119.06 2qjp h ALA 344 Ca 0.35 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2qjp h ALA 344 Cb 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2qjp h ALA 344 CO -0.11 0.21 -0.34 1.28 0.00 0.00 0.00 179.25 180.30 2qjp n LEU 345 N -3.55 0.45 -0.44 0.00 4.77 -0.24 -4.40 117.00 113.60 2qjp n LEU 345 Ca -0.01 0.07 0.37 0.00 -0.03 0.00 0.00 56.01 56.41 2qjp n LEU 345 Cb 0.32 -0.28 0.68 0.00 -2.33 0.00 0.00 43.42 41.81 2qjp n LEU 345 CO 0.31 0.10 1.31 1.62 -1.33 0.00 0.00 177.39 179.40 2qjp h VAL 346 N 0.18 0.25 -0.24 4.08 3.04 -1.26 0.46 116.25 122.76 2qjp h VAL 346 Ca 0.00 -0.04 0.07 0.00 -1.01 0.00 0.00 66.70 65.72 2qjp h VAL 346 Cb 0.49 0.14 -0.01 0.00 -2.01 0.00 0.00 31.29 29.90 2qjp h VAL 346 CO 0.00 0.02 0.20 -0.65 -1.01 0.00 0.00 177.57 176.13 2qjp h PRO 347 N 0.10 0.00 0.00 4.17 0.11 -1.83 -0.45 132.00 134.11 2qjp h PRO 347 Ca 0.73 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 66.55 2qjp h PRO 347 Cb 2.52 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 33.58 2qjp h PRO 347 CO -0.21 0.00 -2.23 0.91 -0.21 0.00 0.00 178.00 176.26 2qjp n TRP 348 N -4.14 0.12 0.15 0.65 8.01 0.15 -4.28 117.44 118.12 2qjp n TRP 348 Ca 0.03 0.04 0.03 0.00 -1.31 0.00 0.00 57.50 56.29 2qjp n TRP 348 Cb 0.35 -0.94 0.13 0.00 -2.01 0.00 0.00 31.31 28.84 2qjp n TRP 348 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.69 176.61 2qjp h LEU 349 N 0.00 0.00 -8.69 -0.99 3.38 -1.00 -3.42 115.31 104.60 2qjp h LEU 349 Ca -0.43 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 56.96 2qjp h LEU 349 Cb 2.01 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.66 2qjp h LEU 349 CO 0.03 0.48 0.72 -0.62 0.09 0.00 0.00 178.44 179.14 2qjp s ASP 350 N -6.45 6.55 0.00 -0.43 -1.08 -0.21 -2.45 116.67 112.59 2qjp s ASP 350 Ca 0.02 0.26 0.24 0.00 -0.52 0.00 0.00 52.55 52.56 2qjp s ASP 350 Cb 0.09 -2.49 0.29 0.00 -1.46 0.00 0.00 42.92 39.35 2qjp s ASP 350 CO 0.73 -1.13 1.27 0.35 0.52 0.00 0.00 175.17 176.91 2qjp n THR 351 N 6.58 0.00 -2.24 1.71 -2.24 -1.25 -4.94 114.28 111.91 2qjp n THR 351 Ca 0.08 -0.18 -0.40 0.00 -2.27 0.00 0.00 64.05 61.28 2qjp n THR 351 Cb 0.49 0.87 -0.03 0.00 -2.10 0.00 0.00 70.33 69.56 2qjp n THR 351 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2qjp s SER 352 N -2.55 6.87 0.00 3.42 0.15 -1.26 -4.77 113.70 115.55 2qjp s SER 352 Ca 0.20 2.53 0.26 0.00 0.70 0.00 0.00 55.95 59.63 2qjp s SER 352 Cb 0.18 -2.64 0.65 0.00 -1.71 0.00 0.00 66.02 62.51 2qjp s SER 352 CO 0.58 -0.45 1.51 -0.81 1.20 0.00 0.00 173.24 175.27 2qjp n PRO 353 N 0.79 0.06 -2.63 5.44 -0.04 -1.26 -4.83 135.00 132.54 2qjp n PRO 353 Ca 0.00 -0.03 -0.42 0.00 -0.04 0.00 0.00 63.50 63.01 2qjp n PRO 353 Cb 0.43 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.37 2qjp n PRO 353 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2qjp s VAL 354 N -2.96 4.65 -0.01 0.52 1.01 -1.26 -5.00 120.40 117.36 2qjp s VAL 354 Ca 0.13 1.93 -0.04 0.00 0.00 0.00 0.00 61.98 64.00 2qjp s VAL 354 Cb 0.18 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 2qjp s VAL 354 CO 0.66 -0.00 0.50 -0.09 0.00 0.00 0.00 175.10 176.17 2qjp h ARG 355 N 7.19 -0.15 -6.44 2.72 2.43 -1.88 -3.45 114.38 114.80 2qjp h ARG 355 Ca -0.31 0.01 -0.54 0.00 -0.81 0.00 0.00 59.98 58.33 2qjp h ARG 355 Cb 1.15 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.73 2qjp h ARG 355 CO 0.86 -0.10 0.62 0.45 -1.51 0.00 0.00 179.97 180.29 2qjp s SER 356 N -3.17 7.05 0.00 -3.80 0.15 -1.24 -3.52 113.70 109.16 2qjp s SER 356 Ca -0.02 1.99 0.13 0.00 0.70 0.00 0.00 55.95 58.74 2qjp s SER 356 Cb 0.00 -2.57 0.66 0.00 -1.71 0.00 0.00 66.02 62.40 2qjp s SER 356 CO 0.07 -0.52 1.31 0.61 1.20 0.00 0.00 173.24 175.91 2qjp n GLY 357 N 3.29 -0.66 0.27 9.45 0.00 -0.07 -2.11 105.19 115.36 2qjp n GLY 357 Ca 0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 2qjp n GLY 357 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2qjp h ARG 358 N 0.00 0.55 -0.74 1.61 2.43 -1.87 -2.62 114.38 113.75 2qjp h ARG 358 Ca 0.00 -0.12 -0.27 0.00 -0.81 0.00 0.00 59.98 58.78 2qjp h ARG 358 Cb 0.10 -0.08 -0.16 0.00 -0.42 0.00 0.00 29.97 29.41 2qjp h ARG 358 CO 0.00 0.58 0.31 0.66 -1.51 0.00 0.00 179.97 180.02 2qjp n TYR 359 N -4.27 2.40 -3.87 2.20 4.01 -0.90 -4.79 117.16 111.94 2qjp n TYR 359 Ca 0.02 -1.37 -0.30 0.00 -0.16 0.00 0.00 57.90 56.08 2qjp n TYR 359 Cb 0.25 -0.71 -0.15 0.00 -0.31 0.00 0.00 39.34 38.42 2qjp n TYR 359 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2qjp s ARG 360 N -3.08 1.18 0.11 -0.72 0.52 -0.99 -1.81 118.95 114.16 2qjp s ARG 360 Ca 0.54 -1.61 -0.26 0.00 -0.52 0.00 0.00 55.73 53.87 2qjp s ARG 360 Cb 0.44 -2.65 -0.10 0.00 0.52 0.00 0.00 34.95 33.17 2qjp s ARG 360 CO 0.11 -0.99 1.66 -1.35 0.02 0.00 0.00 175.30 174.75 2qjp h PRO 361 N 7.66 -0.40 -0.24 3.54 0.11 -1.83 -2.49 132.00 138.34 2qjp h PRO 361 Ca -0.08 0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.98 2qjp h PRO 361 Cb 1.00 0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2qjp h PRO 361 CO 0.51 -0.27 -0.16 0.52 -0.21 0.00 0.00 178.00 178.39 2qjp h MET 362 N -0.42 0.53 -0.72 1.05 2.86 -1.96 -3.26 114.93 113.02 2qjp h MET 362 Ca 0.02 -0.25 0.11 0.00 -2.06 0.00 0.00 59.70 57.52 2qjp h MET 362 Cb 0.43 -0.00 -0.12 0.00 0.06 0.00 0.00 31.60 31.96 2qjp h MET 362 CO -0.10 0.82 -0.39 0.35 1.06 0.00 0.00 176.91 178.64 2qjp h PHE 363 N 0.24 -1.12 -0.70 -0.22 3.57 -1.91 -2.18 116.94 114.61 2qjp h PHE 363 Ca 0.05 0.09 0.13 0.00 3.53 0.00 0.00 57.97 61.76 2qjp h PHE 363 Cb 0.69 0.59 -0.13 0.00 2.79 0.00 0.00 35.95 39.89 2qjp h PHE 363 CO 0.07 -0.40 -0.28 0.87 -2.23 0.00 0.00 178.31 176.34 2qjp h LYS 364 N -0.13 -0.08 -0.38 1.11 1.57 -1.49 0.13 116.57 117.31 2qjp h LYS 364 Ca 0.25 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.11 2qjp h LYS 364 Cb 0.56 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.82 2qjp h LYS 364 CO -0.78 -0.05 -0.10 0.82 -0.57 0.00 0.00 179.45 178.76 2qjp h ILE 365 N -0.08 0.60 -0.52 1.86 1.08 -1.52 0.13 117.51 119.05 2qjp h ILE 365 Ca 0.30 0.00 -0.08 0.00 -0.39 0.00 0.00 64.86 64.69 2qjp h ILE 365 Cb 0.56 0.60 -0.02 0.00 -3.07 0.00 0.00 36.82 34.89 2qjp h ILE 365 CO -0.75 0.00 -0.00 1.88 -0.69 0.00 0.00 178.15 178.58 2qjp h TYR 366 N -0.01 0.96 0.27 1.37 0.05 -1.20 -1.49 116.97 116.92 2qjp h TYR 366 Ca 0.18 -0.15 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 2qjp h TYR 366 Cb 0.29 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 37.78 2qjp h TYR 366 CO -0.35 0.87 -0.13 0.35 -1.05 0.00 0.00 178.16 177.85 2qjp h PHE 367 N 0.82 -0.34 -0.00 4.88 3.57 0.41 0.11 116.94 126.39 2qjp h PHE 367 Ca 0.15 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 2qjp h PHE 367 Cb 0.49 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.34 2qjp h PHE 367 CO 0.03 -0.20 -0.14 -1.49 -2.23 0.00 0.00 178.31 174.29 2qjp h TRP 368 N -0.39 0.00 -0.43 0.41 4.06 -0.70 0.11 115.95 119.02 2qjp h TRP 368 Ca -0.04 -0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.80 2qjp h TRP 368 Cb 0.30 -0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.44 2qjp h TRP 368 CO -0.05 0.14 -0.19 -0.07 -3.56 0.00 0.00 178.44 174.71 2qjp h LEU 369 N 0.00 0.84 0.09 -4.49 3.38 -0.80 0.16 115.31 114.50 2qjp h LEU 369 Ca -0.00 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 2qjp h LEU 369 Cb 0.24 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2qjp h LEU 369 CO 0.02 1.02 -0.04 0.25 0.09 0.00 0.00 178.44 179.77 2qjp h LEU 370 N 0.74 -0.10 -0.42 1.67 5.85 0.16 0.36 115.31 123.56 2qjp h LEU 370 Ca 0.11 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.84 2qjp h LEU 370 Cb 0.71 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 2qjp h LEU 370 CO 0.05 -0.04 0.20 0.00 -0.34 0.00 0.00 178.44 178.31 2qjp h ALA 371 N 0.76 0.52 -0.85 1.25 0.00 -0.84 0.15 119.26 120.26 2qjp h ALA 371 Ca -0.01 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2qjp h ALA 371 Cb 0.12 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2qjp h ALA 371 CO 0.02 -0.17 0.44 0.00 0.00 0.00 0.00 179.25 179.54 2qjp h ALA 372 N 1.24 1.18 -0.69 0.00 0.00 -0.71 -1.77 119.26 118.51 2qjp h ALA 372 Ca 0.19 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2qjp h ALA 372 Cb 0.12 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 2qjp h ALA 372 CO -0.15 0.64 0.37 0.22 0.00 0.00 0.00 179.25 180.34 2qjp h ASP 373 N 1.19 0.86 -0.46 0.00 3.58 0.82 0.29 116.42 122.71 2qjp h ASP 373 Ca 0.30 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.65 2qjp h ASP 373 Cb 0.06 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.87 2qjp h ASP 373 CO -0.04 0.72 0.29 0.15 -2.88 0.00 0.00 179.24 177.47 2qjp h PHE 374 N 0.95 0.59 0.09 0.28 3.57 -0.09 0.38 116.94 122.71 2qjp h PHE 374 Ca 0.24 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 2qjp h PHE 374 Cb 0.05 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.59 2qjp h PHE 374 CO -0.00 0.39 -0.04 0.28 -2.23 0.00 0.00 178.31 176.71 2qjp h VAL 375 N 0.61 0.99 -0.58 1.41 2.07 -0.83 -1.45 116.25 118.47 2qjp h VAL 375 Ca 0.17 -0.27 0.08 0.00 0.82 0.00 0.00 66.70 67.49 2qjp h VAL 375 Cb -0.04 1.16 -0.06 0.00 -1.52 0.00 0.00 31.29 30.83 2qjp h VAL 375 CO -0.03 0.07 0.23 0.40 0.02 0.00 0.00 177.57 178.26 2qjp h ILE 376 N -0.24 0.82 -0.90 4.57 2.04 -0.06 0.39 117.51 124.13 2qjp h ILE 376 Ca -0.01 -0.15 0.01 0.00 1.00 0.00 0.00 64.86 65.71 2qjp h ILE 376 Cb 0.20 0.35 -0.05 0.00 -0.74 0.00 0.00 36.82 36.59 2qjp h ILE 376 CO 0.02 0.08 0.60 -0.07 0.00 0.00 0.00 178.15 178.78 2qjp h LEU 377 N 0.43 1.03 -0.68 1.44 3.38 -0.04 0.17 115.31 121.04 2qjp h LEU 377 Ca 0.28 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 2qjp h LEU 377 Cb 0.31 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2qjp h LEU 377 CO -0.27 0.74 0.28 0.74 0.09 0.00 0.00 178.44 180.03 2qjp h THR 378 N 1.22 1.24 -0.47 0.22 2.02 -0.22 -1.57 112.91 115.35 2qjp h THR 378 Ca 0.33 -0.74 -0.09 0.00 0.77 0.00 0.00 66.41 66.68 2qjp h THR 378 Cb -0.13 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 66.71 2qjp h THR 378 CO -0.08 0.30 -0.06 -0.25 0.37 0.00 0.00 175.52 175.80 2qjp h TRP 379 N 0.97 0.96 -0.12 3.16 7.01 0.07 -2.98 115.95 125.02 2qjp h TRP 379 Ca 0.23 -0.19 -0.10 0.00 2.11 0.00 0.00 58.89 60.94 2qjp h TRP 379 Cb 0.19 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.00 2qjp h TRP 379 CO 0.01 0.93 -0.35 0.28 -2.79 0.00 0.00 178.44 176.53 2qjp h VAL 380 N 0.71 1.28 -0.93 2.65 2.07 -0.51 -2.81 116.25 118.71 2qjp h VAL 380 Ca 0.12 -1.37 0.26 0.00 0.82 0.00 0.00 66.70 66.54 2qjp h VAL 380 Cb 0.59 1.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 2qjp h VAL 380 CO 0.04 0.41 0.66 1.23 0.02 0.00 0.00 177.57 179.93 2qjp h GLY 381 N 1.12 0.15 0.48 2.17 0.00 -1.12 0.37 103.07 106.25 2qjp h GLY 381 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2qjp h GLY 381 CO 0.05 -0.01 -0.48 0.00 0.00 0.00 0.00 176.54 176.11 2qjp n ALA 382 N -2.69 3.54 -2.10 3.60 0.00 -1.06 -4.90 120.51 116.90 2qjp n ALA 382 Ca 0.20 -0.42 -0.26 0.00 0.00 0.00 0.00 53.44 52.96 2qjp n ALA 382 Cb 0.96 -1.06 0.03 0.00 0.00 0.00 0.00 19.45 19.38 2qjp n ALA 382 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2qjp s GLN 383 N -2.80 2.91 1.11 0.00 -1.52 0.13 -5.08 119.66 114.42 2qjp s GLN 383 Ca 0.16 -0.08 -0.17 0.00 -1.95 0.00 0.00 55.36 53.32 2qjp s GLN 383 Cb 0.18 -2.30 0.25 0.00 -0.22 0.00 0.00 33.01 30.91 2qjp s GLN 383 CO 0.65 -0.66 1.14 -0.65 -0.25 0.00 0.00 175.29 175.52 2qjp s GLN 384 N -4.94 -0.49 0.00 2.91 -0.21 -1.26 -4.96 119.66 110.70 2qjp s GLN 384 Ca 0.53 0.01 0.27 0.00 0.02 0.00 0.00 55.36 56.19 2qjp s GLN 384 Cb -0.10 -1.68 0.82 0.00 1.00 0.00 0.00 33.01 33.05 2qjp s GLN 384 CO 0.44 -3.24 1.61 0.25 -2.12 0.00 0.00 175.29 172.23 2qjp n THR 385 N -4.44 0.00 -1.20 -0.19 -2.24 -1.26 -4.66 114.28 100.29 2qjp n THR 385 Ca 0.11 -0.20 -0.29 0.00 -2.27 0.00 0.00 64.05 61.40 2qjp n THR 385 Cb 0.59 0.53 0.19 0.00 -2.10 0.00 0.00 70.33 69.54 2qjp n THR 385 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2qjp s THR 386 N -2.27 1.88 0.35 4.28 -4.23 -1.26 -4.09 115.64 110.29 2qjp s THR 386 Ca 0.30 0.00 -0.27 0.00 -1.18 0.00 0.00 61.69 60.53 2qjp s THR 386 Cb 0.20 -2.54 -0.09 0.00 1.34 0.00 0.00 72.50 71.41 2qjp s THR 386 CO 0.44 0.00 1.22 0.12 -0.54 0.00 0.00 174.62 175.86 2qjp s PHE 387 N -3.05 3.13 -1.53 3.99 2.19 -1.26 -1.64 117.98 119.82 2qjp s PHE 387 Ca 0.67 1.51 0.17 0.00 0.33 0.00 0.00 56.93 59.62 2qjp s PHE 387 Cb -0.15 -3.52 0.60 0.00 -1.31 0.00 0.00 43.02 38.64 2qjp s PHE 387 CO 0.56 -1.47 1.49 -0.35 1.83 0.00 0.00 175.22 177.29 2qjp n PRO 388 N 0.58 3.01 0.03 10.12 -0.04 -1.26 -4.93 135.00 142.51 2qjp n PRO 388 Ca 0.01 -2.40 -0.01 0.00 -0.04 0.00 0.00 63.50 61.07 2qjp n PRO 388 Cb 0.44 -1.68 0.28 0.00 -0.04 0.00 0.00 33.50 32.49 2qjp n PRO 388 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2qjp h TYR 389 N 3.62 0.48 -0.67 0.54 0.05 -1.59 -0.75 116.97 118.65 2qjp h TYR 389 Ca 0.00 -0.07 -0.02 0.00 0.05 0.00 0.00 58.73 58.69 2qjp h TYR 389 Cb 1.11 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 38.69 2qjp h TYR 389 CO 0.57 0.56 0.33 0.38 -1.05 0.00 0.00 178.16 178.96 2qjp h ASP 390 N 0.42 0.85 -0.06 3.88 3.04 -1.68 0.27 116.42 123.14 2qjp h ASP 390 Ca 0.08 -0.08 -0.17 0.00 -3.24 0.00 0.00 57.03 53.62 2qjp h ASP 390 Cb 0.46 -0.22 0.01 0.00 -1.04 0.00 0.00 39.33 38.55 2qjp h ASP 390 CO 0.03 0.71 -0.62 -0.50 -2.04 0.00 0.00 179.24 176.81 2qjp h TRP 391 N 0.94 0.74 -0.24 4.15 4.06 -1.77 -2.44 115.95 121.38 2qjp h TRP 391 Ca 0.23 -0.36 -0.00 0.00 2.06 0.00 0.00 58.89 60.82 2qjp h TRP 391 Cb 0.08 -0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 28.12 2qjp h TRP 391 CO 0.01 1.16 0.15 0.82 -3.56 0.00 0.00 178.44 177.02 2qjp h ILE 392 N 0.11 1.09 -0.91 1.49 2.04 -0.78 0.16 117.51 120.72 2qjp h ILE 392 Ca -0.06 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.59 2qjp h ILE 392 Cb 1.29 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 38.12 2qjp h ILE 392 CO 0.13 0.09 0.59 0.77 0.00 0.00 0.00 178.15 179.73 2qjp h SER 393 N 0.30 1.05 -0.03 1.72 4.64 -0.54 -0.85 113.55 119.84 2qjp h SER 393 Ca 0.09 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 2qjp h SER 393 Cb 0.01 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 61.84 2qjp h SER 393 CO -0.02 0.77 -0.00 -0.07 -0.87 0.00 0.00 176.83 176.64 2qjp h LEU 394 N 1.23 0.06 -0.63 5.97 3.38 -0.89 0.07 115.31 124.51 2qjp h LEU 394 Ca 0.33 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2qjp h LEU 394 Cb -0.13 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2qjp h LEU 394 CO -0.07 0.36 0.39 0.40 0.09 0.00 0.00 178.44 179.60 2qjp h ILE 395 N -0.24 1.18 -0.12 1.22 2.04 -0.56 -0.72 117.51 120.30 2qjp h ILE 395 Ca 0.01 -0.38 0.02 0.00 1.00 0.00 0.00 64.86 65.51 2qjp h ILE 395 Cb 0.33 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 2qjp h ILE 395 CO 0.00 0.18 -0.03 0.00 0.00 0.00 0.00 178.15 178.30 2qjp h ALA 396 N 1.20 0.08 -0.61 1.87 0.00 -1.04 0.16 119.26 120.91 2qjp h ALA 396 Ca 0.23 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.20 2qjp h ALA 396 Cb -0.04 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2qjp h ALA 396 CO -0.04 -0.49 0.39 0.77 0.00 0.00 0.00 179.25 179.88 2qjp h SER 397 N -0.00 0.67 -0.27 0.00 0.02 -0.70 -1.26 113.55 112.01 2qjp h SER 397 Ca 0.06 -0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.03 2qjp h SER 397 Cb 0.09 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 2qjp h SER 397 CO -0.13 0.48 0.08 0.00 -1.14 0.00 0.00 176.83 176.12 2qjp h ALA 398 N 1.24 0.29 -0.59 3.77 0.00 -0.60 -1.53 119.26 121.85 2qjp h ALA 398 Ca 0.23 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 2qjp h ALA 398 Cb -0.05 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2qjp h ALA 398 CO -0.07 -0.33 0.35 -0.92 0.00 0.00 0.00 179.25 178.28 2qjp h TYR 399 N 0.20 0.77 0.25 0.00 3.20 -0.11 -0.78 116.97 120.48 2qjp h TYR 399 Ca 0.12 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 2qjp h TYR 399 Cb 0.10 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 2qjp h TYR 399 CO -0.14 0.52 -0.20 2.35 -1.64 0.00 0.00 178.16 179.05 2qjp h TRP 400 N 0.81 -0.52 -0.04 -3.82 2.91 -0.21 -0.82 115.95 114.26 2qjp h TRP 400 Ca 0.21 -0.00 -0.11 0.00 1.13 0.00 0.00 58.89 60.13 2qjp h TRP 400 Cb -0.02 0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 28.81 2qjp h TRP 400 CO 0.00 -0.30 -0.47 0.74 -1.03 0.00 0.00 178.44 177.39 2qjp h PHE 401 N -0.46 0.11 -0.67 2.65 0.04 -1.32 -2.80 116.94 114.49 2qjp h PHE 401 Ca -0.01 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 2qjp h PHE 401 Cb 0.41 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.50 2qjp h PHE 401 CO -0.13 0.54 0.37 0.00 -0.60 0.00 0.00 178.31 178.50 2qjp h ALA 402 N 1.45 1.38 -0.02 2.45 0.00 -0.77 0.13 119.26 123.88 2qjp h ALA 402 Ca 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2qjp h ALA 402 Cb 0.85 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2qjp h ALA 402 CO 0.06 0.51 0.00 -0.92 0.00 0.00 0.00 179.25 178.91 2qjp h TYR 403 N 0.94 0.03 0.18 0.00 3.20 -0.88 0.29 116.97 120.73 2qjp h TYR 403 Ca 0.24 -0.00 -0.25 0.00 3.14 0.00 0.00 58.73 61.85 2qjp h TYR 403 Cb 0.02 -0.01 0.03 0.00 1.54 0.00 0.00 36.73 38.31 2qjp h TYR 403 CO 0.01 0.25 -1.12 0.74 -1.64 0.00 0.00 178.16 176.39 2qjp h PHE 404 N -0.20 0.71 0.13 -3.82 0.04 -1.50 -1.55 116.94 110.74 2qjp h PHE 404 Ca 0.00 -0.52 -0.24 0.00 2.80 0.00 0.00 57.97 60.02 2qjp h PHE 404 Cb 0.24 -0.03 0.03 0.00 2.20 0.00 0.00 35.95 38.38 2qjp h PHE 404 CO 0.00 1.43 -1.02 -0.07 -0.60 0.00 0.00 178.31 178.06 2qjp h LEU 405 N -0.17 0.67 0.00 1.54 3.38 -0.86 -3.39 115.31 116.49 2qjp h LEU 405 Ca -0.20 -0.88 0.00 0.00 0.09 0.00 0.00 57.88 56.89 2qjp h LEU 405 Cb 1.86 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.39 2qjp h LEU 405 CO 0.19 1.48 -0.57 0.52 0.09 0.00 0.00 178.44 180.16 2qjp n VAL 406 N -3.98 1.09 -0.03 1.22 0.31 -0.37 -4.50 118.33 112.07 2qjp n VAL 406 Ca -0.14 0.25 -0.08 0.00 -0.01 0.00 0.00 64.34 64.36 2qjp n VAL 406 Cb 0.89 -1.97 -0.02 0.00 -0.91 0.00 0.00 33.84 31.83 2qjp n VAL 406 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2qjp h ILE 407 N -0.57 0.52 -0.46 2.52 2.04 -0.59 -1.66 117.51 119.32 2qjp h ILE 407 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 2qjp h ILE 407 Cb 0.57 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 2qjp h ILE 407 CO 0.00 0.00 0.12 -0.07 0.00 0.00 0.00 178.15 178.20 2qjp h LEU 408 N -0.19 0.69 -0.67 1.44 3.38 -1.50 0.26 115.31 118.71 2qjp h LEU 408 Ca 0.12 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2qjp h LEU 408 Cb 0.37 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2qjp h LEU 408 CO -0.31 0.74 0.33 -0.65 0.09 0.00 0.00 178.44 178.64 2qjp h PRO 409 N 0.61 0.96 -0.18 1.13 0.11 -1.36 -3.00 132.00 130.27 2qjp h PRO 409 Ca 0.14 -0.13 -0.13 0.00 0.11 0.00 0.00 66.00 65.99 2qjp h PRO 409 Cb 0.32 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.25 2qjp h PRO 409 CO 0.00 0.75 -0.39 0.82 -0.21 0.00 0.00 178.00 178.97 2qjp h ILE 410 N 0.93 1.34 -0.29 4.15 2.04 -1.10 -2.99 117.51 121.58 2qjp h ILE 410 Ca 0.23 -1.64 0.09 0.00 1.00 0.00 0.00 64.86 64.54 2qjp h ILE 410 Cb 0.10 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 2qjp h ILE 410 CO -0.03 0.50 0.35 -0.07 0.00 0.00 0.00 178.15 178.90 2qjp h LEU 411 N 0.23 0.00 -1.54 1.44 3.38 -0.46 0.44 115.31 118.81 2qjp h LEU 411 Ca 0.00 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.12 2qjp h LEU 411 Cb 0.99 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.69 2qjp h LEU 411 CO 0.09 0.00 0.51 1.23 0.09 0.00 0.00 178.44 180.36 2qjp h GLY 412 N 0.00 0.77 0.00 0.83 0.00 -1.38 -2.35 103.07 100.95 2qjp h GLY 412 Ca 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2qjp h GLY 412 CO -0.00 0.07 -0.83 0.00 0.00 0.00 0.00 176.54 175.77 2qjp n ALA 413 N -2.51 0.73 -0.12 3.60 0.00 0.10 -4.52 120.51 117.80 2qjp n ALA 413 Ca 0.15 -0.70 -0.12 0.00 0.00 0.00 0.00 53.44 52.77 2qjp n ALA 413 Cb 0.52 0.02 -0.09 0.00 0.00 0.00 0.00 19.45 19.90 2qjp n ALA 413 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2qjp h ILE 414 N -0.94 0.00 -1.44 0.00 2.04 -1.50 -3.44 117.51 112.24 2qjp h ILE 414 Ca 0.00 0.00 -0.68 0.00 1.00 0.00 0.00 64.86 65.18 2qjp h ILE 414 Cb 0.83 0.00 0.09 0.00 -0.74 0.00 0.00 36.82 37.00 2qjp h ILE 414 CO 0.00 0.00 -0.09 1.21 0.00 0.00 0.00 178.15 179.27 2qjp n GLU 415 N -5.08 0.49 -3.91 2.37 2.13 -0.89 -5.00 120.64 110.76 2qjp n GLU 415 Ca -0.03 0.18 -0.35 0.00 0.66 0.00 0.00 57.16 57.61 2qjp n GLU 415 Cb 0.30 -1.47 -0.14 0.00 0.27 0.00 0.00 31.44 30.41 2qjp n GLU 415 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2qjp s LYS 416 N -0.67 2.69 0.25 5.31 2.47 -1.26 -4.98 119.74 123.55 2qjp s LYS 416 Ca 0.72 -1.09 -0.11 0.00 -1.56 0.00 0.00 55.97 53.94 2qjp s LYS 416 Cb -0.95 -3.13 -0.08 0.00 -1.46 0.00 0.00 37.83 32.21 2qjp s LYS 416 CO 0.56 -0.50 0.58 -1.25 0.16 0.00 0.00 175.35 174.89 2qjp s PRO 417 N 1.32 3.84 0.71 4.03 0.04 -1.26 -4.64 135.00 139.04 2qjp s PRO 417 Ca -0.02 0.35 -0.11 0.00 0.04 0.00 0.00 61.00 61.26 2qjp s PRO 417 Cb -0.18 -2.61 0.02 0.00 0.04 0.00 0.00 34.50 31.77 2qjp s PRO 417 CO -0.02 0.29 1.09 0.08 0.04 0.00 0.00 177.00 178.48 2qjp s VAL 418 N -1.84 3.61 0.03 -0.36 1.01 -0.75 -5.03 120.40 117.07 2qjp s VAL 418 Ca 0.48 0.52 -0.24 0.00 0.00 0.00 0.00 61.98 62.75 2qjp s VAL 418 Cb -0.11 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 2qjp s VAL 418 CO 0.20 -0.68 0.73 0.00 0.00 0.00 0.00 175.10 175.35 2qjp s ALA 419 N -3.27 3.40 0.44 5.51 0.00 -1.26 -4.89 121.76 121.68 2qjp s ALA 419 Ca 0.58 0.22 -0.03 0.00 0.00 0.00 0.00 51.96 52.73 2qjp s ALA 419 Cb -0.12 -2.94 -0.03 0.00 0.00 0.00 0.00 23.12 20.03 2qjp s ALA 419 CO 0.53 0.09 0.70 -1.25 0.00 0.00 0.00 175.76 175.83 2qjp s PRO 420 N -0.10 3.52 0.66 0.00 0.04 -1.26 -5.02 135.00 132.83 2qjp s PRO 420 Ca 0.37 0.01 -0.17 0.00 0.04 0.00 0.00 61.00 61.25 2qjp s PRO 420 Cb -0.20 -2.47 -0.05 0.00 0.04 0.00 0.00 34.50 31.82 2qjp s PRO 420 CO 0.22 -0.09 0.65 -2.30 0.04 0.00 0.00 177.00 175.52 2qjp n PRO 421 N -2.10 0.49 0.03 0.56 -0.02 -1.26 -4.89 135.00 127.82 2qjp n PRO 421 Ca -0.01 0.20 -0.07 0.00 -2.02 0.00 0.00 63.50 61.60 2qjp n PRO 421 Cb 0.55 -1.89 0.09 0.00 -0.02 0.00 0.00 33.50 32.24 2qjp n PRO 421 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qjp h ALA 422 N -0.03 0.79 -2.60 3.55 0.00 -1.96 -3.46 119.26 115.55 2qjp h ALA 422 Ca -0.46 -0.50 -0.08 0.00 0.00 0.00 0.00 54.91 53.87 2qjp h ALA 422 Cb 1.37 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.93 2qjp h ALA 422 CO 0.46 0.69 -0.24 0.95 0.00 0.00 0.00 179.25 181.10 2qjp s THR 423 N -3.97 0.11 0.23 0.00 -4.23 -1.26 -5.02 115.64 101.49 2qjp s THR 423 Ca -0.06 -0.87 -0.08 0.00 -1.18 0.00 0.00 61.69 59.50 2qjp s THR 423 Cb 0.12 -1.20 0.20 0.00 1.34 0.00 0.00 72.50 72.96 2qjp s THR 423 CO 0.82 -0.48 1.86 0.40 -0.54 0.00 0.00 174.62 176.68 2qjp h ILE 424 N 2.72 1.25 -0.21 2.99 2.04 -1.84 -1.78 117.51 122.67 2qjp h ILE 424 Ca -0.34 -0.58 0.06 0.00 1.00 0.00 0.00 64.86 65.00 2qjp h ILE 424 Cb 1.22 0.05 -0.07 0.00 -0.74 0.00 0.00 36.82 37.29 2qjp h ILE 424 CO 0.51 0.27 -0.24 -0.08 0.00 0.00 0.00 178.15 178.60 2qjp h GLU 425 N 1.20 -0.26 -0.95 2.37 4.81 -1.84 0.35 114.58 120.27 2qjp h GLU 425 Ca 0.31 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.65 2qjp h GLU 425 Cb -0.01 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.36 2qjp h GLU 425 CO -0.05 -0.17 0.59 1.49 -0.73 0.00 0.00 179.01 180.13 2qjp h GLU 426 N -0.27 0.95 -0.14 1.92 4.81 -1.76 -0.57 114.58 119.53 2qjp h GLU 426 Ca 0.13 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 2qjp h GLU 426 Cb 0.46 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 2qjp h GLU 426 CO -0.37 0.63 -0.09 0.22 -0.73 0.00 0.00 179.01 178.67 2qjp h ASP 427 N 0.98 0.33 -0.33 1.04 1.82 -0.35 -1.72 116.42 118.20 2qjp h ASP 427 Ca 0.45 -0.44 0.06 0.00 -0.39 0.00 0.00 57.03 56.71 2qjp h ASP 427 Cb 0.36 -0.09 -0.05 0.00 0.68 0.00 0.00 39.33 40.22 2qjp h ASP 427 CO -0.23 0.70 -0.00 0.15 -1.61 0.00 0.00 179.24 178.24 2qjp h PHE 428 N -0.03 -0.02 0.44 0.28 3.57 0.26 -3.03 116.94 118.40 2qjp h PHE 428 Ca 0.03 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 2qjp h PHE 428 Cb 0.58 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.39 2qjp h PHE 428 CO 0.07 -0.06 -0.21 -0.91 -2.23 0.00 0.00 178.31 174.97 2qjp h ASN 429 N 0.09 -0.50 0.00 0.41 2.35 -1.14 -3.51 115.58 113.28 2qjp h ASN 429 Ca 0.16 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 2qjp h ASN 429 Cb 0.22 0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.72 2qjp h ASN 429 CO -0.27 -0.18 0.00 0.00 -1.65 0.00 0.00 177.43 175.33