#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qln s ILE 13 N 0.00 3.14 0.14 1.69 -4.36 -1.26 -5.07 121.20 115.48 2qln s ILE 13 Ca 0.00 -1.16 -0.18 0.00 -0.26 0.00 0.00 60.65 59.05 2qln s ILE 13 Cb 0.00 -2.39 -0.02 0.00 1.25 0.00 0.00 42.46 41.30 2qln s ILE 13 CO 0.00 0.26 1.76 -1.28 0.24 0.00 0.00 174.94 175.91 2qln h SER 14 N 4.18 0.13 0.29 4.36 0.87 -1.96 -2.79 113.55 118.63 2qln h SER 14 Ca -0.48 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 2qln h SER 14 Cb 1.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2qln h SER 14 CO 0.50 0.11 0.00 -0.37 -0.53 0.00 0.00 176.83 176.54 2qln h VAL 15 N 0.23 0.00 -0.00 2.23 -1.51 -1.95 -2.00 116.25 113.25 2qln h VAL 15 Ca 0.12 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 65.49 2qln h VAL 15 Cb 0.07 0.71 0.00 0.00 -2.13 0.00 0.00 31.29 29.95 2qln h VAL 15 CO -0.11 0.00 -0.01 0.54 -1.23 0.00 0.00 177.57 176.76 2qln n ARG 16 N -2.33 1.05 0.00 5.19 1.74 -1.05 -5.03 116.66 116.23 2qln n ARG 16 Ca -0.00 -0.21 0.00 0.00 -0.77 0.00 0.00 57.85 56.87 2qln n ARG 16 Cb 0.11 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 2qln n ARG 16 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qln n GLY 17 N 1.08 -2.90 3.82 -0.13 0.00 -0.75 -1.79 105.19 104.52 2qln n GLY 17 Ca 0.21 -1.88 -0.36 0.00 0.00 0.00 0.00 46.02 43.99 2qln n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qln s LEU 18 N 0.00 4.35 -0.79 0.99 2.01 -1.26 -4.67 118.68 119.30 2qln s LEU 18 Ca 0.00 1.34 0.02 0.00 0.01 0.00 0.00 54.13 55.50 2qln s LEU 18 Cb 0.00 -3.48 0.25 0.00 0.01 0.00 0.00 46.19 42.97 2qln s LEU 18 CO 0.00 0.06 0.87 0.00 1.01 0.00 0.00 176.35 178.29 2qln n ALA 19 N 0.80 4.16 -1.75 4.21 0.00 -1.26 -3.72 120.51 122.95 2qln n ALA 19 Ca -0.03 -4.72 -0.35 0.00 0.00 0.00 0.00 53.44 48.34 2qln n ALA 19 Cb 0.51 -1.38 0.01 0.00 0.00 0.00 0.00 19.45 18.59 2qln n ALA 19 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2qln s GLY 20 N -1.71 2.61 0.17 0.00 0.00 -1.26 -4.87 107.32 102.26 2qln s GLY 20 Ca 0.34 0.83 -0.14 0.00 0.00 0.00 0.00 44.72 45.74 2qln s GLY 20 CO -0.03 1.19 1.74 -2.08 0.00 0.00 0.00 173.10 173.91 2qln h VAL 21 N 1.06 0.82 -0.23 1.40 2.07 -1.99 -1.11 116.25 118.26 2qln h VAL 21 Ca -0.50 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 2qln h VAL 21 Cb 1.27 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 2qln h VAL 21 CO 0.56 0.05 0.13 -0.08 0.02 0.00 0.00 177.57 178.25 2qln h GLU 22 N 0.28 0.33 -0.23 1.57 4.57 -2.00 -2.32 114.58 116.78 2qln h GLU 22 Ca 0.21 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.33 2qln h GLU 22 Cb 0.23 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 2qln h GLU 22 CO -0.24 0.30 0.06 -0.91 -1.18 0.00 0.00 179.01 177.04 2qln h ASN 23 N 0.27 0.35 -0.61 1.04 4.21 -1.88 -1.87 115.58 117.09 2qln h ASN 23 Ca 0.08 -0.23 -0.00 0.00 1.21 0.00 0.00 56.30 57.36 2qln h ASN 23 Cb 0.07 -0.09 -0.03 0.00 -1.12 0.00 0.00 38.32 37.14 2qln h ASN 23 CO -0.01 0.49 0.37 0.58 -1.29 0.00 0.00 177.43 177.57 2qln h VAL 24 N 0.19 1.17 -0.32 2.81 2.07 -1.20 0.11 116.25 121.08 2qln h VAL 24 Ca 0.07 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 2qln h VAL 24 Cb 0.28 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 2qln h VAL 24 CO 0.00 0.18 0.17 0.74 0.02 0.00 0.00 177.57 178.68 2qln h THR 25 N 0.82 1.14 -0.58 2.57 2.02 -1.39 -1.76 112.91 115.74 2qln h THR 25 Ca 0.22 -0.37 -0.04 0.00 0.77 0.00 0.00 66.41 66.99 2qln h THR 25 Cb -0.04 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 2qln h THR 25 CO -0.04 0.14 0.19 -0.08 0.37 0.00 0.00 175.52 176.10 2qln h GLU 26 N 0.40 0.90 -0.64 6.66 4.57 -1.06 -2.60 114.58 122.81 2qln h GLU 26 Ca 0.11 -0.19 -0.03 0.00 -1.18 0.00 0.00 59.36 58.08 2qln h GLU 26 Cb 0.07 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.50 2qln h GLU 26 CO -0.02 0.80 0.28 -0.07 -1.18 0.00 0.00 179.01 178.83 2qln h LEU 27 N 0.82 0.86 -0.85 1.64 3.38 -0.85 -2.09 115.31 118.21 2qln h LEU 27 Ca 0.19 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2qln h LEU 27 Cb 0.27 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 2qln h LEU 27 CO -0.01 0.77 0.47 0.11 0.09 0.00 0.00 178.44 179.87 2qln h LYS 28 N 0.89 1.18 0.01 1.13 1.57 -1.18 -0.47 116.57 119.70 2qln h LYS 28 Ca 0.22 -0.14 -0.20 0.00 -1.87 0.00 0.00 60.65 58.66 2qln h LYS 28 Cb 0.16 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2qln h LYS 28 CO -0.02 0.86 -0.91 1.57 -0.57 0.00 0.00 179.45 180.39 2qln h LYS 29 N 1.18 0.19 -0.04 3.15 2.10 -1.36 -2.35 116.57 119.44 2qln h LYS 29 Ca 0.30 -0.21 -0.14 0.00 -2.00 0.00 0.00 60.65 58.60 2qln h LYS 29 Cb 0.02 0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 31.40 2qln h LYS 29 CO -0.05 0.97 -0.59 -0.91 -2.00 0.00 0.00 179.45 176.87 2qln h ASN 30 N 0.10 0.17 -0.10 7.07 2.35 -1.22 -0.76 115.58 123.17 2qln h ASN 30 Ca -0.05 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 2qln h ASN 30 Cb 1.55 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 39.87 2qln h ASN 30 CO 0.14 0.72 0.04 0.15 -1.65 0.00 0.00 177.43 176.82 2qln h PHE 31 N 0.11 0.16 -0.21 1.19 3.57 -1.05 -1.59 116.94 119.12 2qln h PHE 31 Ca -0.00 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.40 2qln h PHE 31 Cb 1.07 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 2qln h PHE 31 CO 0.01 0.25 -0.23 -0.91 -2.23 0.00 0.00 178.31 175.20 2qln h ASN 32 N 0.01 0.38 -0.30 0.41 2.35 -1.34 -1.26 115.58 115.83 2qln h ASN 32 Ca 0.03 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.65 2qln h ASN 32 Cb 0.16 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 2qln h ASN 32 CO -0.00 0.62 0.10 -0.09 -1.65 0.00 0.00 177.43 176.41 2qln h ARG 33 N 0.34 0.46 -0.51 0.81 2.43 -1.05 -2.44 114.38 114.43 2qln h ARG 33 Ca 0.05 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 59.03 2qln h ARG 33 Cb 0.61 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 2qln h ARG 33 CO 0.04 0.50 -0.09 0.45 -1.51 0.00 0.00 179.97 179.36 2qln h HIS 34 N 0.33 1.03 -0.92 2.20 3.86 -1.07 0.17 115.15 120.75 2qln h HIS 34 Ca 0.10 -0.20 0.01 0.00 -1.16 0.00 0.00 60.37 59.12 2qln h HIS 34 Cb 0.22 -0.26 -0.05 0.00 1.06 0.00 0.00 27.41 28.38 2qln h HIS 34 CO 0.00 0.97 0.61 1.25 0.86 0.00 0.00 177.93 181.62 2qln h LEU 35 N 0.84 1.04 0.03 2.43 5.85 -1.19 -0.24 115.31 124.08 2qln h LEU 35 Ca 0.14 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 2qln h LEU 35 Cb 0.62 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.40 2qln h LEU 35 CO 0.04 0.75 -0.02 -0.74 -0.34 0.00 0.00 178.44 178.13 2qln h HIS 36 N 1.23 -0.04 0.06 1.25 2.76 -1.19 -1.90 115.15 117.31 2qln h HIS 36 Ca 0.34 -0.00 -0.24 0.00 -2.20 0.00 0.00 60.37 58.27 2qln h HIS 36 Cb -0.12 0.01 0.00 0.00 1.55 0.00 0.00 27.41 28.86 2qln h HIS 36 CO -0.00 -0.03 -1.06 0.74 -1.30 0.00 0.00 177.93 176.28 2qln h PHE 37 N -0.52 0.54 0.03 5.26 0.04 -0.75 -2.11 116.94 119.44 2qln h PHE 37 Ca -0.00 -0.34 -0.22 0.00 2.80 0.00 0.00 57.97 60.21 2qln h PHE 37 Cb 0.03 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.12 2qln h PHE 37 CO 0.01 1.19 -1.19 1.15 -0.60 0.00 0.00 178.31 178.87 2qln h THR 38 N 0.16 1.03 0.00 -1.55 2.02 -1.23 -3.38 112.91 109.96 2qln h THR 38 Ca -0.10 -2.26 0.00 0.00 0.77 0.00 0.00 66.41 64.82 2qln h THR 38 Cb 1.74 2.50 0.00 0.00 -1.74 0.00 0.00 68.15 70.64 2qln h THR 38 CO 0.18 0.48 -0.81 0.18 0.37 0.00 0.00 175.52 175.92 2qln n LEU 39 N -4.27 0.64 -3.47 2.58 4.77 -0.33 -4.99 117.00 111.93 2qln n LEU 39 Ca -0.28 0.09 -0.21 0.00 -0.03 0.00 0.00 56.01 55.58 2qln n LEU 39 Cb 0.73 -0.15 0.06 0.00 -2.33 0.00 0.00 43.42 41.73 2qln n LEU 39 CO 0.27 0.01 -0.01 0.52 -1.33 0.00 0.00 177.39 176.86 2qln n VAL 40 N -1.99 -7.00 -4.10 4.08 0.31 -0.79 -5.00 118.33 103.85 2qln n VAL 40 Ca 0.03 -0.97 -0.07 0.00 -0.01 0.00 0.00 64.34 63.31 2qln n VAL 40 Cb 0.43 -5.23 -0.10 0.00 -0.91 0.00 0.00 33.84 28.03 2qln n VAL 40 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2qln s LYS 41 N -5.24 0.67 0.41 5.55 -0.14 -0.73 -5.03 119.74 115.23 2qln s LYS 41 Ca 0.31 -1.25 0.07 0.00 -1.36 0.00 0.00 55.97 53.74 2qln s LYS 41 Cb -0.07 0.22 -0.07 0.00 -1.68 0.00 0.00 37.83 36.23 2qln s LYS 41 CO 0.78 -0.14 0.04 0.16 -0.76 0.00 0.00 175.35 175.43 2qln s ASP 42 N -2.94 3.98 0.37 2.83 -4.77 -1.26 -3.84 116.67 111.03 2qln s ASP 42 Ca 0.10 -1.31 0.23 0.00 -3.30 0.00 0.00 52.55 48.27 2qln s ASP 42 Cb 0.08 -0.41 1.25 0.00 -1.09 0.00 0.00 42.92 42.74 2qln s ASP 42 CO -0.08 -0.46 1.68 0.03 0.70 0.00 0.00 175.17 177.05 2qln h ARG 43 N 1.72 0.00 -0.00 2.11 2.47 -1.96 -2.17 114.38 116.54 2qln h ARG 43 Ca -0.44 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.08 2qln h ARG 43 Cb 1.24 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.56 2qln h ARG 43 CO 0.79 0.00 -0.89 -0.91 0.56 0.00 0.00 179.97 179.52 2qln h ASN 44 N 0.00 0.34 -0.01 7.04 2.35 -2.05 -3.35 115.58 119.90 2qln h ASN 44 Ca 0.00 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 2qln h ASN 44 Cb 0.12 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.39 2qln h ASN 44 CO 0.00 1.07 -0.03 1.33 -1.65 0.00 0.00 177.43 178.15 2qln n VAL 45 N -3.69 0.00 -2.43 2.81 0.24 -0.85 -5.03 118.33 109.39 2qln n VAL 45 Ca -0.04 -0.49 -0.41 0.00 -2.04 0.00 0.00 64.34 61.36 2qln n VAL 45 Cb 0.81 1.13 -0.03 0.00 -1.47 0.00 0.00 33.84 34.27 2qln n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qln s ALA 46 N -0.67 3.40 0.38 2.33 0.00 -1.03 -4.97 121.76 121.20 2qln s ALA 46 Ca 0.07 0.88 0.04 0.00 0.00 0.00 0.00 51.96 52.95 2qln s ALA 46 Cb 0.06 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.77 2qln s ALA 46 CO 0.10 -0.34 0.56 0.95 0.00 0.00 0.00 175.76 177.03 2qln s THR 47 N 0.19 4.06 0.47 0.00 -4.23 -1.26 -4.98 115.64 109.89 2qln s THR 47 Ca 0.53 -0.78 0.23 0.00 -1.18 0.00 0.00 61.69 60.50 2qln s THR 47 Cb -0.31 -3.45 0.42 0.00 1.34 0.00 0.00 72.50 70.51 2qln s THR 47 CO 0.34 -0.24 1.87 -0.65 -0.54 0.00 0.00 174.62 175.40 2qln h PRO 48 N 0.68 0.23 -0.64 3.99 0.11 -1.99 -0.82 132.00 133.54 2qln h PRO 48 Ca -0.46 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.55 2qln h PRO 48 Cb 1.25 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 2qln h PRO 48 CO 0.55 0.15 0.06 -0.09 -0.21 0.00 0.00 178.00 178.46 2qln h ARG 49 N 0.23 1.08 -0.79 1.05 2.43 -1.97 -0.89 114.38 115.53 2qln h ARG 49 Ca 0.45 -0.31 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 2qln h ARG 49 Cb 1.40 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.80 2qln h ARG 49 CO -0.11 1.02 0.52 -0.44 -1.51 0.00 0.00 179.97 179.45 2qln h ASP 50 N 1.00 0.90 -0.59 -3.80 3.45 -1.55 -1.71 116.42 114.13 2qln h ASP 50 Ca 0.19 -0.02 -0.09 0.00 0.43 0.00 0.00 57.03 57.54 2qln h ASP 50 Cb 0.49 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 39.02 2qln h ASP 50 CO 0.02 0.65 0.03 1.88 -1.57 0.00 0.00 179.24 180.25 2qln h TYR 51 N 1.06 1.12 -0.05 4.55 0.05 -1.05 -1.35 116.97 121.30 2qln h TYR 51 Ca 0.29 -0.18 0.02 0.00 0.05 0.00 0.00 58.73 58.91 2qln h TYR 51 Cb -0.12 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 37.30 2qln h TYR 51 CO -0.02 0.98 -0.06 -0.92 -1.05 0.00 0.00 178.16 177.09 2qln h TYR 52 N 0.96 -0.14 -0.72 4.88 3.20 -0.87 -2.24 116.97 122.04 2qln h TYR 52 Ca 0.18 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 2qln h TYR 52 Cb 0.51 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.82 2qln h TYR 52 CO 0.04 -0.09 0.28 0.74 -1.64 0.00 0.00 178.16 177.49 2qln h PHE 53 N -0.08 1.08 -0.77 -3.82 -1.00 -1.11 0.50 116.94 111.74 2qln h PHE 53 Ca 0.04 -0.07 -0.02 0.00 2.81 0.00 0.00 57.97 60.73 2qln h PHE 53 Cb 0.14 -0.32 -0.04 0.00 3.61 0.00 0.00 35.95 39.34 2qln h PHE 53 CO -0.15 0.82 0.42 0.00 -1.61 0.00 0.00 178.31 177.79 2qln h ALA 54 N 1.27 0.99 -0.17 2.45 0.00 -1.18 -0.45 119.26 122.17 2qln h ALA 54 Ca 0.24 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2qln h ALA 54 Cb 0.20 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2qln h ALA 54 CO -0.02 0.50 -0.00 1.25 0.00 0.00 0.00 179.25 180.98 2qln h LEU 55 N 1.07 0.30 -0.36 0.00 5.85 -0.92 -1.95 115.31 119.29 2qln h LEU 55 Ca 0.27 -0.31 0.07 0.00 0.84 0.00 0.00 57.88 58.75 2qln h LEU 55 Cb 0.03 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 2qln h LEU 55 CO -0.04 0.53 -0.02 0.00 -0.34 0.00 0.00 178.44 178.57 2qln h ALA 56 N 0.77 0.31 -0.51 1.25 0.00 -0.73 -0.46 119.26 119.88 2qln h ALA 56 Ca 0.05 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2qln h ALA 56 Cb 0.38 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2qln h ALA 56 CO 0.01 -0.42 0.16 0.45 0.00 0.00 0.00 179.25 179.45 2qln h HIS 57 N 0.07 0.77 -0.38 0.00 3.86 -1.08 -0.06 115.15 118.33 2qln h HIS 57 Ca 0.18 -0.05 -0.04 0.00 -1.16 0.00 0.00 60.37 59.30 2qln h HIS 57 Cb 0.25 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.47 2qln h HIS 57 CO -0.27 0.63 0.09 1.15 0.86 0.00 0.00 177.93 180.39 2qln h THR 58 N 0.74 1.23 -0.34 2.45 2.02 -0.55 -2.14 112.91 116.32 2qln h THR 58 Ca 0.17 -0.77 -0.10 0.00 0.77 0.00 0.00 66.41 66.48 2qln h THR 58 Cb 0.22 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 2qln h THR 58 CO -0.01 0.26 -0.19 0.58 0.37 0.00 0.00 175.52 176.54 2qln h VAL 59 N 0.46 1.29 -0.93 3.16 2.07 -0.89 -3.01 116.25 118.41 2qln h VAL 59 Ca 0.12 -1.31 0.13 0.00 0.82 0.00 0.00 66.70 66.45 2qln h VAL 59 Cb 0.31 1.40 -0.07 0.00 -1.52 0.00 0.00 31.29 31.41 2qln h VAL 59 CO 0.00 0.43 0.59 -0.09 0.02 0.00 0.00 177.57 178.52 2qln h ARG 60 N 0.50 0.81 -0.89 1.57 2.43 -0.95 -1.44 114.38 116.41 2qln h ARG 60 Ca 0.07 -0.05 0.15 0.00 -0.81 0.00 0.00 59.98 59.35 2qln h ARG 60 Cb 0.73 -0.18 -0.07 0.00 -0.42 0.00 0.00 29.97 30.03 2qln h ARG 60 CO 0.05 0.54 0.58 -0.44 -1.51 0.00 0.00 179.97 179.19 2qln h ASP 61 N 0.84 0.62 0.94 -3.80 3.45 -1.24 -1.23 116.42 116.00 2qln h ASP 61 Ca 0.46 0.04 -0.02 0.00 0.43 0.00 0.00 57.03 57.95 2qln h ASP 61 Cb 0.57 -0.08 -0.00 0.00 -0.56 0.00 0.00 39.33 39.26 2qln h ASP 61 CO -0.22 0.30 -0.07 0.45 -1.57 0.00 0.00 179.24 178.13 2qln h HIS 62 N 0.65 0.00 0.00 4.55 3.86 -1.34 -3.04 115.15 119.83 2qln h HIS 62 Ca 0.46 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.51 2qln h HIS 62 Cb 0.79 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.24 2qln h HIS 62 CO -0.00 0.07 -0.74 -0.07 0.86 0.00 0.00 177.93 178.05 2qln h LEU 63 N 0.00 0.00 0.24 2.43 3.38 -1.25 -3.41 115.31 116.71 2qln h LEU 63 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2qln h LEU 63 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2qln h LEU 63 CO 0.01 0.74 -0.12 0.58 0.09 0.00 0.00 178.44 179.74 2qln h VAL 64 N 0.00 0.80 -0.38 1.22 2.07 -1.49 0.80 116.25 119.27 2qln h VAL 64 Ca -0.01 -0.25 0.06 0.00 0.82 0.00 0.00 66.70 67.32 2qln h VAL 64 Cb 1.43 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 32.10 2qln h VAL 64 CO 0.10 0.06 0.09 1.23 0.02 0.00 0.00 177.57 179.06 2qln h GLY 65 N -0.46 0.46 1.16 2.17 0.00 -1.78 -0.92 103.07 103.70 2qln h GLY 65 Ca -0.03 -0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 2qln h GLY 65 CO 0.05 -0.02 0.24 3.21 0.00 0.00 0.00 176.54 180.02 2qln h ARG 66 N 0.22 1.06 -0.18 4.80 3.08 -1.73 -1.66 114.38 119.97 2qln h ARG 66 Ca 0.18 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2qln h ARG 66 Cb 0.21 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 2qln h ARG 66 CO -0.23 0.89 0.08 2.35 -1.07 0.00 0.00 179.97 181.99 2qln h TRP 67 N 1.03 0.27 -0.48 3.04 7.01 -0.23 -0.01 115.95 126.58 2qln h TRP 67 Ca 0.23 -0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.18 2qln h TRP 67 Cb 0.26 -0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.21 2qln h TRP 67 CO 0.02 0.32 0.19 0.82 -2.79 0.00 0.00 178.44 177.00 2qln h ILE 68 N 0.14 1.21 -0.00 2.65 2.04 -1.08 -2.69 117.51 119.78 2qln h ILE 68 Ca 0.06 -0.66 -0.15 0.00 1.00 0.00 0.00 64.86 65.11 2qln h ILE 68 Cb 0.16 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 2qln h ILE 68 CO -0.01 0.25 -0.71 0.08 0.00 0.00 0.00 178.15 177.76 2qln h ARG 69 N 0.64 0.01 -0.20 2.37 0.11 -1.21 -1.93 114.38 114.17 2qln h ARG 69 Ca 0.16 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.22 2qln h ARG 69 Cb 0.20 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.28 2qln h ARG 69 CO -0.01 0.72 0.09 1.15 0.10 0.00 0.00 179.97 182.02 2qln h THR 70 N 0.01 1.14 -0.43 0.08 2.02 -0.96 -0.58 112.91 114.20 2qln h THR 70 Ca -0.01 -0.42 -0.09 0.00 0.77 0.00 0.00 66.41 66.66 2qln h THR 70 Cb 1.26 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 2qln h THR 70 CO 0.09 0.14 -0.11 1.56 0.37 0.00 0.00 175.52 177.58 2qln h GLN 71 N 0.18 0.77 -0.12 6.66 1.08 -1.41 -1.95 115.11 120.31 2qln h GLN 71 Ca 0.07 -0.25 -0.12 0.00 -1.45 0.00 0.00 58.65 56.89 2qln h GLN 71 Cb 0.14 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 2qln h GLN 71 CO -0.01 0.85 -0.45 -0.56 -0.95 0.00 0.00 178.83 177.71 2qln h GLN 72 N 0.70 0.30 -0.45 1.46 3.07 -1.31 -2.52 115.11 116.36 2qln h GLN 72 Ca 0.12 -0.16 0.02 0.00 0.09 0.00 0.00 58.65 58.72 2qln h GLN 72 Cb 0.58 0.01 -0.03 0.00 0.08 0.00 0.00 27.48 28.12 2qln h GLN 72 CO 0.04 0.70 0.27 1.25 0.09 0.00 0.00 178.83 181.17 2qln h HIS 73 N 0.24 0.50 -0.38 0.06 2.76 -0.76 -1.75 115.15 115.83 2qln h HIS 73 Ca 0.02 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.16 2qln h HIS 73 Cb 0.90 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.68 2qln h HIS 73 CO 0.02 0.29 0.04 1.88 -1.30 0.00 0.00 177.93 178.86 2qln h TYR 74 N 0.54 0.59 -0.48 5.26 0.05 -1.23 -0.90 116.97 120.80 2qln h TYR 74 Ca 0.18 -0.05 -0.07 0.00 0.05 0.00 0.00 58.73 58.84 2qln h TYR 74 Cb 0.01 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 37.56 2qln h TYR 74 CO -0.07 0.55 0.03 -0.92 -1.05 0.00 0.00 178.16 176.70 2qln h TYR 75 N 0.56 0.90 -0.10 4.88 3.20 -1.08 0.00 116.97 125.32 2qln h TYR 75 Ca 0.12 -0.15 -0.11 0.00 3.14 0.00 0.00 58.73 61.74 2qln h TYR 75 Cb 0.30 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.33 2qln h TYR 75 CO 0.01 0.85 -0.37 0.93 -1.64 0.00 0.00 178.16 177.93 2qln h GLU 76 N 0.69 0.43 0.00 1.82 4.39 -1.05 -3.30 114.58 117.56 2qln h GLU 76 Ca 0.14 -0.33 -0.04 0.00 0.34 0.00 0.00 59.36 59.47 2qln h GLU 76 Cb 0.47 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 2qln h GLU 76 CO 0.02 0.96 -0.40 0.87 -1.16 0.00 0.00 179.01 179.30 2qln h LYS 77 N -0.01 0.00 -6.59 2.33 1.57 -1.24 -3.49 116.57 109.15 2qln h LYS 77 Ca -0.02 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.24 2qln h LYS 77 Cb 1.01 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.34 2qln h LYS 77 CO 0.08 0.14 -0.97 -3.47 -0.57 0.00 0.00 179.45 174.66 2qln n ASP 78 N -3.04 -4.28 -4.83 0.86 2.03 -0.01 -4.97 116.55 102.30 2qln n ASP 78 Ca 0.02 -1.15 -0.29 0.00 0.52 0.00 0.00 54.79 53.89 2qln n ASP 78 Cb 0.60 -2.55 0.10 0.00 -0.72 0.00 0.00 41.12 38.56 2qln n ASP 78 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2qln s PRO 79 N -6.71 1.82 0.26 -0.67 0.04 -1.26 -4.99 135.00 123.49 2qln s PRO 79 Ca 0.44 0.07 -0.30 0.00 0.04 0.00 0.00 61.00 61.25 2qln s PRO 79 Cb -0.20 -1.94 -0.11 0.00 0.04 0.00 0.00 34.50 32.29 2qln s PRO 79 CO 0.92 -1.69 1.60 0.21 0.04 0.00 0.00 177.00 178.07 2qln s LYS 80 N -5.59 4.15 -0.13 4.56 2.20 -1.26 -4.97 119.74 118.70 2qln s LYS 80 Ca 0.63 2.53 -0.06 0.00 -0.36 0.00 0.00 55.97 58.71 2qln s LYS 80 Cb -0.11 -3.05 -0.04 0.00 -1.51 0.00 0.00 37.83 33.12 2qln s LYS 80 CO 0.50 -0.63 0.11 1.03 -0.36 0.00 0.00 175.35 176.00 2qln s ARG 81 N -0.08 3.47 -0.21 4.03 1.81 -0.25 -4.55 118.95 123.17 2qln s ARG 81 Ca 0.65 -0.21 -0.07 0.00 -1.72 0.00 0.00 55.73 54.38 2qln s ARG 81 Cb -0.47 -3.14 -0.04 0.00 -0.45 0.00 0.00 34.95 30.85 2qln s ARG 81 CO 0.43 0.68 0.07 0.42 -0.68 0.00 0.00 175.30 176.23 2qln s ILE 82 N -0.77 4.63 -0.30 1.52 -1.09 -0.51 -1.25 121.20 123.44 2qln s ILE 82 Ca 0.13 -0.08 -0.02 0.00 -2.23 0.00 0.00 60.65 58.45 2qln s ILE 82 Cb -0.12 -3.12 0.05 0.00 -1.58 0.00 0.00 42.46 37.69 2qln s ILE 82 CO 0.03 0.41 0.01 -0.31 -1.23 0.00 0.00 174.94 173.84 2qln s TYR 83 N 0.85 3.24 -0.53 3.97 2.02 0.90 -0.64 117.35 127.17 2qln s TYR 83 Ca 0.04 -1.78 -0.19 0.00 -0.37 0.00 0.00 57.07 54.77 2qln s TYR 83 Cb -0.14 -2.12 0.07 0.00 -0.40 0.00 0.00 41.96 39.38 2qln s TYR 83 CO 0.02 -0.79 0.63 -0.47 -1.57 0.00 0.00 175.55 173.38 2qln s TYR 84 N 1.28 3.05 -0.25 2.71 5.04 -0.27 -0.62 117.35 128.29 2qln s TYR 84 Ca -0.04 -0.70 -0.18 0.00 -2.44 0.00 0.00 57.07 53.71 2qln s TYR 84 Cb -0.19 -3.66 -0.03 0.00 0.35 0.00 0.00 41.96 38.42 2qln s TYR 84 CO -0.01 -1.10 0.53 -0.51 -1.34 0.00 0.00 175.55 173.12 2qln s LEU 85 N 2.58 4.08 -0.04 6.97 1.02 -0.14 -1.76 118.68 131.39 2qln s LEU 85 Ca 0.13 0.58 -0.10 0.00 0.02 0.00 0.00 54.13 54.77 2qln s LEU 85 Cb -0.21 -2.70 0.02 0.00 0.02 0.00 0.00 46.19 43.32 2qln s LEU 85 CO 0.10 -0.27 0.23 -0.55 0.02 0.00 0.00 176.35 175.87 2qln s SER 86 N 1.44 -0.15 0.00 2.29 0.15 -0.90 -1.48 113.70 115.05 2qln s SER 86 Ca 0.22 0.18 0.28 0.00 0.70 0.00 0.00 55.95 57.34 2qln s SER 86 Cb -0.16 0.37 1.03 0.00 -1.71 0.00 0.00 66.02 65.55 2qln s SER 86 CO 0.09 -0.25 1.75 0.18 1.20 0.00 0.00 173.24 176.20 2qln n LEU 87 N 2.11 0.47 -3.87 3.45 7.99 -1.26 -4.06 117.00 121.83 2qln n LEU 87 Ca -0.18 0.05 -0.17 0.00 -0.01 0.00 0.00 56.01 55.71 2qln n LEU 87 Cb 0.57 -0.24 -0.16 0.00 -0.11 0.00 0.00 43.42 43.48 2qln n LEU 87 CO 0.20 0.09 -0.39 -1.61 -1.51 0.00 0.00 177.39 174.18 2qln s GLU 88 N -2.67 0.42 -0.30 3.23 2.02 -1.26 -4.66 118.70 115.48 2qln s GLU 88 Ca 0.22 -0.03 -0.02 0.00 0.02 0.00 0.00 54.97 55.17 2qln s GLU 88 Cb 0.19 -0.51 0.10 0.00 0.10 0.00 0.00 34.13 34.01 2qln s GLU 88 CO 0.53 -0.06 0.11 -0.06 0.02 0.00 0.00 175.26 175.81 2qln s PHE 89 N 0.67 1.16 -1.16 1.61 0.40 -0.45 -4.64 117.98 115.57 2qln s PHE 89 Ca -0.07 -1.39 -0.15 0.00 -0.60 0.00 0.00 56.93 54.72 2qln s PHE 89 Cb -0.10 -1.39 0.16 0.00 0.51 0.00 0.00 43.02 42.19 2qln s PHE 89 CO -0.01 -0.86 1.40 -0.47 0.70 0.00 0.00 175.22 175.98 2qln s TYR 90 N 1.81 3.39 0.08 0.36 6.14 -0.08 -3.69 117.35 125.36 2qln s TYR 90 Ca 0.09 -1.97 -0.01 0.00 0.64 0.00 0.00 57.07 55.82 2qln s TYR 90 Cb -0.17 -4.33 -0.26 0.00 0.42 0.00 0.00 41.96 37.61 2qln s TYR 90 CO -0.30 -1.44 1.14 0.52 0.64 0.00 0.00 175.55 176.11 2qln h MET 91 N 7.49 0.20 0.00 4.97 2.86 -1.78 -3.41 114.93 125.25 2qln h MET 91 Ca 0.29 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2qln h MET 91 Cb 0.90 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.69 2qln h MET 91 CO 1.23 1.14 0.00 0.41 1.06 0.00 0.00 176.91 180.76 2qln n GLY 92 N 1.50 0.29 3.84 8.32 0.00 -0.81 -4.82 105.19 113.52 2qln n GLY 92 Ca -0.07 -0.88 -0.32 0.00 0.00 0.00 0.00 46.02 44.74 2qln n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qln s ARG 93 N 0.00 4.00 -0.08 1.61 0.52 -1.26 -1.29 118.95 122.45 2qln s ARG 93 Ca 0.00 0.87 0.09 0.00 -0.52 0.00 0.00 55.73 56.17 2qln s ARG 93 Cb 0.00 -2.23 -0.13 0.00 0.52 0.00 0.00 34.95 33.11 2qln s ARG 93 CO 0.00 -0.11 0.07 2.41 0.02 0.00 0.00 175.30 177.69 2qln n THR 94 N -1.12 0.55 0.35 0.02 -1.04 -1.26 -4.68 114.28 107.09 2qln n THR 94 Ca 0.05 -0.38 -0.18 0.00 -2.04 0.00 0.00 64.05 61.50 2qln n THR 94 Cb 0.54 -0.55 -0.09 0.00 -1.82 0.00 0.00 70.33 68.41 2qln n THR 94 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2qln h LEU 95 N 0.00 -0.89 -0.66 -4.42 5.85 -1.97 -1.00 115.31 112.22 2qln h LEU 95 Ca -0.22 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.49 2qln h LEU 95 Cb 1.39 0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.65 2qln h LEU 95 CO 0.01 -0.57 0.17 -0.61 -0.34 0.00 0.00 178.44 177.10 2qln h GLN 96 N -0.92 1.05 -0.99 1.25 4.15 -1.96 -2.10 115.11 115.59 2qln h GLN 96 Ca -0.08 -0.25 0.04 0.00 0.77 0.00 0.00 58.65 59.13 2qln h GLN 96 Cb 0.73 -0.14 -0.06 0.00 0.21 0.00 0.00 27.48 28.22 2qln h GLN 96 CO 0.09 0.94 0.65 -0.97 -1.93 0.00 0.00 178.83 177.61 2qln h ASN 97 N 0.98 1.08 -0.38 -0.69 -0.73 -1.81 -0.20 115.58 113.83 2qln h ASN 97 Ca 0.21 -0.01 -0.06 0.00 1.87 0.00 0.00 56.30 58.30 2qln h ASN 97 Cb 0.35 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.69 2qln h ASN 97 CO 0.00 0.73 -0.01 0.74 -0.37 0.00 0.00 177.43 178.52 2qln h THR 98 N 1.25 1.26 -0.52 -3.57 2.02 -0.92 -2.30 112.91 110.13 2qln h THR 98 Ca 0.40 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.55 2qln h THR 98 Cb 0.01 1.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 2qln h THR 98 CO -0.13 0.34 0.33 0.24 0.37 0.00 0.00 175.52 176.67 2qln h MET 99 N 0.50 0.70 -0.12 6.66 2.86 -0.89 -1.94 114.93 122.70 2qln h MET 99 Ca 0.11 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.71 2qln h MET 99 Cb 0.49 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 2qln h MET 99 CO 0.02 0.49 0.00 0.28 1.06 0.00 0.00 176.91 178.76 2qln h VAL 100 N 0.70 0.92 0.00 -2.22 2.07 -0.98 0.10 116.25 116.84 2qln h VAL 100 Ca 0.19 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.69 2qln h VAL 100 Cb -0.04 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2qln h VAL 100 CO -0.04 0.01 0.00 0.78 0.02 0.00 0.00 177.57 178.34 2qln h ASN 101 N 0.05 0.00 -0.02 0.57 4.21 -1.28 -2.79 115.58 116.33 2qln h ASN 101 Ca 0.06 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.57 2qln h ASN 101 Cb 0.06 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.26 2qln h ASN 101 CO -0.09 0.00 -0.28 0.18 -1.29 0.00 0.00 177.43 175.95 2qln n LEU 102 N -2.70 2.20 -2.93 1.61 4.32 -0.74 -0.69 117.00 118.07 2qln n LEU 102 Ca 0.02 -0.85 -0.20 0.00 -0.02 0.00 0.00 56.01 54.96 2qln n LEU 102 Cb 0.32 0.00 0.05 0.00 -1.62 0.00 0.00 43.42 42.17 2qln n LEU 102 CO 0.26 0.40 0.12 0.00 -1.22 0.00 0.00 177.39 176.94 2qln n ALA 103 N 0.39 -1.00 0.70 -1.18 0.00 -0.20 -4.93 120.51 114.28 2qln n ALA 103 Ca 0.10 0.31 0.08 0.00 0.00 0.00 0.00 53.44 53.92 2qln n ALA 103 Cb 0.46 -4.22 -0.01 0.00 0.00 0.00 0.00 19.45 15.68 2qln n ALA 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qln n LEU 104 N -4.00 1.47 0.04 0.00 4.32 0.18 -4.47 117.00 114.54 2qln n LEU 104 Ca -0.04 -0.73 -0.12 0.00 -0.02 0.00 0.00 56.01 55.11 2qln n LEU 104 Cb 0.58 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.31 2qln n LEU 104 CO 0.49 0.29 0.84 -0.08 -1.22 0.00 0.00 177.39 177.71 2qln h GLU 105 N 1.49 -0.07 -0.57 3.23 4.81 -1.62 -0.31 114.58 121.54 2qln h GLU 105 Ca 0.00 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.13 2qln h GLU 105 Cb 0.51 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 2qln h GLU 105 CO 0.00 -0.04 -0.06 -0.91 -0.73 0.00 0.00 179.01 177.26 2qln h ASN 106 N -0.07 1.04 -0.11 1.04 2.35 -1.62 -0.98 115.58 117.22 2qln h ASN 106 Ca 0.02 -0.32 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 2qln h ASN 106 Cb 0.09 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 2qln h ASN 106 CO -0.04 1.12 0.07 0.00 -1.65 0.00 0.00 177.43 176.94 2qln h ALA 107 N 0.97 0.15 -0.70 -0.83 0.00 -1.58 -0.55 119.26 116.72 2qln h ALA 107 Ca 0.16 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2qln h ALA 107 Cb 0.63 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2qln h ALA 107 CO 0.04 -0.36 0.23 0.00 0.00 0.00 0.00 179.25 179.17 2qln h ASP 109 N 1.02 0.35 -0.21 0.00 1.82 -0.98 -0.39 116.42 118.01 2qln h ASP 109 Ca 0.23 0.02 -0.04 0.00 -0.39 0.00 0.00 57.03 56.85 2qln h ASP 109 Cb 0.28 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.24 2qln h ASP 109 CO -0.01 0.24 -0.03 -0.08 -1.61 0.00 0.00 179.24 177.75 2qln h GLU 110 N 0.47 0.40 -0.48 0.28 4.57 -0.85 -1.43 114.58 117.54 2qln h GLU 110 Ca 0.20 -0.14 0.02 0.00 -1.18 0.00 0.00 59.36 58.26 2qln h GLU 110 Cb 0.10 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 2qln h GLU 110 CO -0.14 0.63 0.29 0.00 -1.18 0.00 0.00 179.01 178.61 2qln h ALA 111 N 0.76 0.62 -0.25 2.92 0.00 -0.60 -1.64 119.26 121.06 2qln h ALA 111 Ca 0.06 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 2qln h ALA 111 Cb 0.47 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2qln h ALA 111 CO 0.02 -0.01 -0.46 1.79 0.00 0.00 0.00 179.25 180.59 2qln h THR 112 N 0.58 1.30 -0.52 0.00 1.35 -1.10 -2.80 112.91 111.73 2qln h THR 112 Ca 0.19 -1.66 0.02 0.00 -0.55 0.00 0.00 66.41 64.42 2qln h THR 112 Cb 0.01 1.60 -0.03 0.00 -1.73 0.00 0.00 68.15 67.99 2qln h THR 112 CO -0.08 0.53 0.31 0.22 -0.25 0.00 0.00 175.52 176.25 2qln h TYR 113 N 0.52 0.58 0.00 4.73 3.20 -0.97 0.17 116.97 125.21 2qln h TYR 113 Ca 0.03 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 2qln h TYR 113 Cb 1.00 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.08 2qln h TYR 113 CO 0.05 0.34 -0.20 1.96 -1.64 0.00 0.00 178.16 178.66 2qln h GLN 114 N 0.62 0.00 -0.00 1.82 4.20 -1.27 -0.98 115.11 119.49 2qln h GLN 114 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 2qln h GLN 114 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 2qln h GLN 114 CO -0.09 0.20 -0.02 1.28 -0.67 0.00 0.00 178.83 179.53 2qln n LEU 115 N -3.72 0.30 0.00 1.46 4.32 -0.87 -4.92 117.00 113.57 2qln n LEU 115 Ca -0.01 -0.02 0.00 0.00 -0.02 0.00 0.00 56.01 55.95 2qln n LEU 115 Cb 0.31 -0.08 0.00 0.00 -1.62 0.00 0.00 43.42 42.04 2qln n LEU 115 CO 0.33 0.05 0.00 0.61 -1.22 0.00 0.00 177.39 177.16 2qln n GLY 116 N 1.12 0.59 3.31 -0.72 0.00 -0.37 -5.07 105.19 104.04 2qln n GLY 116 Ca 0.20 -0.78 -0.24 0.00 0.00 0.00 0.00 46.02 45.20 2qln n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qln s LEU 117 N 0.00 2.34 -0.35 0.99 1.43 0.54 -5.00 118.68 118.64 2qln s LEU 117 Ca 0.00 -0.74 -0.12 0.00 -1.03 0.00 0.00 54.13 52.24 2qln s LEU 117 Cb 0.00 -0.90 0.00 0.00 0.03 0.00 0.00 46.19 45.33 2qln s LEU 117 CO 0.00 0.04 0.22 -0.62 0.23 0.00 0.00 176.35 176.22 2qln s ASP 118 N -2.14 5.84 0.33 2.29 3.68 -1.26 -3.13 116.67 122.28 2qln s ASP 118 Ca 0.10 -0.66 0.02 0.00 2.13 0.00 0.00 52.55 54.13 2qln s ASP 118 Cb -0.09 -2.07 0.58 0.00 -1.45 0.00 0.00 42.92 39.89 2qln s ASP 118 CO 0.05 -0.29 1.96 -0.03 0.13 0.00 0.00 175.17 176.99 2qln h MET 119 N 8.46 0.80 -0.52 4.34 1.85 -1.92 -2.42 114.93 125.52 2qln h MET 119 Ca -0.30 -0.08 -0.04 0.00 -0.61 0.00 0.00 59.70 58.67 2qln h MET 119 Cb 1.14 -0.16 -0.02 0.00 0.43 0.00 0.00 31.60 32.98 2qln h MET 119 CO 0.65 0.59 0.14 0.93 -0.40 0.00 0.00 176.91 178.83 2qln h GLU 120 N 0.81 0.77 -0.43 0.39 5.08 -1.99 0.21 114.58 119.43 2qln h GLU 120 Ca 0.21 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 2qln h GLU 120 Cb 0.03 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 2qln h GLU 120 CO -0.03 0.69 0.05 1.49 -1.00 0.00 0.00 179.01 180.20 2qln h GLU 121 N 0.75 0.72 -0.66 2.33 4.81 -1.88 -2.87 114.58 117.79 2qln h GLU 121 Ca 0.17 -0.21 -0.07 0.00 -0.13 0.00 0.00 59.36 59.12 2qln h GLU 121 Cb 0.25 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 2qln h GLU 121 CO -0.01 0.77 0.12 -0.07 -0.73 0.00 0.00 179.01 179.10 2qln h LEU 122 N 0.57 1.02 -1.45 1.64 4.07 -1.11 -2.98 115.31 117.06 2qln h LEU 122 Ca 0.13 -0.23 0.03 0.00 0.08 0.00 0.00 57.88 57.88 2qln h LEU 122 Cb 0.41 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 41.85 2qln h LEU 122 CO 0.01 1.00 0.40 -0.33 -1.08 0.00 0.00 178.44 178.44 2qln h GLU 123 N 1.01 0.71 0.00 1.13 5.08 -0.85 -2.28 114.58 119.38 2qln h GLU 123 Ca 0.20 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2qln h GLU 123 Cb 0.41 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2qln h GLU 123 CO 0.01 0.47 0.00 0.39 -1.00 0.00 0.00 179.01 178.88 2qln n GLU 124 N -4.46 0.15 0.13 2.33 -0.58 -1.09 -2.80 120.64 114.32 2qln n GLU 124 Ca 0.07 0.45 0.02 0.00 -0.42 0.00 0.00 57.16 57.28 2qln n GLU 124 Cb 0.11 -1.83 0.02 0.00 -0.57 0.00 0.00 31.44 29.16 2qln n GLU 124 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2qln h ILE 125 N 0.00 0.86 -3.23 -3.67 2.04 -1.49 -3.46 117.51 108.56 2qln h ILE 125 Ca 0.00 -2.23 -0.53 0.00 1.00 0.00 0.00 64.86 63.10 2qln h ILE 125 Cb 0.26 2.41 0.05 0.00 -0.74 0.00 0.00 36.82 38.80 2qln h ILE 125 CO 0.00 0.49 0.75 -0.70 0.00 0.00 0.00 178.15 178.70 2qln s GLU 126 N -2.95 4.29 0.27 2.37 2.12 -1.12 -5.00 118.70 118.68 2qln s GLU 126 Ca 0.04 2.23 -0.30 0.00 0.36 0.00 0.00 54.97 57.30 2qln s GLU 126 Cb 0.08 -3.15 -0.09 0.00 0.26 0.00 0.00 34.13 31.22 2qln s GLU 126 CO 0.75 -0.42 1.06 -1.21 -0.54 0.00 0.00 175.26 174.90 2qln s GLU 127 N 0.15 4.69 0.32 4.30 0.41 -1.26 -4.97 118.70 122.35 2qln s GLU 127 Ca 0.61 1.73 -0.29 0.00 -0.41 0.00 0.00 54.97 56.62 2qln s GLU 127 Cb -0.40 -3.21 -0.11 0.00 -1.78 0.00 0.00 34.13 28.63 2qln s GLU 127 CO 0.38 0.28 1.51 -0.51 -0.49 0.00 0.00 175.26 176.43 2qln s ASP 128 N -0.95 6.43 -0.87 -0.19 1.11 -1.26 -4.58 116.67 116.36 2qln s ASP 128 Ca 0.44 2.93 -0.25 0.00 0.18 0.00 0.00 52.55 55.85 2qln s ASP 128 Cb -0.31 -2.65 0.04 0.00 1.07 0.00 0.00 42.92 41.08 2qln s ASP 128 CO 0.39 -0.84 1.35 0.00 1.18 0.00 0.00 175.17 177.25 2qln s ALA 129 N -0.52 2.75 -0.82 5.23 0.00 -0.41 -4.89 121.76 123.09 2qln s ALA 129 Ca 0.58 -1.83 -0.03 0.00 0.00 0.00 0.00 51.96 50.68 2qln s ALA 129 Cb -0.46 -4.37 0.24 0.00 0.00 0.00 0.00 23.12 18.53 2qln s ALA 129 CO 0.54 -3.43 2.25 0.41 0.00 0.00 0.00 175.76 175.52 2qln n GLY 130 N 6.09 5.27 1.86 0.00 0.00 -1.26 -1.92 105.19 115.22 2qln n GLY 130 Ca 0.17 -2.28 -0.16 0.00 0.00 0.00 0.00 46.02 43.76 2qln n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qln n LEU 131 N 0.21 6.31 -3.66 0.99 4.77 -1.24 -0.82 117.00 123.56 2qln n LEU 131 Ca 0.52 -3.21 -0.09 0.00 -0.03 0.00 0.00 56.01 53.20 2qln n LEU 131 Cb 0.33 -1.04 -0.02 0.00 -2.33 0.00 0.00 43.42 40.36 2qln n LEU 131 CO 0.48 1.19 0.46 -0.83 -1.33 0.00 0.00 177.39 177.36 2qln s GLY 132 N 0.24 -0.33 -0.09 -0.72 0.00 -1.26 -1.34 107.32 103.83 2qln s GLY 132 Ca 0.29 0.09 -0.07 0.00 0.00 0.00 0.00 44.72 45.04 2qln s GLY 132 CO -0.00 0.03 0.51 3.43 0.00 0.00 0.00 173.10 177.07 2qln h ASN 133 N 2.00 0.45 0.00 1.64 2.35 -1.91 -3.40 115.58 116.71 2qln h ASN 133 Ca -0.26 -0.87 0.00 0.00 -0.55 0.00 0.00 56.30 54.63 2qln h ASN 133 Cb 1.27 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.50 2qln h ASN 133 CO 0.30 1.76 0.00 0.61 -1.65 0.00 0.00 177.43 178.45 2qln n GLY 134 N 1.91 0.29 0.28 2.83 0.00 -1.26 -4.92 105.19 104.31 2qln n GLY 134 Ca -0.28 0.44 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 2qln n GLY 134 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qln h GLY 135 N 0.00 0.99 0.96 -0.02 0.00 -1.98 -0.92 103.07 102.10 2qln h GLY 135 Ca 0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 2qln h GLY 135 CO 0.00 0.41 0.11 -2.00 0.00 0.00 0.00 176.54 175.06 2qln h LEU 136 N 0.92 0.69 -0.51 3.11 6.46 -1.99 -0.28 115.31 123.71 2qln h LEU 136 Ca 0.24 -0.23 -0.15 0.00 -0.12 0.00 0.00 57.88 57.62 2qln h LEU 136 Cb -0.01 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 39.74 2qln h LEU 136 CO -0.04 0.74 -0.40 1.23 -0.62 0.00 0.00 178.44 179.34 2qln h GLY 137 N 0.60 0.84 1.68 3.75 0.00 -1.78 -2.90 103.07 105.26 2qln h GLY 137 Ca 0.14 -0.86 -0.14 0.00 0.00 0.00 0.00 47.33 46.47 2qln h GLY 137 CO 0.00 0.78 -0.53 -0.09 0.00 0.00 0.00 176.54 176.69 2qln h ARG 138 N 0.63 0.34 -0.73 4.80 9.65 -1.08 -0.13 114.38 127.86 2qln h ARG 138 Ca 0.05 -0.21 0.00 0.00 -1.10 0.00 0.00 59.98 58.73 2qln h ARG 138 Cb 0.96 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.52 2qln h ARG 138 CO 0.09 0.79 0.47 1.25 2.80 0.00 0.00 179.97 185.37 2qln h LEU 139 N 0.26 0.85 -0.95 3.80 5.85 -0.98 -1.17 115.31 122.97 2qln h LEU 139 Ca 0.01 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.71 2qln h LEU 139 Cb 1.03 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.79 2qln h LEU 139 CO 0.09 0.63 0.63 0.00 -0.34 0.00 0.00 178.44 179.45 2qln h ALA 140 N 1.25 1.22 -0.33 1.25 0.00 -1.40 -0.59 119.26 120.68 2qln h ALA 140 Ca 0.26 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 2qln h ALA 140 Cb -0.09 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.32 2qln h ALA 140 CO -0.05 0.57 -0.10 0.00 0.00 0.00 0.00 179.25 179.67 2qln h ALA 141 N 1.36 0.45 -0.70 0.00 0.00 -1.25 -1.96 119.26 117.16 2qln h ALA 141 Ca 0.36 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2qln h ALA 141 Cb -0.11 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 2qln h ALA 141 CO -0.09 0.31 0.30 0.00 0.00 0.00 0.00 179.25 179.78 2qln h PHE 143 N 0.98 0.84 -0.64 0.00 -1.00 -0.98 -1.40 116.94 114.75 2qln h PHE 143 Ca 0.24 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 61.03 2qln h PHE 143 Cb 0.17 -0.27 -0.03 0.00 3.61 0.00 0.00 35.95 39.43 2qln h PHE 143 CO 0.01 0.47 0.36 -0.07 -1.61 0.00 0.00 178.31 177.47 2qln h LEU 144 N 0.87 0.79 -0.45 1.54 3.38 -1.18 0.41 115.31 120.68 2qln h LEU 144 Ca 0.30 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 2qln h LEU 144 Cb 0.05 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2qln h LEU 144 CO -0.12 0.65 0.26 -0.78 0.09 0.00 0.00 178.44 178.54 2qln h ASP 145 N 0.87 0.54 -0.52 -0.43 3.58 -1.26 -2.47 116.42 116.73 2qln h ASP 145 Ca 0.23 -0.07 -0.12 0.00 0.42 0.00 0.00 57.03 57.49 2qln h ASP 145 Cb 0.03 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 40.92 2qln h ASP 145 CO -0.04 0.45 -0.15 0.28 -2.88 0.00 0.00 179.24 176.90 2qln h SER 146 N 0.59 1.03 -0.71 2.28 0.02 -0.95 -1.85 113.55 113.96 2qln h SER 146 Ca 0.16 -0.37 -0.05 0.00 -0.84 0.00 0.00 61.79 60.69 2qln h SER 146 Cb 0.01 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.24 2qln h SER 146 CO -0.03 1.17 0.27 0.24 -1.14 0.00 0.00 176.83 177.34 2qln h MET 147 N 0.89 1.08 -0.30 3.45 2.86 -0.84 0.82 114.93 122.89 2qln h MET 147 Ca 0.13 -0.20 -0.07 0.00 -2.06 0.00 0.00 59.70 57.50 2qln h MET 147 Cb 0.73 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 2qln h MET 147 CO 0.06 0.89 -0.10 0.00 1.06 0.00 0.00 176.91 178.82 2qln h ALA 148 N 1.24 0.41 -0.11 6.32 0.00 -1.40 -0.35 119.26 125.37 2qln h ALA 148 Ca 0.24 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2qln h ALA 148 Cb 0.22 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2qln h ALA 148 CO -0.02 0.26 -0.11 1.15 0.00 0.00 0.00 179.25 180.54 2qln h THR 149 N 0.35 1.14 -0.54 0.00 2.02 -1.02 -2.28 112.91 112.58 2qln h THR 149 Ca 0.07 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.63 2qln h THR 149 Cb 0.60 1.18 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 2qln h THR 149 CO 0.03 0.19 0.00 0.18 0.37 0.00 0.00 175.52 176.30 2qln n LEU 150 N -4.33 3.37 -3.08 2.58 4.77 0.25 -4.72 117.00 115.85 2qln n LEU 150 Ca -0.01 -1.69 -0.22 0.00 -0.03 0.00 0.00 56.01 54.05 2qln n LEU 150 Cb 0.23 -0.43 0.04 0.00 -2.33 0.00 0.00 43.42 40.93 2qln n LEU 150 CO 0.37 0.72 0.04 0.61 -1.33 0.00 0.00 177.39 177.79 2qln n GLY 151 N 1.22 -0.51 3.84 -0.72 0.00 -0.86 -0.98 105.19 107.17 2qln n GLY 151 Ca 0.19 0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.99 2qln n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qln s LEU 152 N -6.73 4.42 -1.26 0.99 1.43 -0.18 -4.68 118.68 112.67 2qln s LEU 152 Ca 0.35 1.08 -0.18 0.00 -1.03 0.00 0.00 54.13 54.35 2qln s LEU 152 Cb -0.15 -3.01 0.00 0.00 0.03 0.00 0.00 46.19 43.06 2qln s LEU 152 CO 0.43 0.20 1.97 0.00 0.23 0.00 0.00 176.35 179.17 2qln n ALA 153 N 1.25 3.97 -2.55 4.21 0.00 -1.26 -4.65 120.51 121.48 2qln n ALA 153 Ca -0.09 -3.66 -0.32 0.00 0.00 0.00 0.00 53.44 49.37 2qln n ALA 153 Cb 0.52 -3.57 -0.11 0.00 0.00 0.00 0.00 19.45 16.28 2qln n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qln s ALA 154 N 4.94 2.88 -0.07 0.00 0.00 -1.26 -1.42 121.76 126.83 2qln s ALA 154 Ca 0.54 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 51.48 2qln s ALA 154 Cb 0.08 -1.03 0.01 0.00 0.00 0.00 0.00 23.12 22.19 2qln s ALA 154 CO 0.03 0.60 -0.14 0.71 0.00 0.00 0.00 175.76 176.96 2qln s TYR 155 N -0.94 1.60 -0.14 0.00 2.02 0.19 -4.07 117.35 116.01 2qln s TYR 155 Ca 0.16 -0.59 -0.17 0.00 -0.37 0.00 0.00 57.07 56.09 2qln s TYR 155 Cb -0.11 -1.15 -0.04 0.00 -0.40 0.00 0.00 41.96 40.26 2qln s TYR 155 CO 0.06 -0.29 0.45 0.20 -1.57 0.00 0.00 175.55 174.40 2qln s GLY 156 N 0.60 2.31 -0.10 0.71 0.00 -0.92 -1.12 107.32 108.80 2qln s GLY 156 Ca -0.15 -0.28 0.03 0.00 0.00 0.00 0.00 44.72 44.32 2qln s GLY 156 CO 0.04 0.76 -0.19 -0.19 0.00 0.00 0.00 173.10 173.52 2qln s TYR 157 N 0.76 2.18 0.00 1.90 2.02 -0.72 0.02 117.35 123.51 2qln s TYR 157 Ca 0.24 -0.93 0.00 0.00 -0.37 0.00 0.00 57.07 56.01 2qln s TYR 157 Cb -0.15 -1.50 0.00 0.00 -0.40 0.00 0.00 41.96 39.91 2qln s TYR 157 CO 0.09 -0.42 0.00 0.41 -1.57 0.00 0.00 175.55 174.06 2qln n GLY 158 N 3.79 3.22 3.33 0.71 0.00 -0.98 -2.11 105.19 113.15 2qln n GLY 158 Ca -0.20 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 44.88 2qln n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qln s ILE 159 N -1.99 2.38 -1.03 -0.61 1.01 -1.26 -1.32 121.20 118.37 2qln s ILE 159 Ca 0.00 -0.96 -0.19 0.00 0.00 0.00 0.00 60.65 59.50 2qln s ILE 159 Cb 0.00 -1.89 0.10 0.00 0.01 0.00 0.00 42.46 40.68 2qln s ILE 159 CO 0.00 0.57 1.33 -0.60 0.00 0.00 0.00 174.94 176.24 2qln s ARG 160 N -0.28 3.70 0.26 2.79 3.52 -0.45 -4.76 118.95 123.73 2qln s ARG 160 Ca 0.00 -1.68 -0.30 0.00 -0.13 0.00 0.00 55.73 53.62 2qln s ARG 160 Cb -0.13 -5.14 -0.09 0.00 -1.56 0.00 0.00 34.95 28.03 2qln s ARG 160 CO 0.03 -1.96 1.28 0.71 -0.81 0.00 0.00 175.30 174.54 2qln s TYR 161 N 3.43 3.23 0.25 5.12 2.02 -1.26 -4.76 117.35 125.40 2qln s TYR 161 Ca 0.40 1.36 0.04 0.00 -0.37 0.00 0.00 57.07 58.50 2qln s TYR 161 Cb -0.02 -3.58 0.32 0.00 -0.40 0.00 0.00 41.96 38.27 2qln s TYR 161 CO -0.07 -1.69 1.62 1.49 -1.57 0.00 0.00 175.55 175.34 2qln h GLU 162 N 4.45 0.33 -4.57 -0.62 4.81 -0.97 -3.42 114.58 114.58 2qln h GLU 162 Ca -0.46 -0.18 -0.58 0.00 -0.13 0.00 0.00 59.36 58.01 2qln h GLU 162 Cb 1.22 0.01 -0.36 0.00 0.63 0.00 0.00 28.75 30.25 2qln h GLU 162 CO 0.72 0.74 -0.83 -0.06 -0.73 0.00 0.00 179.01 178.85 2qln s PHE 163 N -4.03 1.96 0.00 0.92 0.40 0.17 -4.27 117.98 113.12 2qln s PHE 163 Ca -0.05 -1.05 0.00 0.00 -0.60 0.00 0.00 56.93 55.23 2qln s PHE 163 Cb 0.13 -1.47 0.00 0.00 0.51 0.00 0.00 43.02 42.18 2qln s PHE 163 CO 0.79 -0.60 0.00 0.41 0.70 0.00 0.00 175.22 176.53 2qln n GLY 164 N 4.71 0.64 3.69 4.36 0.00 -1.22 -1.86 105.19 115.51 2qln n GLY 164 Ca -0.16 -1.74 -0.44 0.00 0.00 0.00 0.00 46.02 43.68 2qln n GLY 164 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2qln n ILE 165 N 0.00 0.65 -1.61 -0.61 0.13 -0.00 -4.55 119.36 113.36 2qln n ILE 165 Ca 0.00 -0.16 -0.39 0.00 -1.10 0.00 0.00 62.75 61.10 2qln n ILE 165 Cb 0.00 -1.66 0.04 0.00 -0.84 0.00 0.00 39.64 37.18 2qln n ILE 165 CO 0.00 0.00 0.00 2.22 2.80 0.00 0.00 176.55 181.57 2qln n PHE 166 N 2.53 0.89 -2.58 9.51 1.16 -1.26 -4.53 117.46 123.18 2qln n PHE 166 Ca 0.13 0.47 -0.42 0.00 -1.87 0.00 0.00 57.45 55.76 2qln n PHE 166 Cb 0.32 -2.16 -0.03 0.00 -1.61 0.00 0.00 39.48 36.00 2qln n PHE 166 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 2qln s ASN 167 N -1.07 7.28 -0.23 5.98 0.01 -0.21 -4.89 114.94 121.80 2qln s ASN 167 Ca 0.71 1.90 -0.15 0.00 -0.71 0.00 0.00 52.86 54.61 2qln s ASN 167 Cb -0.46 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 38.58 2qln s ASN 167 CO 0.51 -0.28 0.36 -1.58 -1.51 0.00 0.00 177.10 174.60 2qln s GLN 168 N 0.51 4.12 -0.03 -0.60 0.74 -1.26 -1.60 119.66 121.53 2qln s GLN 168 Ca 0.53 0.10 0.03 0.00 0.05 0.00 0.00 55.36 56.06 2qln s GLN 168 Cb -0.26 -3.57 -0.03 0.00 1.10 0.00 0.00 33.01 30.25 2qln s GLN 168 CO 0.30 -0.09 -0.12 0.15 -0.55 0.00 0.00 175.29 174.98 2qln s LYS 169 N 1.49 2.51 -0.33 1.67 -0.14 -0.41 -3.93 119.74 120.60 2qln s LYS 169 Ca 0.16 -0.70 -0.10 0.00 -1.36 0.00 0.00 55.97 53.97 2qln s LYS 169 Cb -0.15 -2.42 0.00 0.00 -1.68 0.00 0.00 37.83 33.59 2qln s LYS 169 CO 0.08 0.62 0.17 0.42 -0.76 0.00 0.00 175.35 175.87 2qln s ILE 170 N -0.81 4.60 -0.18 2.17 -1.09 -1.26 0.83 121.20 125.46 2qln s ILE 170 Ca 0.13 -0.53 0.01 0.00 -2.23 0.00 0.00 60.65 58.03 2qln s ILE 170 Cb -0.11 -3.40 0.03 0.00 -1.58 0.00 0.00 42.46 37.40 2qln s ILE 170 CO 0.02 -0.01 -0.17 0.00 -1.23 0.00 0.00 174.94 173.56 2qln n GLY 172 N 4.65 -0.31 2.43 0.00 0.00 -1.26 -1.05 105.19 109.65 2qln n GLY 172 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2qln n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qln n GLY 173 N -0.97 1.25 3.80 -0.02 0.00 -1.26 -5.04 105.19 102.94 2qln n GLY 173 Ca -0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 2qln n GLY 173 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2qln s TRP 174 N -3.44 3.38 0.13 1.61 0.52 -0.22 -3.70 118.94 117.23 2qln s TRP 174 Ca 0.00 0.33 -0.31 0.00 0.02 0.00 0.00 56.10 56.13 2qln s TRP 174 Cb 0.00 -1.83 -0.09 0.00 -1.15 0.00 0.00 33.47 30.40 2qln s TRP 174 CO 0.00 0.60 1.46 -1.14 0.02 0.00 0.00 176.95 177.90 2qln s GLN 175 N -1.28 4.28 0.05 4.98 0.74 -1.26 -0.17 119.66 126.99 2qln s GLN 175 Ca 0.18 2.19 0.08 0.00 0.05 0.00 0.00 55.36 57.86 2qln s GLN 175 Cb -0.12 -3.23 -0.03 0.00 1.10 0.00 0.00 33.01 30.73 2qln s GLN 175 CO 0.08 -0.51 -0.22 -1.64 -0.55 0.00 0.00 175.29 172.45 2qln s MET 176 N 1.18 1.91 -0.12 1.67 -1.94 0.24 -4.91 119.30 117.33 2qln s MET 176 Ca 0.67 -1.06 -0.03 0.00 -1.71 0.00 0.00 55.69 53.55 2qln s MET 176 Cb -0.39 -2.08 -0.03 0.00 2.01 0.00 0.00 34.83 34.33 2qln s MET 176 CO 0.31 0.52 0.00 -1.21 -0.01 0.00 0.00 175.02 174.63 2qln s GLU 177 N -1.40 3.38 0.04 2.03 8.01 -1.26 -1.29 118.70 128.21 2qln s GLU 177 Ca 0.13 -0.42 0.04 0.00 0.01 0.00 0.00 54.97 54.73 2qln s GLU 177 Cb -0.10 -2.91 -0.02 0.00 -4.31 0.00 0.00 34.13 26.78 2qln s GLU 177 CO 0.04 0.49 -0.13 -1.83 0.01 0.00 0.00 175.26 173.84 2qln s GLU 178 N -0.28 0.84 0.25 1.61 -1.05 -0.63 -4.99 118.70 114.45 2qln s GLU 178 Ca 0.06 -0.76 -0.31 0.00 -0.15 0.00 0.00 54.97 53.82 2qln s GLU 178 Cb -0.12 -0.82 -0.13 0.00 -0.44 0.00 0.00 34.13 32.61 2qln s GLU 178 CO 0.02 0.20 1.44 0.00 0.95 0.00 0.00 175.26 177.87 2qln n ALA 179 N 1.82 1.40 -3.02 -0.84 0.00 -1.26 -1.05 120.51 117.55 2qln n ALA 179 Ca -0.19 0.40 -0.45 0.00 0.00 0.00 0.00 53.44 53.21 2qln n ALA 179 Cb 0.55 -2.31 -0.02 0.00 0.00 0.00 0.00 19.45 17.66 2qln n ALA 179 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2qln s ASP 180 N 0.33 6.66 -1.41 0.00 3.68 -1.26 -4.66 116.67 120.00 2qln s ASP 180 Ca 0.67 -2.19 -0.08 0.00 2.13 0.00 0.00 52.55 53.08 2qln s ASP 180 Cb -0.62 -2.36 0.06 0.00 -1.45 0.00 0.00 42.92 38.56 2qln s ASP 180 CO 0.49 -0.95 2.44 -0.67 0.13 0.00 0.00 175.17 176.62 2qln n ASP 181 N 5.96 7.37 0.20 -0.34 2.03 -1.26 -3.41 116.55 127.09 2qln n ASP 181 Ca 0.22 -2.95 0.14 0.00 0.52 0.00 0.00 54.79 52.72 2qln n ASP 181 Cb 0.49 -1.46 0.62 0.00 -0.72 0.00 0.00 41.12 40.04 2qln n ASP 181 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 2qln h TRP 182 N 5.03 0.00 -0.17 -0.67 5.08 -1.92 -2.59 115.95 120.71 2qln h TRP 182 Ca 0.69 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.66 2qln h TRP 182 Cb 0.38 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.54 2qln h TRP 182 CO 1.61 0.00 0.00 1.28 -1.28 0.00 0.00 178.44 180.05 2qln n LEU 183 N -2.58 2.54 -0.22 0.11 4.77 -1.26 -4.63 117.00 115.74 2qln n LEU 183 Ca 0.01 -0.98 -0.00 0.00 -0.03 0.00 0.00 56.01 55.00 2qln n LEU 183 Cb 0.22 -0.10 0.07 0.00 -2.33 0.00 0.00 43.42 41.28 2qln n LEU 183 CO 0.21 0.49 0.74 -0.09 -1.33 0.00 0.00 177.39 177.42 2qln h ARG 184 N 3.59 0.01 -0.09 3.23 2.43 -1.85 -0.58 114.38 121.12 2qln h ARG 184 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2qln h ARG 184 Cb 0.78 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 2qln h ARG 184 CO 0.00 0.01 0.00 0.66 -1.51 0.00 0.00 179.97 179.13 2qln n TYR 185 N -5.42 0.09 0.00 2.20 4.01 -1.26 -5.06 117.16 111.72 2qln n TYR 185 Ca 0.08 -0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 2qln n TYR 185 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.37 2qln n TYR 185 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qln n GLY 186 N 1.24 1.16 2.98 2.72 0.00 -0.23 -4.99 105.19 108.09 2qln n GLY 186 Ca 0.17 -1.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.07 2qln n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2qln s ASN 187 N -0.87 4.25 0.29 1.61 2.47 -1.26 -4.89 114.94 116.55 2qln s ASN 187 Ca 0.00 -1.50 0.25 0.00 0.42 0.00 0.00 52.86 52.03 2qln s ASN 187 Cb 0.00 -1.37 0.98 0.00 -1.45 0.00 0.00 41.25 39.41 2qln s ASN 187 CO 0.00 -0.27 1.75 1.55 -3.72 0.00 0.00 177.10 176.41 2qln h PRO 188 N 7.83 0.00 0.00 0.43 0.13 -1.99 -3.24 132.00 135.16 2qln h PRO 188 Ca -0.15 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.82 2qln h PRO 188 Cb 1.05 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.15 2qln h PRO 188 CO 0.46 0.00 -1.12 -1.49 -0.23 0.00 0.00 178.00 175.62 2qln h TRP 189 N 0.00 0.00 -3.59 1.56 4.06 -1.96 -3.47 115.95 112.56 2qln h TRP 189 Ca 0.00 0.00 -0.51 0.00 2.06 0.00 0.00 58.89 60.44 2qln h TRP 189 Cb 0.46 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.59 2qln h TRP 189 CO 0.00 0.60 0.01 -1.83 -3.56 0.00 0.00 178.44 173.66 2qln s GLU 190 N -2.91 3.95 -0.18 0.49 -1.05 -1.23 -4.30 118.70 113.48 2qln s GLU 190 Ca -0.01 0.53 0.01 0.00 -0.15 0.00 0.00 54.97 55.35 2qln s GLU 190 Cb 0.08 -2.57 0.03 0.00 -0.44 0.00 0.00 34.13 31.23 2qln s GLU 190 CO 0.79 0.25 -0.13 0.21 0.95 0.00 0.00 175.26 177.33 2qln s LYS 191 N -2.78 2.27 0.27 -4.83 2.47 0.30 -4.96 119.74 112.48 2qln s LYS 191 Ca 0.50 -0.74 -0.30 0.00 -1.56 0.00 0.00 55.97 53.87 2qln s LYS 191 Cb -0.11 -2.33 -0.10 0.00 -1.46 0.00 0.00 37.83 33.83 2qln s LYS 191 CO 0.19 -0.33 1.41 0.00 0.16 0.00 0.00 175.35 176.78 2qln s ALA 192 N 1.41 3.59 -0.57 3.13 0.00 -1.26 -1.12 121.76 126.94 2qln s ALA 192 Ca 0.02 1.32 0.06 0.00 0.00 0.00 0.00 51.96 53.36 2qln s ALA 192 Cb -0.15 -3.54 0.31 0.00 0.00 0.00 0.00 23.12 19.74 2qln s ALA 192 CO -0.10 -0.74 0.85 0.54 0.00 0.00 0.00 175.76 176.32 2qln n ARG 193 N 1.87 2.71 0.21 0.00 5.12 -0.10 -4.93 116.66 121.53 2qln n ARG 193 Ca 0.05 -4.60 0.14 0.00 -1.93 0.00 0.00 57.85 51.51 2qln n ARG 193 Cb 0.41 -2.15 0.74 0.00 -1.16 0.00 0.00 32.46 30.30 2qln n ARG 193 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 2qln h PRO 194 N 3.39 0.00 0.00 5.56 0.13 -1.94 0.00 132.00 139.14 2qln h PRO 194 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2qln h PRO 194 Cb 0.61 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 2qln h PRO 194 CO 0.78 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.60 2qln h GLU 195 N 0.00 0.00 -0.59 0.86 9.09 -1.95 -3.10 114.58 118.89 2qln h GLU 195 Ca 0.00 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.29 2qln h GLU 195 Cb 0.05 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 27.07 2qln h GLU 195 CO 0.00 0.00 0.13 1.19 0.05 0.00 0.00 179.01 180.38 2qln n PHE 196 N -2.51 2.00 -2.11 2.06 3.72 -0.01 -5.01 117.46 115.61 2qln n PHE 196 Ca 0.04 -1.06 -0.41 0.00 -0.05 0.00 0.00 57.45 55.97 2qln n PHE 196 Cb 0.38 -0.57 -0.02 0.00 -0.94 0.00 0.00 39.48 38.33 2qln n PHE 196 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2qln s THR 197 N -2.93 2.78 0.02 4.37 2.01 -1.18 -4.66 115.64 116.06 2qln s THR 197 Ca 0.52 0.73 0.05 0.00 0.31 0.00 0.00 61.69 63.30 2qln s THR 197 Cb 0.42 -3.46 -0.02 0.00 0.01 0.00 0.00 72.50 69.44 2qln s THR 197 CO 0.12 0.15 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.28 2qln s LEU 198 N -1.13 2.12 0.18 4.42 1.02 -0.34 -4.94 118.68 120.02 2qln s LEU 198 Ca 0.53 -0.42 -0.25 0.00 0.02 0.00 0.00 54.13 54.01 2qln s LEU 198 Cb -0.40 -0.77 -0.08 0.00 0.02 0.00 0.00 46.19 44.96 2qln s LEU 198 CO 0.48 0.12 0.79 -2.16 0.02 0.00 0.00 176.35 175.60 2qln s PRO 199 N -0.89 4.57 -0.05 1.29 0.04 -1.26 0.60 135.00 139.30 2qln s PRO 199 Ca 0.05 1.17 0.06 0.00 0.04 0.00 0.00 61.00 62.31 2qln s PRO 199 Cb -0.07 -3.22 -0.01 0.00 0.04 0.00 0.00 34.50 31.23 2qln s PRO 199 CO 0.01 0.55 -0.22 0.08 0.04 0.00 0.00 177.00 177.46 2qln s VAL 200 N -1.19 1.81 -0.04 -0.36 1.01 0.95 -4.85 120.40 117.73 2qln s VAL 200 Ca 0.37 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 2qln s VAL 200 Cb -0.23 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 2qln s VAL 200 CO 0.26 0.51 0.03 -1.00 0.00 0.00 0.00 175.10 174.90 2qln s HIS 201 N -0.13 3.20 0.07 5.22 3.76 -1.26 -0.76 115.29 125.40 2qln s HIS 201 Ca -0.03 0.19 0.01 0.00 -0.15 0.00 0.00 55.06 55.09 2qln s HIS 201 Cb -0.12 -1.75 -0.04 0.00 1.11 0.00 0.00 32.58 31.78 2qln s HIS 201 CO 0.03 0.51 -0.06 -0.06 -0.85 0.00 0.00 174.74 174.30 2qln s PHE 202 N -1.03 0.76 0.00 1.40 0.40 0.20 -4.97 117.98 114.74 2qln s PHE 202 Ca 0.18 -0.81 0.00 0.00 -0.60 0.00 0.00 56.93 55.69 2qln s PHE 202 Cb -0.12 -0.46 0.00 0.00 0.51 0.00 0.00 43.02 42.96 2qln s PHE 202 CO 0.08 -0.17 0.00 0.66 0.70 0.00 0.00 175.22 176.49 2qln n TYR 203 N 0.43 0.00 -4.38 0.36 4.01 0.68 -0.93 117.16 117.33 2qln n TYR 203 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 2qln n TYR 203 Cb 0.59 0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.64 2qln n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qln n GLY 204 N 0.00 -0.32 3.47 2.72 0.00 -1.23 -4.56 105.19 105.28 2qln n GLY 204 Ca 0.00 -1.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 2qln n GLY 204 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qln s ARG 205 N 0.00 1.31 -0.20 1.61 1.70 -0.36 -4.87 118.95 118.15 2qln s ARG 205 Ca 0.00 -0.88 -0.08 0.00 -0.47 0.00 0.00 55.73 54.31 2qln s ARG 205 Cb 0.00 0.50 -0.04 0.00 -0.57 0.00 0.00 34.95 34.84 2qln s ARG 205 CO 0.00 -0.55 0.07 0.08 -1.08 0.00 0.00 175.30 173.83 2qln s VAL 206 N -3.87 4.75 -0.15 4.99 1.01 -1.26 -1.03 120.40 124.83 2qln s VAL 206 Ca 0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 2qln s VAL 206 Cb -0.00 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 2qln s VAL 206 CO -0.04 0.43 -0.05 -0.70 0.00 0.00 0.00 175.10 174.75 2qln s GLU 207 N 0.64 3.62 -0.38 2.72 2.12 0.75 -4.95 118.70 123.21 2qln s GLU 207 Ca 0.04 -0.53 -0.13 0.00 0.36 0.00 0.00 54.97 54.71 2qln s GLU 207 Cb -0.13 -2.88 0.01 0.00 0.26 0.00 0.00 34.13 31.39 2qln s GLU 207 CO 0.01 0.26 0.25 -1.01 -0.54 0.00 0.00 175.26 174.23 2qln s HIS 208 N 0.31 3.23 0.60 5.30 3.76 -1.26 0.18 115.29 127.40 2qln s HIS 208 Ca -0.04 -0.66 0.10 0.00 -0.15 0.00 0.00 55.06 54.30 2qln s HIS 208 Cb -0.14 -2.50 0.10 0.00 1.11 0.00 0.00 32.58 31.14 2qln s HIS 208 CO 0.03 -0.56 0.80 0.95 -0.85 0.00 0.00 174.74 175.11 2qln s THR 209 N 1.64 1.98 0.25 1.30 -4.23 -0.13 -5.00 115.64 111.44 2qln s THR 209 Ca 0.04 -1.03 -0.05 0.00 -1.18 0.00 0.00 61.69 59.46 2qln s THR 209 Cb -0.19 -2.01 0.24 0.00 1.34 0.00 0.00 72.50 71.88 2qln s THR 209 CO 0.09 0.00 1.90 0.28 -0.54 0.00 0.00 174.62 176.34 2qln h SER 210 N 0.15 1.04 -1.69 3.99 0.02 -2.03 -3.17 113.55 111.87 2qln h SER 210 Ca -0.29 -0.01 -0.68 0.00 -0.84 0.00 0.00 61.79 59.98 2qln h SER 210 Cb 1.29 -0.24 -0.34 0.00 0.14 0.00 0.00 62.40 63.25 2qln h SER 210 CO 0.41 0.72 0.18 1.67 -1.14 0.00 0.00 176.83 178.67 2qln n GLN 211 N -4.47 3.09 0.00 3.45 -0.06 -1.26 -5.05 117.38 113.07 2qln n GLN 211 Ca 0.12 -3.98 0.00 0.00 -2.00 0.00 0.00 57.00 51.15 2qln n GLN 211 Cb 0.08 -2.26 0.00 0.00 -4.06 0.00 0.00 30.24 24.00 2qln n GLN 211 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2qln n GLY 212 N -0.54 0.77 3.82 1.69 0.00 -1.20 -5.02 105.19 104.72 2qln n GLY 212 Ca 0.47 -2.16 -0.35 0.00 0.00 0.00 0.00 46.02 43.98 2qln n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qln s ALA 213 N -1.17 3.37 -0.05 4.61 0.00 -1.26 -0.96 121.76 126.30 2qln s ALA 213 Ca 0.00 0.17 0.02 0.00 0.00 0.00 0.00 51.96 52.15 2qln s ALA 213 Cb 0.00 -2.84 0.01 0.00 0.00 0.00 0.00 23.12 20.29 2qln s ALA 213 CO 0.00 0.31 -0.11 0.15 0.00 0.00 0.00 175.76 176.11 2qln s LYS 214 N -2.22 1.44 -0.38 0.00 1.02 0.13 -4.89 119.74 114.84 2qln s LYS 214 Ca 0.46 -0.38 -0.18 0.00 0.02 0.00 0.00 55.97 55.89 2qln s LYS 214 Cb -0.15 -1.24 0.01 0.00 -0.52 0.00 0.00 37.83 35.92 2qln s LYS 214 CO 0.20 0.07 0.50 -0.46 -0.92 0.00 0.00 175.35 174.74 2qln s TRP 215 N 0.49 3.16 0.30 3.18 -0.00 -1.26 -0.18 118.94 124.63 2qln s TRP 215 Ca -0.10 -0.04 0.05 0.00 -0.00 0.00 0.00 56.10 56.01 2qln s TRP 215 Cb -0.13 -2.97 -0.06 0.00 -0.00 0.00 0.00 33.47 30.31 2qln s TRP 215 CO 0.02 -0.63 0.01 0.14 -0.00 0.00 0.00 176.95 176.50 2qln s VAL 216 N 2.36 1.34 -1.43 5.86 -7.23 -0.20 -4.83 120.40 116.26 2qln s VAL 216 Ca 0.17 -2.04 -0.11 0.00 -1.81 0.00 0.00 61.98 58.19 2qln s VAL 216 Cb -0.16 -2.64 0.04 0.00 0.56 0.00 0.00 36.38 34.18 2qln s VAL 216 CO 0.14 -0.13 1.11 0.47 -0.31 0.00 0.00 175.10 176.38 2qln n ASP 217 N -0.63 -5.75 -4.90 4.85 8.00 -1.26 -1.22 116.55 115.64 2qln n ASP 217 Ca -0.04 -0.64 -0.28 0.00 0.71 0.00 0.00 54.79 54.54 2qln n ASP 217 Cb 0.65 -4.56 -0.01 0.00 -0.02 0.00 0.00 41.12 37.18 2qln n ASP 217 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2qln s THR 218 N -3.31 4.89 -0.06 -3.53 -4.23 -1.26 -3.55 115.64 104.59 2qln s THR 218 Ca 0.62 0.30 -0.14 0.00 -1.18 0.00 0.00 61.69 61.29 2qln s THR 218 Cb -0.29 -3.82 -0.05 0.00 1.34 0.00 0.00 72.50 69.68 2qln s THR 218 CO 0.77 -0.72 0.36 -1.10 -0.54 0.00 0.00 174.62 173.39 2qln s GLN 219 N -4.40 3.95 -0.16 3.99 -0.21 -0.11 -4.91 119.66 117.82 2qln s GLN 219 Ca 0.48 0.28 -0.04 0.00 0.02 0.00 0.00 55.36 56.10 2qln s GLN 219 Cb -0.10 -3.27 -0.03 0.00 1.00 0.00 0.00 33.01 30.60 2qln s GLN 219 CO 0.40 0.57 -0.01 0.08 -2.12 0.00 0.00 175.29 174.21 2qln s VAL 220 N -0.63 4.14 -0.06 1.09 1.01 -1.26 -0.62 120.40 124.07 2qln s VAL 220 Ca 0.21 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 61.97 2qln s VAL 220 Cb -0.15 -2.82 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 2qln s VAL 220 CO 0.10 0.50 -0.22 -0.69 0.00 0.00 0.00 175.10 174.79 2qln s VAL 221 N 0.25 2.36 0.18 2.92 1.01 0.06 -4.55 120.40 122.64 2qln s VAL 221 Ca -0.01 -0.96 -0.22 0.00 0.00 0.00 0.00 61.98 60.79 2qln s VAL 221 Cb -0.13 -1.88 -0.08 0.00 0.00 0.00 0.00 36.38 34.28 2qln s VAL 221 CO 0.02 0.57 0.73 -0.76 0.00 0.00 0.00 175.10 175.66 2qln s LEU 222 N -0.27 4.48 -0.31 3.92 1.43 0.77 -0.03 118.68 128.67 2qln s LEU 222 Ca 0.00 1.51 -0.05 0.00 -1.03 0.00 0.00 54.13 54.56 2qln s LEU 222 Cb -0.13 -3.36 0.03 0.00 0.03 0.00 0.00 46.19 42.76 2qln s LEU 222 CO 0.03 0.15 0.05 0.00 0.23 0.00 0.00 176.35 176.81 2qln s ALA 223 N -1.29 2.95 -0.24 4.21 0.00 0.20 -0.72 121.76 126.87 2qln s ALA 223 Ca 0.38 -1.63 -0.09 0.00 0.00 0.00 0.00 51.96 50.62 2qln s ALA 223 Cb -0.20 -2.09 -0.04 0.00 0.00 0.00 0.00 23.12 20.79 2qln s ALA 223 CO 0.23 -1.15 0.11 1.41 0.00 0.00 0.00 175.76 176.36 2qln s MET 224 N 1.39 3.86 0.25 0.00 1.75 0.44 -1.20 119.30 125.80 2qln s MET 224 Ca -0.01 -0.38 -0.22 0.00 -1.25 0.00 0.00 55.69 53.83 2qln s MET 224 Cb -0.19 -3.41 -0.09 0.00 2.84 0.00 0.00 34.83 33.99 2qln s MET 224 CO 0.01 -0.04 0.79 -1.25 -0.65 0.00 0.00 175.02 173.89 2qln s PRO 225 N 1.26 4.36 -0.14 4.11 0.04 -1.26 -0.16 135.00 143.21 2qln s PRO 225 Ca 0.06 1.02 0.02 0.00 0.04 0.00 0.00 61.00 62.13 2qln s PRO 225 Cb -0.14 -2.85 0.01 0.00 0.04 0.00 0.00 34.50 31.56 2qln s PRO 225 CO 0.05 0.36 -0.18 0.71 0.04 0.00 0.00 177.00 177.97 2qln s TYR 226 N -1.55 2.37 -0.16 0.56 1.51 0.19 -0.93 117.35 119.34 2qln s TYR 226 Ca 0.45 -1.22 -0.11 0.00 -1.01 0.00 0.00 57.07 55.18 2qln s TYR 226 Cb -0.17 -1.66 -0.05 0.00 -0.11 0.00 0.00 41.96 39.97 2qln s TYR 226 CO 0.22 -0.60 0.20 -0.51 -1.11 0.00 0.00 175.55 173.75 2qln s ASP 227 N 1.04 6.34 -0.09 2.29 -0.00 -0.27 -1.06 116.67 124.92 2qln s ASP 227 Ca -0.04 0.40 0.04 0.00 -0.00 0.00 0.00 52.55 52.95 2qln s ASP 227 Cb -0.15 -2.12 -0.01 0.00 -0.00 0.00 0.00 42.92 40.64 2qln s ASP 227 CO -0.05 0.20 -0.22 -0.89 -0.00 0.00 0.00 175.17 174.21 2qln s THR 228 N 0.09 2.24 0.24 -1.27 2.01 0.19 -0.54 115.64 118.60 2qln s THR 228 Ca 0.13 -0.97 -0.30 0.00 0.31 0.00 0.00 61.69 60.86 2qln s THR 228 Cb -0.12 -1.85 -0.09 0.00 0.01 0.00 0.00 72.50 70.45 2qln s THR 228 CO 0.02 0.56 1.20 -2.16 -0.69 0.00 0.00 174.62 173.54 2qln s PRO 229 N 0.09 4.50 -0.39 4.92 0.04 -1.26 -0.85 135.00 142.06 2qln s PRO 229 Ca -0.10 1.93 0.04 0.00 0.04 0.00 0.00 61.00 62.90 2qln s PRO 229 Cb -0.16 -3.19 0.11 0.00 0.04 0.00 0.00 34.50 31.30 2qln s PRO 229 CO 0.06 -0.03 0.11 0.08 0.04 0.00 0.00 177.00 177.26 2qln s VAL 230 N -0.56 2.40 0.17 -0.36 1.01 0.11 -4.88 120.40 118.29 2qln s VAL 230 Ca 0.50 -2.56 -0.30 0.00 0.00 0.00 0.00 61.98 59.62 2qln s VAL 230 Cb -0.34 -2.74 -0.07 0.00 0.00 0.00 0.00 36.38 33.22 2qln s VAL 230 CO 0.41 -0.65 1.00 -2.16 0.00 0.00 0.00 175.10 173.70 2qln s PRO 231 N 0.63 4.71 0.74 2.72 0.04 -1.26 -0.55 135.00 142.02 2qln s PRO 231 Ca 0.12 1.55 -0.11 0.00 0.04 0.00 0.00 61.00 62.61 2qln s PRO 231 Cb -0.21 -3.31 0.03 0.00 0.04 0.00 0.00 34.50 31.05 2qln s PRO 231 CO -0.06 0.26 1.08 0.20 0.04 0.00 0.00 177.00 178.52 2qln s GLY 232 N -0.40 1.64 -0.59 0.56 0.00 0.98 -4.76 107.32 104.76 2qln s GLY 232 Ca 0.46 -0.12 -0.27 0.00 0.00 0.00 0.00 44.72 44.79 2qln s GLY 232 CO 0.32 0.25 1.63 -0.47 0.00 0.00 0.00 173.10 174.83 2qln s TYR 233 N -3.15 1.96 -1.06 1.90 6.14 -1.26 -4.13 117.35 117.75 2qln s TYR 233 Ca 0.59 0.54 -0.08 0.00 0.64 0.00 0.00 57.07 58.76 2qln s TYR 233 Cb -0.13 -4.27 0.06 0.00 0.42 0.00 0.00 41.96 38.04 2qln s TYR 233 CO 0.54 -2.23 0.32 0.54 0.64 0.00 0.00 175.55 175.36 2qln n ARG 234 N 8.99 -2.82 -0.05 4.97 1.74 0.13 -4.80 116.66 124.83 2qln n ARG 234 Ca 0.15 0.36 0.03 0.00 -0.77 0.00 0.00 57.85 57.63 2qln n ARG 234 Cb 0.50 -5.00 0.06 0.00 -1.02 0.00 0.00 32.46 27.00 2qln n ARG 234 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2qln n ASN 235 N -2.07 1.99 -0.55 0.55 2.04 -1.26 -4.97 115.26 110.99 2qln n ASN 235 Ca -0.02 -1.59 -0.07 0.00 -0.44 0.00 0.00 54.58 52.46 2qln n ASN 235 Cb 0.53 -0.06 -0.03 0.00 -2.53 0.00 0.00 39.78 37.69 2qln n ASN 235 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 2qln n ASN 236 N 0.28 -5.16 -4.75 0.53 3.02 -1.26 -1.34 115.26 106.58 2qln n ASN 236 Ca 0.05 0.18 -0.39 0.00 -0.03 0.00 0.00 54.58 54.40 2qln n ASN 236 Cb 0.25 -3.29 -0.06 0.00 -0.61 0.00 0.00 39.78 36.07 2qln n ASN 236 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2qln s VAL 237 N -1.84 5.02 -0.22 2.41 1.01 -1.26 -4.79 120.40 120.73 2qln s VAL 237 Ca 0.00 1.15 -0.02 0.00 0.00 0.00 0.00 61.98 63.11 2qln s VAL 237 Cb 0.00 -3.89 0.07 0.00 0.00 0.00 0.00 36.38 32.55 2qln s VAL 237 CO 0.00 0.38 0.04 -0.69 0.00 0.00 0.00 175.10 174.83 2qln s VAL 238 N 0.11 0.66 0.74 2.92 1.01 -1.26 -0.01 120.40 124.57 2qln s VAL 238 Ca 0.30 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.49 2qln s VAL 238 Cb -0.17 -1.21 0.15 0.00 0.00 0.00 0.00 36.38 35.16 2qln s VAL 238 CO 0.15 -0.29 1.02 0.59 0.00 0.00 0.00 175.10 176.57 2qln n ASN 239 N 4.99 1.12 -4.19 3.32 3.02 0.28 -4.68 115.26 119.13 2qln n ASN 239 Ca -0.08 -2.00 -0.29 0.00 -0.03 0.00 0.00 54.58 52.17 2qln n ASN 239 Cb 0.46 -0.68 -0.17 0.00 -0.61 0.00 0.00 39.78 38.78 2qln n ASN 239 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2qln s THR 240 N -3.12 1.77 -0.28 3.41 2.01 -1.26 0.06 115.64 118.24 2qln s THR 240 Ca 0.66 -0.88 -0.08 0.00 0.31 0.00 0.00 61.69 61.69 2qln s THR 240 Cb -0.03 -1.53 -0.01 0.00 0.01 0.00 0.00 72.50 70.93 2qln s THR 240 CO 0.44 0.50 0.10 -0.32 -0.69 0.00 0.00 174.62 174.65 2qln s MET 241 N 0.15 3.44 -0.29 4.92 1.75 -0.03 -2.16 119.30 127.07 2qln s MET 241 Ca -0.10 -0.63 -0.08 0.00 -1.25 0.00 0.00 55.69 53.63 2qln s MET 241 Cb -0.15 -3.43 -0.00 0.00 2.84 0.00 0.00 34.83 34.09 2qln s MET 241 CO 0.05 -0.32 0.10 0.50 -0.65 0.00 0.00 175.02 174.70 2qln s ARG 242 N 1.60 3.23 -0.14 4.11 3.52 0.10 -0.64 118.95 130.73 2qln s ARG 242 Ca 0.05 -0.77 -0.01 0.00 -0.13 0.00 0.00 55.73 54.87 2qln s ARG 242 Cb -0.16 -3.42 -0.02 0.00 -1.56 0.00 0.00 34.95 29.80 2qln s ARG 242 CO 0.05 -0.40 -0.11 -0.51 -0.81 0.00 0.00 175.30 173.52 2qln s LEU 243 N 1.55 2.82 0.00 -0.88 1.43 -0.23 -2.31 118.68 121.06 2qln s LEU 243 Ca 0.04 -0.30 -0.22 0.00 -1.03 0.00 0.00 54.13 52.62 2qln s LEU 243 Cb -0.17 -1.65 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 2qln s LEU 243 CO 0.04 0.15 0.64 0.26 0.23 0.00 0.00 176.35 177.66 2qln s TRP 244 N 0.48 3.69 -0.06 0.29 0.52 -0.44 -0.63 118.94 122.79 2qln s TRP 244 Ca -0.08 1.27 0.03 0.00 0.02 0.00 0.00 56.10 57.34 2qln s TRP 244 Cb -0.15 -2.67 -0.03 0.00 -1.15 0.00 0.00 33.47 29.47 2qln s TRP 244 CO 0.04 0.31 -0.14 0.45 0.02 0.00 0.00 176.95 177.63 2qln s SER 245 N -0.07 4.04 -0.01 2.95 0.15 0.77 -1.34 113.70 120.19 2qln s SER 245 Ca 0.33 -0.20 -0.25 0.00 0.70 0.00 0.00 55.95 56.53 2qln s SER 245 Cb -0.19 -0.92 -0.04 0.00 -1.71 0.00 0.00 66.02 63.16 2qln s SER 245 CO 0.19 0.33 0.75 0.00 1.20 0.00 0.00 173.24 175.71 2qln s ALA 246 N -0.64 3.34 -0.02 5.45 0.00 -1.26 -0.42 121.76 128.20 2qln s ALA 246 Ca 0.10 0.23 0.02 0.00 0.00 0.00 0.00 51.96 52.31 2qln s ALA 246 Cb -0.11 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 20.01 2qln s ALA 246 CO 0.01 -0.04 -0.07 0.15 0.00 0.00 0.00 175.76 175.81 2qln s LYS 247 N 0.44 0.71 0.26 0.00 -0.14 0.10 -4.62 119.74 116.49 2qln s LYS 247 Ca 0.39 -0.22 -0.29 0.00 -1.36 0.00 0.00 55.97 54.48 2qln s LYS 247 Cb -0.19 -0.69 -0.09 0.00 -1.68 0.00 0.00 37.83 35.18 2qln s LYS 247 CO 0.21 0.09 1.12 0.00 -0.76 0.00 0.00 175.35 176.00 2qln s ALA 248 N 0.18 3.41 0.75 5.17 0.00 -1.26 -0.17 121.76 129.84 2qln s ALA 248 Ca -0.02 0.91 -0.13 0.00 0.00 0.00 0.00 51.96 52.72 2qln s ALA 248 Cb -0.07 -3.34 0.05 0.00 0.00 0.00 0.00 23.12 19.76 2qln s ALA 248 CO -0.00 -0.20 1.13 -1.25 0.00 0.00 0.00 175.76 175.44 2qln s PRO 249 N -1.26 2.23 0.52 0.00 0.04 -1.26 -4.86 135.00 130.40 2qln s PRO 249 Ca 0.46 1.41 0.33 0.00 0.04 0.00 0.00 61.00 63.24 2qln s PRO 249 Cb -0.32 -1.88 1.34 0.00 0.04 0.00 0.00 34.50 33.68 2qln s PRO 249 CO 0.41 -1.70 1.96 -0.91 0.04 0.00 0.00 177.00 176.79 2qln h ASN 250 N -0.69 0.00 -0.47 6.66 4.21 -2.00 -1.90 115.58 121.40 2qln h ASN 250 Ca -0.45 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.06 2qln h ASN 250 Cb 1.25 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.45 2qln h ASN 250 CO 0.50 0.00 0.00 -0.90 -1.29 0.00 0.00 177.43 175.74 2qln n ASP 251 N -2.98 4.09 -4.69 5.81 5.68 -1.26 -4.88 116.55 118.31 2qln n ASP 251 Ca 0.01 -2.49 -0.42 0.00 -0.50 0.00 0.00 54.79 51.39 2qln n ASP 251 Cb 0.29 -0.56 -0.03 0.00 -1.14 0.00 0.00 41.12 39.68 2qln n ASP 251 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 2qln s PHE 252 N -2.01 2.09 0.00 2.11 5.36 -0.72 -0.90 117.98 123.92 2qln s PHE 252 Ca 0.40 -0.05 0.00 0.00 -0.96 0.00 0.00 56.93 56.32 2qln s PHE 252 Cb 0.28 -4.18 0.00 0.00 -0.34 0.00 0.00 43.02 38.77 2qln s PHE 252 CO 0.16 -4.91 0.00 0.09 -1.46 0.00 0.00 175.22 169.10 2qln n ASN 253 N 5.79 0.00 -4.28 6.13 4.13 -1.26 -4.77 115.26 120.99 2qln n ASN 253 Ca 0.18 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 56.10 2qln n ASN 253 Cb 0.38 -2.17 -0.15 0.00 -1.54 0.00 0.00 39.78 36.31 2qln n ASN 253 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2qln s LEU 254 N 0.00 2.64 0.00 3.41 1.43 -0.08 -4.92 118.68 121.16 2qln s LEU 254 Ca 0.00 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 2qln s LEU 254 Cb 0.00 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.59 2qln s LEU 254 CO 0.00 0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.23 2qln n GLY 261 N 4.34 0.00 0.15 -3.19 0.00 -1.26 -5.03 105.19 100.20 2qln n GLY 261 Ca -0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 2qln n GLY 261 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2qln h TYR 262 N 0.00 0.43 -0.12 1.61 3.20 -1.99 -1.97 116.97 118.12 2qln h TYR 262 Ca 0.00 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.88 2qln h TYR 262 Cb 0.00 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 2qln h TYR 262 CO 0.00 0.33 0.01 0.82 -1.64 0.00 0.00 178.16 177.68 2qln h ILE 263 N 0.40 0.93 -0.85 1.81 1.08 -2.04 -2.44 117.51 116.41 2qln h ILE 263 Ca 0.11 -0.02 -0.02 0.00 -0.39 0.00 0.00 64.86 64.54 2qln h ILE 263 Cb 0.04 0.87 -0.04 0.00 -3.07 0.00 0.00 36.82 34.62 2qln h ILE 263 CO -0.02 0.01 0.45 -0.61 -0.69 0.00 0.00 178.15 177.29 2qln h GLN 264 N 0.06 1.20 -0.76 2.37 5.75 -1.98 -1.20 115.11 120.55 2qln h GLN 264 Ca 0.05 -0.15 0.04 0.00 -0.15 0.00 0.00 58.65 58.44 2qln h GLN 264 Cb 0.05 -0.23 -0.05 0.00 1.07 0.00 0.00 27.48 28.32 2qln h GLN 264 CO -0.08 0.89 0.47 0.00 -2.65 0.00 0.00 178.83 177.46 2qln h ALA 265 N 1.30 1.01 -0.43 3.38 0.00 -1.11 0.11 119.26 123.51 2qln h ALA 265 Ca 0.30 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 2qln h ALA 265 Cb 0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2qln h ALA 265 CO -0.05 0.25 0.01 0.28 0.00 0.00 0.00 179.25 179.74 2qln h VAL 266 N 0.91 1.26 -0.11 0.00 2.07 -0.96 -3.05 116.25 116.37 2qln h VAL 266 Ca 0.31 -1.02 -0.06 0.00 0.82 0.00 0.00 66.70 66.76 2qln h VAL 266 Cb 0.06 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2qln h VAL 266 CO -0.13 0.35 -0.19 -0.07 0.02 0.00 0.00 177.57 177.55 2qln h LEU 267 N 0.59 0.17 -0.06 2.57 3.38 -0.71 -2.80 115.31 118.45 2qln h LEU 267 Ca 0.12 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2qln h LEU 267 Cb 0.48 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2qln h LEU 267 CO 0.02 0.38 0.00 0.47 0.09 0.00 0.00 178.44 179.40 2qln n ASP 268 N -4.24 0.07 0.21 -0.43 8.00 0.33 -2.63 116.55 117.86 2qln n ASP 268 Ca -0.01 0.52 0.16 0.00 0.71 0.00 0.00 54.79 56.16 2qln n ASP 268 Cb 0.30 -0.53 0.80 0.00 -0.02 0.00 0.00 41.12 41.67 2qln n ASP 268 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2qln h ARG 269 N 0.00 0.00 -0.95 -1.24 3.08 -1.53 -2.00 114.38 111.73 2qln h ARG 269 Ca 0.00 0.00 0.17 0.00 0.07 0.00 0.00 59.98 60.22 2qln h ARG 269 Cb 0.29 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.25 2qln h ARG 269 CO 0.00 0.00 0.60 -0.91 -1.07 0.00 0.00 179.97 178.59 2qln h ASN 270 N 0.00 0.70 -0.60 7.04 -0.26 -1.74 -2.67 115.58 118.05 2qln h ASN 270 Ca 0.07 0.06 0.06 0.00 -0.56 0.00 0.00 56.30 55.93 2qln h ASN 270 Cb 0.38 -0.07 -0.05 0.00 -1.06 0.00 0.00 38.32 37.51 2qln h ASN 270 CO -0.00 0.31 0.32 -0.07 -1.06 0.00 0.00 177.43 176.93 2qln h LEU 271 N 0.72 0.46 -0.66 1.61 4.07 -1.61 0.65 115.31 120.55 2qln h LEU 271 Ca 0.50 0.03 -0.10 0.00 0.08 0.00 0.00 57.88 58.40 2qln h LEU 271 Cb 0.82 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.48 2qln h LEU 271 CO -0.27 0.30 -0.03 0.00 -1.08 0.00 0.00 178.44 177.36 2qln h ALA 272 N 1.32 0.87 0.00 1.53 0.00 -1.65 -3.14 119.26 118.19 2qln h ALA 272 Ca 0.27 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2qln h ALA 272 Cb 0.18 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2qln h ALA 272 CO -0.18 0.66 -0.11 0.39 0.00 0.00 0.00 179.25 180.00 2qln n GLU 273 N -4.17 0.08 0.33 0.00 1.02 -0.79 -3.18 120.64 113.93 2qln n GLU 273 Ca 0.02 0.05 0.22 0.00 -0.02 0.00 0.00 57.16 57.43 2qln n GLU 273 Cb 0.36 -1.58 1.13 0.00 -0.02 0.00 0.00 31.44 31.32 2qln n GLU 273 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2qln h ASN 274 N 0.00 0.00 -0.65 1.62 2.35 -0.84 -3.13 115.58 114.93 2qln h ASN 274 Ca 0.00 0.00 0.10 0.00 -0.55 0.00 0.00 56.30 55.85 2qln h ASN 274 Cb 0.57 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.87 2qln h ASN 274 CO 0.00 0.00 0.27 0.40 -1.65 0.00 0.00 177.43 176.46 2qln h ILE 275 N 0.00 0.78 -0.58 2.81 2.04 -1.74 -2.30 117.51 118.52 2qln h ILE 275 Ca -0.00 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.70 2qln h ILE 275 Cb 0.08 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 2qln h ILE 275 CO 0.00 0.09 0.00 -1.54 0.00 0.00 0.00 178.15 176.70 2qln n SER 276 N -4.96 5.53 -0.03 1.72 3.41 -1.18 -4.63 113.62 113.48 2qln n SER 276 Ca 0.10 -2.85 -0.15 0.00 -0.26 0.00 0.00 58.87 55.70 2qln n SER 276 Cb 0.29 -0.66 -0.09 0.00 -0.26 0.00 0.00 64.21 63.49 2qln n SER 276 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2qln h ARG 277 N 3.95 0.43 -3.11 4.33 9.65 -1.52 -2.20 114.38 125.92 2qln h ARG 277 Ca 0.00 -0.35 -0.16 0.00 -1.10 0.00 0.00 59.98 58.38 2qln h ARG 277 Cb 1.88 0.07 -0.25 0.00 -1.39 0.00 0.00 29.97 30.28 2qln h ARG 277 CO 0.44 0.98 -0.40 0.54 2.80 0.00 0.00 179.97 184.33 2qln s VAL 278 N -3.67 0.01 0.05 0.20 0.11 -1.26 -0.66 120.40 115.18 2qln s VAL 278 Ca -0.13 -0.06 -0.31 0.00 -2.93 0.00 0.00 61.98 58.55 2qln s VAL 278 Cb 0.05 -0.39 -0.05 0.00 -1.53 0.00 0.00 36.38 34.45 2qln s VAL 278 CO 0.80 -0.03 1.18 -0.22 -3.33 0.00 0.00 175.10 173.50 2qln s LEU 279 N -0.02 4.37 -0.07 2.54 2.96 -0.78 -4.99 118.68 122.69 2qln s LEU 279 Ca -0.02 1.98 -0.30 0.00 -0.22 0.00 0.00 54.13 55.58 2qln s LEU 279 Cb -0.02 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.04 2qln s LEU 279 CO 0.01 -0.45 1.62 -0.31 -1.32 0.00 0.00 176.35 175.89 2qln s TYR 280 N 1.07 2.06 -2.11 5.38 1.51 -1.26 -4.84 117.35 119.16 2qln s TYR 280 Ca 0.58 0.27 0.17 0.00 -1.01 0.00 0.00 57.07 57.08 2qln s TYR 280 Cb -0.29 -3.88 0.49 0.00 -0.11 0.00 0.00 41.96 38.18 2qln s TYR 280 CO 0.29 -3.64 1.40 -0.35 -1.11 0.00 0.00 175.55 172.14 2qln n PRO 281 N 7.08 2.08 -2.90 -1.71 -0.04 -1.26 -4.79 135.00 133.46 2qln n PRO 281 Ca 0.17 -1.67 -0.44 0.00 -0.04 0.00 0.00 63.50 61.52 2qln n PRO 281 Cb 0.43 -1.39 -0.02 0.00 -0.04 0.00 0.00 33.50 32.48 2qln n PRO 281 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2qln s ASN 282 N -1.17 6.78 -0.01 3.54 4.22 -1.26 -4.49 114.94 122.55 2qln s ASN 282 Ca 0.33 -2.34 0.12 0.00 -2.14 0.00 0.00 52.86 48.83 2qln s ASN 282 Cb 0.18 -2.42 0.36 0.00 1.28 0.00 0.00 41.25 40.65 2qln s ASN 282 CO 0.24 -0.99 1.28 -0.90 -2.04 0.00 0.00 177.10 174.69 2qln n ASP 283 N 6.46 2.26 -0.04 3.54 5.75 -1.26 -4.28 116.55 128.98 2qln n ASP 283 Ca 0.30 -2.05 -0.05 0.00 -0.01 0.00 0.00 54.79 52.98 2qln n ASP 283 Cb 0.47 -0.30 -0.06 0.00 -1.03 0.00 0.00 41.12 40.20 2qln n ASP 283 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 2qln n ASN 284 N 0.63 3.08 -3.67 -1.12 6.94 -1.26 -5.04 115.26 114.82 2qln n ASN 284 Ca 0.13 -0.02 -0.11 0.00 -0.02 0.00 0.00 54.58 54.57 2qln n ASN 284 Cb 0.38 0.45 -0.11 0.00 -2.36 0.00 0.00 39.78 38.14 2qln n ASN 284 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 2qln s PHE 285 N -2.20 -0.61 0.01 -2.53 5.36 -1.26 -4.25 117.98 112.50 2qln s PHE 285 Ca -0.07 1.25 -0.30 0.00 -0.96 0.00 0.00 56.93 56.85 2qln s PHE 285 Cb 0.03 0.17 -0.06 0.00 -0.34 0.00 0.00 43.02 42.82 2qln s PHE 285 CO 0.30 -0.40 1.38 0.12 -1.46 0.00 0.00 175.22 175.16 2qln s PHE 286 N 2.26 2.93 -0.14 10.12 2.19 0.32 -4.97 117.98 130.69 2qln s PHE 286 Ca -0.03 0.88 0.01 0.00 0.33 0.00 0.00 56.93 58.13 2qln s PHE 286 Cb -0.11 -3.64 -0.00 0.00 -1.31 0.00 0.00 43.02 37.96 2qln s PHE 286 CO -0.11 -2.31 -0.18 -1.21 1.83 0.00 0.00 175.22 173.24 2qln s GLU 287 N 2.22 3.16 -1.22 10.12 2.02 -1.26 -5.02 118.70 128.72 2qln s GLU 287 Ca 0.63 -0.79 -0.17 0.00 0.02 0.00 0.00 54.97 54.66 2qln s GLU 287 Cb -0.31 -2.52 -0.02 0.00 0.10 0.00 0.00 34.13 31.37 2qln s GLU 287 CO 0.27 0.06 2.07 0.41 0.02 0.00 0.00 175.26 178.08 2qln n GLY 288 N 3.90 3.46 3.74 -1.39 0.00 -1.26 -4.93 105.19 108.71 2qln n GLY 288 Ca -0.19 -1.43 -0.37 0.00 0.00 0.00 0.00 46.02 44.03 2qln n GLY 288 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qln s LYS 289 N 4.04 4.23 0.25 1.61 -0.14 -1.26 -4.99 119.74 123.48 2qln s LYS 289 Ca 0.52 0.14 -0.05 0.00 -1.36 0.00 0.00 55.97 55.22 2qln s LYS 289 Cb 0.12 -3.41 0.35 0.00 -1.68 0.00 0.00 37.83 33.21 2qln s LYS 289 CO 0.00 0.26 1.86 1.49 -0.76 0.00 0.00 175.35 178.21 2qln h GLU 290 N 6.56 0.99 -0.77 1.68 4.81 -2.00 -1.79 114.58 124.06 2qln h GLU 290 Ca -0.42 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 58.77 2qln h GLU 290 Cb 1.17 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 30.29 2qln h GLU 290 CO 0.75 0.66 0.51 1.25 -0.73 0.00 0.00 179.01 181.44 2qln h LEU 291 N 1.02 0.85 -0.47 1.64 5.85 -1.99 -0.86 115.31 121.35 2qln h LEU 291 Ca 0.39 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 59.00 2qln h LEU 291 Cb 0.17 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 2qln h LEU 291 CO -0.17 0.61 -0.08 -0.09 -0.34 0.00 0.00 178.44 178.36 2qln h ARG 292 N 1.00 0.89 -0.83 1.25 9.65 -1.74 -1.97 114.38 122.65 2qln h ARG 292 Ca 0.29 -0.33 0.02 0.00 -1.10 0.00 0.00 59.98 58.86 2qln h ARG 292 Cb -0.06 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.42 2qln h ARG 292 CO -0.07 0.97 0.54 1.25 2.80 0.00 0.00 179.97 185.46 2qln h LEU 293 N 0.74 0.92 -0.78 3.80 5.85 -0.96 -1.29 115.31 123.59 2qln h LEU 293 Ca 0.12 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 2qln h LEU 293 Cb 0.62 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 2qln h LEU 293 CO 0.04 0.65 0.45 0.11 -0.34 0.00 0.00 178.44 179.36 2qln h LYS 294 N 1.08 1.07 -0.39 1.25 1.57 -1.01 -1.77 116.57 118.38 2qln h LYS 294 Ca 0.31 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 58.99 2qln h LYS 294 Cb -0.07 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.00 2qln h LYS 294 CO -0.09 0.77 0.24 1.96 -0.57 0.00 0.00 179.45 181.77 2qln h GLN 295 N 1.08 0.48 -0.54 3.15 4.20 -0.85 0.26 115.11 122.89 2qln h GLN 295 Ca 0.28 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.93 2qln h GLN 295 Cb -0.01 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 2qln h GLN 295 CO -0.05 0.32 0.22 0.93 -0.67 0.00 0.00 178.83 179.58 2qln h GLU 296 N 0.50 0.80 -0.23 1.46 5.08 -0.96 -2.31 114.58 118.92 2qln h GLU 296 Ca 0.15 -0.14 -0.20 0.00 -1.00 0.00 0.00 59.36 58.17 2qln h GLU 296 Cb -0.04 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.09 2qln h GLU 296 CO -0.05 0.69 -0.63 -0.92 -1.00 0.00 0.00 179.01 177.10 2qln h TYR 297 N 0.73 1.02 -0.28 4.33 3.20 -1.25 -3.04 116.97 121.68 2qln h TYR 297 Ca 0.18 -0.40 0.07 0.00 3.14 0.00 0.00 58.73 61.72 2qln h TYR 297 Cb 0.18 -0.18 -0.07 0.00 1.54 0.00 0.00 36.73 38.20 2qln h TYR 297 CO 0.00 1.21 -0.17 0.35 -1.64 0.00 0.00 178.16 177.92 2qln h PHE 298 N 0.59 -0.41 -0.48 -3.82 3.57 -0.74 0.16 116.94 115.80 2qln h PHE 298 Ca -0.01 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.42 2qln h PHE 298 Cb 1.24 0.23 -0.02 0.00 2.79 0.00 0.00 35.95 40.18 2qln h PHE 298 CO 0.07 -0.24 -0.12 -0.24 -2.23 0.00 0.00 178.31 175.55 2qln h VAL 299 N -0.14 1.26 -0.07 1.41 3.04 -1.50 -2.72 116.25 117.55 2qln h VAL 299 Ca 0.15 -1.23 -0.01 0.00 -1.01 0.00 0.00 66.70 64.59 2qln h VAL 299 Cb 0.36 1.02 -0.00 0.00 -2.01 0.00 0.00 31.29 30.66 2qln h VAL 299 CO -0.37 0.43 -0.01 0.58 -1.01 0.00 0.00 177.57 177.19 2qln h VAL 300 N 0.80 1.28 -0.29 1.51 2.07 -1.33 -1.83 116.25 118.46 2qln h VAL 300 Ca 0.13 -0.87 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 2qln h VAL 300 Cb 0.64 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 2qln h VAL 300 CO 0.04 0.24 0.05 0.00 0.02 0.00 0.00 177.57 177.93 2qln h ALA 301 N 0.69 0.38 -0.36 1.67 0.00 -0.72 -1.32 119.26 119.60 2qln h ALA 301 Ca 0.02 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 2qln h ALA 301 Cb 0.39 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2qln h ALA 301 CO 0.01 0.06 0.05 0.00 0.00 0.00 0.00 179.25 179.37 2qln h ALA 302 N 0.88 0.48 -0.34 0.00 0.00 -1.56 -2.80 119.26 115.92 2qln h ALA 302 Ca 0.09 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2qln h ALA 302 Cb 0.33 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2qln h ALA 302 CO 0.00 0.19 0.20 1.15 0.00 0.00 0.00 179.25 180.80 2qln h THR 303 N 0.44 1.11 -0.24 0.00 2.02 -1.27 -2.58 112.91 112.40 2qln h THR 303 Ca 0.11 -0.26 -0.09 0.00 0.77 0.00 0.00 66.41 66.94 2qln h THR 303 Cb 0.38 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 2qln h THR 303 CO 0.01 0.11 -0.23 -0.07 0.37 0.00 0.00 175.52 175.71 2qln h LEU 304 N 0.44 0.45 -0.62 2.58 4.07 -1.25 -0.26 115.31 120.71 2qln h LEU 304 Ca 0.12 -0.14 -0.04 0.00 0.08 0.00 0.00 57.88 57.89 2qln h LEU 304 Cb 0.01 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 41.60 2qln h LEU 304 CO -0.02 0.68 0.22 1.56 -1.08 0.00 0.00 178.44 179.80 2qln h GLN 305 N 0.40 0.95 -0.32 1.13 4.20 -1.41 -1.50 115.11 118.56 2qln h GLN 305 Ca 0.06 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 2qln h GLN 305 Cb 0.63 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 2qln h GLN 305 CO 0.05 0.83 0.16 0.22 -0.67 0.00 0.00 178.83 179.41 2qln h ASP 306 N 0.88 0.42 0.04 1.46 -0.00 -1.03 -1.20 116.42 116.98 2qln h ASP 306 Ca 0.20 -0.11 0.01 0.00 -0.00 0.00 0.00 57.03 57.14 2qln h ASP 306 Cb 0.25 -0.11 -0.02 0.00 -0.00 0.00 0.00 39.33 39.46 2qln h ASP 306 CO -0.01 0.41 -0.10 0.40 -0.00 0.00 0.00 179.24 179.94 2qln h ILE 307 N 0.39 0.75 -0.55 2.25 2.04 -0.95 -1.78 117.51 119.67 2qln h ILE 307 Ca 0.11 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.94 2qln h ILE 307 Cb 0.10 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 2qln h ILE 307 CO -0.02 0.00 0.20 0.40 0.00 0.00 0.00 178.15 178.73 2qln h ILE 308 N -0.19 1.23 -0.34 -0.67 2.04 -1.21 -0.73 117.51 117.64 2qln h ILE 308 Ca 0.03 -0.74 0.06 0.00 1.00 0.00 0.00 64.86 65.21 2qln h ILE 308 Cb 0.22 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 36.93 2qln h ILE 308 CO -0.08 0.28 0.02 -0.09 0.00 0.00 0.00 178.15 178.29 2qln h ARG 309 N 0.75 0.12 -0.52 2.37 2.43 -1.15 -0.54 114.38 117.83 2qln h ARG 309 Ca 0.18 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.30 2qln h ARG 309 Cb 0.24 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 2qln h ARG 309 CO -0.01 0.08 0.14 -0.09 -1.51 0.00 0.00 179.97 178.58 2qln h ARG 310 N 0.13 0.79 -0.54 0.20 2.43 -1.05 -1.48 114.38 114.85 2qln h ARG 310 Ca 0.16 -0.15 -0.09 0.00 -0.81 0.00 0.00 59.98 59.09 2qln h ARG 310 Cb 0.21 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 2qln h ARG 310 CO -0.25 0.71 -0.01 0.35 -1.51 0.00 0.00 179.97 179.26 2qln h PHE 311 N 0.77 1.06 -0.21 2.20 3.57 -0.57 -3.09 116.94 120.66 2qln h PHE 311 Ca 0.17 -0.19 -0.15 0.00 3.53 0.00 0.00 57.97 61.34 2qln h PHE 311 Cb 0.27 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 2qln h PHE 311 CO 0.02 0.96 -0.48 0.87 -2.23 0.00 0.00 178.31 177.45 2qln h LYS 312 N 0.85 0.57 -1.95 1.11 1.57 -0.91 -3.20 116.57 114.60 2qln h LYS 312 Ca 0.15 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 2qln h LYS 312 Cb 0.55 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 2qln h LYS 312 CO 0.03 0.92 0.01 0.43 -0.57 0.00 0.00 179.45 180.28 2qln n SER 313 N -3.99 5.30 -0.08 0.86 7.64 -0.58 -4.97 113.62 117.80 2qln n SER 313 Ca -0.02 -2.41 -0.07 0.00 1.01 0.00 0.00 58.87 57.37 2qln n SER 313 Cb 0.56 -1.11 -0.03 0.00 -1.01 0.00 0.00 64.21 62.63 2qln n SER 313 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2qln n SER 314 N 1.43 1.86 0.00 6.43 7.64 -1.21 -4.99 113.62 124.78 2qln n SER 314 Ca 0.01 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.40 2qln n SER 314 Cb 0.50 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 2qln n SER 314 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2qln n THR 324 N -4.55 0.00 -3.40 0.44 -1.04 -1.26 -5.16 114.28 99.32 2qln n THR 324 Ca -0.12 0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 61.45 2qln n THR 324 Cb 0.39 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.83 2qln n THR 324 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2qln s ASN 325 N 0.00 6.06 0.00 8.00 3.04 -1.26 -4.93 114.94 125.85 2qln s ASN 325 Ca 0.00 -1.62 0.25 0.00 0.04 0.00 0.00 52.86 51.53 2qln s ASN 325 Cb 0.00 -2.15 1.33 0.00 -1.54 0.00 0.00 41.25 38.89 2qln s ASN 325 CO 0.00 -0.73 1.88 0.49 -3.04 0.00 0.00 177.10 175.69 2qln n PHE 326 N 5.16 0.03 -0.06 0.43 3.72 -1.26 -3.56 117.46 121.92 2qln n PHE 326 Ca -0.12 -0.02 0.02 0.00 -0.05 0.00 0.00 57.45 57.28 2qln n PHE 326 Cb 0.42 0.00 0.33 0.00 -0.94 0.00 0.00 39.48 39.29 2qln n PHE 326 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2qln h ASP 327 N 0.67 0.60 0.16 4.37 5.19 -1.98 -2.47 116.42 122.96 2qln h ASP 327 Ca 0.00 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 2qln h ASP 327 Cb 0.14 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.50 2qln h ASP 327 CO 0.00 0.50 -0.12 0.00 -3.12 0.00 0.00 179.24 176.50 2qln n ALA 328 N -2.46 2.81 -0.07 3.45 0.00 -1.23 -4.38 120.51 118.62 2qln n ALA 328 Ca 0.04 -0.38 -0.07 0.00 0.00 0.00 0.00 53.44 53.03 2qln n ALA 328 Cb 0.11 -1.21 -0.01 0.00 0.00 0.00 0.00 19.45 18.34 2qln n ALA 328 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2qln h PHE 329 N 1.41 -0.56 0.00 0.00 3.04 -1.64 -1.08 116.94 118.10 2qln h PHE 329 Ca 0.00 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.99 2qln h PHE 329 Cb 0.44 0.29 0.00 0.00 2.56 0.00 0.00 35.95 39.24 2qln h PHE 329 CO 0.00 -0.29 0.00 -1.35 -2.02 0.00 0.00 178.31 174.65 2qln h PRO 330 N -0.20 0.00 0.00 6.41 0.11 -1.79 -0.12 132.00 136.42 2qln h PRO 330 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2qln h PRO 330 Cb 0.43 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.54 2qln h PRO 330 CO -0.40 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 176.95 2qln h ASP 331 N 0.00 0.00 0.00 -2.05 3.32 -1.48 -3.34 116.42 112.86 2qln h ASP 331 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2qln h ASP 331 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 2qln h ASP 331 CO 0.00 0.00 -0.18 0.29 -1.72 0.00 0.00 179.24 177.63 2qln n LYS 332 N -2.89 5.79 -4.02 3.56 4.76 -0.74 -4.55 118.16 120.06 2qln n LYS 332 Ca 0.04 -0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.29 2qln n LYS 332 Cb 0.49 -0.65 -0.16 0.00 -1.84 0.00 0.00 35.03 32.87 2qln n LYS 332 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2qln s VAL 333 N -1.30 0.38 -0.08 -0.18 1.01 -0.13 -1.09 120.40 119.00 2qln s VAL 333 Ca 0.01 -0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.03 2qln s VAL 333 Cb 0.02 -0.45 -0.00 0.00 0.00 0.00 0.00 36.38 35.95 2qln s VAL 333 CO 0.11 0.20 -0.22 0.00 0.00 0.00 0.00 175.10 175.19 2qln s ALA 334 N 1.12 2.00 -0.22 5.51 0.00 -0.38 -4.50 121.76 125.30 2qln s ALA 334 Ca -0.08 -0.90 -0.01 0.00 0.00 0.00 0.00 51.96 50.97 2qln s ALA 334 Cb -0.14 -0.71 0.02 0.00 0.00 0.00 0.00 23.12 22.30 2qln s ALA 334 CO -0.01 0.31 -0.11 0.42 0.00 0.00 0.00 175.76 176.36 2qln s ILE 335 N 0.19 2.59 -0.26 0.00 1.01 -0.56 -0.07 121.20 124.11 2qln s ILE 335 Ca -0.12 -0.98 -0.11 0.00 0.00 0.00 0.00 60.65 59.44 2qln s ILE 335 Cb -0.16 -2.24 -0.05 0.00 0.01 0.00 0.00 42.46 40.02 2qln s ILE 335 CO 0.06 0.33 0.17 -1.58 0.00 0.00 0.00 174.94 173.91 2qln s GLN 336 N 1.31 4.00 -0.40 2.79 2.00 0.21 -1.88 119.66 127.69 2qln s GLN 336 Ca 0.02 -0.30 -0.18 0.00 -2.00 0.00 0.00 55.36 52.89 2qln s GLN 336 Cb -0.15 -3.57 0.01 0.00 0.80 0.00 0.00 33.01 30.09 2qln s GLN 336 CO -0.07 -0.05 0.51 -0.51 -0.50 0.00 0.00 175.29 174.68 2qln s LEU 337 N 1.36 4.56 -0.95 3.68 1.43 0.00 -0.96 118.68 127.80 2qln s LEU 337 Ca 0.07 -0.33 -0.24 0.00 -1.03 0.00 0.00 54.13 52.60 2qln s LEU 337 Cb -0.15 -2.55 0.04 0.00 0.03 0.00 0.00 46.19 43.56 2qln s LEU 337 CO 0.07 -0.58 1.47 0.21 0.23 0.00 0.00 176.35 177.75 2qln s ASN 338 N 1.84 6.29 0.51 2.29 2.47 -0.55 -2.05 114.94 125.74 2qln s ASN 338 Ca 0.17 -1.15 0.00 0.00 0.42 0.00 0.00 52.86 52.30 2qln s ASN 338 Cb -0.16 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.08 2qln s ASN 338 CO 0.15 -1.70 0.00 -0.67 -3.72 0.00 0.00 177.10 171.16 2qln n ASP 339 N 9.51 -2.63 -0.10 -4.21 -0.08 -0.47 -4.13 116.55 114.43 2qln n ASP 339 Ca 0.28 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.70 2qln n ASP 339 Cb 0.50 0.00 0.62 0.00 2.34 0.00 0.00 41.12 44.59 2qln n ASP 339 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2qln n THR 340 N -0.74 0.00 -0.33 5.18 -2.24 -1.26 -4.32 114.28 110.57 2qln n THR 340 Ca 0.00 -0.05 0.02 0.00 -2.27 0.00 0.00 64.05 61.75 2qln n THR 340 Cb 0.00 -0.14 0.17 0.00 -2.10 0.00 0.00 70.33 68.26 2qln n THR 340 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 2qln h HIS 341 N 0.50 1.06 -0.71 4.78 3.86 -1.96 0.18 115.15 122.85 2qln h HIS 341 Ca 0.00 0.03 -0.27 0.00 -1.16 0.00 0.00 60.37 58.97 2qln h HIS 341 Cb 0.35 -0.34 -0.16 0.00 1.06 0.00 0.00 27.41 28.32 2qln h HIS 341 CO 0.00 0.51 0.35 -0.35 0.86 0.00 0.00 177.93 179.30 2qln n PRO 342 N -4.60 2.94 0.28 2.45 -0.04 -1.26 -4.65 135.00 130.12 2qln n PRO 342 Ca 0.14 -2.61 0.18 0.00 -0.04 0.00 0.00 63.50 61.17 2qln n PRO 342 Cb 0.21 -2.06 0.97 0.00 -0.04 0.00 0.00 33.50 32.57 2qln n PRO 342 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2qln h SER 343 N 1.84 0.00 0.17 3.54 4.64 -0.89 -1.47 113.55 121.38 2qln h SER 343 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 2qln h SER 343 Cb 2.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.37 2qln h SER 343 CO 0.74 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.88 2qln n LEU 344 N -3.49 0.45 -0.22 5.97 4.77 -1.26 -1.94 117.00 121.27 2qln n LEU 344 Ca -0.01 0.68 0.15 0.00 -0.03 0.00 0.00 56.01 56.80 2qln n LEU 344 Cb 0.20 -0.71 0.46 0.00 -2.33 0.00 0.00 43.42 41.04 2qln n LEU 344 CO 0.24 -0.76 1.22 0.00 -1.33 0.00 0.00 177.39 176.75 2qln h ALA 345 N 2.08 2.03 0.73 -1.18 0.00 -1.63 -0.72 119.26 120.57 2qln h ALA 345 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2qln h ALA 345 Cb 0.09 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.81 2qln h ALA 345 CO 0.00 -0.26 -0.35 0.82 0.00 0.00 0.00 179.25 179.46 2qln h ILE 346 N 0.52 0.06 0.00 0.00 2.04 -1.64 -0.87 117.51 117.63 2qln h ILE 346 Ca 0.42 -0.26 -0.05 0.00 1.00 0.00 0.00 64.86 65.97 2qln h ILE 346 Cb 0.88 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 2qln h ILE 346 CO -0.17 0.01 -0.24 1.55 0.00 0.00 0.00 178.15 179.30 2qln h PRO 347 N -1.23 0.00 -0.47 2.37 0.13 -1.74 -2.48 132.00 128.58 2qln h PRO 347 Ca -0.10 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.92 2qln h PRO 347 Cb 0.76 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.88 2qln h PRO 347 CO 0.16 0.24 -0.14 1.49 -0.23 0.00 0.00 178.00 179.52 2qln h GLU 348 N 0.00 0.93 -0.63 0.86 4.57 -1.13 0.67 114.58 119.86 2qln h GLU 348 Ca -0.00 -0.37 -0.05 0.00 -1.18 0.00 0.00 59.36 57.76 2qln h GLU 348 Cb 0.65 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.17 2qln h GLU 348 CO 0.03 1.03 0.19 1.25 -1.18 0.00 0.00 179.01 180.33 2qln h LEU 349 N 0.78 0.91 -0.68 1.64 5.85 -1.03 -1.69 115.31 121.09 2qln h LEU 349 Ca 0.12 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2qln h LEU 349 Cb 0.70 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 2qln h LEU 349 CO 0.05 0.88 0.43 0.24 -0.34 0.00 0.00 178.44 179.70 2qln h MET 350 N 0.90 0.92 -0.19 1.25 2.86 -1.29 -1.44 114.93 117.94 2qln h MET 350 Ca 0.20 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.79 2qln h MET 350 Cb 0.29 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 2qln h MET 350 CO -0.01 0.63 0.05 -0.09 1.06 0.00 0.00 176.91 178.56 2qln h ARG 351 N 0.93 0.14 -0.25 1.72 2.43 -0.55 0.02 114.38 118.81 2qln h ARG 351 Ca 0.25 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.39 2qln h ARG 351 Cb -0.06 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 2qln h ARG 351 CO -0.05 0.09 0.09 0.28 -1.51 0.00 0.00 179.97 178.88 2qln h VAL 352 N 0.14 1.18 -0.48 0.20 2.07 -1.20 0.97 116.25 119.12 2qln h VAL 352 Ca 0.08 -0.54 -0.07 0.00 0.82 0.00 0.00 66.70 66.99 2qln h VAL 352 Cb 0.06 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 2qln h VAL 352 CO -0.10 0.18 0.04 -0.07 0.02 0.00 0.00 177.57 177.64 2qln h LEU 353 N 0.25 0.80 0.00 2.57 3.38 -1.07 -0.22 115.31 121.03 2qln h LEU 353 Ca 0.08 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 2qln h LEU 353 Cb 0.19 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 2qln h LEU 353 CO -0.01 0.88 -0.18 0.58 0.09 0.00 0.00 178.44 179.81 2qln h VAL 354 N 0.69 0.75 -0.01 1.22 2.07 -1.00 -0.83 116.25 119.14 2qln h VAL 354 Ca 0.14 -1.61 -0.21 0.00 0.82 0.00 0.00 66.70 65.84 2qln h VAL 354 Cb 0.45 1.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2qln h VAL 354 CO 0.02 0.25 -0.89 0.44 0.02 0.00 0.00 177.57 177.42 2qln h ASP 355 N -1.00 0.45 0.00 0.57 3.45 -0.93 -2.95 116.42 116.01 2qln h ASP 355 Ca -0.03 -0.35 -0.39 0.00 0.43 0.00 0.00 57.03 56.68 2qln h ASP 355 Cb 0.55 -0.14 -0.06 0.00 -0.56 0.00 0.00 39.33 39.12 2qln h ASP 355 CO -0.02 1.14 -2.37 0.18 -1.57 0.00 0.00 179.24 176.60 2qln n LEU 356 N -3.74 2.27 0.00 1.55 4.77 -0.78 -4.58 117.00 116.49 2qln n LEU 356 Ca -0.05 0.13 0.12 0.00 -0.03 0.00 0.00 56.01 56.17 2qln n LEU 356 Cb 0.80 -0.77 0.26 0.00 -2.33 0.00 0.00 43.42 41.39 2qln n LEU 356 CO 0.50 0.68 0.47 -0.62 -1.33 0.00 0.00 177.39 177.08 2qln n GLU 357 N -3.73 0.00 -1.73 3.23 -0.58 -0.16 -4.97 120.64 112.70 2qln n GLU 357 Ca -0.46 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.16 2qln n GLU 357 Cb 0.89 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 30.22 2qln n GLU 357 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2qln n ARG 358 N -1.50 -0.90 -2.44 3.49 5.12 -0.81 -4.96 116.66 114.65 2qln n ARG 358 Ca 0.06 0.79 -0.34 0.00 -1.93 0.00 0.00 57.85 56.42 2qln n ARG 358 Cb 0.34 -4.87 -0.02 0.00 -1.16 0.00 0.00 32.46 26.74 2qln n ARG 358 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2qln s LEU 359 N -3.09 3.79 0.65 0.55 1.02 -0.38 -4.98 118.68 116.23 2qln s LEU 359 Ca 0.00 1.96 -0.15 0.00 0.02 0.00 0.00 54.13 55.96 2qln s LEU 359 Cb 0.00 -4.56 -0.01 0.00 0.02 0.00 0.00 46.19 41.64 2qln s LEU 359 CO 0.00 -0.90 1.10 1.51 0.02 0.00 0.00 176.35 178.08 2qln s ASP 360 N -2.02 5.24 0.16 2.29 -4.77 -1.26 -4.37 116.67 111.94 2qln s ASP 360 Ca 0.68 1.96 -0.18 0.00 -3.30 0.00 0.00 52.55 51.71 2qln s ASP 360 Cb -0.18 -2.55 0.08 0.00 -1.09 0.00 0.00 42.92 39.19 2qln s ASP 360 CO 0.23 -1.54 1.66 -0.25 0.70 0.00 0.00 175.17 175.97 2qln h TRP 361 N 0.10 -0.29 -0.55 2.11 2.91 -1.97 -1.76 115.95 116.50 2qln h TRP 361 Ca -0.47 0.04 -0.06 0.00 1.13 0.00 0.00 58.89 59.53 2qln h TRP 361 Cb 1.24 0.18 -0.02 0.00 -0.51 0.00 0.00 29.16 30.05 2qln h TRP 361 CO 0.55 -0.20 0.09 -0.44 -1.03 0.00 0.00 178.44 177.42 2qln h ASP 362 N -0.05 0.83 -0.15 2.65 3.45 -1.99 0.11 116.42 121.27 2qln h ASP 362 Ca 0.18 -0.17 -0.12 0.00 0.43 0.00 0.00 57.03 57.35 2qln h ASP 362 Cb 0.32 -0.22 0.00 0.00 -0.56 0.00 0.00 39.33 38.87 2qln h ASP 362 CO -0.40 0.83 -0.38 0.50 -1.57 0.00 0.00 179.24 178.23 2qln h LYS 363 N 0.83 0.52 -0.62 3.56 1.63 -1.90 -2.22 116.57 118.38 2qln h LYS 363 Ca 0.17 -0.36 0.03 0.00 -0.85 0.00 0.00 60.65 59.65 2qln h LYS 363 Cb 0.36 0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 32.00 2qln h LYS 363 CO 0.01 0.97 0.37 0.00 -3.45 0.00 0.00 179.45 177.35 2qln h ALA 364 N 0.54 0.80 -0.69 5.00 0.00 -1.02 -1.72 119.26 122.17 2qln h ALA 364 Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2qln h ALA 364 Cb 0.99 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2qln h ALA 364 CO 0.08 0.10 0.31 2.35 0.00 0.00 0.00 179.25 182.09 2qln h TRP 365 N 0.72 1.01 -0.51 0.00 2.91 -0.80 -0.78 115.95 118.50 2qln h TRP 365 Ca 0.25 -0.06 0.01 0.00 1.13 0.00 0.00 58.89 60.22 2qln h TRP 365 Cb 0.05 -0.31 -0.03 0.00 -0.51 0.00 0.00 29.16 28.36 2qln h TRP 365 CO -0.06 0.76 0.34 1.49 -1.03 0.00 0.00 178.44 179.95 2qln h GLU 366 N 0.97 0.67 -0.40 2.65 4.81 -1.10 -1.50 114.58 120.68 2qln h GLU 366 Ca 0.23 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 2qln h GLU 366 Cb 0.15 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2qln h GLU 366 CO -0.03 0.45 0.19 0.28 -0.73 0.00 0.00 179.01 179.17 2qln h VAL 367 N 0.69 1.17 0.16 0.32 2.07 -1.07 -2.63 116.25 116.97 2qln h VAL 367 Ca 0.19 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 2qln h VAL 367 Cb -0.08 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2qln h VAL 367 CO -0.04 0.19 -0.09 0.74 0.02 0.00 0.00 177.57 178.39 2qln h THR 368 N 0.51 0.81 -0.32 2.57 2.02 -0.88 -1.93 112.91 115.70 2qln h THR 368 Ca 0.14 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.35 2qln h THR 368 Cb 0.12 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 2qln h THR 368 CO -0.02 0.00 0.14 0.58 0.37 0.00 0.00 175.52 176.59 2qln h VAL 369 N -0.24 0.96 0.00 3.16 2.07 -1.29 -1.25 116.25 119.66 2qln h VAL 369 Ca -0.02 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.40 2qln h VAL 369 Cb 0.19 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2qln h VAL 369 CO 0.02 0.05 0.00 0.11 0.02 0.00 0.00 177.57 177.78 2qln h LYS 370 N 0.30 0.00 0.15 1.57 1.57 -1.41 -1.70 116.57 117.05 2qln h LYS 370 Ca 0.14 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.56 2qln h LYS 370 Cb 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 2qln h LYS 370 CO -0.11 0.00 -1.86 1.15 -0.57 0.00 0.00 179.45 178.05 2qln h THR 371 N 0.00 0.79 -2.86 -0.16 2.02 -0.52 -3.47 112.91 108.72 2qln h THR 371 Ca 0.00 -2.45 -0.63 0.00 0.77 0.00 0.00 66.41 64.10 2qln h THR 371 Cb 0.36 2.64 -0.05 0.00 -1.74 0.00 0.00 68.15 69.36 2qln h THR 371 CO 0.00 0.87 -0.42 0.00 0.37 0.00 0.00 175.52 176.35 2qln s ALA 373 N -1.27 0.06 -0.06 0.00 0.00 -0.79 -1.87 121.76 117.83 2qln s ALA 373 Ca 0.26 -0.43 0.04 0.00 0.00 0.00 0.00 51.96 51.83 2qln s ALA 373 Cb -0.13 0.11 -0.00 0.00 0.00 0.00 0.00 23.12 23.10 2qln s ALA 373 CO 0.15 -0.13 -0.19 -0.47 0.00 0.00 0.00 175.76 175.13 2qln s TYR 374 N -1.13 1.96 -0.18 0.00 6.14 -0.43 -0.82 117.35 122.89 2qln s TYR 374 Ca -0.12 -0.66 -0.02 0.00 0.64 0.00 0.00 57.07 56.90 2qln s TYR 374 Cb -0.08 -1.33 -0.01 0.00 0.42 0.00 0.00 41.96 40.96 2qln s TYR 374 CO -0.01 -0.26 -0.08 0.99 0.64 0.00 0.00 175.55 176.83 2qln s THR 375 N 0.21 3.22 0.01 4.34 2.01 -0.87 -1.76 115.64 122.80 2qln s THR 375 Ca -0.10 -0.57 -0.13 0.00 0.31 0.00 0.00 61.69 61.21 2qln s THR 375 Cb -0.14 -2.41 -0.06 0.00 0.01 0.00 0.00 72.50 69.90 2qln s THR 375 CO 0.04 0.47 0.38 0.21 -0.69 0.00 0.00 174.62 175.04 2qln s ASN 376 N 0.96 6.72 0.00 3.53 3.84 -0.69 -1.37 114.94 127.94 2qln s ASN 376 Ca -0.01 0.87 0.00 0.00 0.21 0.00 0.00 52.86 53.93 2qln s ASN 376 Cb -0.15 -2.21 0.00 0.00 -0.55 0.00 0.00 41.25 38.34 2qln s ASN 376 CO -0.00 0.29 0.45 1.41 -2.79 0.00 0.00 177.10 176.45 2qln n HIS 377 N 1.57 0.00 -3.52 0.43 8.25 -1.26 -4.22 115.22 116.47 2qln n HIS 377 Ca -0.13 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.21 2qln n HIS 377 Cb 0.53 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.60 2qln n HIS 377 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2qln s THR 378 N -0.04 0.00 -1.22 1.59 -1.32 -1.26 -4.53 115.64 108.86 2qln s THR 378 Ca 0.00 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 60.61 2qln s THR 378 Cb 0.00 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.00 2qln s THR 378 CO 0.00 0.00 0.75 1.33 -2.21 0.00 0.00 174.62 174.49 2qln n VAL 379 N 0.33 0.00 -2.13 5.08 0.24 -1.26 -4.97 118.33 115.62 2qln n VAL 379 Ca -0.13 -0.39 -0.43 0.00 -2.04 0.00 0.00 64.34 61.36 2qln n VAL 379 Cb 0.60 1.17 -0.03 0.00 -1.47 0.00 0.00 33.84 34.11 2qln n VAL 379 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2qln s LEU 380 N -1.69 4.19 0.41 1.34 1.43 -1.26 -4.90 118.68 118.19 2qln s LEU 380 Ca 0.11 1.97 0.09 0.00 -1.03 0.00 0.00 54.13 55.26 2qln s LEU 380 Cb 0.10 -3.53 0.86 0.00 0.03 0.00 0.00 46.19 43.65 2qln s LEU 380 CO 0.29 -0.97 2.01 1.55 0.23 0.00 0.00 176.35 179.47 2qln h PRO 381 N 9.52 0.38 0.00 1.29 0.13 -1.98 -2.32 132.00 139.02 2qln h PRO 381 Ca -0.35 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2qln h PRO 381 Cb 1.15 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2qln h PRO 381 CO 0.97 0.34 0.00 1.05 -0.23 0.00 0.00 178.00 180.13 2qln h GLU 382 N 0.39 0.00 0.00 0.86 9.09 -1.90 -2.73 114.58 120.28 2qln h GLU 382 Ca 0.10 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.51 2qln h GLU 382 Cb 0.11 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.21 2qln h GLU 382 CO -0.01 0.00 -0.72 0.00 0.05 0.00 0.00 179.01 178.33 2qln h ALA 383 N 2.22 0.54 -2.71 1.06 0.00 -1.59 0.93 119.26 119.72 2qln h ALA 383 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 2qln h ALA 383 Cb 0.39 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.20 2qln h ALA 383 CO 0.00 0.00 0.53 -0.51 0.00 0.00 0.00 179.25 179.27 2qln s LEU 384 N -4.41 4.48 -0.27 0.00 1.43 -1.03 -4.59 118.68 114.28 2qln s LEU 384 Ca 0.05 2.23 -0.29 0.00 -1.03 0.00 0.00 54.13 55.09 2qln s LEU 384 Cb 0.13 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.74 2qln s LEU 384 CO 0.74 -0.29 1.16 -1.61 0.23 0.00 0.00 176.35 176.58 2qln s GLU 385 N -0.62 4.09 -0.35 1.70 2.02 -1.26 -4.78 118.70 119.51 2qln s GLU 385 Ca 0.50 1.27 0.01 0.00 0.02 0.00 0.00 54.97 56.77 2qln s GLU 385 Cb -0.32 -3.76 0.11 0.00 0.10 0.00 0.00 34.13 30.25 2qln s GLU 385 CO 0.38 -0.88 0.13 1.03 0.02 0.00 0.00 175.26 175.94 2qln s ARG 386 N 3.69 0.99 -0.08 1.61 0.52 -1.26 -2.34 118.95 122.08 2qln s ARG 386 Ca 0.50 -1.45 -0.28 0.00 -0.52 0.00 0.00 55.73 53.97 2qln s ARG 386 Cb -0.16 -2.29 -0.02 0.00 0.52 0.00 0.00 34.95 33.00 2qln s ARG 386 CO 0.16 -1.02 0.91 -1.58 0.02 0.00 0.00 175.30 173.79 2qln s TRP 387 N 1.17 3.55 0.23 -0.53 0.52 -0.74 -4.73 118.94 118.41 2qln s TRP 387 Ca 0.12 1.50 -0.31 0.00 0.02 0.00 0.00 56.10 57.43 2qln s TRP 387 Cb -0.19 -3.07 -0.14 0.00 -1.15 0.00 0.00 33.47 28.92 2qln s TRP 387 CO -0.16 -0.11 1.35 -2.30 0.02 0.00 0.00 176.95 175.75 2qln n PRO 388 N 4.52 1.86 -0.20 4.98 -0.02 -1.26 -0.54 135.00 144.33 2qln n PRO 388 Ca 0.05 0.66 0.01 0.00 -2.02 0.00 0.00 63.50 62.20 2qln n PRO 388 Cb 0.50 -2.28 0.26 0.00 -0.02 0.00 0.00 33.50 31.96 2qln n PRO 388 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2qln h VAL 389 N 2.94 1.19 0.00 -1.45 2.07 -1.38 -2.72 116.25 116.89 2qln h VAL 389 Ca -0.45 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 66.69 2qln h VAL 389 Cb 1.29 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2qln h VAL 389 CO 0.74 0.18 -0.21 1.12 0.02 0.00 0.00 177.57 179.42 2qln h HIS 390 N 0.98 0.00 -0.12 1.57 2.07 -1.90 0.55 115.15 118.31 2qln h HIS 390 Ca 0.27 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.76 2qln h HIS 390 Cb -0.11 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 29.86 2qln h HIS 390 CO 0.00 0.21 -0.04 -0.07 -3.07 0.00 0.00 177.93 174.96 2qln h LEU 391 N 0.00 0.23 -0.90 6.12 3.38 -1.86 -2.78 115.31 119.50 2qln h LEU 391 Ca -0.00 -0.38 -0.11 0.00 0.09 0.00 0.00 57.88 57.48 2qln h LEU 391 Cb 0.40 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2qln h LEU 391 CO 0.03 0.56 -0.34 -0.07 0.09 0.00 0.00 178.44 178.71 2qln h LEU 392 N -0.10 0.40 -0.63 1.67 3.38 -1.42 -0.56 115.31 118.05 2qln h LEU 392 Ca 0.03 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.86 2qln h LEU 392 Cb 0.46 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 2qln h LEU 392 CO 0.01 0.72 0.41 -0.08 0.09 0.00 0.00 178.44 179.59 2qln h GLU 393 N 0.34 0.80 0.03 1.13 4.81 -0.93 0.99 114.58 121.75 2qln h GLU 393 Ca 0.04 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 2qln h GLU 393 Cb 0.76 -0.18 0.01 0.00 0.63 0.00 0.00 28.75 29.97 2qln h GLU 393 CO 0.06 0.53 -0.30 1.15 -0.73 0.00 0.00 179.01 179.72 2qln h THR 394 N 0.83 1.63 0.20 0.32 2.02 -1.30 -3.30 112.91 113.30 2qln h THR 394 Ca 0.24 -2.23 -0.27 0.00 0.77 0.00 0.00 66.41 64.91 2qln h THR 394 Cb -0.06 3.10 0.03 0.00 -1.74 0.00 0.00 68.15 69.48 2qln h THR 394 CO -0.07 0.60 -1.21 0.25 0.37 0.00 0.00 175.52 175.47 2qln h LEU 395 N -0.65 0.67 -5.97 2.58 5.85 -1.12 -3.37 115.31 113.30 2qln h LEU 395 Ca -0.05 -0.93 -0.55 0.00 0.84 0.00 0.00 57.88 57.19 2qln h LEU 395 Cb 1.16 -0.22 -0.40 0.00 0.37 0.00 0.00 40.66 41.57 2qln h LEU 395 CO 0.06 1.58 -1.02 0.18 -0.34 0.00 0.00 178.44 178.90 2qln n LEU 396 N -3.89 1.23 -0.25 2.25 4.77 0.33 -0.23 117.00 121.20 2qln n LEU 396 Ca -0.16 -4.97 0.05 0.00 -0.03 0.00 0.00 56.01 50.90 2qln n LEU 396 Cb 0.98 0.37 0.29 0.00 -2.33 0.00 0.00 43.42 42.73 2qln n LEU 396 CO 0.55 2.15 1.23 1.55 -1.33 0.00 0.00 177.39 181.54 2qln h PRO 397 N 3.69 0.88 -0.21 3.23 0.13 -1.61 -2.29 132.00 135.81 2qln h PRO 397 Ca 0.10 -0.05 -0.19 0.00 -0.87 0.00 0.00 66.00 64.99 2qln h PRO 397 Cb 0.84 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 31.77 2qln h PRO 397 CO 0.56 0.58 -0.61 -0.09 -0.23 0.00 0.00 178.00 178.21 2qln h ARG 398 N 0.91 0.71 -0.82 0.86 9.65 -1.91 -2.95 114.38 120.84 2qln h ARG 398 Ca 0.36 -0.49 -0.04 0.00 -1.10 0.00 0.00 59.98 58.72 2qln h ARG 398 Cb 0.24 0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 28.85 2qln h ARG 398 CO -0.13 1.11 0.37 0.45 2.80 0.00 0.00 179.97 184.57 2qln h HIS 399 N 0.53 1.19 -0.28 2.20 3.86 -1.78 -1.71 115.15 119.16 2qln h HIS 399 Ca -0.01 -0.07 0.01 0.00 -1.16 0.00 0.00 60.37 59.15 2qln h HIS 399 Cb 1.20 -0.37 -0.02 0.00 1.06 0.00 0.00 27.41 29.28 2qln h HIS 399 CO 0.06 0.88 0.16 1.25 0.86 0.00 0.00 177.93 181.14 2qln h LEU 400 N 1.17 0.25 -0.79 2.43 6.46 -1.43 0.52 115.31 123.92 2qln h LEU 400 Ca 0.28 0.01 0.07 0.00 -0.12 0.00 0.00 57.88 58.11 2qln h LEU 400 Cb 0.15 -0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 39.97 2qln h LEU 400 CO -0.03 0.18 0.47 1.56 -0.62 0.00 0.00 178.44 180.00 2qln h GLN 401 N 0.32 0.81 -0.42 1.25 4.20 -1.31 -0.58 115.11 119.40 2qln h GLN 401 Ca 0.11 -0.05 -0.13 0.00 0.06 0.00 0.00 58.65 58.65 2qln h GLN 401 Cb 0.01 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 2qln h GLN 401 CO -0.06 0.54 -0.25 0.82 -0.67 0.00 0.00 178.83 179.21 2qln h ILE 402 N 0.84 1.27 -0.66 2.54 2.04 -0.94 -2.40 117.51 120.20 2qln h ILE 402 Ca 0.36 -1.40 -0.04 0.00 1.00 0.00 0.00 64.86 64.78 2qln h ILE 402 Cb 0.22 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 2qln h ILE 402 CO -0.19 0.47 0.27 0.40 0.00 0.00 0.00 178.15 179.10 2qln h ILE 403 N 0.74 1.24 -0.79 -0.67 2.04 -0.28 -0.14 117.51 119.65 2qln h ILE 403 Ca 0.09 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 2qln h ILE 403 Cb 0.80 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 2qln h ILE 403 CO 0.07 0.29 0.46 1.88 0.00 0.00 0.00 178.15 180.85 2qln h TYR 404 N 0.93 1.06 -0.44 1.37 0.05 -1.02 -0.36 116.97 118.57 2qln h TYR 404 Ca 0.22 -0.01 -0.10 0.00 0.05 0.00 0.00 58.73 58.89 2qln h TYR 404 Cb 0.20 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 37.58 2qln h TYR 404 CO 0.01 0.73 -0.10 1.49 -1.05 0.00 0.00 178.16 179.24 2qln h GLU 405 N 1.09 0.84 -0.40 4.88 4.57 -1.17 -1.57 114.58 122.83 2qln h GLU 405 Ca 0.28 -0.32 0.04 0.00 -1.18 0.00 0.00 59.36 58.18 2qln h GLU 405 Cb -0.01 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.50 2qln h GLU 405 CO -0.05 0.95 0.17 0.82 -1.18 0.00 0.00 179.01 179.72 2qln h ILE 406 N 0.67 0.92 -0.47 2.32 2.04 -0.83 -2.49 117.51 119.66 2qln h ILE 406 Ca 0.11 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.86 2qln h ILE 406 Cb 0.64 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 2qln h ILE 406 CO 0.04 0.06 0.30 -1.13 0.00 0.00 0.00 178.15 177.43 2qln h ASN 407 N 0.34 0.51 -0.03 1.72 -1.24 -0.77 -0.93 115.58 115.19 2qln h ASN 407 Ca 0.18 -0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.18 2qln h ASN 407 Cb 0.13 -0.12 -0.00 0.00 0.73 0.00 0.00 38.32 39.06 2qln h ASN 407 CO -0.16 0.37 0.01 -0.61 -1.29 0.00 0.00 177.43 175.75 2qln h GLN 408 N 0.61 0.04 -0.77 6.67 4.15 -1.20 0.12 115.11 124.73 2qln h GLN 408 Ca 0.18 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.56 2qln h GLN 408 Cb -0.04 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.61 2qln h GLN 408 CO -0.06 0.15 0.36 0.00 -1.93 0.00 0.00 178.83 177.35 2qln h ARG 409 N -0.09 1.10 -0.17 1.69 3.08 -1.35 -1.07 114.38 117.58 2qln h ARG 409 Ca 0.01 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 2qln h ARG 409 Cb 0.13 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 2qln h ARG 409 CO -0.00 0.86 0.03 0.35 -1.07 0.00 0.00 179.97 180.14 2qln h PHE 410 N 1.09 0.29 0.00 3.04 3.57 -1.00 -2.85 116.94 121.08 2qln h PHE 410 Ca 0.26 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.66 2qln h PHE 410 Cb 0.13 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 2qln h PHE 410 CO 0.01 0.42 -0.30 -0.07 -2.23 0.00 0.00 178.31 176.15 2qln h LEU 411 N 0.07 0.00 -0.94 0.59 3.38 -0.79 -1.67 115.31 115.94 2qln h LEU 411 Ca 0.05 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 2qln h LEU 411 Cb 0.29 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 2qln h LEU 411 CO 0.00 0.30 0.15 0.78 0.09 0.00 0.00 178.44 179.76 2qln h ASN 412 N 0.00 0.86 -0.49 -0.43 -0.26 -1.15 -0.62 115.58 113.50 2qln h ASN 412 Ca -0.00 -0.16 -0.11 0.00 -0.56 0.00 0.00 56.30 55.47 2qln h ASN 412 Cb 0.57 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.59 2qln h ASN 412 CO 0.04 0.84 -0.11 0.03 -1.06 0.00 0.00 177.43 177.17 2qln h ARG 413 N 0.89 0.97 -0.24 0.81 3.08 -1.10 -2.31 114.38 116.48 2qln h ARG 413 Ca 0.19 -0.35 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 2qln h ARG 413 Cb 0.31 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2qln h ARG 413 CO -0.00 1.02 0.03 0.28 -1.07 0.00 0.00 179.97 180.23 2qln h VAL 414 N 0.86 1.23 -0.65 2.04 2.07 -1.10 -2.21 116.25 118.50 2qln h VAL 414 Ca 0.14 -0.80 0.01 0.00 0.82 0.00 0.00 66.70 66.87 2qln h VAL 414 Cb 0.66 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 2qln h VAL 414 CO 0.05 0.25 0.43 0.00 0.02 0.00 0.00 177.57 178.32 2qln h ALA 415 N 0.84 1.54 0.00 1.67 0.00 -1.11 0.38 119.26 122.59 2qln h ALA 415 Ca 0.07 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 2qln h ALA 415 Cb 0.35 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2qln h ALA 415 CO 0.01 0.42 -0.69 0.00 0.00 0.00 0.00 179.25 178.99 2qln h ALA 416 N 1.60 0.84 0.04 0.00 0.00 -1.30 -2.90 119.26 117.53 2qln h ALA 416 Ca 0.24 -0.63 -0.27 0.00 0.00 0.00 0.00 54.91 54.25 2qln h ALA 416 Cb -0.09 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2qln h ALA 416 CO -0.05 0.87 -1.43 0.00 0.00 0.00 0.00 179.25 178.63 2qln h ALA 417 N 1.31 0.49 -2.24 0.00 0.00 -0.85 -3.40 119.26 114.56 2qln h ALA 417 Ca -0.01 -1.18 -0.58 0.00 0.00 0.00 0.00 54.91 53.13 2qln h ALA 417 Cb 1.24 0.22 -0.40 0.00 0.00 0.00 0.00 17.79 18.85 2qln h ALA 417 CO 0.09 1.35 -0.85 1.19 0.00 0.00 0.00 179.25 181.03 2qln n PHE 418 N -3.27 1.40 -1.96 0.00 3.72 0.08 -5.10 117.46 112.32 2qln n PHE 418 Ca -0.12 -3.82 -0.42 0.00 -0.05 0.00 0.00 57.45 53.04 2qln n PHE 418 Cb 1.01 -0.37 -0.03 0.00 -0.94 0.00 0.00 39.48 39.15 2qln n PHE 418 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 2qln s PRO 419 N -1.51 4.23 0.00 -1.08 0.02 -1.10 -2.38 135.00 133.18 2qln s PRO 419 Ca 0.35 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.71 2qln s PRO 419 Cb 0.12 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.49 2qln s PRO 419 CO -0.09 -0.57 0.00 0.41 -0.33 0.00 0.00 177.00 176.41 2qln n GLY 420 N 3.51 1.06 3.36 0.52 0.00 -1.26 -4.97 105.19 107.40 2qln n GLY 420 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 2qln n GLY 420 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2qln n ASP 421 N 0.00 5.10 -0.03 1.61 4.64 -1.00 -4.82 116.55 122.04 2qln n ASP 421 Ca 0.00 -2.98 -0.01 0.00 -1.38 0.00 0.00 54.79 50.42 2qln n ASP 421 Cb 0.00 -1.59 0.28 0.00 -1.04 0.00 0.00 41.12 38.77 2qln n ASP 421 CO 0.00 0.00 0.00 -0.37 -0.82 0.00 0.00 177.20 176.01 2qln h VAL 422 N 4.63 1.20 -0.21 5.18 -1.51 -1.93 -2.82 116.25 120.79 2qln h VAL 422 Ca 0.36 -0.75 -0.14 0.00 -1.23 0.00 0.00 66.70 64.94 2qln h VAL 422 Cb 0.82 0.84 -0.01 0.00 -2.13 0.00 0.00 31.29 30.81 2qln h VAL 422 CO 1.37 0.27 -0.46 -0.78 -1.23 0.00 0.00 177.57 176.74 2qln h ASP 423 N 0.58 0.57 -0.72 4.19 3.58 -2.00 -2.87 116.42 119.76 2qln h ASP 423 Ca 0.13 -0.27 0.04 0.00 0.42 0.00 0.00 57.03 57.35 2qln h ASP 423 Cb 0.29 -0.16 -0.05 0.00 1.72 0.00 0.00 39.33 41.14 2qln h ASP 423 CO 0.00 0.94 0.44 -0.09 -2.88 0.00 0.00 179.24 177.66 2qln h ARG 424 N 0.42 0.82 -0.81 0.28 2.43 -1.92 -1.08 114.38 114.53 2qln h ARG 424 Ca 0.03 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.22 2qln h ARG 424 Cb 0.96 -0.19 -0.06 0.00 -0.42 0.00 0.00 29.97 30.26 2qln h ARG 424 CO 0.09 0.55 0.48 -0.07 -1.51 0.00 0.00 179.97 179.50 2qln h LEU 425 N 0.85 0.72 -0.30 3.80 3.38 -1.37 -0.01 115.31 122.39 2qln h LEU 425 Ca 0.29 0.03 -0.19 0.00 0.09 0.00 0.00 57.88 58.11 2qln h LEU 425 Cb 0.06 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2qln h LEU 425 CO -0.13 0.44 -0.86 0.08 0.09 0.00 0.00 178.44 178.06 2qln h ARG 426 N 0.85 0.09 -0.24 1.13 -0.00 -1.29 -2.75 114.38 112.18 2qln h ARG 426 Ca 0.37 -0.11 -0.12 0.00 -0.00 0.00 0.00 59.98 60.12 2qln h ARG 426 Cb 0.24 0.03 -0.01 0.00 -0.00 0.00 0.00 29.97 30.23 2qln h ARG 426 CO -0.20 0.90 -0.37 0.00 -0.00 0.00 0.00 179.97 180.30 2qln h ARG 427 N 0.05 0.52 0.00 0.08 3.08 -0.59 -3.26 114.38 114.27 2qln h ARG 427 Ca -0.03 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.77 2qln h ARG 427 Cb 1.50 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.55 2qln h ARG 427 CO 0.12 0.82 -0.76 -1.33 -1.07 0.00 0.00 179.97 177.75 2qln n MET 428 N -4.05 0.14 -1.67 0.04 2.81 -0.07 -4.96 117.12 109.36 2qln n MET 428 Ca -0.01 0.01 -0.43 0.00 -1.81 0.00 0.00 57.70 55.46 2qln n MET 428 Cb 0.49 -1.56 -0.01 0.00 -0.71 0.00 0.00 33.22 31.43 2qln n MET 428 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2qln n SER 429 N -1.74 2.42 0.19 7.83 2.88 -1.04 -4.89 113.62 119.27 2qln n SER 429 Ca 0.04 1.19 0.06 0.00 -1.33 0.00 0.00 58.87 58.83 2qln n SER 429 Cb 0.38 -1.43 0.37 0.00 -0.75 0.00 0.00 64.21 62.78 2qln n SER 429 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2qln h LEU 430 N 2.59 0.00 -8.98 2.46 3.38 -1.91 -3.42 115.31 109.43 2qln h LEU 430 Ca -0.44 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 56.90 2qln h LEU 430 Cb 1.30 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.90 2qln h LEU 430 CO 0.63 0.35 -0.27 -0.69 0.09 0.00 0.00 178.44 178.56 2qln s VAL 431 N -3.72 5.20 -0.21 1.22 1.01 -1.26 -0.27 120.40 122.38 2qln s VAL 431 Ca -0.00 0.54 -0.14 0.00 0.00 0.00 0.00 61.98 62.38 2qln s VAL 431 Cb 0.12 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 2qln s VAL 431 CO 0.68 0.20 0.30 -1.61 0.00 0.00 0.00 175.10 174.66 2qln s GLU 432 N 1.83 4.15 0.56 2.72 2.02 0.93 -4.97 118.70 125.94 2qln s GLU 432 Ca 0.15 0.02 -0.08 0.00 0.02 0.00 0.00 54.97 55.08 2qln s GLU 432 Cb -0.15 -3.52 -0.02 0.00 0.10 0.00 0.00 34.13 30.53 2qln s GLU 432 CO 0.09 0.03 0.90 -1.21 0.02 0.00 0.00 175.26 175.10 2qln s GLU 433 N 1.11 3.37 0.00 1.61 8.01 -1.26 -1.86 118.70 129.68 2qln s GLU 433 Ca 0.15 0.34 0.00 0.00 0.01 0.00 0.00 54.97 55.46 2qln s GLU 433 Cb -0.14 -2.24 0.00 0.00 -4.31 0.00 0.00 34.13 27.44 2qln s GLU 433 CO 0.06 -0.48 0.00 0.41 0.01 0.00 0.00 175.26 175.26 2qln n GLY 434 N -2.53 0.20 0.12 -1.39 0.00 -1.26 -4.93 105.19 95.40 2qln n GLY 434 Ca 0.03 -1.38 -0.04 0.00 0.00 0.00 0.00 46.02 44.64 2qln n GLY 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qln h ALA 435 N 0.00 -0.55 -3.14 4.61 0.00 -2.06 -3.38 119.26 114.74 2qln h ALA 435 Ca 0.00 -0.02 -0.65 0.00 0.00 0.00 0.00 54.91 54.25 2qln h ALA 435 Cb 0.00 0.67 -0.13 0.00 0.00 0.00 0.00 17.79 18.33 2qln h ALA 435 CO 0.00 -0.60 -0.56 0.14 0.00 0.00 0.00 179.25 178.23 2qln s VAL 436 N -3.68 4.85 0.33 0.00 -7.23 -1.26 -5.10 120.40 108.32 2qln s VAL 436 Ca -0.04 -0.03 -0.28 0.00 -1.81 0.00 0.00 61.98 59.83 2qln s VAL 436 Cb 0.02 -3.13 -0.09 0.00 0.56 0.00 0.00 36.38 33.73 2qln s VAL 436 CO 0.15 0.54 1.18 -0.54 -0.31 0.00 0.00 175.10 176.12 2qln s LYS 437 N -0.31 4.38 0.05 4.82 1.02 -1.26 -4.84 119.74 123.60 2qln s LYS 437 Ca 0.09 1.93 0.01 0.00 0.02 0.00 0.00 55.97 58.02 2qln s LYS 437 Cb -0.12 -2.99 -0.03 0.00 -0.52 0.00 0.00 37.83 34.17 2qln s LYS 437 CO 0.02 -0.06 -0.06 1.03 -0.92 0.00 0.00 175.35 175.35 2qln s ARG 438 N -1.82 0.54 -0.25 1.68 0.52 -0.78 -0.93 118.95 117.91 2qln s ARG 438 Ca 0.50 -0.86 -0.13 0.00 -0.52 0.00 0.00 55.73 54.72 2qln s ARG 438 Cb -0.34 -0.16 -0.05 0.00 0.52 0.00 0.00 34.95 34.93 2qln s ARG 438 CO 0.43 0.01 0.26 0.42 0.02 0.00 0.00 175.30 176.44 2qln s ILE 439 N -1.95 5.28 -0.57 1.52 -1.09 0.29 -0.05 121.20 124.63 2qln s ILE 439 Ca -0.06 0.37 -0.27 0.00 -2.23 0.00 0.00 60.65 58.45 2qln s ILE 439 Cb -0.06 -3.59 0.03 0.00 -1.58 0.00 0.00 42.46 37.26 2qln s ILE 439 CO -0.01 0.26 1.13 0.21 -1.23 0.00 0.00 174.94 175.30 2qln s ASN 440 N 1.34 6.42 0.39 3.58 3.84 0.63 -1.79 114.94 129.35 2qln s ASN 440 Ca 0.11 -0.01 0.17 0.00 0.21 0.00 0.00 52.86 53.34 2qln s ASN 440 Cb -0.15 -2.52 0.82 0.00 -0.55 0.00 0.00 41.25 38.85 2qln s ASN 440 CO 0.08 -1.42 1.83 0.24 -2.79 0.00 0.00 177.10 175.04 2qln h MET 441 N 9.49 0.00 -0.60 0.43 2.86 -1.78 -2.34 114.93 122.99 2qln h MET 441 Ca -0.25 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.29 2qln h MET 441 Cb 1.06 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.70 2qln h MET 441 CO 1.16 0.34 -0.01 0.00 1.06 0.00 0.00 176.91 179.47 2qln h ALA 442 N 1.66 0.84 -0.62 6.32 0.00 -1.91 -1.40 119.26 124.15 2qln h ALA 442 Ca -0.00 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 2qln h ALA 442 Cb 0.70 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2qln h ALA 442 CO 0.04 0.67 0.03 0.45 0.00 0.00 0.00 179.25 180.45 2qln h HIS 443 N 0.97 1.14 -0.33 0.00 3.86 -1.83 -1.87 115.15 117.08 2qln h HIS 443 Ca 0.17 -0.18 0.02 0.00 -1.16 0.00 0.00 60.37 59.22 2qln h HIS 443 Cb 0.57 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 28.71 2qln h HIS 443 CO 0.04 0.99 0.17 1.25 0.86 0.00 0.00 177.93 181.24 2qln h LEU 444 N 0.98 0.25 -0.76 2.43 6.46 -1.29 -2.48 115.31 120.91 2qln h LEU 444 Ca 0.18 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.94 2qln h LEU 444 Cb 0.51 -0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.37 2qln h LEU 444 CO 0.02 0.19 0.40 0.00 -0.62 0.00 0.00 178.44 178.43 2qln h ILE 446 N 1.05 1.28 -0.95 0.00 2.04 -1.27 -2.50 117.51 117.15 2qln h ILE 446 Ca 0.26 -0.97 0.02 0.00 1.00 0.00 0.00 64.86 65.17 2qln h ILE 446 Cb 0.07 1.52 -0.05 0.00 -0.74 0.00 0.00 36.82 37.61 2qln h ILE 446 CO -0.04 0.30 0.63 0.00 0.00 0.00 0.00 178.15 179.03 2qln h ALA 447 N 0.75 1.24 -0.55 1.87 0.00 -1.33 -3.13 119.26 118.10 2qln h ALA 447 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qln h ALA 447 Cb 0.46 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2qln h ALA 447 CO 0.02 0.55 0.00 0.41 0.00 0.00 0.00 179.25 180.22 2qln n GLY 448 N -1.36 1.80 3.28 0.00 0.00 -0.56 -4.93 105.19 103.42 2qln n GLY 448 Ca 0.12 -0.63 -0.26 0.00 0.00 0.00 0.00 46.02 45.24 2qln n GLY 448 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qln s SER 449 N -0.95 2.64 0.03 1.61 0.01 -0.95 -3.87 113.70 112.23 2qln s SER 449 Ca 0.39 -0.57 0.27 0.00 1.31 0.00 0.00 55.95 57.35 2qln s SER 449 Cb 0.21 -0.21 0.90 0.00 0.21 0.00 0.00 66.02 67.14 2qln s SER 449 CO 0.24 0.17 1.71 0.00 0.41 0.00 0.00 173.24 175.77 2qln n HIS 450 N 1.70 0.14 -3.77 2.43 1.44 -0.65 -4.84 115.22 111.67 2qln n HIS 450 Ca -0.17 0.04 -0.13 0.00 -2.01 0.00 0.00 57.72 55.45 2qln n HIS 450 Cb 0.53 -0.48 -0.12 0.00 0.12 0.00 0.00 29.99 30.04 2qln n HIS 450 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2qln s ALA 451 N -3.02 -0.64 -0.08 1.59 0.00 -1.26 -4.53 121.76 113.82 2qln s ALA 451 Ca 0.12 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.90 2qln s ALA 451 Cb 0.17 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.83 2qln s ALA 451 CO 0.60 -0.14 -0.07 0.08 0.00 0.00 0.00 175.76 176.23 2qln s VAL 452 N 0.43 0.82 0.06 0.00 1.01 0.42 -1.31 120.40 121.83 2qln s VAL 452 Ca -0.02 -0.22 0.07 0.00 0.00 0.00 0.00 61.98 61.80 2qln s VAL 452 Cb -0.04 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 2qln s VAL 452 CO -0.02 0.31 -0.18 0.54 0.00 0.00 0.00 175.10 175.75 2qln s ASN 453 N 1.31 2.17 0.72 3.32 4.22 -0.72 -0.50 114.94 125.45 2qln s ASN 453 Ca -0.04 -0.57 -0.00 0.00 -2.14 0.00 0.00 52.86 50.11 2qln s ASN 453 Cb -0.14 -0.14 0.13 0.00 1.28 0.00 0.00 41.25 42.38 2qln s ASN 453 CO -0.03 0.06 0.99 -0.83 -2.04 0.00 0.00 177.10 175.25 2qln s GLY 454 N -1.47 1.76 0.00 0.45 0.00 -1.08 -1.70 107.32 105.28 2qln s GLY 454 Ca 0.04 -1.76 0.08 0.00 0.00 0.00 0.00 44.72 43.08 2qln s GLY 454 CO 0.02 -1.19 1.07 3.33 0.00 0.00 0.00 173.10 176.33 2qln n VAL 455 N -2.81 0.72 -3.53 1.40 0.24 -1.26 -2.14 118.33 110.95 2qln n VAL 455 Ca 0.15 -0.86 -0.12 0.00 -2.04 0.00 0.00 64.34 61.47 2qln n VAL 455 Cb 0.61 0.69 -0.04 0.00 -1.47 0.00 0.00 33.84 33.62 2qln n VAL 455 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qln s ALA 456 N -0.91 -1.83 0.19 2.33 0.00 -1.26 -0.98 121.76 119.29 2qln s ALA 456 Ca 0.15 1.27 -0.12 0.00 0.00 0.00 0.00 51.96 53.26 2qln s ALA 456 Cb 0.08 -0.09 0.19 0.00 0.00 0.00 0.00 23.12 23.30 2qln s ALA 456 CO 0.11 -0.46 1.74 -0.09 0.00 0.00 0.00 175.76 177.06 2qln h ARG 457 N 2.48 0.33 -0.46 0.00 2.43 -1.90 -0.63 114.38 116.64 2qln h ARG 457 Ca -0.23 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 58.84 2qln h ARG 457 Cb 1.19 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 2qln h ARG 457 CO 0.34 0.22 -0.06 0.97 -1.51 0.00 0.00 179.97 179.93 2qln h ILE 458 N 0.34 1.25 0.01 1.20 2.10 -1.91 -2.16 117.51 118.34 2qln h ILE 458 Ca 0.25 -1.10 -0.00 0.00 1.08 0.00 0.00 64.86 65.09 2qln h ILE 458 Cb 0.29 0.97 0.00 0.00 -1.09 0.00 0.00 36.82 36.98 2qln h ILE 458 CO -0.27 0.38 -0.00 -0.74 -1.08 0.00 0.00 178.15 176.44 2qln h HIS 459 N 0.73 -0.01 -0.64 2.19 2.76 -1.57 -1.39 115.15 117.21 2qln h HIS 459 Ca 0.13 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.31 2qln h HIS 459 Cb 0.53 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.46 2qln h HIS 459 CO 0.03 0.14 0.43 0.77 -1.30 0.00 0.00 177.93 178.00 2qln h SER 460 N -0.16 0.73 -0.42 3.26 0.02 -1.03 -0.64 113.55 115.32 2qln h SER 460 Ca -0.00 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.83 2qln h SER 460 Cb 0.15 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 2qln h SER 460 CO 0.00 0.53 -0.14 -0.33 -1.14 0.00 0.00 176.83 175.75 2qln h GLU 461 N 0.87 0.83 -0.58 3.45 4.39 -1.30 -2.67 114.58 119.57 2qln h GLU 461 Ca 0.24 -0.33 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 2qln h GLU 461 Cb -0.09 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.49 2qln h GLU 461 CO -0.05 0.96 0.33 0.82 -1.16 0.00 0.00 179.01 179.91 2qln h ILE 462 N 0.65 1.17 -0.41 3.13 2.04 -0.54 -1.21 117.51 122.34 2qln h ILE 462 Ca 0.10 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 2qln h ILE 462 Cb 0.68 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 2qln h ILE 462 CO 0.05 0.19 0.18 -0.07 0.00 0.00 0.00 178.15 178.49 2qln h LEU 463 N 0.80 0.55 -1.15 1.44 3.38 -1.01 0.42 115.31 119.74 2qln h LEU 463 Ca 0.21 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 2qln h LEU 463 Cb -0.00 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2qln h LEU 463 CO -0.04 0.55 -0.29 0.11 0.09 0.00 0.00 178.44 178.86 2qln h LYS 464 N 0.52 0.00 0.00 1.13 1.57 -1.10 -1.91 116.57 116.78 2qln h LYS 464 Ca 0.14 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.65 2qln h LYS 464 Cb 0.15 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.41 2qln h LYS 464 CO -0.01 0.29 -2.06 1.63 -0.57 0.00 0.00 179.45 178.73 2qln n LYS 465 N -3.54 0.66 0.00 3.15 5.02 -0.50 -4.02 118.16 118.93 2qln n LYS 465 Ca -0.00 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 2qln n LYS 465 Cb 0.44 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 2qln n LYS 465 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2qln n THR 466 N -2.74 0.00 0.11 -0.18 -2.24 0.12 -4.74 114.28 104.61 2qln n THR 466 Ca -0.22 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.56 2qln n THR 466 Cb 1.00 -0.03 0.30 0.00 -2.10 0.00 0.00 70.33 69.49 2qln n THR 466 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 2qln h ILE 467 N 0.00 1.25 -0.25 2.28 3.07 -1.68 -2.82 117.51 119.36 2qln h ILE 467 Ca 0.00 -1.21 -0.00 0.00 1.55 0.00 0.00 64.86 65.20 2qln h ILE 467 Cb 0.00 1.49 -0.00 0.00 -0.27 0.00 0.00 36.82 38.04 2qln h ILE 467 CO 0.00 0.36 0.00 0.49 -1.05 0.00 0.00 178.15 177.95 2qln n PHE 468 N -4.13 0.92 -0.18 0.16 0.99 -0.72 -4.77 117.46 109.72 2qln n PHE 468 Ca -0.01 -0.89 -0.01 0.00 -0.00 0.00 0.00 57.45 56.54 2qln n PHE 468 Cb 0.39 -0.31 0.06 0.00 -1.00 0.00 0.00 39.48 38.62 2qln n PHE 468 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 2qln h LYS 469 N 1.75 0.04 -0.90 -1.08 3.64 -1.47 -0.48 116.57 118.06 2qln h LYS 469 Ca 0.00 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 2qln h LYS 469 Cb 1.44 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 33.19 2qln h LYS 469 CO 0.22 0.03 0.58 -0.44 -2.27 0.00 0.00 179.45 177.56 2qln h ASP 470 N 0.04 0.94 -0.25 4.20 3.32 -1.86 -1.32 116.42 121.50 2qln h ASP 470 Ca 0.28 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.18 2qln h ASP 470 Cb 0.44 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 2qln h ASP 470 CO -0.54 0.62 -0.41 -0.26 -1.72 0.00 0.00 179.24 176.93 2qln h PHE 471 N 1.09 0.97 -0.71 4.55 0.04 -1.67 -2.41 116.94 118.79 2qln h PHE 471 Ca 0.38 -0.30 -0.04 0.00 2.80 0.00 0.00 57.97 60.81 2qln h PHE 471 Cb 0.09 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 38.00 2qln h PHE 471 CO -0.02 1.08 0.27 -0.92 -0.60 0.00 0.00 178.31 178.13 2qln h TYR 472 N 0.65 1.07 -0.42 -0.55 3.20 -0.78 0.20 116.97 120.35 2qln h TYR 472 Ca 0.05 -0.08 -0.09 0.00 3.14 0.00 0.00 58.73 61.75 2qln h TYR 472 Cb 0.98 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.91 2qln h TYR 472 CO 0.05 0.82 -0.11 0.93 -1.64 0.00 0.00 178.16 178.22 2qln h GLU 473 N 1.03 0.75 -0.05 1.82 5.08 -1.04 -1.81 114.58 120.35 2qln h GLU 473 Ca 0.24 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2qln h GLU 473 Cb 0.21 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2qln h GLU 473 CO -0.02 0.83 -0.16 1.25 -1.00 0.00 0.00 179.01 179.92 2qln h LEU 474 N 0.68 0.22 -6.30 1.33 5.85 -1.23 -3.41 115.31 112.45 2qln h LEU 474 Ca 0.12 -0.62 -0.58 0.00 0.84 0.00 0.00 57.88 57.63 2qln h LEU 474 Cb 0.58 -0.07 -0.39 0.00 0.37 0.00 0.00 40.66 41.15 2qln h LEU 474 CO 0.04 0.80 -0.93 -0.62 -0.34 0.00 0.00 178.44 177.39 2qln n GLU 475 N -4.60 0.87 0.08 1.25 1.02 0.04 -4.98 120.64 114.32 2qln n GLU 475 Ca -0.08 -3.54 0.02 0.00 -0.02 0.00 0.00 57.16 53.54 2qln n GLU 475 Cb 0.40 -1.65 0.38 0.00 -0.02 0.00 0.00 31.44 30.55 2qln n GLU 475 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2qln h PRO 476 N 4.82 0.34 0.00 3.49 0.13 -1.54 -2.73 132.00 136.51 2qln h PRO 476 Ca 0.17 -0.07 -0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2qln h PRO 476 Cb 0.85 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 2qln h PRO 476 CO 0.50 0.41 -0.01 1.12 -0.23 0.00 0.00 178.00 179.80 2qln h HIS 477 N 0.33 0.00 0.00 1.56 2.07 -1.94 -2.63 115.15 114.55 2qln h HIS 477 Ca 0.07 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.50 2qln h HIS 477 Cb 0.30 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.27 2qln h HIS 477 CO 0.01 0.01 -0.45 0.87 -3.07 0.00 0.00 177.93 175.29 2qln h LYS 478 N 0.00 0.00 -5.71 5.12 1.57 -1.72 -3.46 116.57 112.38 2qln h LYS 478 Ca -0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 2qln h LYS 478 Cb 0.02 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.24 2qln h LYS 478 CO 0.00 0.45 0.08 -0.06 -0.57 0.00 0.00 179.45 179.35 2qln s PHE 479 N -3.77 3.41 0.24 -1.35 0.08 -0.99 -0.44 117.98 115.17 2qln s PHE 479 Ca -0.01 0.95 0.02 0.00 0.12 0.00 0.00 56.93 58.01 2qln s PHE 479 Cb 0.12 -2.77 -0.05 0.00 -0.57 0.00 0.00 43.02 39.76 2qln s PHE 479 CO 0.72 -0.10 0.06 -0.65 -0.10 0.00 0.00 175.22 175.15 2qln s GLN 480 N 1.62 1.36 -0.03 0.44 -0.21 0.35 -4.96 119.66 118.22 2qln s GLN 480 Ca 0.29 -1.72 0.05 0.00 0.02 0.00 0.00 55.36 54.00 2qln s GLN 480 Cb -0.16 -0.35 -0.03 0.00 1.00 0.00 0.00 33.01 33.48 2qln s GLN 480 CO 0.11 -0.23 -0.16 1.21 -2.12 0.00 0.00 175.29 174.10 2qln s ASN 481 N -3.29 3.89 -0.34 5.90 3.84 -1.26 -2.65 114.94 121.02 2qln s ASN 481 Ca 0.34 -0.26 -0.01 0.00 0.21 0.00 0.00 52.86 53.14 2qln s ASN 481 Cb 0.07 -0.76 0.13 0.00 -0.55 0.00 0.00 41.25 40.14 2qln s ASN 481 CO 0.11 0.33 0.19 -0.54 -2.79 0.00 0.00 177.10 174.40 2qln s LYS 482 N -0.82 0.53 0.20 0.43 -0.14 -0.91 -4.95 119.74 114.08 2qln s LYS 482 Ca 0.12 -1.21 -0.32 0.00 -1.36 0.00 0.00 55.97 53.20 2qln s LYS 482 Cb -0.11 -1.36 -0.12 0.00 -1.68 0.00 0.00 37.83 34.56 2qln s LYS 482 CO 0.01 -1.16 1.71 2.41 -0.76 0.00 0.00 175.35 177.56 2qln n THR 483 N 4.28 0.00 -0.64 2.17 -1.04 -1.26 -4.25 114.28 113.54 2qln n THR 483 Ca 0.08 -0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.78 2qln n THR 483 Cb 0.38 -1.93 0.19 0.00 -1.82 0.00 0.00 70.33 67.14 2qln n THR 483 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2qln n ASN 484 N 3.91 -1.60 -3.43 8.00 5.03 -0.16 -4.65 115.26 122.36 2qln n ASN 484 Ca 0.16 0.07 -0.10 0.00 0.87 0.00 0.00 54.58 55.58 2qln n ASN 484 Cb 0.34 -1.20 -0.02 0.00 -1.02 0.00 0.00 39.78 37.88 2qln n ASN 484 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2qln s GLY 485 N -2.20 0.66 0.08 7.41 0.00 -1.26 -4.79 107.32 107.22 2qln s GLY 485 Ca 0.62 -0.94 0.05 0.00 0.00 0.00 0.00 44.72 44.45 2qln s GLY 485 CO 0.65 -0.55 -0.13 -0.26 0.00 0.00 0.00 173.10 172.80 2qln s ILE 486 N -3.20 1.11 -0.07 0.90 -4.36 0.11 -4.51 121.20 111.19 2qln s ILE 486 Ca 0.21 -1.42 -0.30 0.00 -0.26 0.00 0.00 60.65 58.89 2qln s ILE 486 Cb -0.03 -1.18 -0.03 0.00 1.25 0.00 0.00 42.46 42.48 2qln s ILE 486 CO 0.13 -0.31 1.12 0.28 0.24 0.00 0.00 174.94 176.40 2qln s THR 487 N -1.58 4.46 -0.91 8.37 -1.32 -1.26 -1.07 115.64 122.33 2qln s THR 487 Ca 0.01 1.76 0.17 0.00 -1.21 0.00 0.00 61.69 62.42 2qln s THR 487 Cb -0.08 -4.13 0.15 0.00 -1.51 0.00 0.00 72.50 66.92 2qln s THR 487 CO 0.02 0.01 1.53 -0.81 -2.21 0.00 0.00 174.62 173.16 2qln n PRO 488 N 5.06 0.04 0.12 7.08 -0.04 -1.26 -1.82 135.00 144.18 2qln n PRO 488 Ca 0.10 0.27 -0.05 0.00 -0.04 0.00 0.00 63.50 63.78 2qln n PRO 488 Cb 0.47 -1.57 -0.02 0.00 -0.04 0.00 0.00 33.50 32.34 2qln n PRO 488 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qln h ARG 489 N 0.00 -0.32 -0.71 0.54 -0.00 -1.91 -2.18 114.38 109.80 2qln h ARG 489 Ca 0.00 0.02 -0.01 0.00 -0.50 0.00 0.00 59.98 59.49 2qln h ARG 489 Cb 0.29 0.07 -0.03 0.00 0.00 0.00 0.00 29.97 30.30 2qln h ARG 489 CO 0.00 -0.22 0.41 -0.09 0.00 0.00 0.00 179.97 180.07 2qln h ARG 490 N -0.57 0.97 -0.35 0.04 2.43 -1.97 -0.31 114.38 114.63 2qln h ARG 490 Ca -0.03 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 2qln h ARG 490 Cb 0.26 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 2qln h ARG 490 CO 0.06 0.71 0.00 0.91 -1.51 0.00 0.00 179.97 180.13 2qln n TRP 491 N -4.52 0.45 0.07 2.20 7.02 -0.75 -2.92 117.44 118.99 2qln n TRP 491 Ca 0.06 -0.23 0.00 0.00 -1.02 0.00 0.00 57.50 56.31 2qln n TRP 491 Cb 0.07 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.96 2qln n TRP 491 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 2qln n LEU 492 N 0.77 -0.09 -0.06 -0.99 7.94 -0.85 -4.78 117.00 118.94 2qln n LEU 492 Ca 0.16 0.25 -0.09 0.00 -1.11 0.00 0.00 56.01 55.23 2qln n LEU 492 Cb 0.40 0.21 -0.02 0.00 0.53 0.00 0.00 43.42 44.55 2qln n LEU 492 CO 0.12 -0.65 0.93 0.58 -1.11 0.00 0.00 177.39 177.26 2qln h VAL 493 N 0.00 0.96 0.05 1.96 2.07 -1.15 0.32 116.25 120.46 2qln h VAL 493 Ca 0.00 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 2qln h VAL 493 Cb 0.00 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2qln h VAL 493 CO 0.00 0.04 -0.02 0.25 0.02 0.00 0.00 177.57 177.86 2qln h LEU 494 N 0.23 -0.05 0.00 2.57 6.46 -1.19 -3.21 115.31 120.11 2qln h LEU 494 Ca 0.11 -0.45 -0.03 0.00 -0.12 0.00 0.00 57.88 57.38 2qln h LEU 494 Cb 0.05 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 39.99 2qln h LEU 494 CO -0.09 0.44 -0.88 0.00 -0.62 0.00 0.00 178.44 177.29 2qln n ASN 496 N -2.81 1.04 -0.09 0.00 2.85 0.11 -4.87 115.26 111.48 2qln n ASN 496 Ca -0.01 -2.95 0.01 0.00 -0.11 0.00 0.00 54.58 51.52 2qln n ASN 496 Cb 0.61 -0.63 0.30 0.00 1.24 0.00 0.00 39.78 41.30 2qln n ASN 496 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2qln h PRO 497 N 3.53 0.74 -0.63 1.20 0.13 -1.65 -1.60 132.00 133.72 2qln h PRO 497 Ca 0.10 -0.08 0.06 0.00 -0.87 0.00 0.00 66.00 65.20 2qln h PRO 497 Cb 0.87 -0.15 -0.05 0.00 0.13 0.00 0.00 31.00 31.80 2qln h PRO 497 CO 0.53 0.57 0.33 0.78 -0.23 0.00 0.00 178.00 179.98 2qln h GLY 498 N 0.83 0.91 0.85 1.56 0.00 -1.91 0.06 103.07 105.37 2qln h GLY 498 Ca 0.19 -0.23 -0.10 0.00 0.00 0.00 0.00 47.33 47.19 2qln h GLY 498 CO -0.03 0.13 -0.29 -2.00 0.00 0.00 0.00 176.54 174.35 2qln h LEU 499 N 0.61 0.56 -1.13 3.11 5.85 -1.86 -2.88 115.31 119.58 2qln h LEU 499 Ca 0.29 -0.53 0.13 0.00 0.84 0.00 0.00 57.88 58.61 2qln h LEU 499 Cb 0.20 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 40.99 2qln h LEU 499 CO -0.19 0.98 0.61 0.00 -0.34 0.00 0.00 178.44 179.50 2qln h ALA 500 N 0.60 1.66 -0.13 1.25 0.00 -0.97 -2.28 119.26 119.38 2qln h ALA 500 Ca 0.02 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2qln h ALA 500 Cb 0.87 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2qln h ALA 500 CO 0.07 0.09 -0.31 1.49 0.00 0.00 0.00 179.25 180.58 2qln h GLU 501 N 0.86 0.44 -0.09 0.00 4.57 -0.98 -1.23 114.58 118.14 2qln h GLU 501 Ca 0.48 -0.30 -0.07 0.00 -1.18 0.00 0.00 59.36 58.29 2qln h GLU 501 Cb 0.60 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.22 2qln h GLU 501 CO -0.24 0.91 -0.25 -0.84 -1.18 0.00 0.00 179.01 177.41 2qln h ILE 502 N 0.03 1.22 -0.16 2.32 3.07 -1.34 0.05 117.51 122.70 2qln h ILE 502 Ca -0.00 -1.03 -0.04 0.00 1.55 0.00 0.00 64.86 65.33 2qln h ILE 502 Cb 0.92 1.43 -0.00 0.00 -0.27 0.00 0.00 36.82 38.90 2qln h ILE 502 CO 0.07 0.31 -0.06 0.40 -1.05 0.00 0.00 178.15 177.82 2qln h ILE 503 N 0.15 1.30 -0.20 0.16 2.04 -1.39 -3.19 117.51 116.38 2qln h ILE 503 Ca 0.02 -1.07 -0.02 0.00 1.00 0.00 0.00 64.86 64.79 2qln h ILE 503 Cb 0.53 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 2qln h ILE 503 CO 0.04 0.32 0.03 0.00 0.00 0.00 0.00 178.15 178.53 2qln h ALA 504 N 0.69 1.68 -0.69 1.87 0.00 -0.72 -1.59 119.26 120.49 2qln h ALA 504 Ca 0.04 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2qln h ALA 504 Cb 0.52 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2qln h ALA 504 CO 0.02 0.25 0.46 0.93 0.00 0.00 0.00 179.25 180.91 2qln h GLU 505 N 0.28 0.79 0.06 0.00 5.08 -0.99 -0.77 114.58 119.04 2qln h GLU 505 Ca 0.07 -0.05 -0.25 0.00 -1.00 0.00 0.00 59.36 58.13 2qln h GLU 505 Cb 0.15 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2qln h GLU 505 CO -0.00 0.52 -1.34 0.00 -1.00 0.00 0.00 179.01 177.19 2qln h ARG 506 N 0.81 0.13 0.00 2.33 2.47 -1.42 -3.42 114.38 115.28 2qln h ARG 506 Ca 0.28 -0.22 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 2qln h ARG 506 Cb 0.10 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 2qln h ARG 506 CO -0.08 1.11 0.00 0.44 0.56 0.00 0.00 179.97 182.00 2qln n ILE 507 N -4.11 0.86 -3.84 2.04 -5.35 -0.67 -5.12 119.36 103.17 2qln n ILE 507 Ca -0.28 -0.91 0.00 0.00 -0.27 0.00 0.00 62.75 61.29 2qln n ILE 507 Cb 0.80 0.57 0.00 0.00 -1.74 0.00 0.00 39.64 39.28 2qln n ILE 507 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qln n GLY 508 N -0.43 -2.09 0.03 3.28 0.00 -0.30 -4.66 105.19 101.03 2qln n GLY 508 Ca 0.00 -1.45 0.09 0.00 0.00 0.00 0.00 46.02 44.65 2qln n GLY 508 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qln n GLU 509 N 0.00 1.06 0.20 1.61 1.02 -1.26 -4.17 120.64 119.09 2qln n GLU 509 Ca 0.00 -0.07 0.14 0.00 -0.02 0.00 0.00 57.16 57.21 2qln n GLU 509 Cb 0.00 -1.36 0.66 0.00 -0.02 0.00 0.00 31.44 30.72 2qln n GLU 509 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2qln h GLU 510 N 0.16 0.00 0.00 3.49 4.22 -1.96 -2.84 114.58 117.65 2qln h GLU 510 Ca 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.42 2qln h GLU 510 Cb 0.44 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 2qln h GLU 510 CO 0.00 0.00 -0.10 0.10 -2.18 0.00 0.00 179.01 176.83 2qln h TYR 511 N 0.00 0.00 -0.03 0.92 -0.00 -1.80 -2.72 116.97 113.35 2qln h TYR 511 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.71 2qln h TYR 511 Cb 0.26 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.99 2qln h TYR 511 CO 0.00 0.10 -0.10 0.82 -0.00 0.00 0.00 178.16 178.98 2qln h ILE 512 N 0.00 1.09 -0.06 -0.90 2.04 -1.86 -1.90 117.51 115.92 2qln h ILE 512 Ca -0.00 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.46 2qln h ILE 512 Cb 0.39 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 2qln h ILE 512 CO 0.01 0.12 0.00 -1.54 0.00 0.00 0.00 178.15 176.74 2qln n SER 513 N -4.40 2.51 -2.87 1.72 3.41 -1.14 -4.66 113.62 108.18 2qln n SER 513 Ca -0.02 -2.72 -0.11 0.00 -0.26 0.00 0.00 58.87 55.76 2qln n SER 513 Cb 0.18 -0.32 0.01 0.00 -0.26 0.00 0.00 64.21 63.83 2qln n SER 513 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2qln n ASP 514 N -0.93 -2.32 0.27 4.04 4.64 -0.78 -5.04 116.55 116.44 2qln n ASP 514 Ca 0.12 -3.08 0.18 0.00 -1.38 0.00 0.00 54.79 50.64 2qln n ASP 514 Cb 0.56 1.24 0.89 0.00 -1.04 0.00 0.00 41.12 42.77 2qln n ASP 514 CO 0.00 0.00 0.00 0.25 -0.82 0.00 0.00 177.20 176.63 2qln h LEU 515 N 4.27 0.00 -2.49 -2.67 5.85 -1.68 -1.93 115.31 116.67 2qln h LEU 515 Ca -0.05 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.68 2qln h LEU 515 Cb 1.01 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.04 2qln h LEU 515 CO 0.30 0.00 0.05 0.44 -0.34 0.00 0.00 178.44 178.89 2qln h ASP 516 N 0.00 0.00 0.15 1.25 3.32 -1.85 -2.06 116.42 117.23 2qln h ASP 516 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2qln h ASP 516 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 2qln h ASP 516 CO 0.00 0.00 0.00 1.56 -1.72 0.00 0.00 179.24 179.08 2qln h GLN 517 N 0.00 0.00 -0.03 3.56 4.20 -1.67 -2.48 115.11 118.68 2qln h GLN 517 Ca 0.02 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.74 2qln h GLN 517 Cb 0.13 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 2qln h GLN 517 CO -0.00 0.00 0.05 -0.07 -0.67 0.00 0.00 178.83 178.14 2qln h LEU 518 N 0.00 0.00 -1.89 1.46 3.38 -1.61 -1.92 115.31 114.74 2qln h LEU 518 Ca 0.00 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.17 2qln h LEU 518 Cb 0.08 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 2qln h LEU 518 CO 0.00 0.00 0.51 0.03 0.09 0.00 0.00 178.44 179.07 2qln h ARG 519 N 0.00 0.10 -0.17 1.13 3.08 -0.90 -0.06 114.38 117.55 2qln h ARG 519 Ca 0.02 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.11 2qln h ARG 519 Cb 0.12 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 2qln h ARG 519 CO -0.00 0.07 0.29 0.87 -1.07 0.00 0.00 179.97 180.13 2qln h LYS 520 N 0.10 0.00 0.00 0.04 1.57 -1.60 -0.95 116.57 115.73 2qln h LYS 520 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 2qln h LYS 520 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2qln h LYS 520 CO -0.04 0.00 0.00 -0.07 -0.57 0.00 0.00 179.45 178.77 2qln h LEU 521 N 0.00 0.00 -1.82 2.94 3.38 -1.21 -3.00 115.31 115.60 2qln h LEU 521 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2qln h LEU 521 Cb 0.66 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2qln h LEU 521 CO -0.00 0.00 0.11 -0.07 0.09 0.00 0.00 178.44 178.57 2qln h LEU 522 N 0.00 0.20 0.00 1.67 4.07 -1.35 -1.34 115.31 118.56 2qln h LEU 522 Ca 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.95 2qln h LEU 522 Cb 0.39 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.08 2qln h LEU 522 CO 0.00 0.15 0.00 -1.54 -1.08 0.00 0.00 178.44 175.97 2qln n SER 523 N -4.51 0.00 -0.28 -0.43 3.41 -1.13 -2.80 113.62 107.88 2qln n SER 523 Ca -0.00 -1.46 0.03 0.00 -0.26 0.00 0.00 58.87 57.17 2qln n SER 523 Cb 0.08 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.10 2qln n SER 523 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2qln n TYR 524 N -0.69 0.19 0.25 7.33 4.01 -0.51 -4.73 117.16 123.01 2qln n TYR 524 Ca 0.08 -0.45 0.10 0.00 -0.16 0.00 0.00 57.90 57.47 2qln n TYR 524 Cb 0.04 -0.04 0.64 0.00 -0.31 0.00 0.00 39.34 39.68 2qln n TYR 524 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 2qln h VAL 525 N 0.94 0.76 -0.42 -0.72 3.04 -1.58 -1.50 116.25 116.76 2qln h VAL 525 Ca 0.00 -0.61 0.00 0.00 -1.01 0.00 0.00 66.70 65.08 2qln h VAL 525 Cb 0.56 1.36 0.00 0.00 -2.01 0.00 0.00 31.29 31.21 2qln h VAL 525 CO 0.00 0.15 0.00 0.47 -1.01 0.00 0.00 177.57 177.18 2qln n ASP 526 N -3.85 3.76 -4.57 3.17 10.43 -1.26 -4.86 116.55 119.38 2qln n ASP 526 Ca -0.02 -2.42 -0.43 0.00 2.57 0.00 0.00 54.79 54.49 2qln n ASP 526 Cb 0.25 -0.43 -0.04 0.00 1.84 0.00 0.00 41.12 42.74 2qln n ASP 526 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 2qln s ASP 527 N -1.24 6.52 0.28 -2.24 2.15 -0.57 -4.94 116.67 116.63 2qln s ASP 527 Ca 0.37 0.18 -0.03 0.00 0.43 0.00 0.00 52.55 53.51 2qln s ASP 527 Cb 0.25 -2.44 0.38 0.00 -0.30 0.00 0.00 42.92 40.82 2qln s ASP 527 CO 0.17 -0.96 1.92 -0.08 -0.17 0.00 0.00 175.17 176.05 2qln h GLU 528 N 8.90 1.08 -0.27 4.34 4.57 -1.92 -0.84 114.58 130.43 2qln h GLU 528 Ca -0.24 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 57.81 2qln h GLU 528 Cb 1.08 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.44 2qln h GLU 528 CO 1.00 0.77 0.08 0.00 -1.18 0.00 0.00 179.01 179.68 2qln h ALA 529 N 1.41 0.36 -0.46 2.92 0.00 -1.95 -2.20 119.26 119.33 2qln h ALA 529 Ca 0.28 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2qln h ALA 529 Cb -0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2qln h ALA 529 CO -0.05 -0.01 0.08 0.35 0.00 0.00 0.00 179.25 179.62 2qln h PHE 530 N 0.28 0.82 -0.54 0.00 3.04 -1.76 -1.14 116.94 117.63 2qln h PHE 530 Ca 0.09 -0.11 0.09 0.00 3.98 0.00 0.00 57.97 62.01 2qln h PHE 530 Cb 0.25 -0.22 -0.07 0.00 2.56 0.00 0.00 35.95 38.47 2qln h PHE 530 CO 0.01 0.76 0.16 0.82 -2.02 0.00 0.00 178.31 178.04 2qln h ILE 531 N 0.64 0.76 -0.70 1.41 2.04 -1.16 0.10 117.51 120.60 2qln h ILE 531 Ca 0.14 -0.11 -0.07 0.00 1.00 0.00 0.00 64.86 65.82 2qln h ILE 531 Cb 0.39 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 2qln h ILE 531 CO 0.01 0.06 0.16 -0.09 0.00 0.00 0.00 178.15 178.29 2qln h ARG 532 N 0.32 1.12 -0.14 2.37 2.43 -1.14 -2.33 114.38 117.02 2qln h ARG 532 Ca 0.27 -0.27 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 2qln h ARG 532 Cb 0.34 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2qln h ARG 532 CO -0.30 1.00 -0.07 -0.44 -1.51 0.00 0.00 179.97 178.64 2qln h ASP 533 N 1.06 0.30 -0.41 -3.80 3.32 -0.66 -0.96 116.42 115.26 2qln h ASP 533 Ca 0.22 -0.41 0.06 0.00 0.02 0.00 0.00 57.03 56.91 2qln h ASP 533 Cb 0.38 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.80 2qln h ASP 533 CO 0.00 0.65 0.10 0.58 -1.72 0.00 0.00 179.24 178.85 2qln h VAL 534 N -0.05 0.82 -0.20 -1.35 2.07 -0.80 -0.86 116.25 115.87 2qln h VAL 534 Ca 0.03 -0.08 -0.08 0.00 0.82 0.00 0.00 66.70 67.39 2qln h VAL 534 Cb 0.53 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 2qln h VAL 534 CO 0.02 0.04 -0.23 0.00 0.02 0.00 0.00 177.57 177.43 2qln h ALA 535 N 1.29 1.25 -0.30 1.67 0.00 -1.42 -2.83 119.26 118.92 2qln h ALA 535 Ca 0.19 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 2qln h ALA 535 Cb 0.22 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2qln h ALA 535 CO -0.24 0.49 -0.11 -0.22 0.00 0.00 0.00 179.25 179.18 2qln h LYS 536 N 0.32 0.61 -0.36 0.00 3.64 -0.54 -2.36 116.57 117.88 2qln h LYS 536 Ca 0.05 -0.25 0.01 0.00 -1.27 0.00 0.00 60.65 59.19 2qln h LYS 536 Cb 0.58 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 2qln h LYS 536 CO 0.04 0.82 0.22 0.28 -2.27 0.00 0.00 179.45 178.54 2qln h VAL 537 N 0.37 1.05 -0.39 2.00 2.07 -1.11 -1.30 116.25 118.94 2qln h VAL 537 Ca 0.07 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.48 2qln h VAL 537 Cb 0.62 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 2qln h VAL 537 CO 0.04 0.08 0.16 0.50 0.02 0.00 0.00 177.57 178.37 2qln h LYS 538 N 0.44 0.32 -0.71 1.57 1.63 -1.50 -0.94 116.57 117.37 2qln h LYS 538 Ca 0.14 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.92 2qln h LYS 538 Cb -0.00 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.52 2qln h LYS 538 CO -0.06 0.21 0.42 0.37 -3.45 0.00 0.00 179.45 176.94 2qln h GLN 539 N 0.33 0.98 -0.73 1.90 5.75 -1.06 0.38 115.11 122.66 2qln h GLN 539 Ca 0.18 -0.10 -0.02 0.00 -0.15 0.00 0.00 58.65 58.56 2qln h GLN 539 Cb 0.13 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.45 2qln h GLN 539 CO -0.16 0.71 0.39 0.93 -2.65 0.00 0.00 178.83 178.05 2qln h GLU 540 N 0.98 1.02 -0.79 1.69 5.08 -1.01 -0.44 114.58 121.11 2qln h GLU 540 Ca 0.25 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 2qln h GLU 540 Cb -0.01 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 2qln h GLU 540 CO -0.05 0.76 0.33 -0.91 -1.00 0.00 0.00 179.01 178.14 2qln h ASN 541 N 1.00 1.08 -0.33 1.42 2.35 -0.53 -1.02 115.58 119.55 2qln h ASN 541 Ca 0.26 -0.17 -0.13 0.00 -0.55 0.00 0.00 56.30 55.71 2qln h ASN 541 Cb 0.04 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 2qln h ASN 541 CO -0.04 0.95 -0.27 0.11 -1.65 0.00 0.00 177.43 176.53 2qln h LYS 542 N 1.14 0.84 -0.27 0.81 1.57 -0.62 -1.91 116.57 118.12 2qln h LYS 542 Ca 0.26 -0.37 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 2qln h LYS 542 Cb 0.20 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2qln h LYS 542 CO -0.02 1.01 0.04 -0.07 -0.57 0.00 0.00 179.45 179.83 2qln h LEU 543 N 0.72 0.44 -0.44 2.94 3.38 -0.88 -1.17 115.31 120.29 2qln h LEU 543 Ca 0.09 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.81 2qln h LEU 543 Cb 0.81 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 2qln h LEU 543 CO 0.07 0.59 0.27 0.50 0.09 0.00 0.00 178.44 179.96 2qln h LYS 544 N 0.27 0.52 -0.34 1.13 3.64 -1.13 -1.86 116.57 118.80 2qln h LYS 544 Ca 0.08 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.31 2qln h LYS 544 Cb 0.34 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2qln h LYS 544 CO 0.01 0.34 -0.28 0.35 -2.27 0.00 0.00 179.45 177.60 2qln h PHE 545 N 0.53 0.80 -0.15 1.91 3.57 -1.31 -1.43 116.94 120.86 2qln h PHE 545 Ca 0.18 -0.20 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 2qln h PHE 545 Cb 0.01 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 2qln h PHE 545 CO -0.07 0.90 0.00 0.00 -2.23 0.00 0.00 178.31 176.92 2qln h ALA 546 N 1.09 1.73 0.06 2.41 0.00 -1.01 -1.87 119.26 121.66 2qln h ALA 546 Ca 0.07 -0.09 -0.24 0.00 0.00 0.00 0.00 54.91 54.65 2qln h ALA 546 Cb 0.79 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2qln h ALA 546 CO 0.06 0.21 -1.07 0.00 0.00 0.00 0.00 179.25 178.45 2qln h ALA 547 N 1.80 0.26 -0.82 0.00 0.00 -0.94 -3.12 119.26 116.44 2qln h ALA 547 Ca 0.05 -0.79 -0.03 0.00 0.00 0.00 0.00 54.91 54.14 2qln h ALA 547 Cb 0.14 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2qln h ALA 547 CO 0.00 0.89 0.39 -0.92 0.00 0.00 0.00 179.25 179.61 2qln h TYR 548 N 0.15 1.18 -0.52 0.00 5.03 -0.85 -1.36 116.97 120.60 2qln h TYR 548 Ca -0.10 -0.06 -0.08 0.00 2.58 0.00 0.00 58.73 61.08 2qln h TYR 548 Cb 1.74 -0.37 -0.02 0.00 1.55 0.00 0.00 36.73 39.64 2qln h TYR 548 CO 0.06 0.85 0.01 -0.07 -1.32 0.00 0.00 178.16 177.69 2qln h LEU 549 N 1.17 0.83 -0.02 2.82 3.38 -1.38 -1.58 115.31 120.53 2qln h LEU 549 Ca 0.28 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2qln h LEU 549 Cb 0.12 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2qln h LEU 549 CO -0.03 0.89 -0.08 -0.33 0.09 0.00 0.00 178.44 178.98 2qln h GLU 550 N 0.81 0.09 -0.87 1.13 5.08 -1.46 -1.69 114.58 117.67 2qln h GLU 550 Ca 0.16 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 2qln h GLU 550 Cb 0.47 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 2qln h GLU 550 CO 0.02 0.70 0.46 0.00 -1.00 0.00 0.00 179.01 179.19 2qln h ARG 551 N -0.49 1.21 0.00 2.33 3.08 -1.20 -1.12 114.38 118.18 2qln h ARG 551 Ca -0.00 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.90 2qln h ARG 551 Cb 0.71 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.53 2qln h ARG 551 CO 0.02 0.90 -1.57 0.39 -1.07 0.00 0.00 179.97 178.63 2qln n GLU 552 N -4.33 0.70 0.00 0.04 4.71 -0.60 -4.70 120.64 116.46 2qln n GLU 552 Ca 0.09 -0.12 0.00 0.00 -0.01 0.00 0.00 57.16 57.12 2qln n GLU 552 Cb 0.11 -1.42 0.00 0.00 -1.01 0.00 0.00 31.44 29.12 2qln n GLU 552 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2qln n TYR 553 N -1.95 0.00 -4.04 -0.32 4.01 -0.69 -5.05 117.16 109.12 2qln n TYR 553 Ca -0.02 -0.01 -0.32 0.00 -0.16 0.00 0.00 57.90 57.40 2qln n TYR 553 Cb 0.43 -0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.46 2qln n TYR 553 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2qln n LYS 554 N -0.01 -4.28 -4.62 -0.72 4.76 -0.43 -4.93 118.16 107.93 2qln n LYS 554 Ca 0.00 0.48 -0.33 0.00 -2.87 0.00 0.00 58.31 55.60 2qln n LYS 554 Cb 0.24 -5.21 -0.11 0.00 -1.84 0.00 0.00 35.03 28.10 2qln n LYS 554 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2qln s VAL 555 N -3.38 3.50 -0.23 -0.18 -7.23 -1.13 -4.96 120.40 106.79 2qln s VAL 555 Ca 0.60 -0.68 -0.04 0.00 -1.81 0.00 0.00 61.98 60.06 2qln s VAL 555 Cb -0.31 -2.46 -0.00 0.00 0.56 0.00 0.00 36.38 34.17 2qln s VAL 555 CO 0.88 0.51 -0.04 -1.00 -0.31 0.00 0.00 175.10 175.13 2qln s HIS 556 N -0.87 2.98 0.10 2.82 0.09 -1.26 -3.55 115.29 115.60 2qln s HIS 556 Ca 0.14 -1.06 0.08 0.00 -0.00 0.00 0.00 55.06 54.22 2qln s HIS 556 Cb -0.11 -2.10 -0.03 0.00 -0.00 0.00 0.00 32.58 30.33 2qln s HIS 556 CO 0.04 -0.59 -0.20 0.96 -0.00 0.00 0.00 174.74 174.95 2qln s ILE 557 N 1.45 1.63 -0.36 0.60 -4.36 -1.26 -5.12 121.20 113.77 2qln s ILE 557 Ca 0.05 -1.50 -0.29 0.00 -0.26 0.00 0.00 60.65 58.65 2qln s ILE 557 Cb -0.15 -1.48 0.02 0.00 1.25 0.00 0.00 42.46 42.10 2qln s ILE 557 CO -0.03 -0.08 1.10 0.21 0.24 0.00 0.00 174.94 176.38 2qln s ASN 558 N -1.86 6.84 0.00 4.36 2.47 -1.26 -4.92 114.94 120.56 2qln s ASN 558 Ca 0.05 0.89 0.21 0.00 0.42 0.00 0.00 52.86 54.43 2qln s ASN 558 Cb -0.10 -2.55 0.93 0.00 -1.45 0.00 0.00 41.25 38.09 2qln s ASN 558 CO 0.04 -0.99 1.69 -2.65 -3.72 0.00 0.00 177.10 171.46 2qln n PRO 559 N 7.16 0.03 0.00 0.43 -0.02 -1.26 -2.41 135.00 138.93 2qln n PRO 559 Ca 0.12 0.13 0.13 0.00 -2.02 0.00 0.00 63.50 61.86 2qln n PRO 559 Cb 0.48 -1.50 0.44 0.00 -0.02 0.00 0.00 33.50 32.90 2qln n PRO 559 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2qln n ASN 560 N -1.48 1.44 -4.89 2.55 5.03 -1.26 -4.88 115.26 111.77 2qln n ASN 560 Ca 0.06 -1.33 -0.29 0.00 0.87 0.00 0.00 54.58 53.89 2qln n ASN 560 Cb 0.24 0.05 0.03 0.00 -1.02 0.00 0.00 39.78 39.09 2qln n ASN 560 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 2qln s SER 561 N -2.17 5.68 -0.04 6.41 1.04 -1.01 -4.94 113.70 118.67 2qln s SER 561 Ca 0.33 1.07 -0.30 0.00 0.48 0.00 0.00 55.95 57.53 2qln s SER 561 Cb 0.20 -2.00 -0.04 0.00 0.10 0.00 0.00 66.02 64.29 2qln s SER 561 CO 0.40 -1.14 1.27 -0.22 0.98 0.00 0.00 173.24 174.53 2qln s LEU 562 N -5.20 4.29 -0.65 2.42 0.20 -0.19 -4.78 118.68 114.78 2qln s LEU 562 Ca 0.56 1.92 -0.23 0.00 0.69 0.00 0.00 54.13 57.06 2qln s LEU 562 Cb -0.11 -3.56 0.06 0.00 -0.43 0.00 0.00 46.19 42.15 2qln s LEU 562 CO 0.50 -0.63 0.98 -0.36 -0.29 0.00 0.00 176.35 176.56 2qln s PHE 563 N 2.26 2.66 -0.45 5.38 2.99 -1.26 -0.87 117.98 128.69 2qln s PHE 563 Ca 0.58 -0.42 -0.14 0.00 0.00 0.00 0.00 56.93 56.95 2qln s PHE 563 Cb -0.27 -4.28 0.06 0.00 0.00 0.00 0.00 43.02 38.53 2qln s PHE 563 CO 0.23 -1.63 0.35 0.34 -0.00 0.00 0.00 175.22 174.51 2qln s ASP 564 N 3.54 6.06 -0.05 1.36 3.68 0.16 -1.49 116.67 129.93 2qln s ASP 564 Ca 0.24 -1.22 0.04 0.00 2.13 0.00 0.00 52.55 53.74 2qln s ASP 564 Cb -0.15 -2.15 0.00 0.00 -1.45 0.00 0.00 42.92 39.17 2qln s ASP 564 CO 0.12 -0.57 -0.16 0.54 0.13 0.00 0.00 175.17 175.23 2qln s VAL 565 N 1.63 1.34 -0.30 1.11 0.11 -0.48 -0.05 120.40 123.76 2qln s VAL 565 Ca 0.04 -0.65 0.01 0.00 -2.93 0.00 0.00 61.98 58.45 2qln s VAL 565 Cb -0.23 -1.16 0.09 0.00 -1.53 0.00 0.00 36.38 33.55 2qln s VAL 565 CO 0.07 0.39 0.05 -1.58 -3.33 0.00 0.00 175.10 170.70 2qln s GLN 566 N 0.17 1.13 -0.12 1.54 0.74 -0.28 -1.94 119.66 120.90 2qln s GLN 566 Ca -0.06 -1.29 0.02 0.00 0.05 0.00 0.00 55.36 54.08 2qln s GLN 566 Cb -0.12 -2.50 0.01 0.00 1.10 0.00 0.00 33.01 31.50 2qln s GLN 566 CO 0.02 -0.88 -0.18 0.14 -0.55 0.00 0.00 175.29 173.84 2qln s VAL 567 N 1.35 1.74 0.00 1.34 -7.23 -1.26 -1.72 120.40 114.62 2qln s VAL 567 Ca 0.07 -0.79 0.00 0.00 -1.81 0.00 0.00 61.98 59.45 2qln s VAL 567 Cb -0.18 -1.56 0.00 0.00 0.56 0.00 0.00 36.38 35.20 2qln s VAL 567 CO -0.15 0.49 0.00 2.29 -0.31 0.00 0.00 175.10 177.41 2qln n LYS 568 N 4.13 0.00 -1.60 4.82 2.85 -0.88 -4.98 118.16 122.50 2qln n LYS 568 Ca -0.19 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.68 2qln n LYS 568 Cb 0.51 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 34.93 2qln n LYS 568 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2qln n ARG 569 N -0.46 1.00 -2.62 -1.58 5.12 -1.26 -3.98 116.66 112.88 2qln n ARG 569 Ca 0.00 0.38 -0.43 0.00 -1.93 0.00 0.00 57.85 55.87 2qln n ARG 569 Cb 0.00 -2.10 -0.02 0.00 -1.16 0.00 0.00 32.46 29.18 2qln n ARG 569 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2qln s ILE 570 N -1.47 4.40 0.01 0.55 -1.09 -0.30 -4.90 121.20 118.39 2qln s ILE 570 Ca 0.71 1.55 -0.01 0.00 -2.23 0.00 0.00 60.65 60.68 2qln s ILE 570 Cb -0.45 -4.47 -0.01 0.00 -1.58 0.00 0.00 42.46 35.94 2qln s ILE 570 CO 0.51 -0.66 -0.01 -1.00 -1.23 0.00 0.00 174.94 172.55 2qln s HIS 571 N 3.95 0.18 0.24 3.97 3.76 -1.26 -4.69 115.29 121.44 2qln s HIS 571 Ca 0.47 -0.36 -0.06 0.00 -0.15 0.00 0.00 55.06 54.95 2qln s HIS 571 Cb -0.11 -0.13 0.27 0.00 1.11 0.00 0.00 32.58 33.72 2qln s HIS 571 CO 0.21 -0.16 1.90 0.93 -0.85 0.00 0.00 174.74 176.77 2qln h GLU 572 N 4.96 1.16 0.00 1.40 5.08 -1.97 -2.67 114.58 122.54 2qln h GLU 572 Ca -0.30 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 57.94 2qln h GLU 572 Cb 1.21 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 2qln h GLU 572 CO 0.43 0.77 -0.22 0.10 -1.00 0.00 0.00 179.01 179.08 2qln h TYR 573 N 1.19 0.00 0.00 4.33 -0.00 -1.97 -2.20 116.97 118.32 2qln h TYR 573 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.09 2qln h TYR 573 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.69 2qln h TYR 573 CO -0.01 0.22 0.00 1.63 -0.00 0.00 0.00 178.16 180.00 2qln n LYS 574 N -4.05 0.10 -3.69 0.10 5.02 -1.01 -2.91 118.16 111.72 2qln n LYS 574 Ca -0.02 0.15 -0.24 0.00 -2.02 0.00 0.00 58.31 56.18 2qln n LYS 574 Cb 0.29 -1.64 0.05 0.00 -0.02 0.00 0.00 35.03 33.72 2qln n LYS 574 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qln n ARG 575 N -1.82 -6.09 -0.05 1.97 1.74 -0.83 -4.00 116.66 107.58 2qln n ARG 575 Ca 0.06 0.70 0.24 0.00 -0.77 0.00 0.00 57.85 58.07 2qln n ARG 575 Cb 0.33 -5.55 0.71 0.00 -1.02 0.00 0.00 32.46 26.94 2qln n ARG 575 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2qln h GLN 576 N -2.12 0.00 -0.53 5.56 7.50 -1.85 -1.80 115.11 121.87 2qln h GLN 576 Ca -0.59 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 58.52 2qln h GLN 576 Cb 1.36 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 28.87 2qln h GLN 576 CO 0.58 0.00 0.16 -0.07 -1.50 0.00 0.00 178.83 178.00 2qln h LEU 577 N 0.00 0.74 -0.51 1.46 3.38 -1.90 -1.33 115.31 117.14 2qln h LEU 577 Ca 0.31 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 2qln h LEU 577 Cb 1.30 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 2qln h LEU 577 CO -0.00 0.70 0.14 0.25 0.09 0.00 0.00 178.44 179.62 2qln h LEU 578 N 0.78 0.76 -0.47 1.67 5.85 -1.70 -1.84 115.31 120.36 2qln h LEU 578 Ca 0.18 -0.22 0.07 0.00 0.84 0.00 0.00 57.88 58.74 2qln h LEU 578 Cb 0.24 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.01 2qln h LEU 578 CO -0.01 0.79 0.14 -1.13 -0.34 0.00 0.00 178.44 177.89 2qln h ASN 579 N 0.70 0.10 -1.00 1.25 -0.00 -1.43 -2.21 115.58 112.99 2qln h ASN 579 Ca 0.16 0.07 0.07 0.00 -0.00 0.00 0.00 56.30 56.60 2qln h ASN 579 Cb 0.31 0.07 -0.07 0.00 -0.00 0.00 0.00 38.32 38.63 2qln h ASN 579 CO -0.00 0.09 0.65 0.00 -0.00 0.00 0.00 177.43 178.17 2qln h LEU 581 N 1.16 0.80 -0.40 0.00 3.38 -0.92 -2.10 115.31 117.24 2qln h LEU 581 Ca 0.44 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 2qln h LEU 581 Cb 0.19 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2qln h LEU 581 CO -0.18 0.93 0.09 -0.74 0.09 0.00 0.00 178.44 178.63 2qln h HIS 582 N 0.73 0.68 -0.27 1.13 2.76 -0.83 -1.61 115.15 117.74 2qln h HIS 582 Ca 0.12 -0.09 0.05 0.00 -2.20 0.00 0.00 60.37 58.25 2qln h HIS 582 Cb 0.60 -0.19 -0.04 0.00 1.55 0.00 0.00 27.41 29.33 2qln h HIS 582 CO 0.03 0.66 -0.00 0.28 -1.30 0.00 0.00 177.93 177.60 2qln h VAL 583 N 0.50 0.80 -0.58 5.26 2.07 -1.07 -0.60 116.25 122.63 2qln h VAL 583 Ca 0.12 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 67.57 2qln h VAL 583 Cb 0.33 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 2qln h VAL 583 CO 0.00 0.01 0.16 0.40 0.02 0.00 0.00 177.57 178.17 2qln h ILE 584 N 0.08 1.23 -0.15 4.57 2.04 -1.36 -1.58 117.51 122.34 2qln h ILE 584 Ca 0.13 -0.81 0.01 0.00 1.00 0.00 0.00 64.86 65.20 2qln h ILE 584 Cb 0.17 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 2qln h ILE 584 CO -0.22 0.31 0.05 0.74 0.00 0.00 0.00 178.15 179.03 2qln h THR 585 N 0.86 0.97 -0.32 -0.27 2.02 -0.68 0.16 112.91 115.65 2qln h THR 585 Ca 0.19 -0.04 0.03 0.00 0.77 0.00 0.00 66.41 67.36 2qln h THR 585 Cb 0.28 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 2qln h THR 585 CO -0.01 0.02 0.12 -0.07 0.37 0.00 0.00 175.52 175.96 2qln h LEU 586 N 0.13 0.14 -0.52 2.58 4.07 -0.82 -1.14 115.31 119.75 2qln h LEU 586 Ca 0.07 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.06 2qln h LEU 586 Cb 0.04 0.01 -0.03 0.00 1.08 0.00 0.00 40.66 41.77 2qln h LEU 586 CO -0.07 0.11 0.33 0.22 -1.08 0.00 0.00 178.44 177.96 2qln h TYR 587 N 0.26 0.66 -0.54 1.13 5.03 -1.08 -1.64 116.97 120.78 2qln h TYR 587 Ca 0.14 0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.38 2qln h TYR 587 Cb 0.10 -0.22 -0.02 0.00 1.55 0.00 0.00 36.73 38.14 2qln h TYR 587 CO -0.13 0.43 0.01 -0.91 -1.32 0.00 0.00 178.16 176.23 2qln h ASN 588 N 0.70 0.89 -0.70 -2.11 2.35 -0.66 -1.23 115.58 114.82 2qln h ASN 588 Ca 0.19 -0.23 -0.06 0.00 -0.55 0.00 0.00 56.30 55.64 2qln h ASN 588 Cb -0.06 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.04 2qln h ASN 588 CO -0.04 0.95 0.18 0.03 -1.65 0.00 0.00 177.43 176.90 2qln h ARG 589 N 0.85 1.11 -0.24 0.81 3.08 -1.02 -0.63 114.38 118.34 2qln h ARG 589 Ca 0.16 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 2qln h ARG 589 Cb 0.49 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 2qln h ARG 589 CO 0.02 0.98 0.11 0.82 -1.07 0.00 0.00 179.97 180.83 2qln h ILE 590 N 1.05 1.15 -0.16 2.04 2.04 -1.03 -1.50 117.51 121.10 2qln h ILE 590 Ca 0.22 -0.46 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 2qln h ILE 590 Cb 0.35 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 2qln h ILE 590 CO -0.00 0.15 -0.02 0.11 0.00 0.00 0.00 178.15 178.39 2qln h LYS 591 N 0.25 0.24 -0.19 2.37 1.79 -1.05 -1.47 116.57 118.51 2qln h LYS 591 Ca 0.08 -0.04 -0.19 0.00 -2.18 0.00 0.00 60.65 58.33 2qln h LYS 591 Cb 0.14 -0.04 0.01 0.00 -1.58 0.00 0.00 32.23 30.76 2qln h LYS 591 CO -0.01 0.28 -0.63 -0.22 -1.08 0.00 0.00 179.45 177.79 2qln h LYS 592 N 0.23 0.76 -2.47 3.15 3.64 -0.88 -3.39 116.57 117.62 2qln h LYS 592 Ca 0.05 -0.57 -0.59 0.00 -1.27 0.00 0.00 60.65 58.28 2qln h LYS 592 Cb 0.20 0.10 -0.39 0.00 -0.41 0.00 0.00 32.23 31.73 2qln h LYS 592 CO 0.01 1.18 -0.87 0.39 -2.27 0.00 0.00 179.45 177.89 2qln n GLU 593 N -4.04 0.86 0.10 1.90 1.02 -0.58 -5.00 120.64 114.89 2qln n GLU 593 Ca -0.07 -3.63 0.02 0.00 -0.02 0.00 0.00 57.16 53.47 2qln n GLU 593 Cb 0.67 -1.79 0.38 0.00 -0.02 0.00 0.00 31.44 30.67 2qln n GLU 593 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2qln h PRO 594 N 5.18 0.29 -0.51 3.49 0.11 -1.49 -2.86 132.00 136.22 2qln h PRO 594 Ca 0.20 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.25 2qln h PRO 594 Cb 0.85 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.91 2qln h PRO 594 CO 0.51 0.40 0.00 0.09 -0.21 0.00 0.00 178.00 178.79 2qln n ASN 595 N -4.29 2.86 -4.80 -2.05 4.13 -1.26 -4.86 115.26 104.99 2qln n ASN 595 Ca -0.00 -1.98 -0.38 0.00 1.68 0.00 0.00 54.58 53.90 2qln n ASN 595 Cb 0.25 -0.34 -0.06 0.00 -1.54 0.00 0.00 39.78 38.10 2qln n ASN 595 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2qln s LYS 596 N -1.32 4.34 0.12 3.52 2.36 -1.08 -5.05 119.74 122.62 2qln s LYS 596 Ca 0.36 0.91 -0.30 0.00 -2.55 0.00 0.00 55.97 54.40 2qln s LYS 596 Cb 0.19 -3.13 -0.06 0.00 -1.05 0.00 0.00 37.83 33.78 2qln s LYS 596 CO 0.25 0.54 1.10 0.12 1.55 0.00 0.00 175.35 178.90 2qln s PHE 597 N -1.26 3.59 0.06 4.03 5.36 -1.26 -5.05 117.98 123.44 2qln s PHE 597 Ca 0.36 1.55 0.05 0.00 -0.96 0.00 0.00 56.93 57.94 2qln s PHE 597 Cb -0.20 -3.27 -0.03 0.00 -0.34 0.00 0.00 43.02 39.19 2qln s PHE 597 CO 0.22 -0.62 -0.14 0.14 -1.46 0.00 0.00 175.22 173.36 2qln s VAL 598 N 0.30 1.14 0.00 3.12 -7.23 -1.26 -5.11 120.40 111.36 2qln s VAL 598 Ca 0.52 -1.16 -0.30 0.00 -1.81 0.00 0.00 61.98 59.23 2qln s VAL 598 Cb -0.28 -1.06 -0.07 0.00 0.56 0.00 0.00 36.38 35.53 2qln s VAL 598 CO 0.32 -0.10 1.67 -0.69 -0.31 0.00 0.00 175.10 176.00 2qln s VAL 599 N -1.05 3.33 0.39 1.32 1.01 -1.26 -4.96 120.40 119.19 2qln s VAL 599 Ca 0.00 0.57 -0.27 0.00 0.00 0.00 0.00 61.98 62.29 2qln s VAL 599 Cb -0.09 -3.37 -0.09 0.00 0.00 0.00 0.00 36.38 32.83 2qln s VAL 599 CO 0.02 -0.03 1.32 -2.84 0.00 0.00 0.00 175.10 173.57 2qln s PRO 600 N 3.48 4.04 0.00 2.72 0.02 -1.26 -4.94 135.00 139.06 2qln s PRO 600 Ca 0.75 2.21 0.03 0.00 0.02 0.00 0.00 61.00 64.00 2qln s PRO 600 Cb -0.37 -2.82 -0.01 0.00 0.02 0.00 0.00 34.50 31.32 2qln s PRO 600 CO 0.32 -0.46 -0.08 1.03 -0.33 0.00 0.00 177.00 177.48 2qln s ARG 601 N -2.16 0.63 -0.33 5.54 0.52 -0.25 -1.02 118.95 121.88 2qln s ARG 601 Ca 0.55 -0.35 -0.08 0.00 -0.52 0.00 0.00 55.73 55.33 2qln s ARG 601 Cb -0.39 -0.59 0.02 0.00 0.52 0.00 0.00 34.95 34.51 2qln s ARG 601 CO 0.51 0.16 0.13 0.99 0.02 0.00 0.00 175.30 177.10 2qln s THR 602 N -0.34 4.12 -0.34 0.02 2.01 -0.05 -1.78 115.64 119.28 2qln s THR 602 Ca 0.02 -0.85 -0.16 0.00 0.31 0.00 0.00 61.69 61.01 2qln s THR 602 Cb -0.04 -3.23 -0.01 0.00 0.01 0.00 0.00 72.50 69.22 2qln s THR 602 CO -0.00 -0.08 0.39 -0.69 -0.69 0.00 0.00 174.62 173.55 2qln s VAL 603 N 1.49 5.14 -0.18 3.82 1.01 0.11 -0.67 120.40 131.13 2qln s VAL 603 Ca 0.01 0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.13 2qln s VAL 603 Cb -0.18 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 2qln s VAL 603 CO 0.04 -0.09 -0.09 -0.04 0.00 0.00 0.00 175.10 174.92 2qln s MET 604 N 2.09 3.36 -0.06 2.72 -1.94 0.93 -0.56 119.30 125.85 2qln s MET 604 Ca 0.13 -0.66 0.04 0.00 -1.71 0.00 0.00 55.69 53.49 2qln s MET 604 Cb -0.16 -2.81 0.00 0.00 2.01 0.00 0.00 34.83 33.87 2qln s MET 604 CO 0.12 -0.01 -0.18 0.42 -0.01 0.00 0.00 175.02 175.36 2qln s ILE 605 N 0.94 1.56 0.04 2.53 1.01 -0.29 -1.12 121.20 125.87 2qln s ILE 605 Ca -0.02 -0.76 -0.09 0.00 0.00 0.00 0.00 60.65 59.79 2qln s ILE 605 Cb -0.15 -1.36 0.00 0.00 0.01 0.00 0.00 42.46 40.97 2qln s ILE 605 CO -0.00 0.45 0.19 -0.83 0.00 0.00 0.00 174.94 174.74 2qln s GLY 606 N 0.27 0.05 0.00 6.18 0.00 -0.70 0.14 107.32 113.27 2qln s GLY 606 Ca -0.11 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 44.27 2qln s GLY 606 CO 0.04 -0.51 0.00 0.61 0.00 0.00 0.00 173.10 173.24 2qln n GLY 607 N 0.61 3.91 3.88 0.20 0.00 -1.25 -2.07 105.19 110.47 2qln n GLY 607 Ca -0.18 -0.93 -0.32 0.00 0.00 0.00 0.00 46.02 44.59 2qln n GLY 607 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qln s LYS 608 N -2.67 3.77 -0.09 1.61 1.02 -1.26 -4.66 119.74 117.46 2qln s LYS 608 Ca 0.00 0.22 -0.02 0.00 0.02 0.00 0.00 55.97 56.19 2qln s LYS 608 Cb 0.00 -2.67 -0.03 0.00 -0.52 0.00 0.00 37.83 34.60 2qln s LYS 608 CO 0.00 0.34 0.01 0.00 -0.92 0.00 0.00 175.35 174.78 2qln s ALA 609 N -1.80 3.31 0.22 5.17 0.00 -1.26 -1.15 121.76 126.25 2qln s ALA 609 Ca 0.46 -0.80 -0.32 0.00 0.00 0.00 0.00 51.96 51.31 2qln s ALA 609 Cb -0.11 -1.52 -0.13 0.00 0.00 0.00 0.00 23.12 21.36 2qln s ALA 609 CO 0.22 0.57 1.63 0.00 0.00 0.00 0.00 175.76 178.17 2qln n ALA 610 N 2.22 2.25 -0.34 0.00 0.00 -1.26 -4.87 120.51 118.50 2qln n ALA 610 Ca -0.19 0.41 0.32 0.00 0.00 0.00 0.00 53.44 53.98 2qln n ALA 610 Cb 0.54 -2.44 0.68 0.00 0.00 0.00 0.00 19.45 18.22 2qln n ALA 610 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2qln h PRO 611 N 5.82 0.11 -0.23 0.00 0.11 -1.99 -0.68 132.00 135.15 2qln h PRO 611 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2qln h PRO 611 Cb 1.23 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2qln h PRO 611 CO 0.88 0.07 0.00 0.41 -0.21 0.00 0.00 178.00 179.15 2qln n GLY 612 N -1.68 1.13 3.43 -0.55 0.00 -1.26 -4.83 105.19 101.43 2qln n GLY 612 Ca 0.27 -0.64 -0.44 0.00 0.00 0.00 0.00 46.02 45.20 2qln n GLY 612 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2qln s TYR 613 N -1.72 3.17 0.11 1.61 6.04 -0.26 -4.91 117.35 121.38 2qln s TYR 613 Ca 0.35 -1.37 -0.21 0.00 0.04 0.00 0.00 57.07 55.88 2qln s TYR 613 Cb 0.21 -4.19 -0.10 0.00 -1.04 0.00 0.00 41.96 36.84 2qln s TYR 613 CO 0.30 -1.41 1.76 1.25 -1.54 0.00 0.00 175.55 175.91 2qln h HIS 614 N 8.77 0.15 -0.94 4.97 -0.00 -1.88 -2.40 115.15 123.83 2qln h HIS 614 Ca 0.07 0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.46 2qln h HIS 614 Cb 1.04 -0.05 -0.05 0.00 -0.00 0.00 0.00 27.41 28.35 2qln h HIS 614 CO 1.10 0.10 0.62 1.98 -0.00 0.00 0.00 177.93 181.73 2qln h MET 615 N 0.16 1.20 -0.68 5.26 1.85 -1.98 -1.34 114.93 119.39 2qln h MET 615 Ca 0.04 -0.07 -0.05 0.00 -0.61 0.00 0.00 59.70 59.01 2qln h MET 615 Cb -0.01 -0.27 -0.03 0.00 0.43 0.00 0.00 31.60 31.72 2qln h MET 615 CO -0.01 0.80 0.22 0.00 -0.40 0.00 0.00 176.91 177.52 2qln h ALA 616 N 1.43 1.09 -0.07 0.39 0.00 -1.84 -1.11 119.26 119.15 2qln h ALA 616 Ca 0.35 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2qln h ALA 616 Cb -0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 2qln h ALA 616 CO -0.09 0.62 -0.42 0.87 0.00 0.00 0.00 179.25 180.23 2qln h LYS 617 N 1.01 0.15 -0.25 0.00 1.57 -0.88 -2.51 116.57 115.67 2qln h LYS 617 Ca 0.22 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.80 2qln h LYS 617 Cb 0.28 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2qln h LYS 617 CO -0.01 0.55 -0.38 0.52 -0.57 0.00 0.00 179.45 179.57 2qln h MET 618 N 0.13 0.56 -0.62 3.15 2.86 -0.88 -2.61 114.93 117.52 2qln h MET 618 Ca 0.01 -0.27 -0.04 0.00 -2.06 0.00 0.00 59.70 57.34 2qln h MET 618 Cb 0.80 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.43 2qln h MET 618 CO 0.06 0.85 0.23 0.82 1.06 0.00 0.00 176.91 179.93 2qln h ILE 619 N 0.47 1.24 -0.16 -1.22 2.04 -0.94 -0.44 117.51 118.51 2qln h ILE 619 Ca 0.04 -0.77 -0.00 0.00 1.00 0.00 0.00 64.86 65.13 2qln h ILE 619 Cb 0.87 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 2qln h ILE 619 CO 0.07 0.30 0.10 0.40 0.00 0.00 0.00 178.15 179.02 2qln h ILE 620 N 0.88 1.07 -0.61 -0.67 2.04 -1.40 -1.47 117.51 117.36 2qln h ILE 620 Ca 0.21 -0.17 0.05 0.00 1.00 0.00 0.00 64.86 65.95 2qln h ILE 620 Cb 0.24 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 2qln h ILE 620 CO -0.01 0.07 0.32 0.50 0.00 0.00 0.00 178.15 179.03 2qln h LYS 621 N 0.18 0.59 -0.48 2.37 1.63 -1.28 -2.09 116.57 117.49 2qln h LYS 621 Ca 0.06 -0.04 0.05 0.00 -0.85 0.00 0.00 60.65 59.87 2qln h LYS 621 Cb 0.02 -0.13 -0.05 0.00 -0.60 0.00 0.00 32.23 31.47 2qln h LYS 621 CO -0.01 0.39 0.22 1.25 -3.45 0.00 0.00 179.45 177.85 2qln h LEU 622 N 0.61 0.29 -0.20 5.20 6.46 -0.80 0.41 115.31 127.28 2qln h LEU 622 Ca 0.27 0.04 0.01 0.00 -0.12 0.00 0.00 57.88 58.08 2qln h LEU 622 Cb 0.17 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.07 2qln h LEU 622 CO -0.18 0.20 0.10 0.40 -0.62 0.00 0.00 178.44 178.34 2qln h ILE 623 N 0.43 0.99 -0.47 4.05 2.04 -0.77 0.21 117.51 123.99 2qln h ILE 623 Ca 0.22 -0.07 -0.06 0.00 1.00 0.00 0.00 64.86 65.94 2qln h ILE 623 Cb 0.16 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 2qln h ILE 623 CO -0.18 0.04 0.03 0.71 0.00 0.00 0.00 178.15 178.75 2qln h THR 624 N 0.21 1.23 -0.60 -0.27 1.35 -1.15 -2.16 112.91 111.51 2qln h THR 624 Ca 0.08 -0.92 -0.08 0.00 -0.55 0.00 0.00 66.41 64.94 2qln h THR 624 Cb 0.02 0.84 -0.02 0.00 -1.73 0.00 0.00 68.15 67.26 2qln h THR 624 CO -0.06 0.33 0.08 0.00 -0.25 0.00 0.00 175.52 175.62 2qln h ALA 625 N 1.32 0.80 -0.06 6.62 0.00 -0.40 -0.78 119.26 126.77 2qln h ALA 625 Ca 0.15 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2qln h ALA 625 Cb 0.39 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2qln h ALA 625 CO 0.01 0.57 0.03 0.82 0.00 0.00 0.00 179.25 180.69 2qln h ILE 626 N 0.91 1.04 -0.92 0.00 2.04 -0.78 -2.87 117.51 116.93 2qln h ILE 626 Ca 0.18 -0.11 0.11 0.00 1.00 0.00 0.00 64.86 66.03 2qln h ILE 626 Cb 0.45 1.02 -0.08 0.00 -0.74 0.00 0.00 36.82 37.47 2qln h ILE 626 CO 0.02 0.04 0.56 1.23 0.00 0.00 0.00 178.15 179.99 2qln h GLY 627 N 0.04 1.47 0.84 5.37 0.00 -1.19 0.81 103.07 110.42 2qln h GLY 627 Ca 0.02 -0.37 0.06 0.00 0.00 0.00 0.00 47.33 47.04 2qln h GLY 627 CO -0.00 0.15 0.61 -0.55 0.00 0.00 0.00 176.54 176.75 2qln h ASP 628 N 0.90 0.96 0.02 0.19 3.45 -0.94 0.89 116.42 121.88 2qln h ASP 628 Ca 0.45 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.91 2qln h ASP 628 Cb 0.42 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 38.99 2qln h ASP 628 CO -0.26 0.62 -0.01 0.58 -1.57 0.00 0.00 179.24 178.61 2qln h VAL 629 N 1.09 1.47 -0.17 -1.35 2.07 -1.18 -3.36 116.25 114.82 2qln h VAL 629 Ca 0.40 -1.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.01 2qln h VAL 629 Cb 0.16 2.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 2qln h VAL 629 CO -0.15 0.46 -0.00 0.58 0.02 0.00 0.00 177.57 178.48 2qln h VAL 630 N -0.89 1.26 0.00 2.57 2.07 -0.70 -3.07 116.25 117.48 2qln h VAL 630 Ca -0.00 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.66 2qln h VAL 630 Cb 0.77 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 2qln h VAL 630 CO 0.00 0.26 0.00 0.59 0.02 0.00 0.00 177.57 178.44 2qln n ASN 631 N -4.73 0.32 -0.19 0.57 3.02 0.29 -2.91 115.26 111.63 2qln n ASN 631 Ca -0.05 0.58 0.02 0.00 -0.03 0.00 0.00 54.58 55.10 2qln n ASN 631 Cb 0.22 -0.65 0.04 0.00 -0.61 0.00 0.00 39.78 38.78 2qln n ASN 631 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2qln n HIS 632 N -1.86 0.10 -2.82 3.10 8.25 -1.18 -4.96 115.22 115.84 2qln n HIS 632 Ca 0.03 -0.31 -0.42 0.00 -0.26 0.00 0.00 57.72 56.75 2qln n HIS 632 Cb 0.19 -0.03 -0.04 0.00 1.12 0.00 0.00 29.99 31.23 2qln n HIS 632 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2qln s ASP 633 N -0.74 6.74 0.38 0.41 -1.08 -1.15 -4.93 116.67 116.30 2qln s ASP 633 Ca 0.07 0.73 0.08 0.00 -0.52 0.00 0.00 52.55 52.90 2qln s ASP 633 Cb 0.04 -2.46 0.77 0.00 -1.46 0.00 0.00 42.92 39.81 2qln s ASP 633 CO 0.05 -0.76 1.94 -0.65 0.52 0.00 0.00 175.17 176.27 2qln h PRO 634 N 8.22 0.37 -0.21 4.34 0.11 -1.93 -2.36 132.00 140.55 2qln h PRO 634 Ca -0.23 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 65.75 2qln h PRO 634 Cb 1.08 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 2qln h PRO 634 CO 0.95 0.41 -0.17 0.28 -0.21 0.00 0.00 178.00 179.26 2qln h VAL 635 N 0.36 1.22 -0.08 3.15 2.07 -1.97 -3.05 116.25 117.96 2qln h VAL 635 Ca 0.08 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 2qln h VAL 635 Cb 0.26 1.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2qln h VAL 635 CO 0.01 0.32 -0.03 0.58 0.02 0.00 0.00 177.57 178.46 2qln h VAL 636 N 0.33 1.31 0.00 2.57 2.07 -1.77 -3.49 116.25 117.28 2qln h VAL 636 Ca 0.06 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.56 2qln h VAL 636 Cb 0.50 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 2qln h VAL 636 CO 0.03 0.28 0.00 0.61 0.02 0.00 0.00 177.57 178.51 2qln n GLY 637 N -0.02 1.92 0.78 2.17 0.00 -1.15 -2.85 105.19 106.03 2qln n GLY 637 Ca -0.07 -0.59 0.04 0.00 0.00 0.00 0.00 46.02 45.41 2qln n GLY 637 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qln n ASP 638 N 1.84 2.19 0.09 1.61 5.75 -1.26 -4.22 116.55 122.55 2qln n ASP 638 Ca 0.00 -2.15 -0.02 0.00 -0.01 0.00 0.00 54.79 52.61 2qln n ASP 638 Cb 0.00 -0.35 -0.05 0.00 -1.03 0.00 0.00 41.12 39.70 2qln n ASP 638 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 2qln h ARG 639 N 1.81 0.00 -3.03 0.11 3.08 -1.87 -3.43 114.38 111.05 2qln h ARG 639 Ca 0.00 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.83 2qln h ARG 639 Cb 0.69 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 30.42 2qln h ARG 639 CO 0.08 0.68 -0.54 -1.17 -1.07 0.00 0.00 179.97 177.95 2qln s LEU 640 N -6.49 0.20 -0.03 3.04 2.96 -1.26 -1.09 118.68 116.01 2qln s LEU 640 Ca 0.02 0.48 0.02 0.00 -0.22 0.00 0.00 54.13 54.43 2qln s LEU 640 Cb 0.09 0.60 0.01 0.00 0.50 0.00 0.00 46.19 47.38 2qln s LEU 640 CO 0.78 -0.19 -0.08 -0.13 -1.32 0.00 0.00 176.35 175.41 2qln s ARG 641 N 1.71 0.96 -0.21 1.98 1.81 -0.73 -4.67 118.95 119.79 2qln s ARG 641 Ca -0.05 -0.26 0.00 0.00 -1.72 0.00 0.00 55.73 53.71 2qln s ARG 641 Cb -0.11 -0.90 0.02 0.00 -0.45 0.00 0.00 34.95 33.51 2qln s ARG 641 CO -0.08 0.06 -0.14 0.08 -0.68 0.00 0.00 175.30 174.54 2qln s VAL 642 N 0.40 2.42 -0.08 3.52 1.01 -1.26 0.06 120.40 126.47 2qln s VAL 642 Ca -0.06 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 60.98 2qln s VAL 642 Cb -0.10 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.17 2qln s VAL 642 CO 0.01 0.39 -0.17 -0.63 0.00 0.00 0.00 175.10 174.70 2qln s ILE 643 N 1.30 1.50 -0.31 2.22 1.09 0.28 -4.58 121.20 122.70 2qln s ILE 643 Ca 0.03 -0.69 -0.19 0.00 -1.10 0.00 0.00 60.65 58.70 2qln s ILE 643 Cb -0.15 -1.33 -0.01 0.00 -1.06 0.00 0.00 42.46 39.91 2qln s ILE 643 CO -0.09 0.44 0.56 0.12 -0.10 0.00 0.00 174.94 175.86 2qln s PHE 644 N 0.54 3.22 -0.57 3.97 2.19 -1.26 -1.13 117.98 124.94 2qln s PHE 644 Ca -0.16 0.47 -0.28 0.00 0.33 0.00 0.00 56.93 57.29 2qln s PHE 644 Cb -0.17 -2.89 0.03 0.00 -1.31 0.00 0.00 43.02 38.68 2qln s PHE 644 CO 0.06 -0.44 1.26 -0.51 1.83 0.00 0.00 175.22 177.42 2qln s LEU 645 N 2.45 3.44 0.30 6.12 1.02 0.12 -4.96 118.68 127.18 2qln s LEU 645 Ca 0.22 0.19 -0.29 0.00 0.02 0.00 0.00 54.13 54.27 2qln s LEU 645 Cb -0.15 -3.16 -0.10 0.00 0.02 0.00 0.00 46.19 42.80 2qln s LEU 645 CO 0.12 -1.54 1.13 -0.70 0.02 0.00 0.00 176.35 175.38 2qln s GLU 646 N 5.09 4.54 -1.32 1.70 2.12 -1.26 -3.89 118.70 125.68 2qln s GLU 646 Ca 0.46 1.85 -0.05 0.00 0.36 0.00 0.00 54.97 57.59 2qln s GLU 646 Cb -0.08 -3.10 0.02 0.00 0.26 0.00 0.00 34.13 31.22 2qln s GLU 646 CO 0.26 0.11 1.02 -1.71 -0.54 0.00 0.00 175.26 174.39 2qln n ASN 647 N 0.99 -3.81 -4.70 -1.70 5.15 -1.25 -4.91 115.26 105.03 2qln n ASN 647 Ca -0.00 -0.64 -0.43 0.00 -0.60 0.00 0.00 54.58 52.90 2qln n ASN 647 Cb 0.45 -4.76 -0.03 0.00 -0.53 0.00 0.00 39.78 34.90 2qln n ASN 647 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2qln n TYR 648 N -4.54 2.60 -3.83 1.20 9.36 -1.26 -4.87 117.16 115.83 2qln n TYR 648 Ca -0.14 0.06 -0.06 0.00 3.32 0.00 0.00 57.90 61.08 2qln n TYR 648 Cb 0.61 -2.65 0.00 0.00 -0.63 0.00 0.00 39.34 36.67 2qln n TYR 648 CO 0.00 0.00 0.00 -0.98 0.22 0.00 0.00 176.86 176.10 2qln s ARG 649 N 1.45 1.78 0.17 2.98 1.70 -1.26 -4.70 118.95 121.08 2qln s ARG 649 Ca 0.78 -1.07 -0.14 0.00 -0.47 0.00 0.00 55.73 54.83 2qln s ARG 649 Cb -0.55 0.55 0.13 0.00 -0.57 0.00 0.00 34.95 34.50 2qln s ARG 649 CO 0.35 -0.82 1.74 0.28 -1.08 0.00 0.00 175.30 175.77 2qln h VAL 650 N 2.00 0.84 -0.18 4.99 2.07 -1.96 -0.56 116.25 123.45 2qln h VAL 650 Ca -0.26 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 2qln h VAL 650 Cb 1.24 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 2qln h VAL 650 CO 0.31 0.05 -0.08 0.77 0.02 0.00 0.00 177.57 178.65 2qln h SER 651 N 0.30 0.26 0.19 0.57 4.64 -1.97 -1.58 113.55 115.96 2qln h SER 651 Ca 0.21 -0.05 -0.21 0.00 -0.47 0.00 0.00 61.79 61.27 2qln h SER 651 Cb 0.21 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2qln h SER 651 CO -0.22 0.38 -0.82 0.25 -0.87 0.00 0.00 176.83 175.54 2qln h LEU 652 N 0.27 0.60 -0.72 5.97 5.85 -1.73 -3.20 115.31 122.36 2qln h LEU 652 Ca 0.06 -0.43 0.06 0.00 0.84 0.00 0.00 57.88 58.41 2qln h LEU 652 Cb 0.32 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 2qln h LEU 652 CO 0.02 1.20 0.41 0.00 -0.34 0.00 0.00 178.44 179.73 2qln h ALA 653 N 0.78 0.97 0.00 1.25 0.00 -0.41 -0.48 119.26 121.37 2qln h ALA 653 Ca -0.05 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2qln h ALA 653 Cb 1.43 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 2qln h ALA 653 CO 0.15 0.11 -0.02 0.93 0.00 0.00 0.00 179.25 180.42 2qln h GLU 654 N 0.76 0.00 0.00 0.00 5.08 -1.31 -1.74 114.58 117.37 2qln h GLU 654 Ca 0.32 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.45 2qln h GLU 654 Cb 0.19 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 2qln h GLU 654 CO -0.18 0.02 -1.30 1.63 -1.00 0.00 0.00 179.01 178.18 2qln n LYS 655 N -3.46 0.55 0.03 2.33 5.02 -0.67 -4.52 118.16 117.45 2qln n LYS 655 Ca -0.03 0.54 -0.13 0.00 -2.02 0.00 0.00 58.31 56.67 2qln n LYS 655 Cb 0.11 -1.71 -0.02 0.00 -0.02 0.00 0.00 35.03 33.39 2qln n LYS 655 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 2qln h VAL 656 N -1.00 1.34 -0.04 -0.18 3.04 -1.04 -3.34 116.25 115.03 2qln h VAL 656 Ca -0.34 -2.14 0.01 0.00 -1.01 0.00 0.00 66.70 63.21 2qln h VAL 656 Cb 1.24 2.14 -0.01 0.00 -2.01 0.00 0.00 31.29 32.65 2qln h VAL 656 CO -0.21 0.66 -0.00 0.40 -1.01 0.00 0.00 177.57 177.41 2qln h ILE 657 N 0.36 0.97 -0.07 3.17 2.04 -1.55 -1.72 117.51 120.71 2qln h ILE 657 Ca -0.05 -0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.82 2qln h ILE 657 Cb 1.41 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 38.44 2qln h ILE 657 CO 0.15 0.00 0.16 -0.65 0.00 0.00 0.00 178.15 177.81 2qln h PRO 658 N 0.01 0.00 -0.01 2.37 0.11 -1.80 -2.27 132.00 130.42 2qln h PRO 658 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 2qln h PRO 658 Cb 0.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.13 2qln h PRO 658 CO -0.04 0.00 -0.32 0.00 -0.21 0.00 0.00 178.00 177.43 2qln n ALA 659 N -2.14 3.20 -1.77 -0.75 0.00 -0.67 -4.75 120.51 113.63 2qln n ALA 659 Ca -0.01 -0.41 -0.38 0.00 0.00 0.00 0.00 53.44 52.65 2qln n ALA 659 Cb 0.24 -1.11 -0.06 0.00 0.00 0.00 0.00 19.45 18.52 2qln n ALA 659 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qln s ALA 660 N -2.59 3.24 -0.24 0.00 0.00 -0.86 -4.64 121.76 116.68 2qln s ALA 660 Ca 0.22 0.56 0.05 0.00 0.00 0.00 0.00 51.96 52.79 2qln s ALA 660 Cb 0.19 -3.19 -0.18 0.00 0.00 0.00 0.00 23.12 19.93 2qln s ALA 660 CO 0.56 0.17 -0.15 -0.25 0.00 0.00 0.00 175.76 176.08 2qln n ASP 661 N 0.80 1.66 -4.01 0.00 8.00 -0.78 -4.06 116.55 118.15 2qln n ASP 661 Ca 0.01 -0.10 -0.28 0.00 0.71 0.00 0.00 54.79 55.13 2qln n ASP 661 Cb 0.49 -0.08 -0.17 0.00 -0.02 0.00 0.00 41.12 41.34 2qln n ASP 661 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2qln s LEU 662 N -6.22 1.57 -0.27 0.64 0.20 -0.56 -0.65 118.68 113.39 2qln s LEU 662 Ca -0.28 -0.39 -0.10 0.00 0.69 0.00 0.00 54.13 54.05 2qln s LEU 662 Cb 0.08 -1.01 -0.04 0.00 -0.43 0.00 0.00 46.19 44.78 2qln s LEU 662 CO 0.62 -0.03 0.15 -0.55 -0.29 0.00 0.00 176.35 176.25 2qln s SER 663 N 1.23 5.75 -0.39 3.68 0.15 0.17 -1.38 113.70 122.91 2qln s SER 663 Ca -0.02 -0.07 -0.19 0.00 0.70 0.00 0.00 55.95 56.36 2qln s SER 663 Cb -0.14 -2.06 0.01 0.00 -1.71 0.00 0.00 66.02 62.12 2qln s SER 663 CO -0.04 -0.05 0.58 -1.61 1.20 0.00 0.00 173.24 173.32 2qln s GLU 664 N 1.72 3.47 -0.53 5.44 0.41 -0.82 -1.64 118.70 126.75 2qln s GLU 664 Ca 0.07 -0.23 0.05 0.00 -0.41 0.00 0.00 54.97 54.45 2qln s GLU 664 Cb -0.16 -3.87 0.20 0.00 -1.78 0.00 0.00 34.13 28.52 2qln s GLU 664 CO 0.09 -0.81 0.49 1.04 -0.49 0.00 0.00 175.26 175.58 2qln n GLN 665 N 5.98 1.18 -0.85 1.61 1.13 -0.46 -4.78 117.38 121.19 2qln n GLN 665 Ca -0.03 -3.83 0.03 0.00 -1.94 0.00 0.00 57.00 51.23 2qln n GLN 665 Cb 0.48 -1.86 0.17 0.00 0.11 0.00 0.00 30.24 29.14 2qln n GLN 665 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 2qln n ILE 666 N 1.95 2.04 -1.69 5.09 -5.35 -1.26 -2.41 119.36 117.73 2qln n ILE 666 Ca 0.25 -3.15 -0.36 0.00 -0.27 0.00 0.00 62.75 59.22 2qln n ILE 666 Cb 0.44 -0.21 0.07 0.00 -1.74 0.00 0.00 39.64 38.20 2qln n ILE 666 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2qln s SER 667 N -3.18 4.55 0.22 7.28 1.04 -1.26 -4.61 113.70 117.74 2qln s SER 667 Ca 0.39 2.54 -0.31 0.00 0.48 0.00 0.00 55.95 59.04 2qln s SER 667 Cb 0.38 -2.61 -0.11 0.00 0.10 0.00 0.00 66.02 63.78 2qln s SER 667 CO -0.07 -2.03 1.60 -0.89 0.98 0.00 0.00 173.24 172.83 2qln s THR 668 N -1.56 2.33 0.10 2.02 2.01 -1.15 -4.66 115.64 114.73 2qln s THR 668 Ca 0.80 0.25 -0.36 0.00 0.31 0.00 0.00 61.69 62.69 2qln s THR 668 Cb -0.35 -3.16 -0.16 0.00 0.01 0.00 0.00 72.50 68.85 2qln s THR 668 CO 0.40 0.03 1.42 0.00 -0.69 0.00 0.00 174.62 175.78 2qln n ALA 669 N 3.38 -0.25 -0.22 7.40 0.00 -1.26 -1.99 120.51 127.57 2qln n ALA 669 Ca 0.12 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.06 2qln n ALA 669 Cb 0.37 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.66 2qln n ALA 669 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qln n GLY 670 N 2.83 0.68 0.06 0.00 0.00 -1.26 -4.71 105.19 102.79 2qln n GLY 670 Ca 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 2qln n GLY 670 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qln n THR 671 N -2.05 0.76 -2.93 2.61 -2.24 -0.84 -4.89 114.28 104.69 2qln n THR 671 Ca 0.00 -0.34 -0.43 0.00 -2.27 0.00 0.00 64.05 61.01 2qln n THR 671 Cb 0.00 -0.91 -0.05 0.00 -2.10 0.00 0.00 70.33 67.27 2qln n THR 671 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2qln s GLU 672 N -2.27 3.37 0.18 -0.78 2.56 -1.26 -4.75 118.70 115.75 2qln s GLU 672 Ca -0.15 -0.19 -0.15 0.00 0.00 0.00 0.00 54.97 54.48 2qln s GLU 672 Cb 0.04 -3.98 0.15 0.00 2.00 0.00 0.00 34.13 32.34 2qln s GLU 672 CO 0.35 -1.23 1.67 0.00 -0.56 0.00 0.00 175.26 175.48 2qln h ALA 673 N 9.08 0.36 0.00 6.30 0.00 -1.90 -2.97 119.26 130.12 2qln h ALA 673 Ca -0.25 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2qln h ALA 673 Cb 1.08 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2qln h ALA 673 CO 1.00 -0.43 -0.01 0.45 0.00 0.00 0.00 179.25 180.26 2qln n SER 674 N -5.30 -0.09 0.00 0.00 2.88 -1.26 -4.20 113.62 105.65 2qln n SER 674 Ca 0.04 0.40 0.00 0.00 -1.33 0.00 0.00 58.87 57.98 2qln n SER 674 Cb 0.25 0.31 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 2qln n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2qln n GLY 675 N 1.61 -2.57 0.00 0.46 0.00 -1.26 -1.13 105.19 102.30 2qln n GLY 675 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.69 2qln n GLY 675 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qln n THR 676 N -1.40 0.00 -0.31 2.61 -2.24 -1.26 -4.76 114.28 106.91 2qln n THR 676 Ca 0.00 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.87 2qln n THR 676 Cb 0.00 -0.09 0.26 0.00 -2.10 0.00 0.00 70.33 68.40 2qln n THR 676 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2qln h GLY 677 N 0.00 1.51 0.03 3.38 0.00 -1.96 -2.01 103.07 104.02 2qln h GLY 677 Ca 0.00 -0.28 0.14 0.00 0.00 0.00 0.00 47.33 47.19 2qln h GLY 677 CO 0.00 -0.06 0.16 3.45 0.00 0.00 0.00 176.54 180.09 2qln h ASN 678 N 0.65 0.01 0.00 0.19 -0.00 -1.94 -2.22 115.58 112.26 2qln h ASN 678 Ca 0.50 0.13 0.00 0.00 -0.00 0.00 0.00 56.30 56.94 2qln h ASN 678 Cb 0.75 0.18 0.00 0.00 -0.00 0.00 0.00 38.32 39.25 2qln h ASN 678 CO -0.38 -0.01 0.00 0.23 -0.00 0.00 0.00 177.43 177.27 2qln n MET 679 N -5.14 0.32 0.00 4.14 2.81 -0.76 -2.11 117.12 116.38 2qln n MET 679 Ca 0.12 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.01 2qln n MET 679 Cb 0.40 -1.33 0.00 0.00 -0.71 0.00 0.00 33.22 31.58 2qln n MET 679 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 2qln n PHE 681 N 0.83 0.00 -0.35 2.03 3.72 -0.84 -1.91 117.46 120.93 2qln n PHE 681 Ca 0.00 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.37 2qln n PHE 681 Cb 0.16 0.00 0.10 0.00 -0.94 0.00 0.00 39.48 38.80 2qln n PHE 681 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 2qln h MET 682 N 0.00 1.25 0.00 -1.08 4.05 -1.63 -2.19 114.93 115.33 2qln h MET 682 Ca 0.00 -0.08 -0.07 0.00 -0.28 0.00 0.00 59.70 59.27 2qln h MET 682 Cb 0.00 -0.28 -0.01 0.00 -0.80 0.00 0.00 31.60 30.51 2qln h MET 682 CO 0.00 0.83 -0.35 1.25 0.23 0.00 0.00 176.91 178.88 2qln h LEU 683 N 1.29 0.00 -2.87 3.39 5.85 -1.67 -3.25 115.31 118.04 2qln h LEU 683 Ca 0.35 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.07 2qln h LEU 683 Cb -0.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.89 2qln h LEU 683 CO -0.07 0.35 0.00 0.59 -0.34 0.00 0.00 178.44 178.96 2qln n ASN 684 N -3.74 3.76 0.00 1.25 3.02 -1.00 -4.90 115.26 113.65 2qln n ASN 684 Ca -0.01 -2.11 0.00 0.00 -0.03 0.00 0.00 54.58 52.43 2qln n ASN 684 Cb 0.44 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 2qln n ASN 684 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qln n GLY 685 N 1.14 1.12 3.85 7.41 0.00 -1.06 -4.77 105.19 112.88 2qln n GLY 685 Ca 0.21 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 2qln n GLY 685 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qln s ALA 686 N -2.00 3.80 0.41 4.61 0.00 -0.86 -4.77 121.76 122.94 2qln s ALA 686 Ca 0.00 -0.84 -0.09 0.00 0.00 0.00 0.00 51.96 51.03 2qln s ALA 686 Cb 0.00 -1.72 -0.06 0.00 0.00 0.00 0.00 23.12 21.34 2qln s ALA 686 CO 0.00 0.74 0.76 -0.51 0.00 0.00 0.00 175.76 176.75 2qln s LEU 687 N -2.00 3.82 -0.17 0.00 1.43 0.17 -4.39 118.68 117.54 2qln s LEU 687 Ca 0.27 1.08 -0.02 0.00 -1.03 0.00 0.00 54.13 54.43 2qln s LEU 687 Cb -0.12 -3.96 -0.01 0.00 0.03 0.00 0.00 46.19 42.12 2qln s LEU 687 CO 0.19 -0.41 -0.10 -0.89 0.23 0.00 0.00 176.35 175.38 2qln s THR 688 N -2.40 3.17 -0.27 5.49 2.01 -1.26 -0.65 115.64 121.74 2qln s THR 688 Ca 0.50 -0.59 -0.10 0.00 0.31 0.00 0.00 61.69 61.81 2qln s THR 688 Cb -0.10 -2.38 -0.05 0.00 0.01 0.00 0.00 72.50 69.98 2qln s THR 688 CO 0.33 0.49 0.16 -0.51 -0.69 0.00 0.00 174.62 174.39 2qln s ILE 689 N 0.81 5.08 0.20 1.82 2.07 -0.65 -1.20 121.20 129.33 2qln s ILE 689 Ca -0.03 0.09 -0.21 0.00 -1.41 0.00 0.00 60.65 59.09 2qln s ILE 689 Cb -0.15 -3.41 0.04 0.00 0.13 0.00 0.00 42.46 39.08 2qln s ILE 689 CO 0.01 0.28 0.61 -0.83 -1.91 0.00 0.00 174.94 173.10 2qln s GLY 690 N 1.65 -0.32 0.57 1.50 0.00 -0.44 -1.36 107.32 108.91 2qln s GLY 690 Ca 0.07 0.06 -0.06 0.00 0.00 0.00 0.00 44.72 44.79 2qln s GLY 690 CO 0.09 -0.04 0.87 -0.51 0.00 0.00 0.00 173.10 173.51 2qln s THR 691 N -3.83 3.90 -1.35 0.90 -4.23 -1.01 -2.25 115.64 107.77 2qln s THR 691 Ca 0.06 0.03 -0.17 0.00 -1.18 0.00 0.00 61.69 60.43 2qln s THR 691 Cb -0.02 -3.53 0.06 0.00 1.34 0.00 0.00 72.50 70.35 2qln s THR 691 CO -0.05 -0.54 1.91 0.23 -0.54 0.00 0.00 174.62 175.63 2qln n MET 692 N -2.51 3.08 -4.04 3.99 2.81 -1.26 -4.69 117.12 114.51 2qln n MET 692 Ca 0.04 -3.05 -0.12 0.00 -1.81 0.00 0.00 57.70 52.75 2qln n MET 692 Cb 0.57 -3.42 -0.12 0.00 -0.71 0.00 0.00 33.22 29.54 2qln n MET 692 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2qln s ASP 693 N 3.84 0.61 0.65 7.83 3.68 -1.26 -4.62 116.67 127.39 2qln s ASP 693 Ca 0.51 -0.43 0.00 0.00 2.13 0.00 0.00 52.55 54.76 2qln s ASP 693 Cb 0.07 0.03 0.00 0.00 -1.45 0.00 0.00 42.92 41.58 2qln s ASP 693 CO 0.02 -0.17 0.00 0.61 0.13 0.00 0.00 175.17 175.76 2qln n GLY 694 N 1.83 2.40 0.06 2.66 0.00 -1.12 -1.88 105.19 109.12 2qln n GLY 694 Ca -0.21 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 45.68 2qln n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qln n ALA 695 N 7.72 2.00 -0.35 4.61 0.00 -0.28 -3.18 120.51 131.03 2qln n ALA 695 Ca 0.00 -0.02 0.16 0.00 0.00 0.00 0.00 53.44 53.58 2qln n ALA 695 Cb 0.00 -1.40 0.36 0.00 0.00 0.00 0.00 19.45 18.42 2qln n ALA 695 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2qln h ASN 696 N 0.00 0.70 -0.46 0.00 2.35 -1.58 -0.20 115.58 116.40 2qln h ASN 696 Ca 0.00 0.12 0.02 0.00 -0.55 0.00 0.00 56.30 55.90 2qln h ASN 696 Cb 0.47 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.82 2qln h ASN 696 CO 0.00 0.16 0.27 0.58 -1.65 0.00 0.00 177.43 176.78 2qln h VAL 697 N 0.64 1.04 -0.04 2.81 2.07 -1.65 -0.78 116.25 120.35 2qln h VAL 697 Ca 0.62 -0.18 -0.18 0.00 0.82 0.00 0.00 66.70 67.78 2qln h VAL 697 Cb 1.12 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 2qln h VAL 697 CO -0.45 0.10 -0.77 -0.33 0.02 0.00 0.00 177.57 176.14 2qln h GLU 698 N 0.54 0.28 -0.25 1.57 5.08 -1.53 -1.86 114.58 118.41 2qln h GLU 698 Ca 0.18 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2qln h GLU 698 Cb 0.02 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2qln h GLU 698 CO -0.09 0.92 0.12 0.52 -1.00 0.00 0.00 179.01 179.49 2qln h MET 699 N 0.18 0.37 -0.82 2.33 2.86 -0.80 -0.15 114.93 118.90 2qln h MET 699 Ca -0.03 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 2qln h MET 699 Cb 1.35 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.91 2qln h MET 699 CO 0.12 0.36 0.47 0.00 1.06 0.00 0.00 176.91 178.92 2qln h ALA 700 N 0.99 1.05 -0.58 6.32 0.00 -1.13 -1.00 119.26 124.91 2qln h ALA 700 Ca 0.09 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2qln h ALA 700 Cb 0.12 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2qln h ALA 700 CO -0.01 0.55 0.36 1.49 0.00 0.00 0.00 179.25 181.63 2qln h GLU 701 N 1.14 0.78 -0.18 0.00 4.81 -1.12 0.25 114.58 120.26 2qln h GLU 701 Ca 0.29 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.40 2qln h GLU 701 Cb 0.01 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.22 2qln h GLU 701 CO -0.05 0.55 -0.10 0.93 -0.73 0.00 0.00 179.01 179.61 2qln h GLU 702 N 0.78 0.39 0.00 1.92 4.39 -0.74 -3.31 114.58 118.01 2qln h GLU 702 Ca 0.21 -0.17 -0.15 0.00 0.34 0.00 0.00 59.36 59.59 2qln h GLU 702 Cb -0.04 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 2qln h GLU 702 CO -0.04 0.70 -0.75 0.00 -1.16 0.00 0.00 179.01 177.75 2qln h ALA 703 N 0.68 0.57 0.00 3.43 0.00 -1.17 -3.47 119.26 119.30 2qln h ALA 703 Ca 0.04 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2qln h ALA 703 Cb 0.59 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2qln h ALA 703 CO 0.03 0.87 0.00 0.41 0.00 0.00 0.00 179.25 180.56 2qln n GLY 704 N 1.29 1.80 0.30 0.00 0.00 0.88 -4.64 105.19 104.81 2qln n GLY 704 Ca 0.00 -1.44 0.15 0.00 0.00 0.00 0.00 46.02 44.73 2qln n GLY 704 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2qln h GLU 705 N 0.00 0.00 0.00 1.61 5.08 -1.87 -0.08 114.58 119.32 2qln h GLU 705 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2qln h GLU 705 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2qln h GLU 705 CO 0.00 0.01 0.00 0.93 -1.00 0.00 0.00 179.01 178.95 2qln h GLU 706 N 0.00 0.00 -0.37 2.33 3.07 -1.90 -2.98 114.58 114.73 2qln h GLU 706 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2qln h GLU 706 Cb 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 2qln h GLU 706 CO 0.00 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.70 2qln n ASN 707 N -2.77 4.40 -3.93 1.42 3.02 -0.04 -4.94 115.26 112.41 2qln n ASN 707 Ca 0.01 -2.91 -0.13 0.00 -0.03 0.00 0.00 54.58 51.52 2qln n ASN 707 Cb 0.26 -0.57 -0.14 0.00 -0.61 0.00 0.00 39.78 38.73 2qln n ASN 707 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2qln s PHE 708 N -2.66 0.25 -0.98 3.10 5.36 -1.13 -4.80 117.98 117.13 2qln s PHE 708 Ca 0.45 -0.13 -0.14 0.00 -0.96 0.00 0.00 56.93 56.15 2qln s PHE 708 Cb 0.35 -0.16 0.21 0.00 -0.34 0.00 0.00 43.02 43.07 2qln s PHE 708 CO 0.12 -0.03 1.03 -0.06 -1.46 0.00 0.00 175.22 174.82 2qln s PHE 709 N -0.31 3.70 -0.04 10.12 0.08 -0.34 -4.93 117.98 126.25 2qln s PHE 709 Ca -0.02 -2.04 -0.15 0.00 0.12 0.00 0.00 56.93 54.84 2qln s PHE 709 Cb -0.03 -4.00 -0.05 0.00 -0.57 0.00 0.00 43.02 38.37 2qln s PHE 709 CO -0.00 -1.16 0.39 0.42 -0.10 0.00 0.00 175.22 174.77 2qln s ILE 710 N 0.61 5.11 0.18 0.64 1.01 -1.26 -1.33 121.20 126.16 2qln s ILE 710 Ca 0.28 0.78 -0.09 0.00 0.00 0.00 0.00 60.65 61.62 2qln s ILE 710 Cb -0.08 -3.70 -0.01 0.00 0.01 0.00 0.00 42.46 38.69 2qln s ILE 710 CO -0.08 0.53 0.30 0.72 0.00 0.00 0.00 174.94 176.41 2qln s PHE 711 N -0.68 0.44 0.00 3.97 -0.71 -0.95 -4.97 117.98 115.08 2qln s PHE 711 Ca 0.23 -0.79 0.00 0.00 -1.04 0.00 0.00 56.93 55.32 2qln s PHE 711 Cb -0.16 -0.05 0.00 0.00 -1.21 0.00 0.00 43.02 41.60 2qln s PHE 711 CO 0.11 -0.75 0.00 0.41 -1.34 0.00 0.00 175.22 173.65 2qln n GLY 712 N -0.24 -3.22 3.78 1.99 0.00 -1.26 -4.29 105.19 101.95 2qln n GLY 712 Ca -0.06 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 2qln n GLY 712 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2qln s MET 713 N -0.88 4.15 0.68 1.61 -1.94 -1.26 -4.92 119.30 116.74 2qln s MET 713 Ca 0.00 2.51 -0.05 0.00 -1.71 0.00 0.00 55.69 56.44 2qln s MET 713 Cb 0.00 -2.99 0.06 0.00 2.01 0.00 0.00 34.83 33.92 2qln s MET 713 CO 0.00 -0.48 0.98 1.03 -0.01 0.00 0.00 175.02 176.54 2qln s ARG 714 N -1.99 2.19 0.28 2.03 1.81 -1.26 -4.51 118.95 117.50 2qln s ARG 714 Ca 0.52 -0.41 0.02 0.00 -1.72 0.00 0.00 55.73 54.14 2qln s ARG 714 Cb -0.45 -2.23 0.65 0.00 -0.45 0.00 0.00 34.95 32.47 2qln s ARG 714 CO 0.61 -1.18 1.71 0.28 -0.68 0.00 0.00 175.30 176.04 2qln h VAL 715 N -0.50 0.55 -0.71 3.52 2.07 -1.84 -1.38 116.25 117.96 2qln h VAL 715 Ca -0.44 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 66.88 2qln h VAL 715 Cb 1.31 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 2qln h VAL 715 CO 0.57 0.08 0.24 -0.33 0.02 0.00 0.00 177.57 178.16 2qln h GLU 716 N 0.45 1.07 -0.67 1.57 3.07 -1.96 -2.10 114.58 116.01 2qln h GLU 716 Ca 0.52 -0.21 -0.08 0.00 -0.50 0.00 0.00 59.36 59.09 2qln h GLU 716 Cb 0.92 -0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 28.64 2qln h GLU 716 CO -0.48 0.90 0.10 -0.44 -1.40 0.00 0.00 179.01 177.69 2qln h ASP 717 N 1.04 1.07 -0.30 1.42 3.45 -1.65 -1.79 116.42 119.66 2qln h ASP 717 Ca 0.23 -0.26 -0.01 0.00 0.43 0.00 0.00 57.03 57.42 2qln h ASP 717 Cb 0.25 -0.29 -0.01 0.00 -0.56 0.00 0.00 39.33 38.73 2qln h ASP 717 CO -0.01 1.06 0.15 0.58 -1.57 0.00 0.00 179.24 179.45 2qln h VAL 718 N 1.04 1.15 -0.56 -1.35 2.07 -1.08 -1.85 116.25 115.67 2qln h VAL 718 Ca 0.20 -0.42 0.05 0.00 0.82 0.00 0.00 66.70 67.35 2qln h VAL 718 Cb 0.45 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 2qln h VAL 718 CO 0.01 0.15 0.29 0.44 0.02 0.00 0.00 177.57 178.49 2qln h ASP 719 N 0.35 0.41 -0.83 0.57 3.32 -1.22 -1.06 116.42 117.96 2qln h ASP 719 Ca 0.10 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.20 2qln h ASP 719 Cb 0.11 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 2qln h ASP 719 CO -0.01 0.28 0.55 0.03 -1.72 0.00 0.00 179.24 178.37 2qln h ARG 720 N 0.55 1.08 -0.38 3.56 3.08 -1.18 -2.02 114.38 119.06 2qln h ARG 720 Ca 0.25 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 60.12 2qln h ARG 720 Cb 0.15 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 2qln h ARG 720 CO -0.17 0.71 -0.20 1.25 -1.07 0.00 0.00 179.97 180.49 2qln h LEU 721 N 1.11 0.75 -0.67 3.04 6.46 -0.83 -2.64 115.31 122.52 2qln h LEU 721 Ca 0.31 -0.26 -0.08 0.00 -0.12 0.00 0.00 57.88 57.74 2qln h LEU 721 Cb -0.09 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 39.61 2qln h LEU 721 CO -0.08 0.94 0.11 0.44 -0.62 0.00 0.00 178.44 179.23 2qln h ASP 722 N 0.65 1.07 -0.40 1.25 3.32 -0.95 0.16 116.42 121.52 2qln h ASP 722 Ca 0.10 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 56.87 2qln h ASP 722 Cb 0.69 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 2qln h ASP 722 CO 0.05 1.06 0.19 1.56 -1.72 0.00 0.00 179.24 180.38 2qln h GLN 723 N 1.04 0.58 -0.35 3.56 4.20 -1.25 -3.04 115.11 119.85 2qln h GLN 723 Ca 0.20 -0.09 -0.17 0.00 0.06 0.00 0.00 58.65 58.66 2qln h GLN 723 Cb 0.44 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 2qln h GLN 723 CO 0.01 0.51 -0.45 -0.09 -0.67 0.00 0.00 178.83 178.15 2qln h ARG 724 N 0.51 0.92 0.00 1.46 2.43 -1.41 -3.50 114.38 114.79 2qln h ARG 724 Ca 0.14 -0.52 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 2qln h ARG 724 Cb 0.12 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2qln h ARG 724 CO -0.02 1.17 0.00 0.41 -1.51 0.00 0.00 179.97 180.02 2qln n GLY 725 N 0.23 2.43 3.61 2.80 0.00 0.54 -5.03 105.19 109.77 2qln n GLY 725 Ca -0.03 -1.24 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 2qln n GLY 725 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2qln s TYR 726 N 0.00 3.08 -0.38 1.61 5.04 -1.20 -4.86 117.35 120.64 2qln s TYR 726 Ca 0.00 0.82 -0.03 0.00 -2.44 0.00 0.00 57.07 55.42 2qln s TYR 726 Cb 0.00 -3.68 0.09 0.00 0.35 0.00 0.00 41.96 38.72 2qln s TYR 726 CO 0.00 -0.83 0.15 1.21 -1.34 0.00 0.00 175.55 174.74 2qln s ASN 727 N 1.88 5.18 0.40 4.32 2.47 -1.26 -4.98 114.94 122.95 2qln s ASN 727 Ca 0.39 -1.81 0.13 0.00 0.42 0.00 0.00 52.86 51.99 2qln s ASN 727 Cb -0.12 -1.81 0.82 0.00 -1.45 0.00 0.00 41.25 38.70 2qln s ASN 727 CO 0.19 -0.47 1.89 0.00 -3.72 0.00 0.00 177.10 174.99 2qln h ALA 728 N 8.05 1.50 -0.98 1.71 0.00 -1.87 -2.84 119.26 124.83 2qln h ALA 728 Ca -0.15 -0.27 0.14 0.00 0.00 0.00 0.00 54.91 54.63 2qln h ALA 728 Cb 1.05 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.71 2qln h ALA 728 CO 0.66 0.37 0.62 0.37 0.00 0.00 0.00 179.25 181.26 2qln h GLN 729 N 0.02 0.86 -0.53 0.00 5.75 -1.92 -1.85 115.11 117.44 2qln h GLN 729 Ca 0.00 -0.05 0.10 0.00 -0.15 0.00 0.00 58.65 58.55 2qln h GLN 729 Cb 0.52 -0.19 -0.08 0.00 1.07 0.00 0.00 27.48 28.80 2qln h GLN 729 CO 0.04 0.57 0.04 1.49 -2.65 0.00 0.00 178.83 178.32 2qln h GLU 730 N 0.88 0.16 -0.28 1.69 4.81 -1.93 0.11 114.58 120.02 2qln h GLU 730 Ca 0.50 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.65 2qln h GLU 730 Cb 0.61 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 2qln h GLU 730 CO -0.26 0.10 -0.07 1.88 -0.73 0.00 0.00 179.01 179.93 2qln h TYR 731 N 0.16 0.61 -0.96 0.92 -1.99 -1.51 -2.47 116.97 111.73 2qln h TYR 731 Ca 0.27 -0.13 0.11 0.00 2.00 0.00 0.00 58.73 60.98 2qln h TYR 731 Cb 0.40 -0.15 -0.08 0.00 2.00 0.00 0.00 36.73 38.90 2qln h TYR 731 CO -0.29 0.74 0.59 -0.92 -0.00 0.00 0.00 178.16 178.29 2qln h TYR 732 N 0.30 1.07 -0.05 4.88 5.03 -1.00 -1.38 116.97 125.82 2qln h TYR 732 Ca 0.07 0.03 -0.14 0.00 2.58 0.00 0.00 58.73 61.27 2qln h TYR 732 Cb 0.55 -0.34 -0.01 0.00 1.55 0.00 0.00 36.73 38.48 2qln h TYR 732 CO 0.05 0.44 -0.59 -0.44 -1.32 0.00 0.00 178.16 176.30 2qln h ASP 733 N 0.96 0.20 -0.01 -2.11 3.32 -0.64 -3.35 116.42 114.79 2qln h ASP 733 Ca 0.47 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.40 2qln h ASP 733 Cb 0.43 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.92 2qln h ASP 733 CO -0.25 0.74 -0.57 0.54 -1.72 0.00 0.00 179.24 177.98 2qln n ARG 734 N -3.87 1.74 -3.98 3.56 1.74 -0.94 -4.80 116.66 110.10 2qln n ARG 734 Ca -0.02 -0.35 -0.31 0.00 -0.77 0.00 0.00 57.85 56.40 2qln n ARG 734 Cb 0.60 -1.26 -0.15 0.00 -1.02 0.00 0.00 32.46 30.63 2qln n ARG 734 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2qln s ILE 735 N -2.25 2.13 0.28 0.55 1.01 -0.55 -5.00 121.20 117.37 2qln s ILE 735 Ca 0.09 -2.29 -0.02 0.00 0.00 0.00 0.00 60.65 58.43 2qln s ILE 735 Cb 0.13 -2.58 0.27 0.00 0.01 0.00 0.00 42.46 40.28 2qln s ILE 735 CO 0.55 -0.62 1.94 -0.65 0.00 0.00 0.00 174.94 176.15 2qln h PRO 736 N 7.61 1.13 -0.33 2.79 0.11 -1.87 -1.91 132.00 139.53 2qln h PRO 736 Ca -0.05 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 65.93 2qln h PRO 736 Cb 1.01 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.85 2qln h PRO 736 CO 0.52 0.75 -0.07 0.93 -0.21 0.00 0.00 178.00 179.92 2qln h GLU 737 N 1.16 0.54 -0.12 1.05 5.08 -1.95 -2.00 114.58 118.34 2qln h GLU 737 Ca 0.36 -0.14 -0.19 0.00 -1.00 0.00 0.00 59.36 58.38 2qln h GLU 737 Cb -0.02 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 2qln h GLU 737 CO -0.10 0.61 -0.72 1.25 -1.00 0.00 0.00 179.01 179.06 2qln h LEU 738 N 0.50 0.65 -0.54 1.33 5.85 -1.82 -3.11 115.31 118.18 2qln h LEU 738 Ca 0.10 -0.41 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 2qln h LEU 738 Cb 0.43 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 2qln h LEU 738 CO 0.02 1.17 0.32 -0.09 -0.34 0.00 0.00 178.44 179.52 2qln h ARG 739 N 0.39 0.73 -0.49 1.25 2.43 -1.05 -2.21 114.38 115.42 2qln h ARG 739 Ca -0.03 -0.07 0.06 0.00 -0.81 0.00 0.00 59.98 59.13 2qln h ARG 739 Cb 1.30 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 30.65 2qln h ARG 739 CO 0.13 0.53 0.19 0.37 -1.51 0.00 0.00 179.97 179.69 2qln h GLN 740 N 0.72 0.37 -0.20 0.20 4.15 -1.39 -0.95 115.11 118.02 2qln h GLN 740 Ca 0.19 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.59 2qln h GLN 740 Cb -0.01 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 2qln h GLN 740 CO -0.04 0.25 0.12 0.82 -1.93 0.00 0.00 178.83 178.05 2qln h ILE 741 N 0.38 1.08 -0.81 2.39 2.04 -1.42 -0.00 117.51 121.17 2qln h ILE 741 Ca 0.23 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.85 2qln h ILE 741 Cb 0.22 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 2qln h ILE 741 CO -0.22 0.08 0.36 0.40 0.00 0.00 0.00 178.15 178.77 2qln h ILE 742 N 0.23 1.26 -0.64 -0.67 1.08 -1.19 -0.04 117.51 117.54 2qln h ILE 742 Ca 0.07 -0.76 -0.08 0.00 -0.39 0.00 0.00 64.86 63.70 2qln h ILE 742 Cb 0.03 0.24 -0.03 0.00 -3.07 0.00 0.00 36.82 33.99 2qln h ILE 742 CO -0.01 0.32 0.09 -0.33 -0.69 0.00 0.00 178.15 177.52 2qln h GLU 743 N 1.17 1.06 -0.43 2.37 5.08 -0.93 -0.86 114.58 122.04 2qln h GLU 743 Ca 0.28 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2qln h GLU 743 Cb 0.16 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2qln h GLU 743 CO -0.03 0.98 0.17 1.96 -1.00 0.00 0.00 179.01 181.09 2qln h GLN 744 N 0.99 0.64 -0.01 2.33 4.20 -0.42 -1.63 115.11 121.21 2qln h GLN 744 Ca 0.19 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 2qln h GLN 744 Cb 0.45 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 2qln h GLN 744 CO 0.01 0.59 0.01 -0.07 -0.67 0.00 0.00 178.83 178.70 2qln h LEU 745 N 0.55 0.01 -0.83 1.46 3.38 -0.83 -1.94 115.31 117.11 2qln h LEU 745 Ca 0.14 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 2qln h LEU 745 Cb 0.19 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2qln h LEU 745 CO -0.01 0.05 0.26 0.28 0.09 0.00 0.00 178.44 179.11 2qln h SER 746 N -0.02 1.05 1.26 -0.43 0.02 -1.10 -3.23 113.55 111.09 2qln h SER 746 Ca 0.00 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2qln h SER 746 Cb 0.04 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.31 2qln h SER 746 CO -0.00 0.95 -0.13 -1.54 -1.14 0.00 0.00 176.83 174.97 2qln n SER 747 N -4.27 0.66 0.00 3.07 3.41 -0.62 -4.64 113.62 111.24 2qln n SER 747 Ca 0.06 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 2qln n SER 747 Cb 0.21 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 2qln n SER 747 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qln n GLY 748 N 1.35 1.04 0.36 5.00 0.00 -1.16 -4.85 105.19 106.92 2qln n GLY 748 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.08 2qln n GLY 748 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2qln h PHE 749 N 0.00 0.99 -0.09 1.61 3.04 -1.60 -2.40 116.94 118.48 2qln h PHE 749 Ca 0.00 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 2qln h PHE 749 Cb 0.00 -0.33 0.00 0.00 2.56 0.00 0.00 35.95 38.18 2qln h PHE 749 CO 0.00 0.61 0.00 1.19 -2.02 0.00 0.00 178.31 178.09 2qln n PHE 750 N -4.43 0.09 -3.05 0.41 3.72 -1.26 -4.56 117.46 108.38 2qln n PHE 750 Ca 0.09 -0.04 -0.17 0.00 -0.05 0.00 0.00 57.45 57.28 2qln n PHE 750 Cb 0.06 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.56 2qln n PHE 750 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2qln n SER 751 N 1.20 -1.42 -0.01 4.37 3.41 -0.95 -4.79 113.62 115.43 2qln n SER 751 Ca 0.16 -2.82 0.03 0.00 -0.26 0.00 0.00 58.87 55.98 2qln n SER 751 Cb 0.56 0.44 0.40 0.00 -0.26 0.00 0.00 64.21 65.36 2qln n SER 751 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2qln h PRO 752 N 4.54 0.56 0.00 4.33 0.11 -1.69 -2.49 132.00 137.36 2qln h PRO 752 Ca 0.06 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.12 2qln h PRO 752 Cb 0.97 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.96 2qln h PRO 752 CO 0.33 0.39 -0.67 0.87 -0.21 0.00 0.00 178.00 178.71 2qln h LYS 753 N 0.57 0.00 -2.59 1.05 1.57 -1.96 -3.38 116.57 111.83 2qln h LYS 753 Ca 0.15 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.33 2qln h LYS 753 Cb -0.02 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 31.90 2qln h LYS 753 CO -0.03 0.00 -0.85 1.04 -0.57 0.00 0.00 179.45 179.04 2qln n GLN 754 N -2.12 0.72 0.09 3.15 6.02 -0.96 -5.02 117.38 119.27 2qln n GLN 754 Ca 0.03 -3.60 0.17 0.00 -0.01 0.00 0.00 57.00 53.59 2qln n GLN 754 Cb 0.44 -1.87 0.70 0.00 1.02 0.00 0.00 30.24 30.53 2qln n GLN 754 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 2qln h PRO 755 N 5.54 0.00 -0.47 -1.09 0.11 -1.71 -1.78 132.00 132.60 2qln h PRO 755 Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 2qln h PRO 755 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 2qln h PRO 755 CO 0.48 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.87 2qln n ASP 756 N -4.32 4.66 -0.30 -2.05 3.85 -1.26 -3.21 116.55 113.91 2qln n ASP 756 Ca 0.05 -2.76 0.12 0.00 -0.71 0.00 0.00 54.79 51.49 2qln n ASP 756 Cb 0.44 -0.57 0.35 0.00 -1.35 0.00 0.00 41.12 39.98 2qln n ASP 756 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 2qln h LEU 757 N 3.14 0.72 -3.57 -2.12 5.85 -1.65 -2.40 115.31 115.28 2qln h LEU 757 Ca 0.00 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 2qln h LEU 757 Cb 1.57 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.48 2qln h LEU 757 CO 0.30 0.35 0.06 0.49 -0.34 0.00 0.00 178.44 179.30 2qln n PHE 758 N -4.61 2.01 -0.07 1.25 3.01 -1.26 -4.57 117.46 113.22 2qln n PHE 758 Ca 0.19 -0.88 0.03 0.00 1.01 0.00 0.00 57.45 57.79 2qln n PHE 758 Cb 0.48 -0.53 0.36 0.00 -0.01 0.00 0.00 39.48 39.78 2qln n PHE 758 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 2qln h LYS 759 N 3.32 0.69 -0.71 -1.08 2.10 -1.76 -2.24 116.57 116.90 2qln h LYS 759 Ca 0.07 -0.05 -0.06 0.00 -2.00 0.00 0.00 60.65 58.61 2qln h LYS 759 Cb 2.00 -0.15 -0.03 0.00 -0.90 0.00 0.00 32.23 33.14 2qln h LYS 759 CO 0.52 0.47 0.19 -0.44 -2.00 0.00 0.00 179.45 178.18 2qln h ASP 760 N 0.71 1.05 -0.07 7.07 3.32 -1.84 -0.96 116.42 125.70 2qln h ASP 760 Ca 0.19 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 2qln h ASP 760 Cb -0.06 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.21 2qln h ASP 760 CO -0.04 1.00 -0.00 0.40 -1.72 0.00 0.00 179.24 178.87 2qln h ILE 761 N 1.06 1.26 -0.43 0.35 2.04 -1.76 -1.50 117.51 118.53 2qln h ILE 761 Ca 0.23 -0.82 0.01 0.00 1.00 0.00 0.00 64.86 65.27 2qln h ILE 761 Cb 0.34 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 2qln h ILE 761 CO -0.00 0.23 0.28 0.58 0.00 0.00 0.00 178.15 179.24 2qln h VAL 762 N -0.16 1.10 -0.35 1.67 2.07 -1.42 -1.29 116.25 117.87 2qln h VAL 762 Ca 0.02 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2qln h VAL 762 Cb 0.36 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 2qln h VAL 762 CO 0.00 0.10 0.23 -1.13 0.02 0.00 0.00 177.57 176.80 2qln h ASN 763 N 0.57 0.41 -0.12 0.57 -1.24 -1.13 -0.31 115.58 114.34 2qln h ASN 763 Ca 0.16 -0.02 0.01 0.00 0.71 0.00 0.00 56.30 57.16 2qln h ASN 763 Cb -0.06 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 38.88 2qln h ASN 763 CO -0.04 0.30 0.06 -0.03 -1.29 0.00 0.00 177.43 176.43 2qln h MET 764 N 0.47 0.13 -0.73 6.67 4.05 -1.14 0.51 114.93 124.89 2qln h MET 764 Ca 0.13 -0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.57 2qln h MET 764 Cb -0.05 -0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 30.68 2qln h MET 764 CO -0.03 0.08 0.46 -0.07 0.23 0.00 0.00 176.91 177.59 2qln h LEU 765 N 0.13 0.75 -0.09 3.39 4.07 -0.96 -0.35 115.31 122.25 2qln h LEU 765 Ca 0.05 0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.78 2qln h LEU 765 Cb 0.00 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 41.58 2qln h LEU 765 CO -0.03 0.51 -1.03 0.24 -1.08 0.00 0.00 178.44 177.06 2qln h MET 766 N 0.89 0.25 0.00 1.13 2.86 -0.89 -3.41 114.93 115.76 2qln h MET 766 Ca 0.30 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2qln h MET 766 Cb 0.04 0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.81 2qln h MET 766 CO -0.12 1.08 -0.88 0.72 1.06 0.00 0.00 176.91 178.77 2qln n HIS 767 N -3.61 0.00 -2.87 -0.22 8.25 0.16 -4.42 115.22 112.51 2qln n HIS 767 Ca -0.06 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.28 2qln n HIS 767 Cb 0.90 0.00 0.01 0.00 1.12 0.00 0.00 29.99 32.02 2qln n HIS 767 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2qln n HIS 768 N -1.91 0.59 -2.95 4.41 -0.00 -0.25 -5.04 115.22 110.08 2qln n HIS 768 Ca 0.00 -3.16 -0.44 0.00 -0.00 0.00 0.00 57.72 54.13 2qln n HIS 768 Cb 0.44 -0.30 -0.04 0.00 -0.00 0.00 0.00 29.99 30.09 2qln n HIS 768 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 2qln s ASP 769 N -2.76 6.18 0.47 4.39 2.15 -0.53 -4.83 116.67 121.74 2qln s ASP 769 Ca 0.32 -1.11 0.32 0.00 0.43 0.00 0.00 52.55 52.51 2qln s ASP 769 Cb 0.41 -2.38 1.55 0.00 -0.30 0.00 0.00 42.92 42.20 2qln s ASP 769 CO -0.01 -1.32 1.97 0.03 -0.17 0.00 0.00 175.17 175.67 2qln h ARG 770 N 9.42 0.00 -0.16 4.34 3.08 -1.97 -3.21 114.38 125.89 2qln h ARG 770 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.76 2qln h ARG 770 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.13 2qln h ARG 770 CO 1.15 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 181.24 2qln n PHE 771 N -2.73 0.31 -3.78 3.04 3.72 -1.26 -5.02 117.46 111.74 2qln n PHE 771 Ca -0.00 -0.65 -0.23 0.00 -0.05 0.00 0.00 57.45 56.52 2qln n PHE 771 Cb 0.17 -0.11 0.02 0.00 -0.94 0.00 0.00 39.48 38.62 2qln n PHE 771 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2qln n LYS 772 N -0.34 -4.52 -0.20 -1.08 5.02 -1.22 -4.75 118.16 111.07 2qln n LYS 772 Ca 0.10 0.56 -0.04 0.00 -2.02 0.00 0.00 58.31 56.91 2qln n LYS 772 Cb 0.48 -5.03 0.06 0.00 -0.02 0.00 0.00 35.03 30.52 2qln n LYS 772 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2qln h VAL 773 N -1.87 1.06 -0.18 -0.18 2.07 -1.94 -2.69 116.25 112.53 2qln h VAL 773 Ca -0.61 -0.24 -0.08 0.00 0.82 0.00 0.00 66.70 66.59 2qln h VAL 773 Cb 1.36 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2qln h VAL 773 CO 0.59 0.13 -0.22 -0.26 0.02 0.00 0.00 177.57 177.83 2qln h PHE 774 N 0.71 0.35 0.00 1.57 0.05 -1.91 -3.11 116.94 114.60 2qln h PHE 774 Ca 0.24 -0.06 -0.03 0.00 3.82 0.00 0.00 57.97 61.94 2qln h PHE 774 Cb 0.03 -0.09 -0.00 0.00 2.00 0.00 0.00 35.95 37.89 2qln h PHE 774 CO -0.06 0.53 -0.13 0.00 -0.18 0.00 0.00 178.31 178.47 2qln h ALA 775 N 1.48 1.21 -0.02 2.45 0.00 -1.86 -2.62 119.26 119.91 2qln h ALA 775 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2qln h ALA 775 Cb 0.56 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2qln h ALA 775 CO 0.04 0.17 -0.19 -0.25 0.00 0.00 0.00 179.25 179.02 2qln n ASP 776 N -3.55 2.10 0.16 0.00 8.00 -1.18 -4.72 116.55 117.36 2qln n ASP 776 Ca -0.01 -1.55 -0.14 0.00 0.71 0.00 0.00 54.79 53.80 2qln n ASP 776 Cb 0.27 0.25 -0.07 0.00 -0.02 0.00 0.00 41.12 41.55 2qln n ASP 776 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2qln h TYR 777 N 2.73 -0.61 -0.03 1.24 5.03 -1.40 -1.87 116.97 122.07 2qln h TYR 777 Ca 0.00 0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.32 2qln h TYR 777 Cb 0.68 0.24 -0.01 0.00 1.55 0.00 0.00 36.73 39.18 2qln h TYR 777 CO 0.00 -0.34 -0.03 0.93 -1.32 0.00 0.00 178.16 177.40 2qln h GLU 778 N -0.50 -0.04 -0.63 1.82 5.08 -1.85 -1.65 114.58 116.82 2qln h GLU 778 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2qln h GLU 778 Cb 0.46 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 2qln h GLU 778 CO -0.05 -0.03 0.30 0.93 -1.00 0.00 0.00 179.01 179.16 2qln h GLU 779 N -0.04 0.89 0.14 2.33 5.08 -1.88 -1.89 114.58 119.20 2qln h GLU 779 Ca 0.02 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2qln h GLU 779 Cb 0.07 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.16 2qln h GLU 779 CO -0.05 0.69 -0.07 -0.92 -1.00 0.00 0.00 179.01 177.66 2qln h TYR 780 N 0.88 -0.18 -0.53 4.33 3.20 -1.08 -0.21 116.97 123.39 2qln h TYR 780 Ca 0.22 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.12 2qln h TYR 780 Cb 0.10 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.38 2qln h TYR 780 CO 0.01 0.02 0.28 0.28 -1.64 0.00 0.00 178.16 177.12 2qln h VAL 781 N -0.35 0.99 -0.16 1.81 2.07 -1.21 -0.27 116.25 119.12 2qln h VAL 781 Ca -0.02 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.32 2qln h VAL 781 Cb 0.28 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2qln h VAL 781 CO 0.03 0.10 0.09 0.50 0.02 0.00 0.00 177.57 178.32 2qln h LYS 782 N 0.55 0.19 -0.92 1.57 1.63 -1.29 -2.11 116.57 116.20 2qln h LYS 782 Ca 0.23 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.01 2qln h LYS 782 Cb 0.10 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.65 2qln h LYS 782 CO -0.14 0.12 0.54 0.00 -3.45 0.00 0.00 179.45 176.53 2qln h GLN 784 N 1.27 0.34 -0.55 0.00 1.08 -0.71 -1.79 115.11 114.75 2qln h GLN 784 Ca 0.33 -0.03 -0.09 0.00 -1.45 0.00 0.00 58.65 57.41 2qln h GLN 784 Cb -0.04 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.29 2qln h GLN 784 CO -0.06 0.25 -0.02 0.93 -0.95 0.00 0.00 178.83 178.98 2qln h GLU 785 N 0.35 0.96 -0.11 1.46 5.08 -0.71 -2.33 114.58 119.28 2qln h GLU 785 Ca 0.09 -0.30 -0.06 0.00 -1.00 0.00 0.00 59.36 58.09 2qln h GLU 785 Cb 0.01 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2qln h GLU 785 CO -0.02 0.96 -0.22 0.00 -1.00 0.00 0.00 179.01 178.73 2qln h ARG 786 N 0.88 0.18 0.07 2.33 3.08 -1.07 -1.67 114.38 118.17 2qln h ARG 786 Ca 0.16 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 2qln h ARG 786 Cb 0.54 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.57 2qln h ARG 786 CO 0.03 0.40 -0.03 0.28 -1.07 0.00 0.00 179.97 179.58 2qln h VAL 787 N 0.17 1.11 -0.97 2.04 2.07 -1.09 -2.76 116.25 116.82 2qln h VAL 787 Ca 0.03 -0.62 0.02 0.00 0.82 0.00 0.00 66.70 66.95 2qln h VAL 787 Cb 0.48 1.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 2qln h VAL 787 CO 0.03 0.15 0.64 0.28 0.02 0.00 0.00 177.57 178.70 2qln h SER 788 N -0.37 1.10 -0.33 0.57 0.02 -1.27 -1.88 113.55 111.40 2qln h SER 788 Ca -0.01 -0.02 0.02 0.00 -0.84 0.00 0.00 61.79 60.94 2qln h SER 788 Cb 0.32 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 2qln h SER 788 CO 0.02 0.79 0.17 0.00 -1.14 0.00 0.00 176.83 176.67 2qln h ALA 789 N 1.40 0.41 -0.59 3.77 0.00 -1.31 -2.81 119.26 120.12 2qln h ALA 789 Ca 0.36 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.20 2qln h ALA 789 Cb -0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2qln h ALA 789 CO -0.09 -0.19 0.05 1.25 0.00 0.00 0.00 179.25 180.27 2qln h LEU 790 N 0.36 0.96 -1.81 0.00 6.46 -1.16 -2.95 115.31 117.16 2qln h LEU 790 Ca 0.13 -0.24 -0.03 0.00 -0.12 0.00 0.00 57.88 57.63 2qln h LEU 790 Cb 0.03 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 39.70 2qln h LEU 790 CO -0.08 0.98 -0.14 0.22 -0.62 0.00 0.00 178.44 178.80 2qln h TYR 791 N 0.92 0.00 0.00 1.25 3.20 -1.15 0.23 116.97 121.43 2qln h TYR 791 Ca 0.18 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.05 2qln h TYR 791 Cb 0.47 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.74 2qln h TYR 791 CO 0.03 0.14 0.00 0.87 -1.64 0.00 0.00 178.16 177.56 2qln h LYS 792 N 0.00 0.00 -3.31 1.82 1.57 -1.31 -3.33 116.57 112.01 2qln h LYS 792 Ca -0.00 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 58.10 2qln h LYS 792 Cb 0.30 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 32.24 2qln h LYS 792 CO 0.02 0.00 -0.27 1.21 -0.57 0.00 0.00 179.45 179.84 2qln s ASN 793 N -4.78 5.53 0.29 0.86 3.84 0.07 -4.97 114.94 115.78 2qln s ASN 793 Ca -0.01 -3.58 0.04 0.00 0.21 0.00 0.00 52.86 49.51 2qln s ASN 793 Cb 0.09 -1.83 0.66 0.00 -0.55 0.00 0.00 41.25 39.63 2qln s ASN 793 CO 0.38 -0.19 1.79 -0.65 -2.79 0.00 0.00 177.10 175.64 2qln h PRO 794 N 6.06 0.79 -0.33 0.43 0.11 -1.76 -0.56 132.00 136.75 2qln h PRO 794 Ca 0.12 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.13 2qln h PRO 794 Cb 0.83 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.74 2qln h PRO 794 CO 0.79 0.52 0.02 -0.09 -0.21 0.00 0.00 178.00 179.04 2qln h ARG 795 N 0.82 0.57 -0.09 1.05 2.43 -1.93 -2.03 114.38 115.19 2qln h ARG 795 Ca 0.54 -0.17 -0.16 0.00 -0.81 0.00 0.00 59.98 59.38 2qln h ARG 795 Cb 0.75 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 2qln h ARG 795 CO -0.35 0.68 -0.65 0.93 -1.51 0.00 0.00 179.97 179.08 2qln h GLU 796 N 0.38 0.35 -0.02 0.20 4.39 -1.62 -1.58 114.58 116.69 2qln h GLU 796 Ca 0.10 -0.26 0.02 0.00 0.34 0.00 0.00 59.36 59.56 2qln h GLU 796 Cb 0.41 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.08 2qln h GLU 796 CO 0.01 0.88 -0.11 2.35 -1.16 0.00 0.00 179.01 180.98 2qln h TRP 797 N 0.25 -0.28 -0.48 4.33 2.91 -1.11 -2.06 115.95 119.51 2qln h TRP 797 Ca -0.01 0.01 -0.07 0.00 1.13 0.00 0.00 58.89 59.95 2qln h TRP 797 Cb 1.19 0.13 -0.02 0.00 -0.51 0.00 0.00 29.16 29.95 2qln h TRP 797 CO 0.03 -0.17 0.03 1.15 -1.03 0.00 0.00 178.44 178.45 2qln h THR 798 N -0.18 1.24 -0.66 2.65 2.02 -1.24 -1.27 112.91 115.46 2qln h THR 798 Ca 0.05 -0.95 -0.07 0.00 0.77 0.00 0.00 66.41 66.21 2qln h THR 798 Cb 0.24 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 2qln h THR 798 CO -0.12 0.34 0.15 0.03 0.37 0.00 0.00 175.52 176.29 2qln h ARG 799 N 0.74 1.06 -0.53 6.66 3.08 -1.17 -0.34 114.38 123.88 2qln h ARG 799 Ca 0.15 -0.25 -0.10 0.00 0.07 0.00 0.00 59.98 59.85 2qln h ARG 799 Cb 0.41 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 2qln h ARG 799 CO 0.01 0.94 -0.06 1.98 -1.07 0.00 0.00 179.97 181.77 2qln h MET 800 N 1.00 0.96 -0.31 0.04 4.05 -0.90 -2.38 114.93 117.39 2qln h MET 800 Ca 0.21 -0.32 0.04 0.00 -0.28 0.00 0.00 59.70 59.35 2qln h MET 800 Cb 0.36 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 31.05 2qln h MET 800 CO 0.00 0.98 0.07 0.28 0.23 0.00 0.00 176.91 178.48 2qln h VAL 801 N 0.87 0.86 -1.00 -5.77 2.07 -0.85 -2.08 116.25 110.36 2qln h VAL 801 Ca 0.15 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.63 2qln h VAL 801 Cb 0.59 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 2qln h VAL 801 CO 0.04 0.03 0.66 0.40 0.02 0.00 0.00 177.57 178.72 2qln h ILE 802 N 0.19 1.20 -0.04 4.57 2.04 -0.87 -0.04 117.51 124.55 2qln h ILE 802 Ca 0.14 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 2qln h ILE 802 Cb 0.15 -0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.01 2qln h ILE 802 CO -0.18 0.24 -0.09 0.03 0.00 0.00 0.00 178.15 178.15 2qln h ARG 803 N 1.30 0.06 0.09 2.37 3.08 -1.06 -1.23 114.38 118.99 2qln h ARG 803 Ca 0.39 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.43 2qln h ARG 803 Cb -0.04 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 29.99 2qln h ARG 803 CO -0.11 0.16 -0.04 -0.91 -1.07 0.00 0.00 179.97 177.99 2qln h ASN 804 N 0.06 -0.11 -0.75 7.04 2.35 -0.37 -3.21 115.58 120.61 2qln h ASN 804 Ca 0.01 -0.48 0.09 0.00 -0.55 0.00 0.00 56.30 55.38 2qln h ASN 804 Cb 0.20 0.03 -0.07 0.00 0.05 0.00 0.00 38.32 38.53 2qln h ASN 804 CO 0.01 0.53 0.39 0.40 -1.65 0.00 0.00 177.43 177.11 2qln h ILE 805 N -0.85 0.86 0.00 2.81 2.04 -1.15 -2.29 117.51 118.94 2qln h ILE 805 Ca -0.01 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 2qln h ILE 805 Cb 0.58 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 2qln h ILE 805 CO 0.02 0.12 -0.08 0.00 0.00 0.00 0.00 178.15 178.21 2qln h ALA 806 N 1.44 1.16 -0.24 1.87 0.00 -1.33 -2.70 119.26 119.46 2qln h ALA 806 Ca 0.37 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2qln h ALA 806 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2qln h ALA 806 CO -0.26 0.11 0.00 0.25 0.00 0.00 0.00 179.25 179.34 2qln n THR 807 N -3.43 1.80 1.50 0.00 -2.24 -0.89 -1.94 114.28 109.08 2qln n THR 807 Ca -0.01 -1.62 0.14 0.00 -2.27 0.00 0.00 64.05 60.29 2qln n THR 807 Cb 0.24 0.01 0.60 0.00 -2.10 0.00 0.00 70.33 69.07 2qln n THR 807 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2qln n SER 808 N -0.32 0.78 -0.35 3.42 3.41 -1.02 -4.41 113.62 115.13 2qln n SER 808 Ca 0.17 -0.95 0.07 0.00 -0.26 0.00 0.00 58.87 57.89 2qln n SER 808 Cb 0.69 -0.01 0.25 0.00 -0.26 0.00 0.00 64.21 64.89 2qln n SER 808 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2qln h GLY 809 N 4.93 1.59 0.85 5.00 0.00 -1.79 -2.17 103.07 111.48 2qln h GLY 809 Ca 0.00 -0.42 0.14 0.00 0.00 0.00 0.00 47.33 47.05 2qln h GLY 809 CO 0.00 0.17 0.43 1.70 0.00 0.00 0.00 176.54 178.85 2qln h LYS 810 N 0.99 0.00 -0.64 4.80 3.64 -1.89 -2.66 116.57 120.82 2qln h LYS 810 Ca 0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.87 2qln h LYS 810 Cb 0.47 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2qln h LYS 810 CO -0.25 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 178.12 2qln n PHE 811 N -3.99 1.32 -2.38 1.91 3.01 -0.82 -4.73 117.46 111.77 2qln n PHE 811 Ca 0.09 -0.50 -0.41 0.00 1.01 0.00 0.00 57.45 57.63 2qln n PHE 811 Cb 0.64 -0.26 -0.03 0.00 -0.01 0.00 0.00 39.48 39.82 2qln n PHE 811 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2qln s SER 812 N -0.77 7.08 0.19 4.37 0.15 -1.00 -0.71 113.70 123.01 2qln s SER 812 Ca 0.42 2.18 0.18 0.00 0.70 0.00 0.00 55.95 59.43 2qln s SER 812 Cb 0.28 -2.60 0.82 0.00 -1.71 0.00 0.00 66.02 62.82 2qln s SER 812 CO 0.18 -0.40 1.55 -1.54 1.20 0.00 0.00 173.24 174.23 2qln n SER 813 N 2.91 0.42 -0.27 5.45 3.41 -0.24 -1.72 113.62 123.59 2qln n SER 813 Ca 0.06 0.64 -0.07 0.00 -0.26 0.00 0.00 58.87 59.24 2qln n SER 813 Cb 0.45 -0.71 0.05 0.00 -0.26 0.00 0.00 64.21 63.74 2qln n SER 813 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2qln h ASP 814 N 0.00 1.06 -0.18 4.04 3.32 -1.92 -0.85 116.42 121.90 2qln h ASP 814 Ca 0.00 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 56.82 2qln h ASP 814 Cb 0.19 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 2qln h ASP 814 CO 0.00 0.98 0.00 -0.09 -1.72 0.00 0.00 179.24 178.41 2qln h ARG 815 N 1.08 0.31 -0.36 3.56 1.12 -1.64 -1.76 114.38 116.68 2qln h ARG 815 Ca 0.24 -0.10 0.05 0.00 -1.11 0.00 0.00 59.98 59.06 2qln h ARG 815 Cb 0.28 -0.03 -0.04 0.00 -0.01 0.00 0.00 29.97 30.17 2qln h ARG 815 CO -0.01 0.51 0.11 1.15 -3.11 0.00 0.00 179.97 178.62 2qln h THR 816 N 0.06 0.87 -0.44 0.20 2.02 -1.43 -2.06 112.91 112.12 2qln h THR 816 Ca 0.05 -0.09 -0.13 0.00 0.77 0.00 0.00 66.41 67.01 2qln h THR 816 Cb 0.37 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 2qln h THR 816 CO 0.01 0.05 -0.24 0.40 0.37 0.00 0.00 175.52 176.11 2qln h ILE 817 N 0.25 1.27 -0.70 3.11 1.08 -1.14 -1.52 117.51 119.86 2qln h ILE 817 Ca 0.17 -1.39 0.03 0.00 -0.39 0.00 0.00 64.86 63.28 2qln h ILE 817 Cb 0.16 1.18 -0.04 0.00 -3.07 0.00 0.00 36.82 35.05 2qln h ILE 817 CO -0.19 0.47 0.46 0.00 -0.69 0.00 0.00 178.15 178.21 2qln h ALA 818 N 0.93 1.59 -0.19 1.87 0.00 -1.12 1.00 119.26 123.33 2qln h ALA 818 Ca 0.10 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2qln h ALA 818 Cb 0.80 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2qln h ALA 818 CO 0.07 0.35 -0.13 1.96 0.00 0.00 0.00 179.25 181.49 2qln h GLN 819 N 0.86 0.42 -0.24 0.00 4.20 -0.93 -1.73 115.11 117.69 2qln h GLN 819 Ca 0.28 -0.20 0.05 0.00 0.06 0.00 0.00 58.65 58.84 2qln h GLN 819 Cb 0.04 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.76 2qln h GLN 819 CO -0.08 0.74 -0.08 1.88 -0.67 0.00 0.00 178.83 180.63 2qln h TYR 820 N 0.10 -0.18 -0.39 2.96 0.05 -1.02 0.25 116.97 118.74 2qln h TYR 820 Ca 0.04 0.02 0.06 0.00 0.05 0.00 0.00 58.73 58.90 2qln h TYR 820 Cb 0.64 0.12 -0.05 0.00 1.01 0.00 0.00 36.73 38.45 2qln h TYR 820 CO 0.07 -0.13 0.10 0.00 -1.05 0.00 0.00 178.16 177.15 2qln h ALA 821 N 1.20 0.43 0.20 3.88 0.00 -0.76 0.32 119.26 124.54 2qln h ALA 821 Ca 0.12 0.07 -0.31 0.00 0.00 0.00 0.00 54.91 54.79 2qln h ALA 821 Cb 0.22 0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.11 2qln h ALA 821 CO -0.27 -0.30 -1.40 0.00 0.00 0.00 0.00 179.25 177.28 2qln h ARG 822 N 0.23 0.41 0.00 0.00 3.08 -1.19 0.15 114.38 117.07 2qln h ARG 822 Ca 0.19 -0.71 0.00 0.00 0.07 0.00 0.00 59.98 59.53 2qln h ARG 822 Cb 0.21 0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2qln h ARG 822 CO -0.23 1.33 -1.48 0.39 -1.07 0.00 0.00 179.97 178.91 2qln n GLU 823 N -3.62 0.47 0.01 0.04 1.02 0.06 -4.36 120.64 114.26 2qln n GLU 823 Ca -0.14 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 56.90 2qln n GLU 823 Cb 1.07 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 31.01 2qln n GLU 823 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2qln n ILE 824 N -1.87 0.15 0.13 -3.67 5.41 -0.03 -4.88 119.36 114.60 2qln n ILE 824 Ca -0.00 0.05 0.09 0.00 1.00 0.00 0.00 62.75 63.88 2qln n ILE 824 Cb 0.44 -1.42 0.04 0.00 -0.71 0.00 0.00 39.64 37.99 2qln n ILE 824 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 2qln h TRP 825 N 0.00 0.00 -3.10 1.39 6.55 -1.20 -3.48 115.95 116.11 2qln h TRP 825 Ca 0.00 0.00 -0.16 0.00 0.95 0.00 0.00 58.89 59.68 2qln h TRP 825 Cb 0.80 0.00 0.06 0.00 -0.86 0.00 0.00 29.16 29.16 2qln h TRP 825 CO 0.00 0.15 -0.29 0.41 -1.05 0.00 0.00 178.44 177.67 2qln n GLY 826 N 1.19 0.30 3.15 1.49 0.00 0.30 -4.93 105.19 106.69 2qln n GLY 826 Ca 0.00 -0.28 -0.17 0.00 0.00 0.00 0.00 46.02 45.57 2qln n GLY 826 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qln s VAL 827 N -3.14 0.96 -0.26 1.61 -7.23 0.09 -5.01 120.40 107.42 2qln s VAL 827 Ca 0.21 -1.30 -0.12 0.00 -1.81 0.00 0.00 61.98 58.96 2qln s VAL 827 Cb -0.09 -1.00 -0.05 0.00 0.56 0.00 0.00 36.38 35.80 2qln s VAL 827 CO 0.30 -0.31 0.21 -1.61 -0.31 0.00 0.00 175.10 173.39 2qln s GLU 828 N -1.85 4.01 0.73 4.82 0.41 -1.26 -3.60 118.70 121.97 2qln s GLU 828 Ca -0.03 -0.23 -0.15 0.00 -0.41 0.00 0.00 54.97 54.15 2qln s GLU 828 Cb -0.09 -3.61 0.04 0.00 -1.78 0.00 0.00 34.13 28.69 2qln s GLU 828 CO 0.02 -0.10 1.20 -1.25 -0.49 0.00 0.00 175.26 174.64 2qln s PRO 829 N 1.51 2.14 -0.04 0.39 0.04 -1.26 -4.96 135.00 132.82 2qln s PRO 829 Ca 0.09 1.74 -0.02 0.00 0.04 0.00 0.00 61.00 62.85 2qln s PRO 829 Cb -0.15 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.59 2qln s PRO 829 CO 0.08 -1.83 0.09 0.45 0.04 0.00 0.00 177.00 175.83 2qln s SER 830 N -2.07 -0.03 0.00 6.66 0.15 -0.15 -5.02 113.70 113.24 2qln s SER 830 Ca 0.74 0.18 0.21 0.00 0.70 0.00 0.00 55.95 57.78 2qln s SER 830 Cb -0.29 0.08 0.57 0.00 -1.71 0.00 0.00 66.02 64.67 2qln s SER 830 CO 0.45 -0.13 1.46 0.54 1.20 0.00 0.00 173.24 176.77 2qln n ARG 831 N 4.06 2.10 -2.24 5.44 5.12 -1.26 -3.23 116.66 126.66 2qln n ARG 831 Ca -0.25 -1.67 -0.40 0.00 -1.93 0.00 0.00 57.85 53.59 2qln n ARG 831 Cb 0.52 -1.44 -0.03 0.00 -1.16 0.00 0.00 32.46 30.35 2qln n ARG 831 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2qln s GLN 832 N -1.63 4.42 0.43 5.56 -0.21 -1.26 -5.00 119.66 121.98 2qln s GLN 832 Ca 0.35 2.06 -0.24 0.00 0.02 0.00 0.00 55.36 57.55 2qln s GLN 832 Cb 0.20 -3.08 -0.08 0.00 1.00 0.00 0.00 33.01 31.05 2qln s GLN 832 CO 0.28 -0.07 1.14 1.03 -2.12 0.00 0.00 175.29 175.55 2qln s ARG 833 N -1.72 3.91 0.23 2.91 3.00 -1.26 -4.96 118.95 121.05 2qln s ARG 833 Ca 0.48 1.72 -0.12 0.00 0.00 0.00 0.00 55.73 57.81 2qln s ARG 833 Cb -0.37 -2.49 -0.08 0.00 0.00 0.00 0.00 34.95 32.02 2qln s ARG 833 CO 0.48 -0.41 0.59 -0.51 0.00 0.00 0.00 175.30 175.45 2qln s LEU 834 N -2.84 4.18 0.37 2.53 1.43 -0.45 -5.05 118.68 118.86 2qln s LEU 834 Ca 0.61 1.04 -0.28 0.00 -1.03 0.00 0.00 54.13 54.47 2qln s LEU 834 Cb -0.27 -3.68 -0.11 0.00 0.03 0.00 0.00 46.19 42.16 2qln s LEU 834 CO 0.34 -0.06 1.49 -2.16 0.23 0.00 0.00 176.35 176.19 2qln s PRO 835 N -2.66 4.11 0.00 1.29 0.04 -1.26 -4.60 135.00 131.92 2qln s PRO 835 Ca 0.47 2.58 0.28 0.00 0.04 0.00 0.00 61.00 64.37 2qln s PRO 835 Cb -0.12 -2.97 1.68 0.00 0.04 0.00 0.00 34.50 33.13 2qln s PRO 835 CO 0.20 -0.54 2.02 0.00 0.04 0.00 0.00 177.00 178.72