#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qcg s ASN 2 N 0.00 6.13 -0.03 4.52 0.01 -1.26 -4.94 114.94 119.37 1qcg s ASN 2 Ca 0.00 0.13 0.06 0.00 -0.71 0.00 0.00 52.86 52.34 1qcg s ASN 2 Cb 0.00 -1.80 -0.01 0.00 0.41 0.00 0.00 41.25 39.84 1qcg s ASN 2 CO 0.00 0.09 -0.22 0.28 -1.51 0.00 0.00 177.10 175.74 1qcg s THR 3 N -1.66 1.79 -0.29 1.60 -1.32 -1.26 -1.04 115.64 113.47 1qcg s THR 3 Ca 0.34 -0.94 -0.12 0.00 -1.21 0.00 0.00 61.69 59.76 1qcg s THR 3 Cb -0.11 -1.50 -0.04 0.00 -1.51 0.00 0.00 72.50 69.33 1qcg s THR 3 CO 0.27 0.50 0.22 -0.63 -2.21 0.00 0.00 174.62 172.77 1qcg s ILE 4 N -0.31 5.29 -0.30 5.08 -1.09 0.30 -4.93 121.20 125.24 1qcg s ILE 4 Ca 0.03 0.15 -0.17 0.00 -2.23 0.00 0.00 60.65 58.42 1qcg s ILE 4 Cb -0.11 -3.58 -0.02 0.00 -1.58 0.00 0.00 42.46 37.18 1qcg s ILE 4 CO 0.01 0.20 0.48 -0.63 -1.23 0.00 0.00 174.94 173.77 1qcg s ILE 5 N 1.79 5.08 -0.19 2.92 1.01 -1.26 -0.47 121.20 130.07 1qcg s ILE 5 Ca 0.08 0.61 0.00 0.00 0.00 0.00 0.00 60.65 61.34 1qcg s ILE 5 Cb -0.16 -3.85 0.02 0.00 0.01 0.00 0.00 42.46 38.48 1qcg s ILE 5 CO 0.11 -0.01 -0.17 -0.47 0.00 0.00 0.00 174.94 174.40 1qcg s TYR 6 N 2.28 2.82 -0.68 3.97 5.04 0.06 -4.97 117.35 125.87 1qcg s TYR 6 Ca 0.19 -1.56 -0.26 0.00 -2.44 0.00 0.00 57.07 52.99 1qcg s TYR 6 Cb -0.16 -1.95 0.04 0.00 0.35 0.00 0.00 41.96 40.25 1qcg s TYR 6 CO 0.11 -0.77 1.16 1.21 -1.34 0.00 0.00 175.55 175.92 1qcg s ASN 7 N 1.31 6.22 0.09 4.32 3.84 -1.26 -0.46 114.94 129.01 1qcg s ASN 7 Ca 0.05 -0.48 -0.12 0.00 0.21 0.00 0.00 52.86 52.52 1qcg s ASN 7 Cb -0.13 -2.52 -0.18 0.00 -0.55 0.00 0.00 41.25 37.87 1qcg s ASN 7 CO -0.11 -1.64 1.26 0.58 -2.79 0.00 0.00 177.10 174.39 1qcg h VAL 8 N 6.04 1.29 0.00 -5.21 2.07 -0.53 -3.32 116.25 116.58 1qcg h VAL 8 Ca -0.28 -2.14 -0.00 0.00 0.82 0.00 0.00 66.70 65.10 1qcg h VAL 8 Cb 1.06 2.20 -0.00 0.00 -1.52 0.00 0.00 31.29 33.03 1qcg h VAL 8 CO 1.23 0.67 -0.02 1.23 0.02 0.00 0.00 177.57 180.69 1qcg h GLY 9 N 0.55 0.00 -6.63 2.17 0.00 -1.65 -3.39 103.07 94.12 1qcg h GLY 9 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 46.93 1qcg h GLY 9 CO 0.18 0.00 -0.62 -0.45 0.00 0.00 0.00 176.54 175.65 1qcg s SER 10 N -6.21 1.45 0.36 0.19 0.15 -1.25 -4.85 113.70 103.54 1qcg s SER 10 Ca -0.05 -0.43 -0.03 0.00 0.70 0.00 0.00 55.95 56.15 1qcg s SER 10 Cb 0.15 0.49 0.01 0.00 -1.71 0.00 0.00 66.02 64.96 1qcg s SER 10 CO 0.56 -0.35 0.52 0.42 1.20 0.00 0.00 173.24 175.59 1qcg s THR 11 N 2.36 0.00 0.13 6.45 -4.23 -1.26 -4.80 115.64 114.29 1qcg s THR 11 Ca 0.09 -1.53 -0.02 0.00 -1.18 0.00 0.00 61.69 59.04 1qcg s THR 11 Cb -0.15 -2.72 -0.04 0.00 1.34 0.00 0.00 72.50 70.94 1qcg s THR 11 CO -0.22 0.00 0.08 0.42 -0.54 0.00 0.00 174.62 174.36 1qcg s THR 12 N -2.83 0.11 0.49 3.99 -4.23 -1.26 -5.01 115.64 106.90 1qcg s THR 12 Ca 0.29 -1.82 0.35 0.00 -1.18 0.00 0.00 61.69 59.33 1qcg s THR 12 Cb -0.01 -1.96 0.37 0.00 1.34 0.00 0.00 72.50 72.24 1qcg s THR 12 CO 0.21 -0.50 2.20 0.16 -0.54 0.00 0.00 174.62 176.15 1qcg h ILE 13 N 2.85 0.29 -0.11 2.99 3.07 -1.97 -1.20 117.51 123.43 1qcg h ILE 13 Ca -0.35 -0.25 -0.22 0.00 1.55 0.00 0.00 64.86 65.60 1qcg h ILE 13 Cb 1.20 1.18 0.01 0.00 -0.27 0.00 0.00 36.82 38.94 1qcg h ILE 13 CO 0.58 0.04 -0.79 -1.28 -1.05 0.00 0.00 178.15 175.65 1qcg h SER 14 N 0.00 0.89 0.92 2.16 0.87 -1.99 -1.92 113.55 114.47 1qcg h SER 14 Ca -0.00 -0.66 -0.11 0.00 -1.23 0.00 0.00 61.79 59.79 1qcg h SER 14 Cb 0.18 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 1qcg h SER 14 CO 0.01 1.41 -0.53 0.11 -0.53 0.00 0.00 176.83 177.29 1qcg h LYS 15 N 0.43 0.00 -0.26 2.24 1.57 -1.71 -1.56 116.57 117.29 1qcg h LYS 15 Ca -0.07 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.60 1qcg h LYS 15 Cb 1.43 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.74 1qcg h LYS 15 CO 0.16 0.53 -0.27 -0.92 -0.57 0.00 0.00 179.45 178.39 1qcg h TYR 16 N 0.00 0.77 -0.75 -1.35 3.20 -1.23 -1.68 116.97 115.92 1qcg h TYR 16 Ca -0.01 -0.23 -0.04 0.00 3.14 0.00 0.00 58.73 61.60 1qcg h TYR 16 Cb 1.14 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 39.21 1qcg h TYR 16 CO 0.00 0.96 0.33 0.00 -1.64 0.00 0.00 178.16 177.81 1qcg h ALA 17 N 0.69 1.16 -0.38 1.82 0.00 -1.16 -1.83 119.26 119.56 1qcg h ALA 17 Ca 0.04 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1qcg h ALA 17 Cb 0.83 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1qcg h ALA 17 CO 0.07 0.62 0.04 1.15 0.00 0.00 0.00 179.25 181.12 1qcg h THR 18 N 1.08 1.25 0.23 0.00 2.02 -1.21 -1.52 112.91 114.76 1qcg h THR 18 Ca 0.26 -0.91 0.01 0.00 0.77 0.00 0.00 66.41 66.54 1qcg h THR 18 Cb 0.16 1.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 1qcg h THR 18 CO -0.03 0.31 -0.33 0.15 0.37 0.00 0.00 175.52 175.99 1qcg h PHE 19 N 0.47 -0.91 -0.63 3.16 3.57 -0.89 -0.50 116.94 121.22 1qcg h PHE 19 Ca 0.11 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.64 1qcg h PHE 19 Cb 0.40 0.37 -0.03 0.00 2.79 0.00 0.00 35.95 39.48 1qcg h PHE 19 CO 0.03 -0.46 0.42 -0.07 -2.23 0.00 0.00 178.31 176.00 1qcg h LEU 20 N -0.63 0.71 -0.79 0.59 3.38 -1.30 0.12 115.31 117.38 1qcg h LEU 20 Ca 0.00 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1qcg h LEU 20 Cb 0.61 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1qcg h LEU 20 CO -0.12 0.51 -0.27 -1.13 0.09 0.00 0.00 178.44 177.52 1qcg h ASN 21 N 0.83 0.62 -0.18 -0.43 -1.24 -0.92 -0.76 115.58 113.51 1qcg h ASN 21 Ca 0.24 -0.23 -0.21 0.00 0.71 0.00 0.00 56.30 56.81 1qcg h ASN 21 Cb -0.06 -0.17 0.01 0.00 0.73 0.00 0.00 38.32 38.83 1qcg h ASN 21 CO -0.05 0.87 -0.70 0.44 -1.29 0.00 0.00 177.43 176.70 1qcg h ASP 22 N 0.53 0.94 -0.29 1.15 3.45 -0.26 -1.98 116.42 119.95 1qcg h ASP 22 Ca 0.07 -0.57 -0.04 0.00 0.43 0.00 0.00 57.03 56.92 1qcg h ASP 22 Cb 0.74 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 39.22 1qcg h ASP 22 CO 0.06 1.37 0.04 0.25 -1.57 0.00 0.00 179.24 179.39 1qcg h LEU 23 N 0.58 0.47 -0.59 1.55 5.85 -0.85 -2.29 115.31 120.02 1qcg h LEU 23 Ca -0.03 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 1qcg h LEU 23 Cb 1.31 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 1qcg h LEU 23 CO 0.15 0.62 0.26 0.03 -0.34 0.00 0.00 178.44 179.16 1qcg h ARG 24 N 0.31 0.87 0.00 1.25 3.08 -1.17 0.71 114.38 119.42 1qcg h ARG 24 Ca 0.09 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 1qcg h ARG 24 Cb 0.36 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 1qcg h ARG 24 CO 0.01 0.72 -0.16 -0.91 -1.07 0.00 0.00 179.97 178.56 1qcg h ASN 25 N 0.82 0.00 0.30 7.04 -0.26 -1.28 -0.89 115.58 121.30 1qcg h ASN 25 Ca 0.20 0.00 -0.33 0.00 -0.56 0.00 0.00 56.30 55.61 1qcg h ASN 25 Cb 0.16 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.40 1qcg h ASN 25 CO -0.02 0.16 -1.75 -0.08 -1.06 0.00 0.00 177.43 174.67 1qcg h GLU 26 N 0.00 0.24 -0.01 0.81 4.57 -0.94 -3.39 114.58 115.87 1qcg h GLU 26 Ca -0.00 -0.42 -0.02 0.00 -1.18 0.00 0.00 59.36 57.74 1qcg h GLU 26 Cb 0.34 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 1qcg h GLU 26 CO 0.02 1.09 -0.07 0.00 -1.18 0.00 0.00 179.01 178.87 1qcg h ALA 27 N 0.36 0.02 -2.43 2.92 0.00 -0.70 -3.47 119.26 115.97 1qcg h ALA 27 Ca -0.33 -0.38 -0.54 0.00 0.00 0.00 0.00 54.91 53.66 1qcg h ALA 27 Cb 2.04 0.00 0.19 0.00 0.00 0.00 0.00 17.79 20.02 1qcg h ALA 27 CO 0.13 -0.08 -0.16 0.36 0.00 0.00 0.00 179.25 179.51 1qcg n LYS 28 N -4.68 0.09 -2.54 0.00 2.85 -0.36 -4.32 118.16 109.20 1qcg n LYS 28 Ca -0.09 0.09 -0.33 0.00 -1.05 0.00 0.00 58.31 56.92 1qcg n LYS 28 Cb 0.38 -2.08 -0.04 0.00 -0.65 0.00 0.00 35.03 32.65 1qcg n LYS 28 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1qcg s ASP 29 N -1.88 6.46 0.56 -5.58 2.15 -0.46 -4.76 116.67 113.16 1qcg s ASP 29 Ca 0.66 1.82 0.32 0.00 0.43 0.00 0.00 52.55 55.78 1qcg s ASP 29 Cb -0.29 -2.55 1.64 0.00 -0.30 0.00 0.00 42.92 41.42 1qcg s ASP 29 CO 0.58 -0.70 2.12 -0.65 -0.17 0.00 0.00 175.17 176.35 1qcg h PRO 30 N 1.46 0.00 0.00 4.34 0.11 -1.93 -3.37 132.00 132.61 1qcg h PRO 30 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1qcg h PRO 30 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1qcg h PRO 30 CO 0.60 0.07 -0.45 -1.13 -0.21 0.00 0.00 178.00 176.88 1qcg n SER 31 N -3.45 2.23 -4.70 -2.05 3.41 -1.26 -5.07 113.62 102.74 1qcg n SER 31 Ca -0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.17 1qcg n SER 31 Cb 0.21 0.34 -0.03 0.00 -0.26 0.00 0.00 64.21 64.47 1qcg n SER 31 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1qcg s LEU 32 N -1.81 4.38 -0.14 1.04 1.02 -1.26 -4.98 118.68 116.94 1qcg s LEU 32 Ca 0.00 2.61 -0.30 0.00 0.02 0.00 0.00 54.13 56.45 1qcg s LEU 32 Cb 0.00 -3.57 0.13 0.00 0.02 0.00 0.00 46.19 42.77 1qcg s LEU 32 CO 0.00 -0.92 1.03 -1.59 0.02 0.00 0.00 176.35 174.90 1qcg s LYS 33 N 2.33 0.56 -0.06 1.70 -2.85 -1.26 -0.84 119.74 119.32 1qcg s LYS 33 Ca 0.75 -0.01 0.01 0.00 -1.00 0.00 0.00 55.97 55.72 1qcg s LYS 33 Cb -0.43 0.26 0.02 0.00 -2.06 0.00 0.00 37.83 35.63 1qcg s LYS 33 CO 0.33 -0.21 -0.06 0.00 0.10 0.00 0.00 175.35 175.51 1qcg n TYR 35 N 4.22 -2.50 -0.92 0.00 4.01 0.16 -1.99 117.16 120.13 1qcg n TYR 35 Ca -0.21 0.95 0.00 0.00 -0.16 0.00 0.00 57.90 58.48 1qcg n TYR 35 Cb 0.51 -4.64 0.00 0.00 -0.31 0.00 0.00 39.34 34.89 1qcg n TYR 35 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qcg n GLY 36 N -1.75 0.40 3.48 2.72 0.00 0.25 -4.83 105.19 105.46 1qcg n GLY 36 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 1qcg n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qcg s ILE 37 N -2.01 4.51 0.42 -0.61 1.01 -0.84 -5.08 121.20 118.60 1qcg s ILE 37 Ca 0.00 -0.10 -0.26 0.00 0.00 0.00 0.00 60.65 60.28 1qcg s ILE 37 Cb 0.00 -3.11 -0.09 0.00 0.01 0.00 0.00 42.46 39.27 1qcg s ILE 37 CO 0.00 0.33 1.40 -2.16 0.00 0.00 0.00 174.94 174.51 1qcg s PRO 38 N 1.59 3.87 0.16 2.79 0.04 -1.26 -1.66 135.00 140.53 1qcg s PRO 38 Ca 0.06 2.38 0.08 0.00 0.04 0.00 0.00 61.00 63.57 1qcg s PRO 38 Cb -0.15 -2.77 -0.04 0.00 0.04 0.00 0.00 34.50 31.58 1qcg s PRO 38 CO 0.05 -0.65 -0.11 1.41 0.04 0.00 0.00 177.00 177.74 1qcg s MET 39 N -2.29 2.03 0.69 4.56 1.75 -0.02 -0.80 119.30 125.22 1qcg s MET 39 Ca 0.58 -1.20 -0.14 0.00 -1.25 0.00 0.00 55.69 53.67 1qcg s MET 39 Cb -0.43 -2.18 0.01 0.00 2.84 0.00 0.00 34.83 35.07 1qcg s MET 39 CO 0.56 0.46 1.11 -0.51 -0.65 0.00 0.00 175.02 175.98 1qcg s LEU 40 N -2.60 3.31 0.80 4.11 1.43 -0.09 -1.35 118.68 124.28 1qcg s LEU 40 Ca 0.23 1.96 -0.12 0.00 -1.03 0.00 0.00 54.13 55.18 1qcg s LEU 40 Cb -0.10 -4.54 0.07 0.00 0.03 0.00 0.00 46.19 41.65 1qcg s LEU 40 CO 0.14 -1.73 1.10 -2.16 0.23 0.00 0.00 176.35 173.93 1qcg s PRO 41 N -4.28 2.09 0.60 1.29 0.04 -1.26 -4.29 135.00 129.19 1qcg s PRO 41 Ca 0.66 0.55 -0.19 0.00 0.04 0.00 0.00 61.00 62.06 1qcg s PRO 41 Cb -0.20 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.39 1qcg s PRO 41 CO 0.45 -1.60 1.22 1.21 0.04 0.00 0.00 177.00 178.32 1qcg s ASN 42 N -4.01 5.09 0.55 6.66 3.84 -1.26 -4.27 114.94 121.54 1qcg s ASN 42 Ca 0.61 2.41 0.29 0.00 0.21 0.00 0.00 52.86 56.38 1qcg s ASN 42 Cb -0.14 -2.60 1.46 0.00 -0.55 0.00 0.00 41.25 39.42 1qcg s ASN 42 CO 0.54 -1.66 1.93 0.00 -2.79 0.00 0.00 177.10 175.12 1qcg h THR 43 N 0.80 0.55 -0.62 -5.21 1.03 -1.95 -1.86 112.91 105.65 1qcg h THR 43 Ca -0.50 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.90 1qcg h THR 43 Cb 1.30 0.64 0.00 0.00 -1.07 0.00 0.00 68.15 69.02 1qcg h THR 43 CO 0.55 0.00 0.00 -0.46 -0.01 0.00 0.00 175.52 175.60 1qcg n ASN 44 N -4.12 4.99 -4.73 0.00 0.23 -1.26 -4.88 115.26 105.50 1qcg n ASN 44 Ca 0.12 -2.58 -0.40 0.00 -0.53 0.00 0.00 54.58 51.19 1qcg n ASN 44 Cb 0.74 -0.61 -0.05 0.00 -2.08 0.00 0.00 39.78 37.79 1qcg n ASN 44 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1qcg s THR 45 N -2.11 4.89 -0.02 5.53 2.01 -0.70 -5.04 115.64 120.20 1qcg s THR 45 Ca 0.51 1.59 -0.01 0.00 0.31 0.00 0.00 61.69 64.10 1qcg s THR 45 Cb 0.35 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 1qcg s THR 45 CO 0.22 0.29 0.07 0.20 -0.69 0.00 0.00 174.62 174.71 1qcg s ASN 46 N 0.42 5.61 0.63 3.53 0.01 -1.26 -3.52 114.94 120.37 1qcg s ASN 46 Ca 0.39 0.15 -0.15 0.00 -0.71 0.00 0.00 52.86 52.55 1qcg s ASN 46 Cb -0.19 -1.61 -0.02 0.00 0.41 0.00 0.00 41.25 39.84 1qcg s ASN 46 CO 0.21 0.30 1.07 -2.16 -1.51 0.00 0.00 177.10 175.01 1qcg s PRO 47 N -1.56 3.11 0.02 -0.60 0.04 -1.26 -5.09 135.00 129.66 1qcg s PRO 47 Ca 0.21 1.20 0.25 0.00 0.04 0.00 0.00 61.00 62.70 1qcg s PRO 47 Cb -0.12 -2.00 0.58 0.00 0.04 0.00 0.00 34.50 32.99 1qcg s PRO 47 CO 0.11 -0.98 1.47 1.63 0.04 0.00 0.00 177.00 179.27 1qcg n LYS 48 N -2.35 0.05 -4.40 4.56 5.02 -1.23 -4.89 118.16 114.93 1qcg n LYS 48 Ca 0.09 0.02 -0.20 0.00 -2.02 0.00 0.00 58.31 56.19 1qcg n LYS 48 Cb 0.53 -1.53 -0.10 0.00 -0.02 0.00 0.00 35.03 33.90 1qcg n LYS 48 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1qcg s TYR 49 N -3.03 1.74 -0.16 2.13 2.02 -1.26 -0.44 117.35 118.34 1qcg s TYR 49 Ca 0.11 -1.13 -0.11 0.00 -0.37 0.00 0.00 57.07 55.56 1qcg s TYR 49 Cb 0.17 -1.08 0.05 0.00 -0.40 0.00 0.00 41.96 40.70 1qcg s TYR 49 CO 0.68 -0.22 0.41 0.54 -1.57 0.00 0.00 175.55 175.39 1qcg s VAL 50 N -3.49 -0.01 0.12 0.71 0.11 -0.53 -4.52 120.40 112.78 1qcg s VAL 50 Ca 0.35 0.05 0.02 0.00 -2.93 0.00 0.00 61.98 59.47 1qcg s VAL 50 Cb 0.07 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 34.29 1qcg s VAL 50 CO 0.15 0.02 0.25 -0.76 -3.33 0.00 0.00 175.10 171.43 1qcg s LEU 51 N 0.87 4.31 -0.23 2.54 1.02 -0.20 -1.13 118.68 125.85 1qcg s LEU 51 Ca -0.05 0.19 -0.02 0.00 0.02 0.00 0.00 54.13 54.27 1qcg s LEU 51 Cb -0.06 -2.90 0.07 0.00 0.02 0.00 0.00 46.19 43.33 1qcg s LEU 51 CO -0.07 0.10 0.04 -0.69 0.02 0.00 0.00 176.35 175.75 1qcg s VAL 52 N -1.65 0.75 -0.51 -1.59 1.01 -0.27 -0.54 120.40 117.59 1qcg s VAL 52 Ca 0.34 -0.88 -0.21 0.00 0.00 0.00 0.00 61.98 61.23 1qcg s VAL 52 Cb -0.12 -1.31 0.05 0.00 0.00 0.00 0.00 36.38 35.00 1qcg s VAL 52 CO 0.28 -0.33 0.74 -0.70 0.00 0.00 0.00 175.10 175.09 1qcg s GLU 53 N 1.73 3.22 -0.54 2.72 2.12 0.38 -0.11 118.70 128.22 1qcg s GLU 53 Ca 0.01 -0.60 -0.20 0.00 0.36 0.00 0.00 54.97 54.54 1qcg s GLU 53 Cb -0.17 -4.06 0.06 0.00 0.26 0.00 0.00 34.13 30.22 1qcg s GLU 53 CO -0.13 -1.28 0.73 -0.51 -0.54 0.00 0.00 175.26 173.53 1qcg s LEU 54 N 3.12 4.81 -0.62 2.70 1.43 0.11 -0.76 118.68 129.46 1qcg s LEU 54 Ca 0.22 -0.90 -0.21 0.00 -1.03 0.00 0.00 54.13 52.21 1qcg s LEU 54 Cb -0.16 -2.49 0.08 0.00 0.03 0.00 0.00 46.19 43.65 1qcg s LEU 54 CO 0.15 -1.05 0.84 -1.10 0.23 0.00 0.00 176.35 175.43 1qcg s GLN 55 N 3.04 3.10 0.76 1.70 -0.21 0.39 -2.25 119.66 126.19 1qcg s GLN 55 Ca 0.18 -0.99 -0.03 0.00 0.02 0.00 0.00 55.36 54.54 1qcg s GLN 55 Cb -0.18 -4.22 0.14 0.00 1.00 0.00 0.00 33.01 29.74 1qcg s GLN 55 CO 0.12 -1.66 1.04 0.20 -2.12 0.00 0.00 175.29 172.88 1qcg s GLY 56 N 3.55 1.76 0.85 3.09 0.00 0.24 0.27 107.32 117.08 1qcg s GLY 56 Ca 0.18 -1.61 -0.10 0.00 0.00 0.00 0.00 44.72 43.19 1qcg s GLY 56 CO 0.09 -1.02 1.11 -0.56 0.00 0.00 0.00 173.10 172.72 1qcg s SER 57 N -4.75 3.74 -1.36 1.64 0.01 -1.26 -3.63 113.70 108.09 1qcg s SER 57 Ca 0.67 1.91 -0.08 0.00 1.31 0.00 0.00 55.95 59.76 1qcg s SER 57 Cb -0.05 -2.50 0.02 0.00 0.21 0.00 0.00 66.02 63.70 1qcg s SER 57 CO 0.46 -2.53 1.13 0.59 0.41 0.00 0.00 173.24 173.29 1qcg n ASN 58 N -3.85 -5.50 -2.40 2.44 3.02 -1.26 -2.66 115.26 105.04 1qcg n ASN 58 Ca 0.10 -0.59 -0.12 0.00 -0.03 0.00 0.00 54.58 53.94 1qcg n ASN 58 Cb 0.53 -4.89 -0.01 0.00 -0.61 0.00 0.00 39.78 34.80 1qcg n ASN 58 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1qcg n LYS 59 N -4.84 -2.19 -3.50 3.52 5.02 -1.25 -4.94 118.16 109.97 1qcg n LYS 59 Ca -0.03 0.60 -0.40 0.00 -2.02 0.00 0.00 58.31 56.45 1qcg n LYS 59 Cb 0.57 -5.19 -0.10 0.00 -0.02 0.00 0.00 35.03 30.29 1qcg n LYS 59 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1qcg s LYS 60 N -4.96 3.49 0.07 1.97 -0.14 -1.09 -5.00 119.74 114.08 1qcg s LYS 60 Ca 0.00 -0.61 0.07 0.00 -1.36 0.00 0.00 55.97 54.07 1qcg s LYS 60 Cb 0.00 -3.81 -0.03 0.00 -1.68 0.00 0.00 37.83 32.31 1qcg s LYS 60 CO 0.00 -0.47 -0.20 0.99 -0.76 0.00 0.00 175.35 174.91 1qcg s THR 61 N 1.78 1.64 -0.01 2.17 2.01 -1.26 -0.59 115.64 121.38 1qcg s THR 61 Ca 0.07 -1.32 0.00 0.00 0.31 0.00 0.00 61.69 60.75 1qcg s THR 61 Cb -0.17 -1.46 0.02 0.00 0.01 0.00 0.00 72.50 70.90 1qcg s THR 61 CO 0.11 0.08 0.01 -0.63 -0.69 0.00 0.00 174.62 173.50 1qcg s ILE 62 N -0.95 0.04 -0.17 1.82 1.01 -0.95 -4.08 121.20 117.91 1qcg s ILE 62 Ca 0.07 0.08 -0.03 0.00 0.00 0.00 0.00 60.65 60.77 1qcg s ILE 62 Cb -0.09 -0.11 -0.02 0.00 0.01 0.00 0.00 42.46 42.25 1qcg s ILE 62 CO 0.03 0.07 -0.05 -0.89 0.00 0.00 0.00 174.94 174.09 1qcg s THR 63 N 0.59 3.59 -0.05 2.92 2.01 0.42 -0.72 115.64 124.40 1qcg s THR 63 Ca -0.05 -0.45 -0.14 0.00 0.31 0.00 0.00 61.69 61.36 1qcg s THR 63 Cb -0.08 -2.58 -0.05 0.00 0.01 0.00 0.00 72.50 69.80 1qcg s THR 63 CO -0.01 0.47 0.36 -0.76 -0.69 0.00 0.00 174.62 173.99 1qcg s LEU 64 N 0.75 4.40 -0.22 4.42 1.02 0.84 -0.59 118.68 129.30 1qcg s LEU 64 Ca -0.02 0.81 -0.07 0.00 0.02 0.00 0.00 54.13 54.87 1qcg s LEU 64 Cb -0.15 -2.50 -0.03 0.00 0.02 0.00 0.00 46.19 43.53 1qcg s LEU 64 CO 0.02 0.26 0.06 -0.32 0.02 0.00 0.00 176.35 176.39 1qcg s MET 65 N -0.62 3.76 -0.03 1.70 -2.45 -0.32 -1.12 119.30 120.23 1qcg s MET 65 Ca 0.22 -0.44 0.07 0.00 -1.25 0.00 0.00 55.69 54.29 1qcg s MET 65 Cb -0.15 -3.26 -0.02 0.00 1.25 0.00 0.00 34.83 32.66 1qcg s MET 65 CO 0.10 -0.00 -0.23 -0.51 1.05 0.00 0.00 175.02 175.43 1qcg s LEU 66 N 1.10 2.04 -0.13 4.11 1.02 -0.29 -0.79 118.68 125.74 1qcg s LEU 66 Ca 0.04 -0.44 -0.27 0.00 0.02 0.00 0.00 54.13 53.48 1qcg s LEU 66 Cb -0.14 -1.22 -0.01 0.00 0.02 0.00 0.00 46.19 44.83 1qcg s LEU 66 CO 0.03 0.27 0.91 -0.60 0.02 0.00 0.00 176.35 176.98 1qcg s ARG 67 N -0.41 4.37 0.27 1.70 3.52 -0.75 -1.45 118.95 126.20 1qcg s ARG 67 Ca 0.05 1.19 -0.03 0.00 -0.13 0.00 0.00 55.73 56.81 1qcg s ARG 67 Cb -0.10 -3.55 0.37 0.00 -1.56 0.00 0.00 34.95 30.11 1qcg s ARG 67 CO 0.00 -0.30 1.94 0.00 -0.81 0.00 0.00 175.30 176.13 1qcg h ARG 68 N 7.18 1.19 -1.00 5.12 3.08 -1.06 0.38 114.38 129.27 1qcg h ARG 68 Ca -0.31 -0.07 0.12 0.00 0.07 0.00 0.00 59.98 59.79 1qcg h ARG 68 Cb 1.14 -0.27 -0.08 0.00 0.08 0.00 0.00 29.97 30.84 1qcg h ARG 68 CO 0.84 0.79 0.63 -0.97 -1.07 0.00 0.00 179.97 180.19 1qcg h ASN 69 N 1.22 0.92 0.00 7.04 -0.73 -1.76 -3.33 115.58 118.95 1qcg h ASN 69 Ca 0.36 0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.57 1qcg h ASN 69 Cb -0.07 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 38.38 1qcg h ASN 69 CO -0.09 0.49 0.00 -0.46 -0.37 0.00 0.00 177.43 177.00 1qcg n ASN 70 N -4.61 0.45 -1.32 1.15 0.23 -1.19 -3.53 115.26 106.44 1qcg n ASN 70 Ca 0.19 -1.04 -0.17 0.00 -0.53 0.00 0.00 54.58 53.03 1qcg n ASN 70 Cb 0.36 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 37.98 1qcg n ASN 70 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1qcg n LEU 71 N -0.02 -1.15 -4.78 -4.53 4.77 0.13 -4.98 117.00 106.45 1qcg n LEU 71 Ca 0.00 0.43 -0.37 0.00 -0.03 0.00 0.00 56.01 56.03 1qcg n LEU 71 Cb 0.17 -2.65 -0.05 0.00 -2.33 0.00 0.00 43.42 38.55 1qcg n LEU 71 CO 0.00 -1.00 0.70 -0.31 -1.33 0.00 0.00 177.39 175.45 1qcg s TYR 72 N -2.53 3.53 -0.15 -1.77 4.12 -1.25 -4.74 117.35 114.55 1qcg s TYR 72 Ca 0.00 1.73 -0.29 0.00 0.02 0.00 0.00 57.07 58.53 1qcg s TYR 72 Cb 0.00 -3.05 -0.01 0.00 -1.52 0.00 0.00 41.96 37.39 1qcg s TYR 72 CO 0.00 -0.19 1.00 0.08 0.02 0.00 0.00 175.55 176.46 1qcg s VAL 73 N -1.56 4.76 -0.18 0.71 1.01 -1.26 -1.80 120.40 122.08 1qcg s VAL 73 Ca 0.52 1.99 0.20 0.00 0.00 0.00 0.00 61.98 64.69 1qcg s VAL 73 Cb -0.22 -4.29 -0.07 0.00 0.00 0.00 0.00 36.38 31.80 1qcg s VAL 73 CO 0.28 -0.05 0.93 0.23 0.00 0.00 0.00 175.10 176.48 1qcg n MET 74 N 5.43 0.61 -3.82 2.72 0.00 0.03 -4.96 117.12 117.13 1qcg n MET 74 Ca 0.09 0.15 0.00 0.00 0.00 0.00 0.00 57.70 57.94 1qcg n MET 74 Cb 0.48 -1.81 0.00 0.00 0.00 0.00 0.00 33.22 31.89 1qcg n MET 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1qcg n GLY 75 N 1.27 -1.98 3.39 3.03 0.00 -1.25 -1.84 105.19 107.81 1qcg n GLY 75 Ca -0.04 -1.21 -0.10 0.00 0.00 0.00 0.00 46.02 44.67 1qcg n GLY 75 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qcg s TYR 76 N -2.51 0.26 0.16 1.61 1.13 -0.44 -1.17 117.35 116.39 1qcg s TYR 76 Ca 0.00 -0.62 0.07 0.00 -1.41 0.00 0.00 57.07 55.11 1qcg s TYR 76 Cb 0.00 0.06 -0.04 0.00 -1.10 0.00 0.00 41.96 40.88 1qcg s TYR 76 CO 0.00 -0.77 -0.15 -1.54 -2.51 0.00 0.00 175.55 170.58 1qcg s SER 77 N -2.94 2.28 -0.06 -0.18 1.04 0.24 -0.03 113.70 114.05 1qcg s SER 77 Ca 0.15 -0.91 -0.06 0.00 0.48 0.00 0.00 55.95 55.61 1qcg s SER 77 Cb 0.02 -0.10 0.02 0.00 0.10 0.00 0.00 66.02 66.06 1qcg s SER 77 CO -0.01 -0.15 0.17 1.51 0.98 0.00 0.00 173.24 175.74 1qcg s ASP 78 N -2.83 -0.16 0.14 7.02 -4.77 -0.57 -0.43 116.67 115.07 1qcg s ASP 78 Ca 0.15 0.30 -0.31 0.00 -3.30 0.00 0.00 52.55 49.39 1qcg s ASP 78 Cb -0.03 0.34 -0.10 0.00 -1.09 0.00 0.00 42.92 42.05 1qcg s ASP 78 CO 0.04 -0.09 1.66 -2.84 0.70 0.00 0.00 175.17 174.64 1qcg s PRO 79 N -0.05 4.18 0.07 2.11 0.02 -1.26 -1.84 135.00 138.24 1qcg s PRO 79 Ca -0.01 2.43 0.07 0.00 0.02 0.00 0.00 61.00 63.50 1qcg s PRO 79 Cb -0.02 -3.33 -0.03 0.00 0.02 0.00 0.00 34.50 31.14 1qcg s PRO 79 CO 0.00 -0.70 -0.19 0.12 -0.33 0.00 0.00 177.00 175.91 1qcg s PHE 80 N 1.81 1.61 0.00 6.54 5.36 -0.02 -3.28 117.98 129.99 1qcg s PHE 80 Ca 0.74 -0.40 0.00 0.00 -0.96 0.00 0.00 56.93 56.30 1qcg s PHE 80 Cb -0.44 -0.92 0.00 0.00 -0.34 0.00 0.00 43.02 41.32 1qcg s PHE 80 CO 0.32 0.12 0.00 0.39 -1.46 0.00 0.00 175.22 174.60 1qcg n GLU 81 N 1.45 0.00 0.00 10.12 1.02 -1.26 -1.29 120.64 130.68 1qcg n GLU 81 Ca -0.19 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.95 1qcg n GLU 81 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.96 1qcg n GLU 81 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1qcg n THR 82 N 0.00 0.00 -2.69 2.62 -1.04 -1.26 -4.53 114.28 107.37 1qcg n THR 82 Ca 0.00 0.65 0.02 0.00 -2.04 0.00 0.00 64.05 62.67 1qcg n THR 82 Cb 0.00 -1.36 0.04 0.00 -1.82 0.00 0.00 70.33 67.19 1qcg n THR 82 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1qcg n ASN 83 N -0.23 1.34 -4.94 8.00 6.94 -1.25 -5.10 115.26 120.03 1qcg n ASN 83 Ca 0.00 -2.02 -0.24 0.00 -0.02 0.00 0.00 54.58 52.30 1qcg n ASN 83 Cb 0.00 -0.40 0.00 0.00 -2.36 0.00 0.00 39.78 37.02 1qcg n ASN 83 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1qcg s LYS 84 N -2.22 3.29 -0.28 -3.83 1.02 -0.41 -4.94 119.74 112.37 1qcg s LYS 84 Ca 0.30 -0.31 0.02 0.00 0.02 0.00 0.00 55.97 56.00 1qcg s LYS 84 Cb 0.35 -2.56 0.06 0.00 -0.52 0.00 0.00 37.83 35.16 1qcg s LYS 84 CO -0.09 -0.11 -0.07 0.00 -0.92 0.00 0.00 175.35 174.15 1qcg s ARG 86 N 1.13 3.82 -0.11 0.00 3.52 -0.77 -0.23 118.95 126.31 1qcg s ARG 86 Ca -0.07 -0.03 -0.05 0.00 -0.13 0.00 0.00 55.73 55.45 1qcg s ARG 86 Cb -0.20 -3.73 -0.04 0.00 -1.56 0.00 0.00 34.95 29.42 1qcg s ARG 86 CO -0.04 -0.47 0.09 1.52 -0.81 0.00 0.00 175.30 175.59 1qcg s TYR 87 N 2.24 3.44 -0.23 5.12 1.13 0.22 -1.51 117.35 127.77 1qcg s TYR 87 Ca 0.17 0.41 0.01 0.00 -1.41 0.00 0.00 57.07 56.26 1qcg s TYR 87 Cb -0.16 -1.89 0.05 0.00 -1.10 0.00 0.00 41.96 38.86 1qcg s TYR 87 CO 0.11 0.63 -0.09 -1.01 -2.51 0.00 0.00 175.55 172.69 1qcg s HIS 88 N -0.94 2.69 -0.13 -3.49 3.76 0.96 -1.55 115.29 116.59 1qcg s HIS 88 Ca 0.14 -1.89 -0.08 0.00 -0.15 0.00 0.00 55.06 53.08 1qcg s HIS 88 Cb -0.12 -1.72 -0.04 0.00 1.11 0.00 0.00 32.58 31.81 1qcg s HIS 88 CO 0.03 -0.80 0.15 0.42 -0.85 0.00 0.00 174.74 173.69 1qcg s ILE 89 N 1.30 5.47 0.45 0.60 1.01 -1.26 -1.32 121.20 127.44 1qcg s ILE 89 Ca -0.05 0.23 -0.24 0.00 0.00 0.00 0.00 60.65 60.59 1qcg s ILE 89 Cb -0.18 -3.43 -0.08 0.00 0.01 0.00 0.00 42.46 38.78 1qcg s ILE 89 CO -0.07 0.58 1.29 -0.36 0.00 0.00 0.00 174.94 176.38 1qcg s PHE 90 N -0.70 2.71 0.59 3.97 0.08 -0.77 -1.50 117.98 122.37 1qcg s PHE 90 Ca 0.14 1.42 0.29 0.00 0.12 0.00 0.00 56.93 58.90 1qcg s PHE 90 Cb -0.12 -3.64 1.59 0.00 -0.57 0.00 0.00 43.02 40.28 1qcg s PHE 90 CO 0.03 -2.16 2.01 -0.97 -0.10 0.00 0.00 175.22 174.03 1qcg h ASN 91 N 2.29 0.00 -0.44 1.36 -1.24 -0.79 -1.59 115.58 115.17 1qcg h ASN 91 Ca -0.50 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.51 1qcg h ASN 91 Cb 1.26 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.31 1qcg h ASN 91 CO 0.61 0.00 0.00 -0.90 -1.29 0.00 0.00 177.43 175.85 1qcg n ASP 92 N -3.71 2.79 -4.74 1.15 5.68 -1.26 -4.84 116.55 111.62 1qcg n ASP 92 Ca 0.04 -2.13 -0.36 0.00 -0.50 0.00 0.00 54.79 51.84 1qcg n ASP 92 Cb 0.46 -0.38 -0.07 0.00 -1.14 0.00 0.00 41.12 39.99 1qcg n ASP 92 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1qcg s ILE 93 N -1.54 5.31 0.40 2.12 -1.09 -0.60 -5.06 121.20 120.73 1qcg s ILE 93 Ca 0.31 0.51 0.04 0.00 -2.23 0.00 0.00 60.65 59.28 1qcg s ILE 93 Cb 0.18 -3.61 -0.04 0.00 -1.58 0.00 0.00 42.46 37.41 1qcg s ILE 93 CO 0.18 0.41 0.07 -0.44 -1.23 0.00 0.00 174.94 173.93 1qcg s SER 94 N 0.36 2.98 0.50 3.58 0.01 -1.26 -4.81 113.70 115.06 1qcg s SER 94 Ca 0.16 -1.54 0.00 0.00 1.31 0.00 0.00 55.95 55.88 1qcg s SER 94 Cb -0.13 0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.33 1qcg s SER 94 CO 0.04 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 173.53 1qcg n GLY 95 N -0.90 1.87 0.28 3.44 0.00 -1.26 -2.67 105.19 105.95 1qcg n GLY 95 Ca -0.07 -0.38 0.15 0.00 0.00 0.00 0.00 46.02 45.71 1qcg n GLY 95 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1qcg h THR 96 N 0.00 0.48 0.00 2.61 1.35 -2.01 -1.66 112.91 113.69 1qcg h THR 96 Ca 0.00 -0.29 -0.01 0.00 -0.55 0.00 0.00 66.41 65.56 1qcg h THR 96 Cb 0.00 1.19 -0.00 0.00 -1.73 0.00 0.00 68.15 67.61 1qcg h THR 96 CO 0.00 0.06 -0.04 -0.33 -0.25 0.00 0.00 175.52 174.96 1qcg h GLU 97 N 0.00 0.00 -0.21 4.72 5.08 -1.92 -1.77 114.58 120.48 1qcg h GLU 97 Ca -0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 1qcg h GLU 97 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1qcg h GLU 97 CO 0.01 0.04 -0.52 0.00 -1.00 0.00 0.00 179.01 177.54 1qcg h ARG 98 N 0.00 0.72 0.00 2.33 3.08 -1.32 -1.95 114.38 117.24 1qcg h ARG 98 Ca -0.00 -0.50 -0.04 0.00 0.07 0.00 0.00 59.98 59.51 1qcg h ARG 98 Cb 0.25 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1qcg h ARG 98 CO 0.01 1.12 -0.18 0.37 -1.07 0.00 0.00 179.97 180.22 1qcg h GLN 99 N 0.44 0.00 -0.47 0.04 5.75 -1.62 -2.93 115.11 116.33 1qcg h GLN 99 Ca -0.01 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.36 1qcg h GLN 99 Cb 1.13 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.67 1qcg h GLN 99 CO 0.11 0.18 -0.24 -0.44 -2.65 0.00 0.00 178.83 175.79 1qcg h ASP 100 N 0.00 1.01 -0.46 -0.69 5.19 -1.14 0.13 116.42 120.45 1qcg h ASP 100 Ca -0.00 -0.39 -0.13 0.00 -0.62 0.00 0.00 57.03 55.89 1qcg h ASP 100 Cb 0.93 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 40.15 1qcg h ASP 100 CO 0.02 1.19 -0.20 0.58 -3.12 0.00 0.00 179.24 177.71 1qcg h VAL 101 N 0.84 1.27 0.27 -1.35 2.07 -1.26 -0.21 116.25 117.87 1qcg h VAL 101 Ca 0.10 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 1qcg h VAL 101 Cb 0.82 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1qcg h VAL 101 CO 0.07 0.47 -0.13 -0.08 0.02 0.00 0.00 177.57 177.92 1qcg h GLU 102 N 0.84 -0.35 0.00 1.57 4.81 -1.37 -2.04 114.58 118.05 1qcg h GLU 102 Ca 0.11 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 1qcg h GLU 102 Cb 0.77 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 1qcg h GLU 102 CO 0.06 -0.07 -0.26 1.79 -0.73 0.00 0.00 179.01 179.80 1qcg h THR 103 N -0.61 0.53 0.08 0.32 1.35 -0.99 -1.71 112.91 111.89 1qcg h THR 103 Ca -0.04 -1.38 -0.15 0.00 -0.55 0.00 0.00 66.41 64.30 1qcg h THR 103 Cb 0.44 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.83 1qcg h THR 103 CO 0.06 0.25 -0.71 0.74 -0.25 0.00 0.00 175.52 175.62 1qcg h THR 104 N 0.00 1.45 -0.22 6.82 2.02 -1.08 -3.19 112.91 118.71 1qcg h THR 104 Ca -0.00 -2.42 -0.09 0.00 0.77 0.00 0.00 66.41 64.68 1qcg h THR 104 Cb 0.95 3.08 -0.00 0.00 -1.74 0.00 0.00 68.15 70.43 1qcg h THR 104 CO 0.03 0.64 -0.20 -0.07 0.37 0.00 0.00 175.52 176.30 1qcg h LEU 105 N -0.63 0.55 -7.10 2.58 3.38 -1.44 -3.38 115.31 109.27 1qcg h LEU 105 Ca -0.15 -0.47 -0.62 0.00 0.09 0.00 0.00 57.88 56.73 1qcg h LEU 105 Cb 1.42 -0.15 -0.41 0.00 0.09 0.00 0.00 40.66 41.61 1qcg h LEU 105 CO 0.05 0.90 -0.64 0.00 0.09 0.00 0.00 178.44 178.84 1qcg h PRO 107 N 5.87 0.08 -6.35 0.00 0.11 -1.74 -3.40 132.00 126.56 1qcg h PRO 107 Ca 0.07 -0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.60 1qcg h PRO 107 Cb 0.82 -0.02 -0.09 0.00 0.11 0.00 0.00 31.00 31.82 1qcg h PRO 107 CO 0.66 0.05 0.77 1.21 -0.21 0.00 0.00 178.00 180.49 1qcg s ASN 108 N -6.89 6.49 0.42 -2.05 3.84 -1.26 -4.88 114.94 110.61 1qcg s ASN 108 Ca -0.06 0.11 0.21 0.00 0.21 0.00 0.00 52.86 53.34 1qcg s ASN 108 Cb 0.17 -2.50 0.87 0.00 -0.55 0.00 0.00 41.25 39.25 1qcg s ASN 108 CO 0.69 -1.25 1.82 0.00 -2.79 0.00 0.00 177.10 175.56 1qcg h ALA 109 N 9.29 1.06 0.00 1.71 0.00 -1.98 -2.97 119.26 126.38 1qcg h ALA 109 Ca -0.24 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 1qcg h ALA 109 Cb 1.07 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1qcg h ALA 109 CO 1.11 0.36 -0.14 -0.97 0.00 0.00 0.00 179.25 179.61 1qcg h ASN 110 N 0.00 0.00 0.00 0.00 -0.00 -1.95 -3.34 115.58 110.29 1qcg h ASN 110 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1qcg h ASN 110 Cb 0.75 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.07 1qcg h ASN 110 CO 0.04 0.14 0.00 -1.54 -0.00 0.00 0.00 177.43 176.06 1qcg n SER 111 N -3.23 1.39 -4.86 1.15 3.41 -1.18 -5.06 113.62 105.25 1qcg n SER 111 Ca 0.01 -1.63 -0.32 0.00 -0.26 0.00 0.00 58.87 56.67 1qcg n SER 111 Cb 0.44 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.33 1qcg n SER 111 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qcg s ARG 112 N -0.63 3.94 0.00 4.33 1.70 -1.13 -2.12 118.95 125.04 1qcg s ARG 112 Ca 0.00 0.64 -0.01 0.00 -0.47 0.00 0.00 55.73 55.88 1qcg s ARG 112 Cb 0.00 -2.39 -0.01 0.00 -0.57 0.00 0.00 34.95 31.98 1qcg s ARG 112 CO 0.00 0.07 0.01 0.54 -1.08 0.00 0.00 175.30 174.84 1qcg s VAL 113 N -2.15 0.05 0.03 4.99 0.11 0.68 -4.87 120.40 119.24 1qcg s VAL 113 Ca 0.54 -0.41 -0.05 0.00 -2.93 0.00 0.00 61.98 59.13 1qcg s VAL 113 Cb -0.10 -0.16 -0.05 0.00 -1.53 0.00 0.00 36.38 34.54 1qcg s VAL 113 CO 0.22 -0.23 0.26 -0.55 -3.33 0.00 0.00 175.10 171.48 1qcg s SER 114 N -0.68 6.45 -0.38 3.54 0.15 -1.26 -0.61 113.70 120.91 1qcg s SER 114 Ca -0.07 0.48 0.07 0.00 0.70 0.00 0.00 55.95 57.12 1qcg s SER 114 Cb -0.05 -2.06 0.18 0.00 -1.71 0.00 0.00 66.02 62.39 1qcg s SER 114 CO -0.00 0.21 0.57 -0.75 1.20 0.00 0.00 173.24 174.47 1qcg s LYS 115 N -2.03 0.72 0.83 5.44 2.20 -0.60 -4.91 119.74 121.40 1qcg s LYS 115 Ca 0.31 -0.20 -0.12 0.00 -0.36 0.00 0.00 55.97 55.59 1qcg s LYS 115 Cb -0.13 -0.03 0.10 0.00 -1.51 0.00 0.00 37.83 36.26 1qcg s LYS 115 CO 0.19 -1.16 1.17 -0.80 -0.36 0.00 0.00 175.35 174.40 1qcg s ASN 116 N 1.98 3.51 -0.52 1.43 0.02 -1.26 -3.90 114.94 116.21 1qcg s ASN 116 Ca 0.15 2.25 -0.15 0.00 -1.02 0.00 0.00 52.86 54.08 1qcg s ASN 116 Cb -0.07 -2.57 0.11 0.00 0.02 0.00 0.00 41.25 38.74 1qcg s ASN 116 CO -0.11 -2.72 0.46 -0.63 0.02 0.00 0.00 177.10 174.13 1qcg s ILE 117 N -2.38 5.16 0.00 0.60 1.01 -0.56 -4.84 121.20 120.18 1qcg s ILE 117 Ca 0.70 -1.39 0.00 0.00 0.00 0.00 0.00 60.65 59.96 1qcg s ILE 117 Cb -0.25 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 37.97 1qcg s ILE 117 CO 0.53 -0.78 0.91 0.59 0.00 0.00 0.00 174.94 176.19 1qcg n ASN 118 N 5.22 2.55 -3.43 3.58 5.03 -1.26 -2.02 115.26 124.93 1qcg n ASN 118 Ca -0.13 -1.54 -0.12 0.00 0.87 0.00 0.00 54.58 53.65 1qcg n ASN 118 Cb 0.41 -0.49 -0.02 0.00 -1.02 0.00 0.00 39.78 38.66 1qcg n ASN 118 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 1qcg s PHE 119 N 0.54 -0.55 0.88 3.10 -0.12 -1.26 -4.94 117.98 115.63 1qcg s PHE 119 Ca 0.00 0.39 -0.13 0.00 -0.05 0.00 0.00 56.93 57.13 1qcg s PHE 119 Cb 0.00 0.55 0.15 0.00 -0.63 0.00 0.00 43.02 43.09 1qcg s PHE 119 CO 0.00 -0.83 1.24 0.16 -0.05 0.00 0.00 175.22 175.74 1qcg s ASP 120 N -2.63 3.76 0.00 1.98 1.47 -1.26 -2.03 116.67 117.96 1qcg s ASP 120 Ca 0.00 0.41 0.18 0.00 1.18 0.00 0.00 52.55 54.33 1qcg s ASP 120 Cb -0.01 -0.66 0.72 0.00 -0.34 0.00 0.00 42.92 42.63 1qcg s ASP 120 CO -0.11 -2.34 1.52 -1.54 0.68 0.00 0.00 175.17 173.38 1qcg n SER 121 N -3.51 1.38 -4.78 2.11 3.41 -1.26 -4.57 113.62 106.40 1qcg n SER 121 Ca 0.12 -1.71 -0.41 0.00 -0.26 0.00 0.00 58.87 56.62 1qcg n SER 121 Cb 0.60 -0.10 -0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1qcg n SER 121 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1qcg s ARG 122 N -1.79 4.10 0.32 4.33 0.52 -1.26 -4.81 118.95 120.36 1qcg s ARG 122 Ca 0.29 2.46 0.04 0.00 -0.52 0.00 0.00 55.73 58.01 1qcg s ARG 122 Cb 0.15 -2.94 0.65 0.00 0.52 0.00 0.00 34.95 33.34 1qcg s ARG 122 CO 0.23 -0.50 1.89 1.88 0.02 0.00 0.00 175.30 178.83 1qcg h TYR 123 N 2.98 0.96 0.00 -0.53 0.05 -1.99 -0.00 116.97 118.44 1qcg h TYR 123 Ca -0.50 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.25 1qcg h TYR 123 Cb 1.24 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 38.66 1qcg h TYR 123 CO 0.53 0.43 -0.26 -1.35 -1.05 0.00 0.00 178.16 176.47 1qcg h PRO 124 N 0.88 0.00 0.05 4.88 0.11 -1.99 0.14 132.00 136.08 1qcg h PRO 124 Ca 0.42 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.53 1qcg h PRO 124 Cb 0.43 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.54 1qcg h PRO 124 CO -0.18 0.26 -0.02 1.15 -0.21 0.00 0.00 178.00 178.99 1qcg h THR 125 N 0.00 1.31 -0.85 -1.15 2.02 -1.40 -2.60 112.91 110.24 1qcg h THR 125 Ca -0.00 -1.42 0.05 0.00 0.77 0.00 0.00 66.41 65.80 1qcg h THR 125 Cb 0.55 2.21 -0.05 0.00 -1.74 0.00 0.00 68.15 69.12 1qcg h THR 125 CO 0.03 0.34 0.56 -0.07 0.37 0.00 0.00 175.52 176.76 1qcg h LEU 126 N -0.72 0.88 -0.61 2.58 3.38 -0.98 -0.35 115.31 119.50 1qcg h LEU 126 Ca -0.01 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 1qcg h LEU 126 Cb 0.62 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1qcg h LEU 126 CO 0.01 0.59 -0.25 -0.33 0.09 0.00 0.00 178.44 178.55 1qcg h GLU 127 N 1.02 0.84 -0.40 1.13 5.08 -1.04 -0.91 114.58 120.29 1qcg h GLU 127 Ca 0.35 -0.36 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1qcg h GLU 127 Cb 0.11 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1qcg h GLU 127 CO -0.12 0.99 0.01 1.03 -1.00 0.00 0.00 179.01 179.92 1qcg h SER 128 N 0.72 0.69 -0.40 1.42 0.87 -0.86 -1.00 113.55 114.99 1qcg h SER 128 Ca 0.09 -0.30 -0.08 0.00 -1.23 0.00 0.00 61.79 60.27 1qcg h SER 128 Cb 0.79 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.54 1qcg h SER 128 CO 0.07 0.83 -0.03 0.11 -0.53 0.00 0.00 176.83 177.27 1qcg h LYS 129 N 0.54 0.81 0.00 2.24 1.79 -0.94 -2.26 116.57 118.75 1qcg h LYS 129 Ca 0.12 -0.23 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 1qcg h LYS 129 Cb 0.47 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 1qcg h LYS 129 CO 0.02 0.83 0.00 0.00 -1.08 0.00 0.00 179.45 179.22 1qcg n ALA 130 N -2.48 2.21 -2.34 3.86 0.00 -0.36 -3.70 120.51 117.70 1qcg n ALA 130 Ca 0.02 -0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.24 1qcg n ALA 130 Cb 0.32 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.40 1qcg n ALA 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qcg n GLY 131 N 0.66 -0.04 3.26 0.00 0.00 -0.85 -5.00 105.19 103.22 1qcg n GLY 131 Ca 0.12 -0.39 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 1qcg n GLY 131 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qcg s VAL 132 N -2.64 1.49 0.16 1.61 -7.23 -0.44 -5.03 120.40 108.31 1qcg s VAL 132 Ca 0.05 -1.70 0.08 0.00 -1.81 0.00 0.00 61.98 58.60 1qcg s VAL 132 Cb -0.02 -1.57 -0.15 0.00 0.56 0.00 0.00 36.38 35.20 1qcg s VAL 132 CO 0.06 -0.32 1.38 0.11 -0.31 0.00 0.00 175.10 176.02 1qcg h LYS 133 N 3.61 0.00 -3.27 4.82 6.56 -1.96 -3.37 116.57 122.96 1qcg h LYS 133 Ca -0.41 0.00 -0.15 0.00 -1.06 0.00 0.00 60.65 59.03 1qcg h LYS 133 Cb 1.20 0.00 -0.23 0.00 -0.57 0.00 0.00 32.23 32.63 1qcg h LYS 133 CO 0.48 0.88 -0.43 0.45 -2.06 0.00 0.00 179.45 178.77 1qcg s SER 134 N -6.74 -0.13 0.00 0.86 0.15 -1.26 -5.01 113.70 101.57 1qcg s SER 134 Ca 0.00 0.13 0.17 0.00 0.70 0.00 0.00 55.95 56.96 1qcg s SER 134 Cb 0.11 0.34 0.95 0.00 -1.71 0.00 0.00 66.02 65.70 1qcg s SER 134 CO 0.80 -0.27 1.48 -2.11 1.20 0.00 0.00 173.24 174.35 1qcg n ARG 135 N 2.03 0.38 0.24 5.44 1.85 -1.26 -1.56 116.66 123.78 1qcg n ARG 135 Ca -0.18 0.07 0.13 0.00 -1.00 0.00 0.00 57.85 56.87 1qcg n ARG 135 Cb 0.57 -1.50 0.51 0.00 -1.05 0.00 0.00 32.46 30.99 1qcg n ARG 135 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1qcg h SER 136 N 0.00 0.00 1.23 2.89 4.64 -1.95 -2.28 113.55 118.08 1qcg h SER 136 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qcg h SER 136 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1qcg h SER 136 CO 0.00 0.12 -0.13 0.00 -0.87 0.00 0.00 176.83 175.96 1qcg n GLN 137 N -3.25 0.20 -3.49 4.77 6.02 -0.60 -4.35 117.38 116.68 1qcg n GLN 137 Ca 0.01 0.14 -0.42 0.00 -0.01 0.00 0.00 57.00 56.71 1qcg n GLN 137 Cb 0.40 -1.71 -0.10 0.00 1.02 0.00 0.00 30.24 29.85 1qcg n GLN 137 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1qcg s VAL 138 N -3.09 5.16 0.50 5.09 1.01 -0.86 -5.07 120.40 123.15 1qcg s VAL 138 Ca 0.11 -0.65 -0.21 0.00 0.00 0.00 0.00 61.98 61.23 1qcg s VAL 138 Cb 0.14 -3.86 -0.07 0.00 0.00 0.00 0.00 36.38 32.59 1qcg s VAL 138 CO 0.61 -0.27 1.10 -1.10 0.00 0.00 0.00 175.10 175.44 1qcg s GLN 139 N 1.67 3.60 0.39 2.72 -0.21 -1.26 -4.52 119.66 122.04 1qcg s GLN 139 Ca 0.05 1.56 0.08 0.00 0.02 0.00 0.00 55.36 57.07 1qcg s GLN 139 Cb -0.19 -2.13 -0.02 0.00 1.00 0.00 0.00 33.01 31.67 1qcg s GLN 139 CO 0.10 -0.64 0.34 -0.51 -2.12 0.00 0.00 175.29 172.46 1qcg s LEU 140 N -3.50 3.45 0.00 2.90 1.43 -0.00 -4.89 118.68 118.07 1qcg s LEU 140 Ca 0.69 -0.67 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 1qcg s LEU 140 Cb -0.22 -2.09 0.00 0.00 0.03 0.00 0.00 46.19 43.90 1qcg s LEU 140 CO 0.26 -0.55 0.00 0.61 0.23 0.00 0.00 176.35 176.90 1qcg n GLY 141 N -1.48 3.82 0.15 -3.19 0.00 -1.26 -1.39 105.19 101.83 1qcg n GLY 141 Ca 0.02 -0.77 -0.11 0.00 0.00 0.00 0.00 46.02 45.16 1qcg n GLY 141 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1qcg h ILE 142 N 4.47 0.75 0.00 -0.61 1.08 -1.79 0.61 117.51 122.01 1qcg h ILE 142 Ca 0.00 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.40 1qcg h ILE 142 Cb 0.00 0.75 -0.01 0.00 -3.07 0.00 0.00 36.82 34.49 1qcg h ILE 142 CO 0.00 0.00 -0.33 0.06 -0.69 0.00 0.00 178.15 177.19 1qcg h GLN 143 N -0.18 0.00 -0.25 2.37 -0.00 -1.90 -0.98 115.11 114.17 1qcg h GLN 143 Ca 0.03 0.00 -0.18 0.00 -0.00 0.00 0.00 58.65 58.50 1qcg h GLN 143 Cb 0.22 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.70 1qcg h GLN 143 CO -0.09 0.33 -0.56 0.82 -0.00 0.00 0.00 178.83 179.32 1qcg h ILE 144 N 0.00 1.29 -0.41 1.86 2.04 -1.75 -1.50 117.51 119.05 1qcg h ILE 144 Ca -0.00 -1.77 -0.02 0.00 1.00 0.00 0.00 64.86 64.06 1qcg h ILE 144 Cb 0.59 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.35 1qcg h ILE 144 CO 0.04 0.57 0.16 0.25 0.00 0.00 0.00 178.15 179.17 1qcg h LEU 145 N 0.59 0.56 -0.43 1.44 5.85 -0.25 -1.64 115.31 121.42 1qcg h LEU 145 Ca 0.01 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.58 1qcg h LEU 145 Cb 1.15 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 1qcg h LEU 145 CO 0.12 0.58 0.25 -0.78 -0.34 0.00 0.00 178.44 178.27 1qcg h ASP 146 N 0.51 0.41 -0.83 1.25 3.58 -1.13 -1.16 116.42 119.05 1qcg h ASP 146 Ca 0.14 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.55 1qcg h ASP 146 Cb 0.19 -0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.12 1qcg h ASP 146 CO -0.01 0.30 0.37 -1.28 -2.88 0.00 0.00 179.24 175.74 1qcg h SER 147 N 0.51 1.11 0.07 2.28 0.87 -1.05 -2.23 113.55 115.11 1qcg h SER 147 Ca 0.17 -0.15 -0.16 0.00 -1.23 0.00 0.00 61.79 60.42 1qcg h SER 147 Cb 0.01 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 61.68 1qcg h SER 147 CO -0.08 0.95 -0.56 0.78 -0.53 0.00 0.00 176.83 177.40 1qcg h ASN 148 N 1.20 0.58 -0.23 6.23 -0.26 -0.97 -2.53 115.58 119.59 1qcg h ASN 148 Ca 0.28 -0.31 0.00 0.00 -0.56 0.00 0.00 56.30 55.71 1qcg h ASN 148 Cb 0.16 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.24 1qcg h ASN 148 CO -0.03 1.01 0.15 0.40 -1.06 0.00 0.00 177.43 177.90 1qcg h ILE 149 N 0.40 1.06 0.00 2.81 2.04 -0.99 -2.41 117.51 120.42 1qcg h ILE 149 Ca 0.01 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 1qcg h ILE 149 Cb 1.09 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1qcg h ILE 149 CO 0.10 0.06 -0.08 1.23 0.00 0.00 0.00 178.15 179.47 1qcg h GLY 150 N 0.30 0.00 2.00 5.37 0.00 -1.31 0.81 103.07 110.24 1qcg h GLY 150 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 1qcg h GLY 150 CO -0.02 0.00 -0.08 0.50 0.00 0.00 0.00 176.54 176.94 1qcg h LYS 151 N 0.00 0.00 0.00 4.80 1.57 -0.99 -3.39 116.57 118.56 1qcg h LYS 151 Ca -0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.51 1qcg h LYS 151 Cb 0.22 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 1qcg h LYS 151 CO 0.01 0.08 -1.83 -0.89 -0.57 0.00 0.00 179.45 176.25 1qcg n ILE 152 N -3.14 1.19 -1.61 1.86 2.08 -0.56 -4.77 119.36 114.41 1qcg n ILE 152 Ca 0.03 -0.18 -0.50 0.00 0.56 0.00 0.00 62.75 62.66 1qcg n ILE 152 Cb 0.50 -1.86 -0.06 0.00 -0.75 0.00 0.00 39.64 37.48 1qcg n ILE 152 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1qcg n SER 153 N -3.98 2.88 0.00 4.38 2.88 0.17 -1.91 113.62 118.04 1qcg n SER 153 Ca -0.34 0.76 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 1qcg n SER 153 Cb 0.70 -1.32 0.00 0.00 -0.75 0.00 0.00 64.21 62.84 1qcg n SER 153 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1qcg n GLY 154 N 5.11 2.96 3.65 0.46 0.00 -1.21 -4.90 105.19 111.27 1qcg n GLY 154 Ca 0.29 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.90 1qcg n GLY 154 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qcg s VAL 155 N -2.74 4.92 0.09 1.61 -7.23 -0.80 -4.58 120.40 111.67 1qcg s VAL 155 Ca 0.00 1.38 -0.34 0.00 -1.81 0.00 0.00 61.98 61.21 1qcg s VAL 155 Cb 0.00 -4.03 -0.15 0.00 0.56 0.00 0.00 36.38 32.76 1qcg s VAL 155 CO 0.00 0.01 1.58 -0.03 -0.31 0.00 0.00 175.10 176.35 1qcg h MET 156 N 7.63 -0.84 -6.20 4.82 1.85 -1.94 -3.43 114.93 116.81 1qcg h MET 156 Ca -0.27 0.06 -0.69 0.00 -0.61 0.00 0.00 59.70 58.19 1qcg h MET 156 Cb 1.12 0.19 -0.25 0.00 0.43 0.00 0.00 31.60 33.09 1qcg h MET 156 CO 0.82 -0.56 -0.79 -1.12 -0.40 0.00 0.00 176.91 174.86 1qcg s SER 157 N -4.50 3.88 -0.11 1.39 0.01 -1.26 -5.11 113.70 108.01 1qcg s SER 157 Ca -0.17 -0.25 -0.22 0.00 1.31 0.00 0.00 55.95 56.62 1qcg s SER 157 Cb 0.05 -0.90 0.05 0.00 0.21 0.00 0.00 66.02 65.43 1qcg s SER 157 CO 0.62 0.31 0.53 0.72 0.41 0.00 0.00 173.24 175.83 1qcg s PHE 158 N -0.55 -0.52 0.77 2.43 -0.12 -1.26 -5.08 117.98 113.66 1qcg s PHE 158 Ca 0.07 1.08 -0.11 0.00 -0.05 0.00 0.00 56.93 57.92 1qcg s PHE 158 Cb -0.11 0.24 0.06 0.00 -0.63 0.00 0.00 43.02 42.57 1qcg s PHE 158 CO 0.01 -0.41 1.08 -0.08 -0.05 0.00 0.00 175.22 175.77 1qcg s THR 159 N -0.55 3.39 0.40 -4.49 -1.32 -1.26 -4.90 115.64 106.91 1qcg s THR 159 Ca -0.07 0.45 0.10 0.00 -1.21 0.00 0.00 61.69 60.97 1qcg s THR 159 Cb -0.03 -3.07 0.17 0.00 -1.51 0.00 0.00 72.50 68.06 1qcg s THR 159 CO 0.04 -0.59 1.93 -0.33 -2.21 0.00 0.00 174.62 173.46 1qcg h GLU 160 N -1.06 0.22 -0.40 7.08 5.08 -1.99 -2.13 114.58 121.38 1qcg h GLU 160 Ca -0.45 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 57.82 1qcg h GLU 160 Cb 1.24 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 1qcg h GLU 160 CO 0.55 0.35 0.07 -0.22 -1.00 0.00 0.00 179.01 178.76 1qcg h LYS 161 N 0.21 0.65 -0.55 2.33 3.64 -1.93 0.77 116.57 121.69 1qcg h LYS 161 Ca 0.04 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.22 1qcg h LYS 161 Cb 0.35 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1qcg h LYS 161 CO 0.02 0.70 0.22 1.15 -2.27 0.00 0.00 179.45 179.27 1qcg h THR 162 N 0.50 1.22 -0.41 1.00 2.02 -1.80 -1.24 112.91 114.19 1qcg h THR 162 Ca 0.12 -0.69 -0.14 0.00 0.77 0.00 0.00 66.41 66.47 1qcg h THR 162 Cb 0.36 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1qcg h THR 162 CO 0.01 0.26 -0.29 -0.08 0.37 0.00 0.00 175.52 175.79 1qcg h GLU 163 N 0.75 0.90 -0.69 6.66 4.81 -1.23 -2.63 114.58 123.15 1qcg h GLU 163 Ca 0.18 -0.42 -0.07 0.00 -0.13 0.00 0.00 59.36 58.92 1qcg h GLU 163 Cb 0.20 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 1qcg h GLU 163 CO -0.01 1.07 0.16 0.00 -0.73 0.00 0.00 179.01 179.50 1qcg h ALA 164 N 0.89 0.98 -0.46 2.92 0.00 -0.55 -0.45 119.26 122.59 1qcg h ALA 164 Ca 0.08 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1qcg h ALA 164 Cb 0.86 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1qcg h ALA 164 CO 0.08 0.66 -0.08 0.93 0.00 0.00 0.00 179.25 180.84 1qcg h GLU 165 N 1.05 0.81 -0.06 0.00 5.08 -1.16 0.23 114.58 120.53 1qcg h GLU 165 Ca 0.22 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1qcg h GLU 165 Cb 0.37 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1qcg h GLU 165 CO 0.00 0.86 0.01 0.35 -1.00 0.00 0.00 179.01 179.23 1qcg h PHE 166 N 0.74 0.11 -0.72 4.33 3.57 -1.09 -2.08 116.94 121.79 1qcg h PHE 166 Ca 0.13 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.64 1qcg h PHE 166 Cb 0.56 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.22 1qcg h PHE 166 CO 0.03 0.34 0.45 -0.07 -2.23 0.00 0.00 178.31 176.83 1qcg h LEU 167 N -0.15 0.74 0.01 0.59 4.07 -0.85 0.47 115.31 120.19 1qcg h LEU 167 Ca 0.02 -0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.98 1qcg h LEU 167 Cb 0.29 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.87 1qcg h LEU 167 CO 0.00 0.51 -0.01 -0.07 -1.08 0.00 0.00 178.44 177.80 1qcg h LEU 168 N 0.88 -0.02 -0.19 1.67 3.38 -0.47 -0.58 115.31 119.98 1qcg h LEU 168 Ca 0.29 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 1qcg h LEU 168 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1qcg h LEU 168 CO -0.11 0.04 0.01 0.58 0.09 0.00 0.00 178.44 179.06 1qcg h VAL 169 N -0.08 1.24 -0.55 1.22 2.07 -1.21 -2.87 116.25 116.07 1qcg h VAL 169 Ca -0.00 -0.81 -0.05 0.00 0.82 0.00 0.00 66.70 66.66 1qcg h VAL 169 Cb 0.07 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1qcg h VAL 169 CO 0.00 0.25 0.14 0.00 0.02 0.00 0.00 177.57 177.98 1qcg h ALA 170 N 0.80 0.73 -0.35 1.67 0.00 -0.88 -0.77 119.26 120.46 1qcg h ALA 170 Ca 0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1qcg h ALA 170 Cb 0.36 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1qcg h ALA 170 CO 0.01 0.43 0.15 0.82 0.00 0.00 0.00 179.25 180.65 1qcg h ILE 171 N 0.78 1.18 -0.37 0.00 2.04 -1.15 -1.21 117.51 118.78 1qcg h ILE 171 Ca 0.17 -0.54 -0.11 0.00 1.00 0.00 0.00 64.86 65.38 1qcg h ILE 171 Cb 0.34 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1qcg h ILE 171 CO 0.00 0.19 -0.19 1.56 0.00 0.00 0.00 178.15 179.72 1qcg h GLN 172 N 0.43 0.79 0.00 2.37 4.20 -1.43 0.14 115.11 121.61 1qcg h GLN 172 Ca 0.12 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.48 1qcg h GLN 172 Cb 0.16 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1qcg h GLN 172 CO -0.01 0.97 0.00 0.52 -0.67 0.00 0.00 178.83 179.64 1qcg h MET 173 N 0.58 0.00 0.00 1.46 2.86 -1.13 -2.31 114.93 116.39 1qcg h MET 173 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1qcg h MET 173 Cb 0.74 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.40 1qcg h MET 173 CO 0.06 0.00 0.00 0.28 1.06 0.00 0.00 176.91 178.31 1qcg n VAL 174 N -2.47 0.00 -0.05 -2.22 0.31 -0.46 -4.49 118.33 108.96 1qcg n VAL 174 Ca 0.05 0.26 -0.12 0.00 -0.01 0.00 0.00 64.34 64.51 1qcg n VAL 174 Cb 0.42 -1.24 -0.06 0.00 -0.91 0.00 0.00 33.84 32.05 1qcg n VAL 174 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1qcg h SER 175 N 0.00 0.25 -0.27 4.52 0.02 -0.92 -1.87 113.55 115.28 1qcg h SER 175 Ca 0.00 -0.29 -0.11 0.00 -0.84 0.00 0.00 61.79 60.55 1qcg h SER 175 Cb 0.00 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 1qcg h SER 175 CO 0.00 0.48 -0.20 -0.33 -1.14 0.00 0.00 176.83 175.64 1qcg h GLU 176 N 0.01 0.73 -0.17 3.45 4.39 -1.34 -2.28 114.58 119.38 1qcg h GLU 176 Ca 0.04 -0.28 -0.13 0.00 0.34 0.00 0.00 59.36 59.33 1qcg h GLU 176 Cb 0.34 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1qcg h GLU 176 CO 0.01 0.87 -0.47 0.00 -1.16 0.00 0.00 179.01 178.26 1qcg h ALA 177 N 1.13 0.89 -0.22 3.43 0.00 -1.40 -0.72 119.26 122.38 1qcg h ALA 177 Ca 0.10 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 54.43 1qcg h ALA 177 Cb 0.69 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1qcg h ALA 177 CO 0.05 0.65 -0.33 0.00 0.00 0.00 0.00 179.25 179.62 1qcg h ALA 178 N 1.16 1.03 -0.06 0.00 0.00 -1.14 -3.14 119.26 117.11 1qcg h ALA 178 Ca 0.02 -0.39 -0.22 0.00 0.00 0.00 0.00 54.91 54.33 1qcg h ALA 178 Cb 0.95 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.64 1qcg h ALA 178 CO 0.08 0.59 -0.81 0.00 0.00 0.00 0.00 179.25 179.12 1qcg h ARG 179 N 0.39 0.65 -5.17 0.00 3.08 -1.21 -3.36 114.38 108.75 1qcg h ARG 179 Ca 0.05 -0.62 -0.67 0.00 0.07 0.00 0.00 59.98 58.81 1qcg h ARG 179 Cb 0.77 0.16 -0.32 0.00 0.08 0.00 0.00 29.97 30.66 1qcg h ARG 179 CO 0.06 1.23 -0.83 -0.06 -1.07 0.00 0.00 179.97 179.30 1qcg s PHE 180 N -3.47 2.75 0.30 3.04 0.08 -0.30 -0.17 117.98 120.21 1qcg s PHE 180 Ca -0.11 -1.22 0.00 0.00 0.12 0.00 0.00 56.93 55.72 1qcg s PHE 180 Cb 0.06 -1.88 0.48 0.00 -0.57 0.00 0.00 43.02 41.12 1qcg s PHE 180 CO 0.88 -0.57 1.88 0.87 -0.10 0.00 0.00 175.22 178.18 1qcg h LYS 181 N 7.43 0.78 -0.45 0.44 1.79 -1.05 -2.45 116.57 123.06 1qcg h LYS 181 Ca -0.35 -0.13 0.04 0.00 -2.18 0.00 0.00 60.65 58.03 1qcg h LYS 181 Cb 1.18 -0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 31.66 1qcg h LYS 181 CO 0.57 0.67 0.22 -0.92 -1.08 0.00 0.00 179.45 178.92 1qcg h TYR 182 N 0.77 0.41 -0.36 -1.35 3.20 -1.79 -0.56 116.97 117.29 1qcg h TYR 182 Ca 0.18 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.95 1qcg h TYR 182 Cb 0.21 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 1qcg h TYR 182 CO 0.01 0.20 -0.26 0.82 -1.64 0.00 0.00 178.16 177.30 1qcg h ILE 183 N 0.44 1.27 -0.25 1.81 2.04 -1.78 -1.70 117.51 119.35 1qcg h ILE 183 Ca 0.20 -1.37 -0.00 0.00 1.00 0.00 0.00 64.86 64.68 1qcg h ILE 183 Cb 0.11 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 1qcg h ILE 183 CO -0.14 0.45 0.15 -0.08 0.00 0.00 0.00 178.15 178.53 1qcg h GLU 184 N 0.63 0.34 -0.12 2.37 4.81 -0.98 -2.30 114.58 119.33 1qcg h GLU 184 Ca 0.08 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1qcg h GLU 184 Cb 0.76 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 1qcg h GLU 184 CO 0.06 0.27 -0.05 -0.91 -0.73 0.00 0.00 179.01 177.65 1qcg h ASN 185 N 0.31 0.15 -0.39 1.04 2.35 -0.94 -0.52 115.58 117.58 1qcg h ASN 185 Ca 0.09 -0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.71 1qcg h ASN 185 Cb 0.02 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 1qcg h ASN 185 CO -0.02 0.24 -0.18 1.56 -1.65 0.00 0.00 177.43 177.39 1qcg h GLN 186 N 0.17 0.88 -0.27 0.81 1.08 -0.82 -0.87 115.11 116.07 1qcg h GLN 186 Ca 0.04 -0.34 -0.13 0.00 -1.45 0.00 0.00 58.65 56.77 1qcg h GLN 186 Cb 0.21 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.59 1qcg h GLN 186 CO 0.01 0.98 -0.32 0.28 -0.95 0.00 0.00 178.83 178.83 1qcg h VAL 187 N 0.77 1.30 -0.65 -0.54 2.07 -0.79 -2.77 116.25 115.64 1qcg h VAL 187 Ca 0.11 -1.50 -0.03 0.00 0.82 0.00 0.00 66.70 66.10 1qcg h VAL 187 Cb 0.71 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 32.08 1qcg h VAL 187 CO 0.05 0.48 0.28 0.11 0.02 0.00 0.00 177.57 178.51 1qcg h LYS 188 N 0.44 0.95 -0.57 1.57 1.57 -1.01 0.12 116.57 119.65 1qcg h LYS 188 Ca 0.04 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 1qcg h LYS 188 Cb 0.90 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 33.02 1qcg h LYS 188 CO 0.08 0.79 0.25 1.15 -0.57 0.00 0.00 179.45 181.15 1qcg h THR 189 N 0.90 1.20 -0.49 -0.16 2.02 -1.16 -2.53 112.91 112.70 1qcg h THR 189 Ca 0.22 -0.59 -0.25 0.00 0.77 0.00 0.00 66.41 66.56 1qcg h THR 189 Cb 0.18 0.49 -0.15 0.00 -1.74 0.00 0.00 68.15 66.93 1qcg h THR 189 CO -0.02 0.24 0.07 0.59 0.37 0.00 0.00 175.52 176.76 1qcg n ASN 190 N -4.35 2.73 -0.28 4.18 3.02 -1.05 -4.82 115.26 114.69 1qcg n ASN 190 Ca 0.05 -3.75 0.25 0.00 -0.03 0.00 0.00 54.58 51.09 1qcg n ASN 190 Cb 0.15 -0.68 0.58 0.00 -0.61 0.00 0.00 39.78 39.22 1qcg n ASN 190 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1qcg h PHE 191 N 1.01 0.43 -0.62 3.10 3.57 -0.30 -1.42 116.94 122.71 1qcg h PHE 191 Ca 0.31 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.82 1qcg h PHE 191 Cb 1.91 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 40.53 1qcg h PHE 191 CO 1.16 0.06 0.00 0.09 -2.23 0.00 0.00 178.31 177.39 1qcg n ASN 192 N -4.47 4.47 -3.61 0.41 4.13 -1.26 -4.46 115.26 110.46 1qcg n ASN 192 Ca 0.23 -2.37 -0.12 0.00 1.68 0.00 0.00 54.58 54.00 1qcg n ASN 192 Cb 0.91 -0.54 -0.05 0.00 -1.54 0.00 0.00 39.78 38.56 1qcg n ASN 192 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1qcg s ARG 193 N -1.69 1.70 0.20 3.52 1.70 -0.53 -5.04 118.95 118.81 1qcg s ARG 193 Ca 0.49 -1.57 -0.08 0.00 -0.47 0.00 0.00 55.73 54.10 1qcg s ARG 193 Cb 0.30 0.43 -0.07 0.00 -0.57 0.00 0.00 34.95 35.05 1qcg s ARG 193 CO 0.25 -0.69 0.48 0.00 -1.08 0.00 0.00 175.30 174.26 1qcg s ALA 194 N -3.50 3.65 -0.05 7.88 0.00 -1.26 -4.51 121.76 123.97 1qcg s ALA 194 Ca 0.29 -0.39 -0.16 0.00 0.00 0.00 0.00 51.96 51.69 1qcg s ALA 194 Cb 0.00 -2.31 0.03 0.00 0.00 0.00 0.00 23.12 20.84 1qcg s ALA 194 CO 0.15 0.56 0.37 -0.59 0.00 0.00 0.00 175.76 176.25 1qcg s PHE 195 N -1.77 -0.29 -0.05 0.00 -0.71 -0.49 -4.96 117.98 109.72 1qcg s PHE 195 Ca 0.45 0.53 -0.25 0.00 -1.04 0.00 0.00 56.93 56.62 1qcg s PHE 195 Cb -0.11 0.14 -0.03 0.00 -1.21 0.00 0.00 43.02 41.80 1qcg s PHE 195 CO 0.23 -0.38 0.77 -0.80 -1.34 0.00 0.00 175.22 173.70 1qcg s ASN 196 N -1.00 7.07 0.07 1.98 -0.87 -1.26 -0.82 114.94 120.11 1qcg s ASN 196 Ca -0.10 1.29 -0.31 0.00 -1.57 0.00 0.00 52.86 52.17 1qcg s ASN 196 Cb -0.04 -2.45 -0.09 0.00 -0.02 0.00 0.00 41.25 38.65 1qcg s ASN 196 CO 0.04 -0.16 1.77 -2.16 -2.57 0.00 0.00 177.10 174.02 1qcg s PRO 197 N 0.89 4.16 1.02 -0.60 0.04 -1.26 -4.98 135.00 134.28 1qcg s PRO 197 Ca 0.41 2.46 -0.14 0.00 0.04 0.00 0.00 61.00 63.77 1qcg s PRO 197 Cb -0.18 -3.72 0.20 0.00 0.04 0.00 0.00 34.50 30.83 1qcg s PRO 197 CO 0.20 -0.82 1.12 0.54 0.04 0.00 0.00 177.00 178.08 1qcg s ASN 198 N 2.93 2.45 0.58 6.66 2.20 -1.26 -4.72 114.94 123.78 1qcg s ASN 198 Ca 0.79 0.96 0.27 0.00 -0.94 0.00 0.00 52.86 53.94 1qcg s ASN 198 Cb -0.42 -1.49 1.70 0.00 -2.00 0.00 0.00 41.25 39.03 1qcg s ASN 198 CO 0.35 -3.21 2.20 -0.65 -2.94 0.00 0.00 177.10 172.85 1qcg h PRO 199 N -1.95 0.00 0.08 3.55 0.11 -1.80 -2.38 132.00 129.61 1qcg h PRO 199 Ca -0.51 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.33 1qcg h PRO 199 Cb 1.32 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.46 1qcg h PRO 199 CO 0.53 0.00 -1.09 -0.22 -0.21 0.00 0.00 178.00 177.01 1qcg h LYS 200 N 0.00 0.60 -0.44 1.05 3.64 -1.70 -2.23 116.57 117.48 1qcg h LYS 200 Ca 0.03 -0.75 -0.00 0.00 -1.27 0.00 0.00 60.65 58.65 1qcg h LYS 200 Cb 0.13 0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1qcg h LYS 200 CO -0.00 1.33 0.26 -0.39 -2.27 0.00 0.00 179.45 178.37 1qcg h VAL 201 N 0.21 1.15 -0.47 2.00 -1.51 -1.77 0.07 116.25 115.91 1qcg h VAL 201 Ca -0.16 -0.35 -0.09 0.00 -1.23 0.00 0.00 66.70 64.87 1qcg h VAL 201 Cb 1.78 0.58 -0.02 0.00 -2.13 0.00 0.00 31.29 31.50 1qcg h VAL 201 CO 0.21 0.15 -0.07 -0.07 -1.23 0.00 0.00 177.57 176.57 1qcg h LEU 202 N 0.58 0.81 -0.24 4.19 3.38 -1.55 -2.19 115.31 120.28 1qcg h LEU 202 Ca 0.16 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1qcg h LEU 202 Cb 0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1qcg h LEU 202 CO -0.03 0.91 -0.08 -1.13 0.09 0.00 0.00 178.44 178.20 1qcg h ASN 203 N 0.76 0.49 -0.79 -0.43 -1.24 -1.06 -2.02 115.58 111.27 1qcg h ASN 203 Ca 0.13 -0.38 0.11 0.00 0.71 0.00 0.00 56.30 56.87 1qcg h ASN 203 Cb 0.55 -0.13 -0.08 0.00 0.73 0.00 0.00 38.32 39.39 1qcg h ASN 203 CO 0.03 0.76 0.42 -0.07 -1.29 0.00 0.00 177.43 177.28 1qcg h LEU 204 N 0.21 0.55 -0.28 0.34 4.07 -0.82 0.73 115.31 120.11 1qcg h LEU 204 Ca 0.06 0.07 -0.02 0.00 0.08 0.00 0.00 57.88 58.07 1qcg h LEU 204 Cb 0.56 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.26 1qcg h LEU 204 CO 0.03 0.29 0.11 1.56 -1.08 0.00 0.00 178.44 179.35 1qcg h GLN 205 N 0.67 0.42 0.00 1.13 4.20 -1.23 -2.24 115.11 118.06 1qcg h GLN 205 Ca 0.40 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 59.03 1qcg h GLN 205 Cb 0.46 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1qcg h GLN 205 CO -0.29 0.45 0.00 0.39 -0.67 0.00 0.00 178.83 178.71 1qcg n GLU 206 N -4.75 0.22 -0.06 1.46 1.02 -0.72 -3.53 120.64 114.27 1qcg n GLU 206 Ca -0.02 0.34 0.03 0.00 -0.02 0.00 0.00 57.16 57.49 1qcg n GLU 206 Cb 0.13 -1.85 0.06 0.00 -0.02 0.00 0.00 31.44 29.77 1qcg n GLU 206 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1qcg n THR 207 N -2.24 1.24 -0.06 2.62 -2.24 0.17 -4.79 114.28 108.97 1qcg n THR 207 Ca 0.03 -1.29 -0.07 0.00 -2.27 0.00 0.00 64.05 60.45 1qcg n THR 207 Cb 0.31 0.32 -0.01 0.00 -2.10 0.00 0.00 70.33 68.84 1qcg n THR 207 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 1qcg h TRP 208 N 0.39 -0.23 -0.87 4.78 7.01 -1.45 0.78 115.95 126.35 1qcg h TRP 208 Ca 0.00 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.00 1qcg h TRP 208 Cb 0.68 0.14 -0.04 0.00 -2.10 0.00 0.00 29.16 27.84 1qcg h TRP 208 CO 0.06 -0.16 0.44 0.78 -2.79 0.00 0.00 178.44 176.77 1qcg h GLY 209 N -0.06 1.32 0.85 2.65 0.00 -1.87 0.71 103.07 106.69 1qcg h GLY 209 Ca 0.13 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 1qcg h GLY 209 CO -0.29 0.60 0.03 1.70 0.00 0.00 0.00 176.54 178.58 1qcg h LYS 210 N 1.23 0.14 -0.40 4.80 3.64 -1.78 -1.37 116.57 122.83 1qcg h LYS 210 Ca 0.30 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.67 1qcg h LYS 210 Cb 0.08 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1qcg h LYS 210 CO -0.04 0.26 0.24 0.82 -2.27 0.00 0.00 179.45 178.46 1qcg h ILE 211 N -0.02 1.05 -0.57 2.00 2.04 -0.68 -0.40 117.51 120.94 1qcg h ILE 211 Ca 0.03 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1qcg h ILE 211 Cb 0.18 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1qcg h ILE 211 CO -0.00 0.09 0.36 0.28 0.00 0.00 0.00 178.15 178.87 1qcg h SER 212 N 0.48 0.67 -0.18 1.72 0.02 -0.66 -0.60 113.55 115.00 1qcg h SER 212 Ca 0.16 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 1qcg h SER 212 Cb -0.00 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 1qcg h SER 212 CO -0.07 0.51 -0.01 0.74 -1.14 0.00 0.00 176.83 176.86 1qcg h THR 213 N 0.76 1.26 -0.62 -2.27 2.02 -1.05 -1.52 112.91 111.50 1qcg h THR 213 Ca 0.20 -0.90 0.05 0.00 0.77 0.00 0.00 66.41 66.54 1qcg h THR 213 Cb -0.05 1.49 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 1qcg h THR 213 CO -0.04 0.27 0.41 0.00 0.37 0.00 0.00 175.52 176.53 1qcg h ALA 214 N 0.77 1.76 0.04 6.16 0.00 -0.84 0.25 119.26 127.39 1qcg h ALA 214 Ca 0.05 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.66 1qcg h ALA 214 Cb 0.41 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 18.06 1qcg h ALA 214 CO 0.01 0.15 -1.10 0.82 0.00 0.00 0.00 179.25 179.13 1qcg h ILE 215 N 0.64 1.28 -0.67 0.00 2.04 -1.00 -1.04 117.51 118.77 1qcg h ILE 215 Ca 0.26 -2.31 -0.07 0.00 1.00 0.00 0.00 64.86 63.75 1qcg h ILE 215 Cb 0.22 2.49 -0.03 0.00 -0.74 0.00 0.00 36.82 38.77 1qcg h ILE 215 CO -0.08 0.71 0.16 -0.74 0.00 0.00 0.00 178.15 178.20 1qcg h HIS 216 N 0.34 1.11 -0.00 1.37 2.76 -0.50 -2.82 115.15 117.40 1qcg h HIS 216 Ca -0.15 -0.13 0.00 0.00 -2.20 0.00 0.00 60.37 57.90 1qcg h HIS 216 Cb 1.76 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 30.40 1qcg h HIS 216 CO 0.11 0.90 -0.28 -0.25 -1.30 0.00 0.00 177.93 177.12 1qcg n ASP 217 N -4.24 0.59 -4.73 3.26 8.00 0.80 -4.51 116.55 115.71 1qcg n ASP 217 Ca 0.05 -0.42 -0.42 0.00 0.71 0.00 0.00 54.79 54.70 1qcg n ASP 217 Cb 0.25 0.05 -0.01 0.00 -0.02 0.00 0.00 41.12 41.39 1qcg n ASP 217 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qcg n ALA 218 N -1.12 2.11 -3.23 2.24 0.00 -0.39 -4.60 120.51 115.51 1qcg n ALA 218 Ca 0.10 0.38 -0.36 0.00 0.00 0.00 0.00 53.44 53.56 1qcg n ALA 218 Cb 0.33 -2.40 -0.13 0.00 0.00 0.00 0.00 19.45 17.25 1qcg n ALA 218 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1qcg s LYS 219 N -0.82 3.55 -1.49 0.00 3.01 -0.23 -4.56 119.74 119.20 1qcg s LYS 219 Ca 0.63 -0.54 -0.13 0.00 -1.01 0.00 0.00 55.97 54.92 1qcg s LYS 219 Cb -0.53 -3.15 0.09 0.00 -1.01 0.00 0.00 37.83 33.22 1qcg s LYS 219 CO 0.52 -0.14 0.76 0.09 0.51 0.00 0.00 175.35 177.09 1qcg n ASN 220 N 4.72 -4.30 0.00 2.83 4.13 -1.26 -1.21 115.26 120.17 1qcg n ASN 220 Ca -0.17 -0.66 0.00 0.00 1.68 0.00 0.00 54.58 55.43 1qcg n ASN 220 Cb 0.51 -3.48 0.00 0.00 -1.54 0.00 0.00 39.78 35.27 1qcg n ASN 220 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1qcg n GLY 221 N -1.46 1.82 3.69 7.41 0.00 -1.26 -5.02 105.19 110.38 1qcg n GLY 221 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 1qcg n GLY 221 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qcg s VAL 222 N -2.90 5.29 0.31 1.61 1.01 -0.35 -0.94 120.40 124.44 1qcg s VAL 222 Ca 0.00 0.47 -0.29 0.00 0.00 0.00 0.00 61.98 62.16 1qcg s VAL 222 Cb 0.00 -3.61 -0.10 0.00 0.00 0.00 0.00 36.38 32.66 1qcg s VAL 222 CO 0.00 0.34 1.30 -0.76 0.00 0.00 0.00 175.10 175.97 1qcg s LEU 223 N 0.90 4.43 0.31 3.92 1.02 -0.55 -1.06 118.68 127.65 1qcg s LEU 223 Ca 0.14 2.64 0.07 0.00 0.02 0.00 0.00 54.13 56.99 1qcg s LEU 223 Cb -0.13 -3.64 0.87 0.00 0.02 0.00 0.00 46.19 43.30 1qcg s LEU 223 CO 0.05 -0.51 1.63 -0.65 0.02 0.00 0.00 176.35 176.89 1qcg h PRO 224 N 3.65 0.18 -4.03 1.29 0.11 -1.81 -3.42 132.00 127.97 1qcg h PRO 224 Ca -0.48 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.49 1qcg h PRO 224 Cb 1.22 -0.04 -0.17 0.00 0.11 0.00 0.00 31.00 32.12 1qcg h PRO 224 CO 0.67 0.12 -0.62 0.15 -0.21 0.00 0.00 178.00 178.11 1qcg s LYS 225 N -5.84 0.55 0.16 1.05 1.02 -1.26 -5.12 119.74 110.30 1qcg s LYS 225 Ca -0.11 -0.93 -0.31 0.00 0.02 0.00 0.00 55.97 54.63 1qcg s LYS 225 Cb 0.28 0.20 -0.11 0.00 -0.52 0.00 0.00 37.83 37.69 1qcg s LYS 225 CO 0.78 -0.12 1.71 -2.14 -0.92 0.00 0.00 175.35 174.66 1qcg s PRO 226 N -3.00 4.16 -0.29 -1.68 0.02 -1.26 -4.93 135.00 128.02 1qcg s PRO 226 Ca -0.02 2.52 -0.12 0.00 0.02 0.00 0.00 61.00 63.40 1qcg s PRO 226 Cb 0.01 -3.28 -0.04 0.00 0.02 0.00 0.00 34.50 31.21 1qcg s PRO 226 CO -0.07 -0.74 0.25 -1.17 -0.33 0.00 0.00 177.00 174.94 1qcg s LEU 227 N 1.74 4.13 -0.28 -5.54 2.96 -0.34 -4.94 118.68 116.41 1qcg s LEU 227 Ca 0.75 -0.02 -0.21 0.00 -0.22 0.00 0.00 54.13 54.43 1qcg s LEU 227 Cb -0.46 -2.21 -0.01 0.00 0.50 0.00 0.00 46.19 44.01 1qcg s LEU 227 CO 0.33 -0.13 0.68 -1.61 -1.32 0.00 0.00 176.35 174.30 1qcg s GLU 228 N 1.85 4.03 0.00 1.98 2.02 -1.26 -0.72 118.70 126.59 1qcg s GLU 228 Ca 0.09 0.51 0.00 0.00 0.02 0.00 0.00 54.97 55.59 1qcg s GLU 228 Cb -0.16 -3.69 0.00 0.00 0.10 0.00 0.00 34.13 30.38 1qcg s GLU 228 CO 0.11 -0.52 0.00 1.28 0.02 0.00 0.00 175.26 176.15 1qcg n LEU 229 N 5.88 0.00 -3.78 1.80 4.77 0.88 -4.95 117.00 121.60 1qcg n LEU 229 Ca 0.01 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.86 1qcg n LEU 229 Cb 0.49 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.44 1qcg n LEU 229 CO 0.45 0.00 -0.22 0.54 -1.33 0.00 0.00 177.39 176.83 1qcg s VAL 230 N -0.74 -0.03 0.67 4.08 0.11 -1.26 -0.36 120.40 122.87 1qcg s VAL 230 Ca 0.00 0.11 -0.11 0.00 -2.93 0.00 0.00 61.98 59.04 1qcg s VAL 230 Cb 0.00 -0.23 0.15 0.00 -1.53 0.00 0.00 36.38 34.78 1qcg s VAL 230 CO 0.00 0.04 0.91 -0.90 -3.33 0.00 0.00 175.10 171.82 1qcg n ASP 231 N 3.73 0.08 0.28 3.54 5.68 -0.25 -4.16 116.55 125.45 1qcg n ASP 231 Ca -0.21 -1.33 0.13 0.00 -0.50 0.00 0.00 54.79 52.88 1qcg n ASP 231 Cb 0.55 -0.69 0.82 0.00 -1.14 0.00 0.00 41.12 40.66 1qcg n ASP 231 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1qcg h ALA 232 N -1.84 1.70 0.00 2.12 0.00 -1.90 -0.79 119.26 118.54 1qcg h ALA 232 Ca -0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1qcg h ALA 232 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1qcg h ALA 232 CO 0.21 -0.01 -0.37 -1.13 0.00 0.00 0.00 179.25 177.94 1qcg n SER 233 N -4.08 0.71 0.00 0.00 3.41 -1.26 -4.11 113.62 108.29 1qcg n SER 233 Ca -0.03 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 1qcg n SER 233 Cb 0.10 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 1qcg n SER 233 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qcg n GLY 234 N 1.34 0.99 3.85 5.00 0.00 -0.31 -4.97 105.19 111.09 1qcg n GLY 234 Ca 0.04 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1qcg n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qcg s ALA 235 N -2.00 3.40 0.14 4.61 0.00 -1.26 -4.81 121.76 121.85 1qcg s ALA 235 Ca 0.00 -0.02 -0.31 0.00 0.00 0.00 0.00 51.96 51.63 1qcg s ALA 235 Cb 0.00 -2.69 -0.10 0.00 0.00 0.00 0.00 23.12 20.33 1qcg s ALA 235 CO 0.00 0.38 1.65 0.21 0.00 0.00 0.00 175.76 178.00 1qcg s LYS 236 N -2.77 4.18 -0.32 0.00 2.20 -1.26 -1.09 119.74 120.68 1qcg s LYS 236 Ca 0.50 2.43 0.03 0.00 -0.36 0.00 0.00 55.97 58.57 1qcg s LYS 236 Cb -0.11 -3.30 0.09 0.00 -1.51 0.00 0.00 37.83 32.99 1qcg s LYS 236 CO 0.19 -0.69 0.03 -0.46 -0.36 0.00 0.00 175.35 174.06 1qcg s TRP 237 N 1.72 3.19 -0.33 4.03 -0.00 0.52 -4.84 118.94 123.22 1qcg s TRP 237 Ca 0.73 -2.57 -0.23 0.00 -0.00 0.00 0.00 56.10 54.03 1qcg s TRP 237 Cb -0.44 -2.46 0.00 0.00 -0.00 0.00 0.00 33.47 30.57 1qcg s TRP 237 CO 0.32 -0.91 0.76 0.42 -0.00 0.00 0.00 176.95 177.54 1qcg s ILE 238 N 1.11 4.79 -0.14 5.86 -1.09 -1.26 -0.08 121.20 130.39 1qcg s ILE 238 Ca 0.07 1.00 -0.07 0.00 -2.23 0.00 0.00 60.65 59.42 1qcg s ILE 238 Cb -0.19 -4.15 -0.04 0.00 -1.58 0.00 0.00 42.46 36.50 1qcg s ILE 238 CO -0.11 -0.31 0.11 -0.69 -1.23 0.00 0.00 174.94 172.72 1qcg s VAL 239 N 2.95 5.28 -0.04 2.92 1.01 0.11 -4.94 120.40 127.68 1qcg s VAL 239 Ca 0.31 0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.44 1qcg s VAL 239 Cb -0.14 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 1qcg s VAL 239 CO 0.14 0.57 0.00 0.18 0.00 0.00 0.00 175.10 175.99 1qcg n LEU 240 N 2.43 0.63 -4.52 3.92 4.77 -1.26 -1.20 117.00 121.77 1qcg n LEU 240 Ca -0.19 -0.01 -0.25 0.00 -0.03 0.00 0.00 56.01 55.54 1qcg n LEU 240 Cb 0.54 0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.57 1qcg n LEU 240 CO 0.32 0.20 -0.44 -0.13 -1.33 0.00 0.00 177.39 176.01 1qcg s ARG 241 N -2.09 1.87 0.30 3.23 0.52 -1.26 -1.49 118.95 120.02 1qcg s ARG 241 Ca -0.03 -1.57 0.01 0.00 -0.52 0.00 0.00 55.73 53.62 1qcg s ARG 241 Cb 0.01 -1.94 0.46 0.00 0.52 0.00 0.00 34.95 34.00 1qcg s ARG 241 CO 0.15 0.36 1.81 -0.39 0.02 0.00 0.00 175.30 177.25 1qcg h VAL 242 N 2.37 1.23 -0.00 3.52 -1.51 -1.41 -2.49 116.25 117.96 1qcg h VAL 242 Ca -0.43 -0.93 0.00 0.00 -1.23 0.00 0.00 66.70 64.11 1qcg h VAL 242 Cb 1.24 0.95 -0.00 0.00 -2.13 0.00 0.00 31.29 31.35 1qcg h VAL 242 CO 0.58 0.32 0.00 0.44 -1.23 0.00 0.00 177.57 177.68 1qcg h ASP 243 N 0.61 0.00 1.51 4.19 3.32 -1.96 -0.11 116.42 123.98 1qcg h ASP 243 Ca 0.12 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.09 1qcg h ASP 243 Cb 0.42 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1qcg h ASP 243 CO 0.02 0.00 -0.38 -0.33 -1.72 0.00 0.00 179.24 176.82 1qcg h GLU 244 N 0.00 0.00 0.00 3.56 5.08 -1.84 -3.38 114.58 118.00 1qcg h GLU 244 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1qcg h GLU 244 Cb 0.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1qcg h GLU 244 CO -0.00 0.38 -1.15 1.51 -1.00 0.00 0.00 179.01 178.76 1qcg n ILE 245 N -3.23 0.01 -0.13 3.13 0.13 -0.93 -4.72 119.36 113.63 1qcg n ILE 245 Ca 0.02 -0.07 0.11 0.00 -1.10 0.00 0.00 62.75 61.71 1qcg n ILE 245 Cb 0.66 0.36 0.46 0.00 -0.84 0.00 0.00 39.64 40.29 1qcg n ILE 245 CO 0.00 0.00 0.00 0.50 2.80 0.00 0.00 176.55 179.85 1qcg h LYS 246 N 0.00 0.48 0.00 9.51 3.64 -1.21 -1.79 116.57 127.21 1qcg h LYS 246 Ca -0.00 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1qcg h LYS 246 Cb 0.19 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1qcg h LYS 246 CO 0.00 0.32 -0.04 -1.35 -2.27 0.00 0.00 179.45 176.11 1qcg h PRO 247 N 0.50 0.00 0.00 1.90 0.11 -1.83 -2.39 132.00 130.28 1qcg h PRO 247 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 1qcg h PRO 247 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 1qcg h PRO 247 CO -0.10 0.04 -0.15 -0.44 -0.21 0.00 0.00 178.00 177.15 1qcg h ASP 248 N 0.00 0.00 -3.38 -2.05 3.32 -1.66 -3.43 116.42 109.22 1qcg h ASP 248 Ca -0.00 -0.04 -0.63 0.00 0.02 0.00 0.00 57.03 56.38 1qcg h ASP 248 Cb 0.08 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 39.45 1qcg h ASP 248 CO 0.01 0.02 -0.60 -0.69 -1.72 0.00 0.00 179.24 176.26 1qcg s VAL 249 N -3.13 4.49 -0.22 -1.35 1.01 -0.90 -0.61 120.40 119.68 1qcg s VAL 249 Ca 0.09 -0.14 -0.05 0.00 0.00 0.00 0.00 61.98 61.89 1qcg s VAL 249 Cb 0.12 -3.03 -0.19 0.00 0.00 0.00 0.00 36.38 33.28 1qcg s VAL 249 CO 0.63 0.44 -0.06 0.00 0.00 0.00 0.00 175.10 176.11 1qcg n ALA 250 N 3.85 1.20 -2.74 5.51 0.00 0.76 -4.73 120.51 124.36 1qcg n ALA 250 Ca -0.17 -0.92 -0.17 0.00 0.00 0.00 0.00 53.44 52.19 1qcg n ALA 250 Cb 0.52 -0.25 -0.13 0.00 0.00 0.00 0.00 19.45 19.59 1qcg n ALA 250 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1qcg s LEU 251 N -6.94 2.16 -0.10 0.00 1.43 -0.65 -4.24 118.68 110.33 1qcg s LEU 251 Ca -0.32 -0.40 -0.03 0.00 -1.03 0.00 0.00 54.13 52.35 1qcg s LEU 251 Cb 0.09 -0.39 -0.03 0.00 0.03 0.00 0.00 46.19 45.89 1qcg s LEU 251 CO 0.62 -0.03 0.02 -0.76 0.23 0.00 0.00 176.35 176.43 1qcg s LEU 252 N -1.04 3.66 0.75 1.79 1.43 0.02 -4.84 118.68 120.45 1qcg s LEU 252 Ca -0.02 0.16 -0.15 0.00 -1.03 0.00 0.00 54.13 53.09 1qcg s LEU 252 Cb -0.07 -1.85 0.05 0.00 0.03 0.00 0.00 46.19 44.34 1qcg s LEU 252 CO 0.01 0.36 1.22 0.21 0.23 0.00 0.00 176.35 178.37 1qcg s ASN 253 N -0.74 4.04 0.14 2.29 2.47 -1.26 -0.91 114.94 120.96 1qcg s ASN 253 Ca 0.12 2.39 -0.31 0.00 0.42 0.00 0.00 52.86 55.48 1qcg s ASN 253 Cb -0.12 -2.59 -0.09 0.00 -1.45 0.00 0.00 41.25 37.00 1qcg s ASN 253 CO 0.02 -2.37 1.56 -0.47 -3.72 0.00 0.00 177.10 172.12 1qcg s TYR 254 N -1.96 2.98 -0.07 0.43 5.04 -1.23 -4.51 117.35 118.02 1qcg s TYR 254 Ca 0.75 0.62 0.00 0.00 -2.44 0.00 0.00 57.07 56.00 1qcg s TYR 254 Cb -0.30 -3.90 0.02 0.00 0.35 0.00 0.00 41.96 38.13 1qcg s TYR 254 CO 0.46 -3.35 -0.05 0.08 -1.34 0.00 0.00 175.55 171.36 1qcg s VAL 255 N 1.40 0.66 0.52 3.14 1.01 -1.26 -5.02 120.40 120.84 1qcg s VAL 255 Ca 0.70 -0.12 -0.21 0.00 0.00 0.00 0.00 61.98 62.35 1qcg s VAL 255 Cb -0.42 -0.71 -0.06 0.00 0.00 0.00 0.00 36.38 35.18 1qcg s VAL 255 CO 0.31 0.28 1.14 -0.83 0.00 0.00 0.00 175.10 176.01 1qcg s GLY 256 N 1.40 2.69 0.00 4.51 0.00 -1.26 -4.92 107.32 109.74 1qcg s GLY 256 Ca -0.03 0.87 0.00 0.00 0.00 0.00 0.00 44.72 45.56 1qcg s GLY 256 CO -0.03 1.26 0.00 0.61 0.00 0.00 0.00 173.10 174.94 1qcg n GLY 257 N 0.26 1.54 3.88 0.20 0.00 -1.26 -5.03 105.19 104.79 1qcg n GLY 257 Ca 0.10 -2.03 -0.30 0.00 0.00 0.00 0.00 46.02 43.80 1qcg n GLY 257 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qcg s SER 258 N 0.00 6.19 0.29 1.61 1.04 -1.26 -5.09 113.70 116.48 1qcg s SER 258 Ca 0.00 1.29 -0.14 0.00 0.48 0.00 0.00 55.95 57.58 1qcg s SER 258 Cb 0.00 -2.38 0.01 0.00 0.10 0.00 0.00 66.02 63.75 1qcg s SER 258 CO 0.00 -0.83 0.59 0.00 0.98 0.00 0.00 173.24 173.98 1qcg s GLN 260 N -3.61 3.44 0.39 0.00 -0.44 -1.26 -4.87 119.66 113.31 1qcg s GLN 260 Ca 0.19 0.72 0.21 0.00 -2.50 0.00 0.00 55.36 53.99 1qcg s GLN 260 Cb -0.03 -4.07 0.62 0.00 -1.64 0.00 0.00 33.01 27.89 1qcg s GLN 260 CO 0.10 -1.75 1.70 1.79 0.50 0.00 0.00 175.29 177.63 1qcg h THR 261 N 6.44 0.64 -0.00 -0.34 1.35 -1.92 0.45 112.91 119.52 1qcg h THR 261 Ca -0.27 -1.46 0.00 0.00 -0.55 0.00 0.00 66.41 64.13 1qcg h THR 261 Cb 1.10 1.98 0.00 0.00 -1.73 0.00 0.00 68.15 69.50 1qcg h THR 261 CO 1.13 0.30 0.00 0.35 -0.25 0.00 0.00 175.52 177.04