#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qpq n ASN 7 N 0.00 0.83 -3.79 2.55 0.23 -1.26 -4.90 115.26 108.92 2qpq n ASN 7 Ca 0.00 -1.02 -0.14 0.00 -0.53 0.00 0.00 54.58 52.88 2qpq n ASN 7 Cb 0.00 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.62 2qpq n ASN 7 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 2qpq s LYS 8 N -0.02 1.51 0.59 -3.83 -2.85 -1.26 -5.12 119.74 108.76 2qpq s LYS 8 Ca 0.00 -1.71 -0.19 0.00 -1.00 0.00 0.00 55.97 53.07 2qpq s LYS 8 Cb 0.00 0.34 -0.05 0.00 -2.06 0.00 0.00 37.83 36.06 2qpq s LYS 8 CO 0.00 -0.56 1.01 -2.30 0.10 0.00 0.00 175.35 173.61 2qpq n PRO 9 N -0.43 0.99 -2.39 1.78 -0.02 -1.26 -4.83 135.00 128.85 2qpq n PRO 9 Ca 0.03 0.38 -0.32 0.00 -2.02 0.00 0.00 63.50 61.57 2qpq n PRO 9 Cb 0.64 -2.21 -0.03 0.00 -0.02 0.00 0.00 33.50 31.88 2qpq n PRO 9 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2qpq s LEU 10 N -2.18 3.61 -0.24 2.45 1.02 -0.62 -4.94 118.68 117.77 2qpq s LEU 10 Ca 0.75 1.53 0.01 0.00 0.02 0.00 0.00 54.13 56.44 2qpq s LEU 10 Cb -0.42 -4.47 0.06 0.00 0.02 0.00 0.00 46.19 41.38 2qpq s LEU 10 CO 0.47 -0.60 -0.06 -0.62 0.02 0.00 0.00 176.35 175.56 2qpq s ASP 11 N -3.17 3.99 -0.28 2.29 2.15 0.27 -0.85 116.67 121.08 2qpq s ASP 11 Ca 0.58 -1.24 -0.08 0.00 0.43 0.00 0.00 52.55 52.24 2qpq s ASP 11 Cb -0.10 -1.26 -0.02 0.00 -0.30 0.00 0.00 42.92 41.24 2qpq s ASP 11 CO 0.33 -0.23 0.11 -0.63 -0.17 0.00 0.00 175.17 174.58 2qpq s ILE 12 N 1.33 4.39 -0.30 4.11 1.01 0.75 -1.22 121.20 131.27 2qpq s ILE 12 Ca -0.06 -0.33 -0.11 0.00 0.00 0.00 0.00 60.65 60.15 2qpq s ILE 12 Cb -0.19 -3.16 -0.03 0.00 0.01 0.00 0.00 42.46 39.10 2qpq s ILE 12 CO -0.06 0.20 0.18 -0.63 0.00 0.00 0.00 174.94 174.63 2qpq s ILE 13 N 1.60 4.99 -0.10 2.92 -1.09 0.47 -1.14 121.20 128.85 2qpq s ILE 13 Ca 0.05 -0.15 -0.16 0.00 -2.23 0.00 0.00 60.65 58.16 2qpq s ILE 13 Cb -0.16 -3.48 -0.05 0.00 -1.58 0.00 0.00 42.46 37.19 2qpq s ILE 13 CO 0.05 0.13 0.41 -0.69 -1.23 0.00 0.00 174.94 173.60 2qpq s VAL 14 N 1.69 5.19 -1.46 2.92 1.01 0.14 0.09 120.40 129.97 2qpq s VAL 14 Ca 0.06 0.81 0.28 0.00 0.00 0.00 0.00 61.98 63.14 2qpq s VAL 14 Cb -0.17 -3.74 0.35 0.00 0.00 0.00 0.00 36.38 32.82 2qpq s VAL 14 CO 0.09 0.40 1.79 0.35 0.00 0.00 0.00 175.10 177.72 2qpq n THR 15 N 3.25 0.00 -4.26 3.92 -2.24 -1.02 -0.55 114.28 113.38 2qpq n THR 15 Ca -0.10 -0.05 -0.15 0.00 -2.27 0.00 0.00 64.05 61.48 2qpq n THR 15 Cb 0.52 -0.08 -0.10 0.00 -2.10 0.00 0.00 70.33 68.57 2qpq n THR 15 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2qpq s PHE 16 N -2.63 1.34 0.75 4.78 0.40 -1.26 -3.48 117.98 117.89 2qpq s PHE 16 Ca 0.24 -0.70 -0.11 0.00 -0.60 0.00 0.00 56.93 55.76 2qpq s PHE 16 Cb 0.19 -0.68 0.05 0.00 0.51 0.00 0.00 43.02 43.10 2qpq s PHE 16 CO 0.52 0.13 1.13 -1.25 0.70 0.00 0.00 175.22 176.45 2qpq s PRO 17 N -3.54 2.39 0.49 0.24 0.04 -1.26 -4.65 135.00 128.71 2qpq s PRO 17 Ca 0.16 0.25 -0.22 0.00 0.04 0.00 0.00 61.00 61.23 2qpq s PRO 17 Cb 0.01 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.46 2qpq s PRO 17 CO 0.02 -1.32 0.96 -2.30 0.04 0.00 0.00 177.00 174.40 2qpq n PRO 18 N -3.15 1.16 0.00 0.56 -0.02 -1.26 -3.45 135.00 128.85 2qpq n PRO 18 Ca 0.07 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 2qpq n PRO 18 Cb 0.59 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 2qpq n PRO 18 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qpq n GLY 19 N 1.26 1.70 3.88 -1.23 0.00 -1.26 -5.07 105.19 104.46 2qpq n GLY 19 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 2qpq n GLY 19 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qpq s GLY 20 N -2.19 2.23 0.28 -0.02 0.00 -1.22 -5.02 107.32 101.38 2qpq s GLY 20 Ca 0.00 -1.70 0.01 0.00 0.00 0.00 0.00 44.72 43.03 2qpq s GLY 20 CO 0.00 -1.82 1.77 -1.33 0.00 0.00 0.00 173.10 171.72 2qpq h GLY 21 N 0.92 0.66 0.95 0.20 0.00 -1.98 -2.06 103.07 101.76 2qpq h GLY 21 Ca -0.39 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.47 2qpq h GLY 21 CO 0.58 0.43 0.15 -0.84 0.00 0.00 0.00 176.54 176.85 2qpq h THR 22 N 0.57 1.13 -0.61 4.70 2.02 -1.95 -0.66 112.91 118.11 2qpq h THR 22 Ca 0.10 -0.35 -0.09 0.00 0.77 0.00 0.00 66.41 66.84 2qpq h THR 22 Cb 0.51 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 2qpq h THR 22 CO 0.03 0.13 0.02 -0.78 0.37 0.00 0.00 175.52 175.28 2qpq h ASP 23 N 0.32 1.04 -0.06 4.18 3.58 -1.78 -1.64 116.42 122.06 2qpq h ASP 23 Ca 0.10 -0.29 -0.00 0.00 0.42 0.00 0.00 57.03 57.26 2qpq h ASP 23 Cb 0.08 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 40.84 2qpq h ASP 23 CO -0.01 1.08 0.03 -0.03 -2.88 0.00 0.00 179.24 177.43 2qpq h MET 24 N 0.98 0.09 -0.40 0.28 4.05 -1.02 -0.65 114.93 118.26 2qpq h MET 24 Ca 0.18 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.56 2qpq h MET 24 Cb 0.54 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.31 2qpq h MET 24 CO 0.03 0.16 0.14 -0.07 0.23 0.00 0.00 176.91 177.39 2qpq h LEU 25 N 0.00 0.57 -0.54 3.39 3.38 -1.08 0.43 115.31 121.47 2qpq h LEU 25 Ca 0.02 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 57.86 2qpq h LEU 25 Cb 0.10 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 2qpq h LEU 25 CO -0.00 0.61 0.24 0.00 0.09 0.00 0.00 178.44 179.37 2qpq h ALA 26 N 0.98 0.69 -0.15 1.53 0.00 -1.15 0.43 119.26 121.59 2qpq h ALA 26 Ca 0.13 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 2qpq h ALA 26 Cb 0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2qpq h ALA 26 CO -0.01 -0.14 -0.45 0.00 0.00 0.00 0.00 179.25 178.66 2qpq h ARG 27 N 0.45 0.35 0.09 0.00 3.08 -0.93 0.12 114.38 117.54 2qpq h ARG 27 Ca 0.25 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 2qpq h ARG 27 Cb 0.23 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.29 2qpq h ARG 27 CO -0.22 0.74 -0.04 1.25 -1.07 0.00 0.00 179.97 180.63 2qpq h LEU 28 N 0.29 -0.10 -0.29 3.04 5.85 -0.57 -1.74 115.31 121.80 2qpq h LEU 28 Ca 0.02 -0.23 0.05 0.00 0.84 0.00 0.00 57.88 58.56 2qpq h LEU 28 Cb 0.90 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.91 2qpq h LEU 28 CO 0.08 0.18 -0.01 0.40 -0.34 0.00 0.00 178.44 178.75 2qpq h ILE 29 N -0.38 0.78 -0.85 4.05 2.04 -0.80 -2.94 117.51 119.41 2qpq h ILE 29 Ca -0.01 -0.03 0.02 0.00 1.00 0.00 0.00 64.86 65.84 2qpq h ILE 29 Cb 0.32 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 37.05 2qpq h ILE 29 CO 0.02 0.01 0.55 1.23 0.00 0.00 0.00 178.15 179.97 2qpq h GLY 30 N 0.08 1.22 0.33 5.37 0.00 -0.65 0.10 103.07 109.52 2qpq h GLY 30 Ca 0.14 -0.43 0.04 0.00 0.00 0.00 0.00 47.33 47.08 2qpq h GLY 30 CO -0.24 0.39 -0.24 -0.57 0.00 0.00 0.00 176.54 175.88 2qpq h ASN 31 N 1.10 -0.74 1.36 0.19 -0.73 -1.24 -0.86 115.58 114.66 2qpq h ASN 31 Ca 0.33 0.11 -0.13 0.00 1.87 0.00 0.00 56.30 58.48 2qpq h ASN 31 Cb -0.05 0.32 -0.02 0.00 0.27 0.00 0.00 38.32 38.84 2qpq h ASN 31 CO -0.10 -0.30 -0.64 1.88 -0.37 0.00 0.00 177.43 177.90 2qpq h TYR 32 N -0.33 0.00 -0.34 0.67 0.05 -1.28 -3.13 116.97 112.61 2qpq h TYR 32 Ca 0.09 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.70 2qpq h TYR 32 Cb 0.46 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.19 2qpq h TYR 32 CO -0.32 0.63 -0.43 1.25 -1.05 0.00 0.00 178.16 178.23 2qpq h LEU 33 N 0.00 0.97 -0.32 3.88 5.85 -0.79 -1.42 115.31 123.48 2qpq h LEU 33 Ca -0.01 -0.49 0.04 0.00 0.84 0.00 0.00 57.88 58.26 2qpq h LEU 33 Cb 1.49 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 2qpq h LEU 33 CO 0.08 1.27 0.09 0.74 -0.34 0.00 0.00 178.44 180.28 2qpq h THR 34 N 0.70 0.87 0.18 1.05 2.02 -1.21 -3.11 112.91 113.42 2qpq h THR 34 Ca 0.04 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 2qpq h THR 34 Cb 1.03 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 2qpq h THR 34 CO 0.10 0.04 -0.25 -0.33 0.37 0.00 0.00 175.52 175.45 2qpq h GLU 35 N 0.22 -0.43 -7.26 6.66 5.08 -1.48 -3.24 114.58 114.13 2qpq h GLU 35 Ca 0.15 0.03 -0.44 0.00 -1.00 0.00 0.00 59.36 58.10 2qpq h GLU 35 Cb 0.14 0.10 0.19 0.00 0.50 0.00 0.00 28.75 29.68 2qpq h GLU 35 CO -0.18 -0.29 0.10 -1.12 -1.00 0.00 0.00 179.01 176.52 2qpq s SER 36 N -3.33 1.62 0.00 1.42 0.01 -0.54 -3.97 113.70 108.90 2qpq s SER 36 Ca -0.08 1.25 0.00 0.00 1.31 0.00 0.00 55.95 58.43 2qpq s SER 36 Cb 0.02 -1.95 0.00 0.00 0.21 0.00 0.00 66.02 64.30 2qpq s SER 36 CO 0.29 -3.76 0.00 0.00 0.41 0.00 0.00 173.24 170.17 2qpq n LEU 37 N -4.60 0.05 -0.10 2.44 -0.00 -1.26 -4.37 117.00 109.17 2qpq n LEU 37 Ca 0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 56.04 2qpq n LEU 37 Cb 0.56 -0.08 -0.01 0.00 -0.00 0.00 0.00 43.42 43.90 2qpq n LEU 37 CO 0.57 -0.03 -0.01 0.61 -0.00 0.00 0.00 177.39 178.53 2qpq n GLY 38 N 0.73 0.50 3.05 1.47 0.00 -1.22 -4.93 105.19 104.77 2qpq n GLY 38 Ca 0.00 -0.80 -0.09 0.00 0.00 0.00 0.00 46.02 45.13 2qpq n GLY 38 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qpq s GLN 39 N -1.72 0.45 0.04 1.61 -1.52 -1.25 -5.07 119.66 112.20 2qpq s GLN 39 Ca 0.00 -0.73 -0.30 0.00 -1.95 0.00 0.00 55.36 52.37 2qpq s GLN 39 Cb 0.00 0.17 -0.07 0.00 -0.22 0.00 0.00 33.01 32.89 2qpq s GLN 39 CO 0.00 -0.09 1.53 0.99 -0.25 0.00 0.00 175.29 177.47 2qpq s THR 40 N -2.16 3.36 -0.88 -0.19 2.01 -1.26 -4.14 115.64 112.37 2qpq s THR 40 Ca -0.09 0.79 -0.21 0.00 0.31 0.00 0.00 61.69 62.48 2qpq s THR 40 Cb -0.04 -3.51 0.09 0.00 0.01 0.00 0.00 72.50 69.05 2qpq s THR 40 CO -0.03 -0.00 1.17 0.00 -0.69 0.00 0.00 174.62 175.07 2qpq s ALA 41 N 2.49 3.13 0.03 7.40 0.00 -1.26 -1.60 121.76 131.95 2qpq s ALA 41 Ca 0.69 -2.37 -0.30 0.00 0.00 0.00 0.00 51.96 49.97 2qpq s ALA 41 Cb -0.36 -4.13 -0.07 0.00 0.00 0.00 0.00 23.12 18.57 2qpq s ALA 41 CO 0.29 -3.10 1.48 0.08 0.00 0.00 0.00 175.76 174.52 2qpq s VAL 42 N 3.69 3.47 -0.19 0.00 1.01 -0.03 -4.76 120.40 123.58 2qpq s VAL 42 Ca 0.33 0.89 -0.06 0.00 0.00 0.00 0.00 61.98 63.14 2qpq s VAL 42 Cb -0.07 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 2qpq s VAL 42 CO -0.04 0.00 0.02 -0.69 0.00 0.00 0.00 175.10 174.40 2qpq s VAL 43 N 2.40 4.33 0.01 2.92 1.01 -1.26 -0.18 120.40 129.62 2qpq s VAL 43 Ca 0.67 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.47 2qpq s VAL 43 Cb -0.34 -2.94 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 2qpq s VAL 43 CO 0.28 0.45 -0.05 -1.83 0.00 0.00 0.00 175.10 173.96 2qpq s GLU 44 N 0.62 0.37 -0.15 2.72 -1.05 -0.29 -4.97 118.70 115.95 2qpq s GLU 44 Ca 0.01 -0.30 -0.17 0.00 -0.15 0.00 0.00 54.97 54.35 2qpq s GLU 44 Cb -0.14 -0.29 -0.04 0.00 -0.44 0.00 0.00 34.13 33.22 2qpq s GLU 44 CO 0.02 0.07 0.45 -0.80 0.95 0.00 0.00 175.26 175.95 2qpq s ASN 45 N -0.48 6.61 -0.52 0.83 0.01 -1.26 0.24 114.94 120.36 2qpq s ASN 45 Ca -0.02 0.72 0.06 0.00 -0.71 0.00 0.00 52.86 52.91 2qpq s ASN 45 Cb -0.04 -2.27 0.23 0.00 0.41 0.00 0.00 41.25 39.58 2qpq s ASN 45 CO -0.00 -0.03 0.57 0.54 -1.51 0.00 0.00 177.10 176.67 2qpq n ARG 46 N 3.94 1.42 -0.01 -0.60 5.12 0.29 -4.88 116.66 121.94 2qpq n ARG 46 Ca -0.07 -3.89 0.14 0.00 -1.93 0.00 0.00 57.85 52.09 2qpq n ARG 46 Cb 0.51 -1.79 0.59 0.00 -1.16 0.00 0.00 32.46 30.61 2qpq n ARG 46 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2qpq n PRO 47 N 1.51 1.53 -1.64 5.56 -0.04 -1.26 -2.50 135.00 138.16 2qpq n PRO 47 Ca 0.25 -0.77 -0.44 0.00 -0.04 0.00 0.00 63.50 62.50 2qpq n PRO 47 Cb 0.46 -1.47 -0.01 0.00 -0.04 0.00 0.00 33.50 32.44 2qpq n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qpq n GLY 48 N 1.12 0.13 3.49 0.55 0.00 -1.26 -2.55 105.19 106.67 2qpq n GLY 48 Ca 0.19 0.33 -0.20 0.00 0.00 0.00 0.00 46.02 46.35 2qpq n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qpq n ALA 49 N 0.37 -2.23 -2.28 4.61 0.00 -1.26 -1.71 120.51 118.02 2qpq n ALA 49 Ca 0.08 -0.06 -0.16 0.00 0.00 0.00 0.00 53.44 53.30 2qpq n ALA 49 Cb 0.33 -3.52 -0.02 0.00 0.00 0.00 0.00 19.45 16.25 2qpq n ALA 49 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2qpq n SER 50 N -3.08 -4.80 0.00 0.00 7.64 -1.20 -1.15 113.62 111.03 2qpq n SER 50 Ca -0.20 0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.82 2qpq n SER 50 Cb 0.65 -4.07 0.00 0.00 -1.01 0.00 0.00 64.21 59.77 2qpq n SER 50 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qpq n GLY 51 N -0.81 0.37 0.20 0.23 0.00 -0.92 -4.80 105.19 99.47 2qpq n GLY 51 Ca -0.19 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.86 2qpq n GLY 51 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2qpq h ASN 52 N 0.00 0.00 0.04 1.61 2.35 -0.54 -0.43 115.58 118.60 2qpq h ASN 52 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2qpq h ASN 52 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2qpq h ASN 52 CO 0.00 0.32 -0.02 0.58 -1.65 0.00 0.00 177.43 176.66 2qpq h VAL 53 N 0.00 1.22 -0.84 2.81 2.07 -1.56 0.14 116.25 120.10 2qpq h VAL 53 Ca -0.00 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 2qpq h VAL 53 Cb 0.57 1.78 -0.04 0.00 -1.52 0.00 0.00 31.29 32.08 2qpq h VAL 53 CO 0.04 0.21 0.48 1.23 0.02 0.00 0.00 177.57 179.55 2qpq h GLY 54 N -0.42 1.23 0.94 2.17 0.00 -1.25 -2.09 103.07 103.65 2qpq h GLY 54 Ca -0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 2qpq h GLY 54 CO 0.01 0.52 0.15 0.00 0.00 0.00 0.00 176.54 177.22 2qpq h ALA 55 N 1.26 0.39 -0.71 3.60 0.00 -0.92 -1.88 119.26 120.99 2qpq h ALA 55 Ca 0.30 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2qpq h ALA 55 Cb -0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2qpq h ALA 55 CO -0.05 -0.06 0.32 -0.09 0.00 0.00 0.00 179.25 179.37 2qpq h ARG 56 N 0.36 1.03 0.39 0.00 2.43 -0.74 -0.05 114.38 117.81 2qpq h ARG 56 Ca 0.11 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 2qpq h ARG 56 Cb 0.10 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 2qpq h ARG 56 CO -0.01 0.82 -0.27 1.25 -1.51 0.00 0.00 179.97 180.24 2qpq h LEU 57 N 1.02 -0.70 -0.74 3.80 5.85 -1.14 -2.74 115.31 120.65 2qpq h LEU 57 Ca 0.24 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.98 2qpq h LEU 57 Cb 0.14 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 2qpq h LEU 57 CO -0.03 -0.42 0.33 0.58 -0.34 0.00 0.00 178.44 178.56 2qpq h VAL 58 N -0.65 1.25 -1.09 1.05 2.07 -1.00 -2.40 116.25 115.48 2qpq h VAL 58 Ca -0.04 -0.73 0.31 0.00 0.82 0.00 0.00 66.70 67.07 2qpq h VAL 58 Cb 0.55 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 2qpq h VAL 58 CO 0.02 0.30 0.78 0.00 0.02 0.00 0.00 177.57 178.68 2qpq h ALA 59 N 1.17 2.96 -0.02 1.67 0.00 -0.85 -1.39 119.26 122.80 2qpq h ALA 59 Ca 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2qpq h ALA 59 Cb 0.16 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2qpq h ALA 59 CO -0.03 -1.28 -0.30 -0.25 0.00 0.00 0.00 179.25 177.39 2qpq n ASP 60 N -4.25 1.86 -4.88 0.00 8.00 -0.92 -4.89 116.55 111.47 2qpq n ASP 60 Ca 0.23 -1.42 -0.30 0.00 0.71 0.00 0.00 54.79 54.01 2qpq n ASP 60 Cb 1.13 0.26 0.01 0.00 -0.02 0.00 0.00 41.12 42.50 2qpq n ASP 60 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2qpq s ARG 61 N -2.36 3.49 0.47 -1.24 1.81 -0.52 -5.03 118.95 115.56 2qpq s ARG 61 Ca 0.23 0.56 -0.24 0.00 -1.72 0.00 0.00 55.73 54.56 2qpq s ARG 61 Cb 0.19 -2.15 -0.08 0.00 -0.45 0.00 0.00 34.95 32.46 2qpq s ARG 61 CO 0.49 -0.53 1.32 0.00 -0.68 0.00 0.00 175.30 175.90 2qpq n ALA 62 N -2.65 1.51 -1.51 2.13 0.00 -1.26 -4.83 120.51 113.90 2qpq n ALA 62 Ca 0.05 0.21 -0.33 0.00 0.00 0.00 0.00 53.44 53.37 2qpq n ALA 62 Cb 0.55 -2.31 -0.05 0.00 0.00 0.00 0.00 19.45 17.63 2qpq n ALA 62 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2qpq n PRO 63 N -0.33 3.48 -0.00 0.00 -0.04 -1.26 -4.43 135.00 132.42 2qpq n PRO 63 Ca 0.07 -2.43 0.03 0.00 -0.04 0.00 0.00 63.50 61.13 2qpq n PRO 63 Cb 0.42 -2.49 0.03 0.00 -0.04 0.00 0.00 33.50 31.41 2qpq n PRO 63 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2qpq n ASP 64 N 2.32 1.52 0.00 3.54 5.68 -1.26 -4.25 116.55 124.09 2qpq n ASP 64 Ca 0.62 -1.27 0.00 0.00 -0.50 0.00 0.00 54.79 53.64 2qpq n ASP 64 Cb 0.41 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.39 2qpq n ASP 64 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qpq n GLY 65 N 0.29 0.94 0.19 6.12 0.00 -1.26 -4.93 105.19 106.54 2qpq n GLY 65 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.17 2qpq n GLY 65 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2qpq n TYR 66 N -2.00 0.00 -4.03 1.61 4.01 -1.26 -4.77 117.16 110.72 2qpq n TYR 66 Ca 0.00 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.45 2qpq n TYR 66 Cb 0.00 -0.12 -0.17 0.00 -0.31 0.00 0.00 39.34 38.74 2qpq n TYR 66 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2qpq s SER 67 N -2.71 2.44 0.13 7.72 0.01 -1.26 -0.56 113.70 119.47 2qpq s SER 67 Ca 0.17 -0.41 0.06 0.00 1.31 0.00 0.00 55.95 57.08 2qpq s SER 67 Cb 0.18 -1.03 -0.04 0.00 0.21 0.00 0.00 66.02 65.34 2qpq s SER 67 CO 0.63 -0.07 -0.13 -0.76 0.41 0.00 0.00 173.24 173.32 2qpq s LEU 68 N 1.50 2.44 -0.19 2.44 1.02 -0.36 -4.36 118.68 121.17 2qpq s LEU 68 Ca 0.03 -0.86 0.00 0.00 0.02 0.00 0.00 54.13 53.33 2qpq s LEU 68 Cb -0.13 -0.52 0.02 0.00 0.02 0.00 0.00 46.19 45.58 2qpq s LEU 68 CO -0.09 -0.18 -0.17 -0.22 0.02 0.00 0.00 176.35 175.71 2qpq s LEU 69 N -2.65 2.33 -0.26 1.79 2.96 0.23 -0.40 118.68 122.69 2qpq s LEU 69 Ca 0.11 -0.67 -0.24 0.00 -0.22 0.00 0.00 54.13 53.12 2qpq s LEU 69 Cb -0.03 -1.52 -0.01 0.00 0.50 0.00 0.00 46.19 45.13 2qpq s LEU 69 CO 0.03 -0.02 0.79 -0.32 -1.32 0.00 0.00 176.35 175.51 2qpq s MET 70 N 1.30 4.13 0.24 1.98 -2.45 0.11 -1.04 119.30 123.57 2qpq s MET 70 Ca 0.04 0.80 0.10 0.00 -1.25 0.00 0.00 55.69 55.39 2qpq s MET 70 Cb -0.14 -3.66 -0.05 0.00 1.25 0.00 0.00 34.83 32.23 2qpq s MET 70 CO -0.11 -0.53 -0.19 0.14 1.05 0.00 0.00 175.02 175.38 2qpq s VAL 71 N 2.81 2.19 0.33 10.11 -7.23 0.96 -2.45 120.40 127.11 2qpq s VAL 71 Ca 0.33 -2.27 0.02 0.00 -1.81 0.00 0.00 61.98 58.25 2qpq s VAL 71 Cb -0.15 -2.16 -0.01 0.00 0.56 0.00 0.00 36.38 34.62 2qpq s VAL 71 CO 0.09 -0.42 0.06 -0.46 -0.31 0.00 0.00 175.10 174.05 2qpq n ASN 72 N -0.38 1.97 -0.38 4.85 6.94 -1.26 -0.88 115.26 126.13 2qpq n ASN 72 Ca -0.07 -2.60 0.37 0.00 -0.02 0.00 0.00 54.58 52.26 2qpq n ASN 72 Cb 0.59 0.54 0.75 0.00 -2.36 0.00 0.00 39.78 39.30 2qpq n ASN 72 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2qpq h SER 73 N 1.06 0.03 -0.99 0.53 0.02 -1.73 0.30 113.55 112.76 2qpq h SER 73 Ca -0.27 0.01 0.32 0.00 -0.84 0.00 0.00 61.79 61.01 2qpq h SER 73 Cb 0.91 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.30 2qpq h SER 73 CO 0.43 0.00 0.53 0.28 -1.14 0.00 0.00 176.83 176.93 2qpq h SER 74 N 0.02 0.44 -0.95 3.07 0.02 -1.90 0.44 113.55 114.69 2qpq h SER 74 Ca 0.63 0.20 0.15 0.00 -0.84 0.00 0.00 61.79 61.92 2qpq h SER 74 Cb 2.46 0.16 -0.09 0.00 0.14 0.00 0.00 62.40 65.07 2qpq h SER 74 CO -0.03 -0.17 0.56 0.15 -1.14 0.00 0.00 176.83 176.21 2qpq h PHE 75 N 0.28 1.00 0.00 3.45 3.57 -1.24 -0.24 116.94 123.77 2qpq h PHE 75 Ca 0.73 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 62.26 2qpq h PHE 75 Cb 1.67 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 40.11 2qpq h PHE 75 CO -0.04 0.30 -0.00 0.00 -2.23 0.00 0.00 178.31 176.34 2qpq h ALA 76 N 1.58 1.00 0.07 2.41 0.00 -0.31 -3.24 119.26 120.77 2qpq h ALA 76 Ca 0.51 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 55.17 2qpq h ALA 76 Cb 0.67 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2qpq h ALA 76 CO -0.33 0.00 -1.10 0.28 0.00 0.00 0.00 179.25 178.10 2qpq h VAL 77 N 0.00 1.47 -0.98 0.00 2.07 -0.62 -3.36 116.25 114.82 2qpq h VAL 77 Ca -0.00 -2.82 0.07 0.00 0.82 0.00 0.00 66.70 64.77 2qpq h VAL 77 Cb 0.89 2.72 -0.07 0.00 -1.52 0.00 0.00 31.29 33.31 2qpq h VAL 77 CO 0.00 0.83 0.63 0.78 0.02 0.00 0.00 177.57 179.83 2qpq h ASN 78 N 0.13 1.00 -0.31 0.57 -0.26 -1.24 -2.37 115.58 113.10 2qpq h ASN 78 Ca -0.10 0.01 0.02 0.00 -0.56 0.00 0.00 56.30 55.67 2qpq h ASN 78 Cb 1.79 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 38.84 2qpq h ASN 78 CO 0.18 0.63 0.20 -0.65 -1.06 0.00 0.00 177.43 176.73 2qpq h PRO 79 N 1.13 0.32 0.00 0.81 0.11 -1.75 -1.30 132.00 131.32 2qpq h PRO 79 Ca 0.43 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.51 2qpq h PRO 79 Cb 0.20 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.24 2qpq h PRO 79 CO -0.18 0.21 -0.04 0.78 -0.21 0.00 0.00 178.00 178.55 2qpq h GLY 80 N 0.33 0.00 -0.11 -0.55 0.00 -1.69 -3.36 103.07 97.68 2qpq h GLY 80 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 2qpq h GLY 80 CO -0.03 0.00 -0.25 3.33 0.00 0.00 0.00 176.54 179.60 2qpq n VAL 81 N -3.11 0.00 -3.98 4.60 0.24 -0.90 -4.80 118.33 110.37 2qpq n VAL 81 Ca 0.04 -0.38 -0.35 0.00 -2.04 0.00 0.00 64.34 61.61 2qpq n VAL 81 Cb 0.54 1.03 -0.09 0.00 -1.47 0.00 0.00 33.84 33.85 2qpq n VAL 81 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2qpq s PHE 82 N -1.42 3.31 0.17 6.34 0.40 -0.54 0.42 117.98 126.66 2qpq s PHE 82 Ca 0.04 0.19 -0.11 0.00 -0.60 0.00 0.00 56.93 56.45 2qpq s PHE 82 Cb 0.05 -2.04 0.06 0.00 0.51 0.00 0.00 43.02 41.60 2qpq s PHE 82 CO 0.23 0.29 1.65 0.00 0.70 0.00 0.00 175.22 178.09 2qpq h ARG 83 N 6.30 0.97 -2.07 0.44 3.08 -1.89 -3.38 114.38 117.83 2qpq h ARG 83 Ca -0.41 -0.27 -0.57 0.00 0.07 0.00 0.00 59.98 58.80 2qpq h ARG 83 Cb 1.18 -0.11 -0.39 0.00 0.08 0.00 0.00 29.97 30.72 2qpq h ARG 83 CO 0.68 0.93 -1.02 0.09 -1.07 0.00 0.00 179.97 179.58 2qpq n ASN 84 N -4.30 0.62 -4.72 7.04 4.13 -1.26 -5.10 115.26 111.67 2qpq n ASN 84 Ca 0.03 -2.77 -0.42 0.00 1.68 0.00 0.00 54.58 53.09 2qpq n ASN 84 Cb 0.29 -0.64 -0.03 0.00 -1.54 0.00 0.00 39.78 37.86 2qpq n ASN 84 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 2qpq n LEU 85 N 1.46 4.01 -0.63 3.41 7.94 -1.26 -4.87 117.00 127.05 2qpq n LEU 85 Ca 0.23 1.07 0.01 0.00 -1.11 0.00 0.00 56.01 56.20 2qpq n LEU 85 Cb 0.51 -1.57 0.04 0.00 0.53 0.00 0.00 43.42 42.92 2qpq n LEU 85 CO 0.20 0.17 0.31 -0.81 -1.11 0.00 0.00 177.39 176.15 2qpq n PRO 86 N 3.77 1.35 -3.82 1.96 -0.04 -1.26 -4.81 135.00 132.16 2qpq n PRO 86 Ca 0.15 -0.28 -0.08 0.00 -0.04 0.00 0.00 63.50 63.25 2qpq n PRO 86 Cb 0.35 -1.56 -0.02 0.00 -0.04 0.00 0.00 33.50 32.22 2qpq n PRO 86 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2qpq s PHE 87 N -1.15 -0.22 -0.41 0.54 -0.12 -1.26 -4.98 117.98 110.38 2qpq s PHE 87 Ca 0.05 -0.21 -0.17 0.00 -0.05 0.00 0.00 56.93 56.55 2qpq s PHE 87 Cb 0.04 0.69 0.02 0.00 -0.63 0.00 0.00 43.02 43.13 2qpq s PHE 87 CO 0.01 -1.20 0.41 0.34 -0.05 0.00 0.00 175.22 174.73 2qpq s ASP 88 N -2.90 6.18 0.38 1.98 -1.08 -1.26 -4.95 116.67 115.01 2qpq s ASP 88 Ca 0.10 -0.67 0.28 0.00 -0.52 0.00 0.00 52.55 51.74 2qpq s ASP 88 Cb -0.05 -2.21 1.13 0.00 -1.46 0.00 0.00 42.92 40.33 2qpq s ASP 88 CO 0.05 -0.54 1.83 1.55 0.52 0.00 0.00 175.17 178.58 2qpq h PRO 89 N 8.69 0.00 0.00 4.34 0.13 -1.96 0.29 132.00 143.48 2qpq h PRO 89 Ca -0.27 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.72 2qpq h PRO 89 Cb 1.11 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 2qpq h PRO 89 CO 0.78 0.00 -1.00 1.63 -0.23 0.00 0.00 178.00 179.17 2qpq n LYS 90 N -2.60 0.52 0.10 0.86 5.02 -1.26 -4.56 118.16 116.25 2qpq n LYS 90 Ca 0.02 0.55 -0.04 0.00 -2.02 0.00 0.00 58.31 56.81 2qpq n LYS 90 Cb 0.27 -1.72 0.04 0.00 -0.02 0.00 0.00 35.03 33.60 2qpq n LYS 90 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2qpq h LYS 91 N -1.00 0.01 -0.03 1.97 1.63 -1.96 -3.29 116.57 113.91 2qpq h LYS 91 Ca -0.22 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.57 2qpq h LYS 91 Cb 1.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.63 2qpq h LYS 91 CO -0.13 0.79 0.00 -0.25 -3.45 0.00 0.00 179.45 176.41 2qpq n ASP 92 N -3.61 0.82 -3.98 4.20 8.00 0.08 -4.26 116.55 117.80 2qpq n ASP 92 Ca -0.01 -1.33 -0.09 0.00 0.71 0.00 0.00 54.79 54.06 2qpq n ASP 92 Cb 0.76 -0.01 -0.11 0.00 -0.02 0.00 0.00 41.12 41.73 2qpq n ASP 92 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2qpq s PHE 93 N -1.98 0.28 -0.02 1.24 0.08 -1.24 -1.56 117.98 114.78 2qpq s PHE 93 Ca 0.40 -0.50 0.02 0.00 0.12 0.00 0.00 56.93 56.97 2qpq s PHE 93 Cb 0.20 -0.20 0.00 0.00 -0.57 0.00 0.00 43.02 42.46 2qpq s PHE 93 CO 0.33 -0.17 -0.08 0.00 -0.10 0.00 0.00 175.22 175.20 2qpq s ALA 94 N -1.38 0.78 0.37 5.36 0.00 -0.05 -4.39 121.76 122.44 2qpq s ALA 94 Ca -0.15 -0.28 -0.25 0.00 0.00 0.00 0.00 51.96 51.28 2qpq s ALA 94 Cb -0.09 -0.30 -0.10 0.00 0.00 0.00 0.00 23.12 22.63 2qpq s ALA 94 CO -0.01 0.12 0.99 0.00 0.00 0.00 0.00 175.76 176.86 2qpq s ALA 95 N 0.23 3.14 -0.06 0.00 0.00 -1.26 -0.47 121.76 123.34 2qpq s ALA 95 Ca -0.03 0.58 -0.07 0.00 0.00 0.00 0.00 51.96 52.44 2qpq s ALA 95 Cb -0.08 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 2qpq s ALA 95 CO 0.00 0.01 -0.15 0.28 0.00 0.00 0.00 175.76 175.90 2qpq n VAL 96 N 0.16 1.07 -3.63 0.00 0.31 -0.15 -4.37 118.33 111.71 2qpq n VAL 96 Ca 0.04 0.10 -0.13 0.00 -0.01 0.00 0.00 64.34 64.34 2qpq n VAL 96 Cb 0.50 -1.81 -0.07 0.00 -0.91 0.00 0.00 33.84 31.55 2qpq n VAL 96 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 2qpq s ILE 97 N -2.32 -0.00 -0.28 2.52 2.07 -1.12 -2.24 121.20 119.83 2qpq s ILE 97 Ca -0.14 0.00 -0.11 0.00 -1.41 0.00 0.00 60.65 58.98 2qpq s ILE 97 Cb 0.04 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.58 2qpq s ILE 97 CO 0.20 0.00 0.20 0.21 -1.91 0.00 0.00 174.94 173.64 2qpq s ASN 98 N 0.62 6.05 -0.02 4.50 2.47 -0.32 -1.16 114.94 127.07 2qpq s ASN 98 Ca -0.02 0.03 0.20 0.00 0.42 0.00 0.00 52.86 53.49 2qpq s ASN 98 Cb -0.05 -2.13 -0.29 0.00 -1.45 0.00 0.00 41.25 37.33 2qpq s ASN 98 CO -0.03 -0.05 0.57 1.33 -3.72 0.00 0.00 177.10 175.19 2qpq n VAL 99 N 5.01 0.00 -3.60 -5.21 0.24 -0.01 -2.12 118.33 112.63 2qpq n VAL 99 Ca -0.14 -0.34 -0.11 0.00 -2.04 0.00 0.00 64.34 61.71 2qpq n VAL 99 Cb 0.52 0.32 -0.06 0.00 -1.47 0.00 0.00 33.84 33.14 2qpq n VAL 99 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qpq s ALA 100 N -3.26 -1.92 0.16 2.33 0.00 -1.21 -1.21 121.76 116.64 2qpq s ALA 100 Ca -0.03 1.72 0.06 0.00 0.00 0.00 0.00 51.96 53.71 2qpq s ALA 100 Cb 0.14 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 2qpq s ALA 100 CO 0.84 -0.28 0.06 0.71 0.00 0.00 0.00 175.76 177.08 2qpq s TYR 101 N -0.43 2.99 -0.03 0.00 2.02 0.74 -1.66 117.35 120.98 2qpq s TYR 101 Ca -0.00 -0.07 -0.01 0.00 -0.37 0.00 0.00 57.07 56.62 2qpq s TYR 101 Cb -0.03 -1.46 0.03 0.00 -0.40 0.00 0.00 41.96 40.11 2qpq s TYR 101 CO -0.01 0.52 0.04 0.54 -1.57 0.00 0.00 175.55 175.07 2qpq s VAL 102 N -1.69 -0.08 0.71 0.71 0.11 0.04 -0.89 120.40 119.32 2qpq s VAL 102 Ca 0.29 0.29 -0.12 0.00 -2.93 0.00 0.00 61.98 59.50 2qpq s VAL 102 Cb -0.10 -0.10 0.02 0.00 -1.53 0.00 0.00 36.38 34.67 2qpq s VAL 102 CO 0.21 0.12 1.09 -2.16 -3.33 0.00 0.00 175.10 171.02 2qpq s PRO 103 N 1.43 2.62 0.57 1.54 0.04 -1.26 -2.34 135.00 137.61 2qpq s PRO 103 Ca -0.04 1.21 -0.08 0.00 0.04 0.00 0.00 61.00 62.13 2qpq s PRO 103 Cb -0.13 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 2qpq s PRO 103 CO -0.03 -1.36 0.92 -1.12 0.04 0.00 0.00 177.00 175.45 2qpq s SER 104 N -3.14 6.01 -0.02 6.66 0.01 -1.26 -0.35 113.70 121.62 2qpq s SER 104 Ca 0.63 1.05 0.01 0.00 1.31 0.00 0.00 55.95 58.95 2qpq s SER 104 Cb -0.18 -2.16 0.01 0.00 0.21 0.00 0.00 66.02 63.90 2qpq s SER 104 CO 0.49 -0.86 -0.04 0.54 0.41 0.00 0.00 173.24 173.78 2qpq s VAL 105 N -3.00 0.41 -0.42 3.43 0.11 0.49 -1.23 120.40 120.19 2qpq s VAL 105 Ca 0.52 -0.15 -0.27 0.00 -2.93 0.00 0.00 61.98 59.15 2qpq s VAL 105 Cb -0.11 -0.40 0.02 0.00 -1.53 0.00 0.00 36.38 34.37 2qpq s VAL 105 CO 0.48 0.15 1.00 -0.36 -3.33 0.00 0.00 175.10 173.04 2qpq s PHE 106 N 0.33 2.98 0.07 1.54 0.40 -0.37 -2.16 117.98 120.77 2qpq s PHE 106 Ca -0.04 0.70 0.09 0.00 -0.60 0.00 0.00 56.93 57.09 2qpq s PHE 106 Cb -0.07 -3.94 -0.03 0.00 0.51 0.00 0.00 43.02 39.48 2qpq s PHE 106 CO -0.00 -1.01 -0.22 0.14 0.70 0.00 0.00 175.22 174.83 2qpq s VAL 107 N 3.82 2.54 0.12 -0.44 -7.23 -0.17 0.12 120.40 119.16 2qpq s VAL 107 Ca 0.41 -1.41 0.05 0.00 -1.81 0.00 0.00 61.98 59.23 2qpq s VAL 107 Cb -0.10 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.72 2qpq s VAL 107 CO 0.24 0.25 -0.12 0.68 -0.31 0.00 0.00 175.10 175.84 2qpq s VAL 108 N -0.96 1.20 0.64 1.32 -7.23 0.16 -1.38 120.40 114.15 2qpq s VAL 108 Ca 0.14 -1.79 -0.18 0.00 -1.81 0.00 0.00 61.98 58.34 2qpq s VAL 108 Cb -0.10 -1.57 -0.01 0.00 0.56 0.00 0.00 36.38 35.25 2qpq s VAL 108 CO 0.06 -0.54 1.26 -2.65 -0.31 0.00 0.00 175.10 172.92 2qpq n PRO 109 N 0.34 1.11 -1.57 4.82 -0.02 -1.26 -0.77 135.00 137.65 2qpq n PRO 109 Ca -0.14 0.43 -0.53 0.00 -2.02 0.00 0.00 63.50 61.24 2qpq n PRO 109 Cb 0.58 -2.50 -0.06 0.00 -0.02 0.00 0.00 33.50 31.50 2qpq n PRO 109 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qpq n ALA 110 N -1.88 -1.62 -1.03 3.55 0.00 -0.78 -1.44 120.51 117.32 2qpq n ALA 110 Ca 0.16 0.53 -0.01 0.00 0.00 0.00 0.00 53.44 54.12 2qpq n ALA 110 Cb 0.48 -1.99 -0.00 0.00 0.00 0.00 0.00 19.45 17.93 2qpq n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qpq n GLY 111 N 2.23 0.47 3.75 0.00 0.00 -1.26 -5.02 105.19 105.36 2qpq n GLY 111 Ca 0.18 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 2qpq n GLY 111 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qpq s SER 112 N -2.23 5.18 0.58 1.61 0.15 -0.52 -4.91 113.70 113.56 2qpq s SER 112 Ca 0.00 2.74 0.39 0.00 0.70 0.00 0.00 55.95 59.77 2qpq s SER 112 Cb 0.00 -2.63 1.99 0.00 -1.71 0.00 0.00 66.02 63.67 2qpq s SER 112 CO 0.00 -1.63 2.18 0.07 1.20 0.00 0.00 173.24 175.06 2qpq h LYS 113 N 1.32 0.00 -5.40 5.44 2.10 -1.95 -3.39 116.57 114.69 2qpq h LYS 113 Ca -0.51 0.00 -0.65 0.00 -2.00 0.00 0.00 60.65 57.49 2qpq h LYS 113 Cb 1.30 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 32.48 2qpq h LYS 113 CO 0.57 0.00 0.18 0.71 -2.00 0.00 0.00 179.45 178.90 2qpq s TYR 114 N -3.93 3.02 -0.12 0.07 2.02 -1.26 -4.88 117.35 112.27 2qpq s TYR 114 Ca -0.03 -0.14 0.17 0.00 -0.37 0.00 0.00 57.07 56.71 2qpq s TYR 114 Cb 0.11 -3.50 -0.21 0.00 -0.40 0.00 0.00 41.96 37.96 2qpq s TYR 114 CO 0.41 -0.97 0.51 1.63 -1.57 0.00 0.00 175.55 175.57 2qpq n LYS 115 N 6.42 0.65 -4.18 -0.62 4.01 -1.26 -4.97 118.16 118.20 2qpq n LYS 115 Ca -0.02 0.11 -0.11 0.00 -0.51 0.00 0.00 58.31 57.79 2qpq n LYS 115 Cb 0.47 -1.68 -0.10 0.00 -0.51 0.00 0.00 35.03 33.21 2qpq n LYS 115 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 2qpq s THR 116 N -2.79 0.36 0.41 -0.18 -4.23 -1.26 -4.92 115.64 103.03 2qpq s THR 116 Ca -0.06 -1.92 0.08 0.00 -1.18 0.00 0.00 61.69 58.60 2qpq s THR 116 Cb 0.08 -1.98 0.27 0.00 1.34 0.00 0.00 72.50 72.22 2qpq s THR 116 CO 0.83 -0.56 2.05 0.25 -0.54 0.00 0.00 174.62 176.65 2qpq h LEU 117 N 2.85 0.46 -0.91 4.79 5.85 -1.94 -2.92 115.31 123.49 2qpq h LEU 117 Ca -0.36 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.32 2qpq h LEU 117 Cb 1.19 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 2qpq h LEU 117 CO 0.62 0.33 0.33 1.23 -0.34 0.00 0.00 178.44 180.61 2qpq h GLY 118 N 0.54 1.20 1.07 3.75 0.00 -1.93 -1.13 103.07 106.57 2qpq h GLY 118 Ca 0.17 -0.62 -0.05 0.00 0.00 0.00 0.00 47.33 46.83 2qpq h GLY 118 CO -0.04 0.59 0.31 0.83 0.00 0.00 0.00 176.54 178.23 2qpq h GLU 119 N 1.10 1.18 -0.04 4.80 5.08 -1.93 -1.50 114.58 123.28 2qpq h GLU 119 Ca 0.26 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2qpq h GLU 119 Cb 0.17 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 2qpq h GLU 119 CO -0.03 0.96 0.01 1.25 -1.00 0.00 0.00 179.01 180.20 2qpq h LEU 120 N 1.15 0.05 -0.69 1.33 5.85 -1.26 -1.57 115.31 120.18 2qpq h LEU 120 Ca 0.26 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 2qpq h LEU 120 Cb 0.22 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 2qpq h LEU 120 CO -0.02 0.24 0.38 0.24 -0.34 0.00 0.00 178.44 178.94 2qpq h MET 121 N -0.13 0.96 -0.34 1.25 2.86 -1.14 -1.05 114.93 117.33 2qpq h MET 121 Ca 0.01 -0.11 0.06 0.00 -2.06 0.00 0.00 59.70 57.60 2qpq h MET 121 Cb 0.20 -0.19 -0.05 0.00 0.06 0.00 0.00 31.60 31.62 2qpq h MET 121 CO -0.00 0.72 0.00 0.00 1.06 0.00 0.00 176.91 178.69 2qpq h ALA 122 N 1.19 0.31 -0.35 6.32 0.00 -1.26 -0.48 119.26 125.00 2qpq h ALA 122 Ca 0.24 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.26 2qpq h ALA 122 Cb 0.03 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2qpq h ALA 122 CO -0.04 -0.40 0.23 0.00 0.00 0.00 0.00 179.25 179.04 2qpq h ALA 123 N 1.29 1.79 -0.44 0.00 0.00 -0.52 -2.62 119.26 118.77 2qpq h ALA 123 Ca 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2qpq h ALA 123 Cb 0.22 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2qpq h ALA 123 CO -0.27 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.16 2qpq n ALA 124 N -2.49 2.38 -0.14 0.00 0.00 -0.47 -4.62 120.51 115.17 2qpq n ALA 124 Ca 0.02 -1.06 -0.04 0.00 0.00 0.00 0.00 53.44 52.36 2qpq n ALA 124 Cb 0.09 -0.80 0.04 0.00 0.00 0.00 0.00 19.45 18.79 2qpq n ALA 124 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2qpq h LYS 125 N 4.00 0.33 -7.21 0.00 1.79 -0.69 0.17 116.57 114.95 2qpq h LYS 125 Ca 0.00 -0.02 -0.49 0.00 -2.18 0.00 0.00 60.65 57.96 2qpq h LYS 125 Cb 0.93 -0.07 0.03 0.00 -1.58 0.00 0.00 32.23 31.54 2qpq h LYS 125 CO 0.00 0.22 0.35 -0.65 -1.08 0.00 0.00 179.45 178.28 2qpq s GLN 126 N -6.14 3.75 0.00 3.15 -0.21 -1.26 -4.45 119.66 114.50 2qpq s GLN 126 Ca -0.13 0.76 0.00 0.00 0.02 0.00 0.00 55.36 56.01 2qpq s GLN 126 Cb 0.14 -2.16 0.00 0.00 1.00 0.00 0.00 33.01 31.99 2qpq s GLN 126 CO 0.72 -0.37 0.05 0.25 -2.12 0.00 0.00 175.29 173.83 2qpq n THR 127 N -2.09 0.00 -1.11 -0.19 -2.24 -1.26 -4.46 114.28 102.93 2qpq n THR 127 Ca 0.05 0.33 -0.34 0.00 -2.27 0.00 0.00 64.05 61.82 2qpq n THR 127 Cb 0.54 -0.90 0.10 0.00 -2.10 0.00 0.00 70.33 67.97 2qpq n THR 127 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2qpq n ASN 128 N -0.09 -0.49 0.00 3.42 3.02 -1.26 -4.86 115.26 115.00 2qpq n ASN 128 Ca 0.00 0.54 0.00 0.00 -0.03 0.00 0.00 54.58 55.09 2qpq n ASN 128 Cb 0.00 -1.33 0.00 0.00 -0.61 0.00 0.00 39.78 37.84 2qpq n ASN 128 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2qpq n THR 129 N -2.99 0.00 -2.08 3.41 -2.24 -1.26 -5.10 114.28 104.02 2qpq n THR 129 Ca 0.11 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.91 2qpq n THR 129 Cb 0.51 0.00 0.11 0.00 -2.10 0.00 0.00 70.33 68.85 2qpq n THR 129 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qpq n GLN 130 N -1.44 1.10 -2.73 -0.78 3.00 -1.26 -4.92 117.38 110.35 2qpq n GLN 130 Ca 0.00 -2.85 -0.43 0.00 -0.01 0.00 0.00 57.00 53.71 2qpq n GLN 130 Cb 0.00 -1.01 -0.03 0.00 0.00 0.00 0.00 30.24 29.20 2qpq n GLN 130 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2qpq s VAL 131 N -2.06 4.35 0.10 5.09 1.01 -1.26 -4.97 120.40 122.65 2qpq s VAL 131 Ca 0.37 0.90 0.02 0.00 0.00 0.00 0.00 61.98 63.26 2qpq s VAL 131 Cb 0.38 -4.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 2qpq s VAL 131 CO -0.10 -0.94 0.20 0.42 0.00 0.00 0.00 175.10 174.68 2qpq s THR 132 N 4.08 5.14 -0.04 3.92 -4.23 -1.26 0.15 115.64 123.41 2qpq s THR 132 Ca 0.41 -0.60 0.02 0.00 -1.18 0.00 0.00 61.69 60.34 2qpq s THR 132 Cb -0.09 -3.55 0.01 0.00 1.34 0.00 0.00 72.50 70.21 2qpq s THR 132 CO 0.28 0.05 -0.08 -0.72 -0.54 0.00 0.00 174.62 173.62 2qpq s TYR 133 N -1.57 0.92 0.62 3.99 -0.85 -0.09 -4.23 117.35 116.14 2qpq s TYR 133 Ca 0.34 -0.26 -0.14 0.00 -0.52 0.00 0.00 57.07 56.48 2qpq s TYR 133 Cb -0.12 -0.71 -0.02 0.00 0.38 0.00 0.00 41.96 41.48 2qpq s TYR 133 CO 0.27 -0.15 1.05 0.20 -1.52 0.00 0.00 175.55 175.40 2qpq s GLY 134 N 0.52 1.97 0.30 5.49 0.00 0.98 -0.62 107.32 115.96 2qpq s GLY 134 Ca -0.08 0.28 0.04 0.00 0.00 0.00 0.00 44.72 44.96 2qpq s GLY 134 CO 0.01 0.59 0.21 -1.35 0.00 0.00 0.00 173.10 172.56 2qpq s SER 135 N -3.14 1.32 0.00 1.64 1.04 -0.78 -0.44 113.70 113.34 2qpq s SER 135 Ca 0.61 -1.63 0.25 0.00 0.48 0.00 0.00 55.95 55.66 2qpq s SER 135 Cb -0.15 0.48 1.43 0.00 0.10 0.00 0.00 66.02 67.88 2qpq s SER 135 CO 0.43 -0.97 1.84 0.00 0.98 0.00 0.00 173.24 175.52 2qpq n GLY 137 N 0.62 3.99 3.68 0.00 0.00 -1.10 -1.54 105.19 110.84 2qpq n GLY 137 Ca 0.17 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 2qpq n GLY 137 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qpq n ASN 138 N 0.00 4.11 0.00 1.61 5.15 -1.26 -1.80 115.26 123.07 2qpq n ASN 138 Ca 0.00 0.95 0.00 0.00 -0.60 0.00 0.00 54.58 54.93 2qpq n ASN 138 Cb 0.00 -1.54 0.00 0.00 -0.53 0.00 0.00 39.78 37.71 2qpq n ASN 138 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2qpq n GLY 139 N 4.37 0.77 3.84 8.20 0.00 -1.26 -5.05 105.19 116.06 2qpq n GLY 139 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 2qpq n GLY 139 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qpq s THR 140 N -2.90 4.15 0.55 2.61 -4.23 -0.74 -4.84 115.64 110.23 2qpq s THR 140 Ca 0.00 0.70 0.25 0.00 -1.18 0.00 0.00 61.69 61.45 2qpq s THR 140 Cb 0.00 -3.52 0.36 0.00 1.34 0.00 0.00 72.50 70.68 2qpq s THR 140 CO 0.00 -0.91 2.07 -0.65 -0.54 0.00 0.00 174.62 174.59 2qpq h PRO 141 N -0.63 0.00 -0.05 3.99 0.11 -1.92 0.03 132.00 133.54 2qpq h PRO 141 Ca -0.44 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 2qpq h PRO 141 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2qpq h PRO 141 CO 0.59 0.00 -0.08 1.96 -0.21 0.00 0.00 178.00 180.26 2qpq h GLN 142 N 0.00 0.14 -0.30 1.05 7.50 -1.89 0.19 115.11 121.79 2qpq h GLN 142 Ca 0.13 -0.09 0.07 0.00 0.50 0.00 0.00 58.65 59.27 2qpq h GLN 142 Cb 0.60 0.01 -0.07 0.00 0.05 0.00 0.00 27.48 28.06 2qpq h GLN 142 CO -0.00 0.65 -0.21 1.25 -1.50 0.00 0.00 178.83 179.02 2qpq h HIS 143 N -0.35 -0.54 -0.08 2.96 -0.00 -1.61 -2.40 115.15 113.13 2qpq h HIS 143 Ca 0.00 0.04 -0.05 0.00 -0.00 0.00 0.00 60.37 60.37 2qpq h HIS 143 Cb 0.64 0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 28.32 2qpq h HIS 143 CO 0.11 -0.29 -0.17 -0.07 -0.00 0.00 0.00 177.93 177.51 2qpq h LEU 144 N -0.18 0.12 -0.94 0.26 3.38 -0.79 -1.99 115.31 115.16 2qpq h LEU 144 Ca 0.16 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.15 2qpq h LEU 144 Cb 0.43 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 2qpq h LEU 144 CO -0.41 0.30 0.61 0.00 0.09 0.00 0.00 178.44 179.03 2qpq h ALA 145 N 1.71 1.26 -0.22 1.53 0.00 -0.13 0.39 119.26 123.81 2qpq h ALA 145 Ca 0.02 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 2qpq h ALA 145 Cb 0.38 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2qpq h ALA 145 CO 0.02 0.45 -0.59 0.78 0.00 0.00 0.00 179.25 179.91 2qpq h GLY 146 N 1.16 0.87 1.33 0.00 0.00 -1.11 -1.48 103.07 103.83 2qpq h GLY 146 Ca 0.39 -1.10 -0.10 0.00 0.00 0.00 0.00 47.33 46.52 2qpq h GLY 146 CO -0.14 0.98 -0.14 0.83 0.00 0.00 0.00 176.54 178.07 2qpq h GLU 147 N 0.53 0.79 -0.73 4.80 4.39 -1.07 -1.56 114.58 121.73 2qpq h GLU 147 Ca -0.01 -0.28 -0.05 0.00 0.34 0.00 0.00 59.36 59.36 2qpq h GLU 147 Cb 1.21 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.77 2qpq h GLU 147 CO 0.13 0.88 0.25 1.25 -1.16 0.00 0.00 179.01 180.36 2qpq h LEU 148 N 0.70 1.05 -0.45 1.33 5.85 -0.12 -0.69 115.31 122.99 2qpq h LEU 148 Ca 0.11 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2qpq h LEU 148 Cb 0.63 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 2qpq h LEU 148 CO 0.04 0.97 0.28 0.25 -0.34 0.00 0.00 178.44 179.64 2qpq h LEU 149 N 1.08 0.53 -0.24 2.25 5.85 -1.07 0.95 115.31 124.65 2qpq h LEU 149 Ca 0.24 -0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.97 2qpq h LEU 149 Cb 0.28 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 2qpq h LEU 149 CO -0.01 0.41 -0.12 0.78 -0.34 0.00 0.00 178.44 179.16 2qpq h ASN 150 N 0.60 -0.39 -0.40 1.25 -0.26 -0.80 0.42 115.58 116.00 2qpq h ASN 150 Ca 0.16 0.10 -0.06 0.00 -0.56 0.00 0.00 56.30 55.94 2qpq h ASN 150 Cb -0.03 0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.43 2qpq h ASN 150 CO -0.03 -0.15 0.03 0.58 -1.06 0.00 0.00 177.43 176.80 2qpq h VAL 151 N -0.08 1.25 0.09 2.81 2.07 -0.98 0.11 116.25 121.51 2qpq h VAL 151 Ca 0.13 -0.95 -0.26 0.00 0.82 0.00 0.00 66.70 66.44 2qpq h VAL 151 Cb 0.28 1.09 0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2qpq h VAL 151 CO -0.30 0.32 -1.14 0.28 0.02 0.00 0.00 177.57 176.75 2qpq h SER 152 N 0.52 0.50 -0.03 0.57 0.02 -0.55 -3.25 113.55 111.34 2qpq h SER 152 Ca 0.12 -0.48 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 2qpq h SER 152 Cb 0.43 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.81 2qpq h SER 152 CO 0.01 1.33 -0.03 0.00 -1.14 0.00 0.00 176.83 177.01 2qpq n ALA 153 N -2.55 2.54 -3.70 3.77 0.00 0.14 -4.98 120.51 115.74 2qpq n ALA 153 Ca -0.08 -0.66 -0.26 0.00 0.00 0.00 0.00 53.44 52.44 2qpq n ALA 153 Cb 0.96 -0.85 0.03 0.00 0.00 0.00 0.00 19.45 19.58 2qpq n ALA 153 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2qpq n LYS 154 N 1.12 -2.89 -4.18 0.00 5.02 -0.20 -5.01 118.16 112.03 2qpq n LYS 154 Ca 0.14 0.54 -0.27 0.00 -2.02 0.00 0.00 58.31 56.70 2qpq n LYS 154 Cb 0.56 -4.69 -0.05 0.00 -0.02 0.00 0.00 35.03 30.83 2qpq n LYS 154 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2qpq s THR 155 N -3.62 1.86 -0.32 -0.18 -4.23 0.20 -4.76 115.64 104.59 2qpq s THR 155 Ca 0.23 -1.69 0.13 0.00 -1.18 0.00 0.00 61.69 59.18 2qpq s THR 155 Cb -0.07 -2.56 0.47 0.00 1.34 0.00 0.00 72.50 71.68 2qpq s THR 155 CO 0.84 0.00 1.10 1.41 -0.54 0.00 0.00 174.62 177.43 2qpq n HIS 156 N -1.41 2.14 -2.19 3.99 8.25 0.58 -4.64 115.22 121.94 2qpq n HIS 156 Ca -0.05 -2.50 -0.38 0.00 -0.26 0.00 0.00 57.72 54.53 2qpq n HIS 156 Cb 0.65 -0.26 -0.01 0.00 1.12 0.00 0.00 29.99 31.49 2qpq n HIS 156 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2qpq s MET 157 N -3.55 3.87 -0.23 -0.41 -1.94 -1.26 -4.68 119.30 111.09 2qpq s MET 157 Ca 0.39 1.92 -0.07 0.00 -1.71 0.00 0.00 55.69 56.22 2qpq s MET 157 Cb 0.39 -2.58 -0.03 0.00 2.01 0.00 0.00 34.83 34.62 2qpq s MET 157 CO -0.03 -0.50 0.07 0.08 -0.01 0.00 0.00 175.02 174.63 2qpq s VAL 158 N -1.41 4.45 0.04 -6.03 1.01 0.12 -4.94 120.40 113.64 2qpq s VAL 158 Ca 0.60 -0.13 -0.30 0.00 0.00 0.00 0.00 61.98 62.15 2qpq s VAL 158 Cb -0.32 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 2qpq s VAL 158 CO 0.40 0.37 1.07 -2.28 0.00 0.00 0.00 175.10 174.66 2qpq s HIS 159 N 1.31 3.58 -0.23 5.22 5.04 -1.26 -0.92 115.29 128.03 2qpq s HIS 159 Ca 0.05 1.55 0.02 0.00 -1.54 0.00 0.00 55.06 55.14 2qpq s HIS 159 Cb -0.15 -3.24 0.05 0.00 0.04 0.00 0.00 32.58 29.29 2qpq s HIS 159 CO 0.04 -0.50 -0.11 0.08 -2.34 0.00 0.00 174.74 171.90 2qpq s VAL 160 N 0.90 1.95 0.35 0.89 1.01 0.21 -4.90 120.40 120.82 2qpq s VAL 160 Ca 0.54 -1.35 -0.20 0.00 0.00 0.00 0.00 61.98 60.97 2qpq s VAL 160 Cb -0.25 -2.04 -0.10 0.00 0.00 0.00 0.00 36.38 34.00 2qpq s VAL 160 CO 0.29 0.08 0.86 -2.16 0.00 0.00 0.00 175.10 174.17 2qpq s PRO 161 N 1.23 4.24 0.31 2.72 0.04 -1.26 -1.86 135.00 140.42 2qpq s PRO 161 Ca -0.05 1.01 0.11 0.00 0.04 0.00 0.00 61.00 62.10 2qpq s PRO 161 Cb -0.18 -2.47 -0.05 0.00 0.04 0.00 0.00 34.50 31.84 2qpq s PRO 161 CO -0.07 0.14 -0.12 0.71 0.04 0.00 0.00 177.00 177.70 2qpq s TYR 162 N -1.93 2.39 -1.32 0.56 2.02 -0.59 -4.86 117.35 113.61 2qpq s TYR 162 Ca 0.55 -0.39 -0.13 0.00 -0.37 0.00 0.00 57.07 56.72 2qpq s TYR 162 Cb -0.12 -1.20 0.11 0.00 -0.40 0.00 0.00 41.96 40.35 2qpq s TYR 162 CO 0.17 0.64 1.87 1.17 -1.57 0.00 0.00 175.55 177.83 2qpq n LYS 163 N -0.74 3.26 0.00 -0.62 4.81 -1.26 -2.71 118.16 120.89 2qpq n LYS 163 Ca -0.05 -3.27 0.00 0.00 -0.87 0.00 0.00 58.31 54.12 2qpq n LYS 163 Cb 0.61 -3.18 0.00 0.00 0.02 0.00 0.00 35.03 32.49 2qpq n LYS 163 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qpq n GLY 164 N 3.98 0.33 0.12 3.14 0.00 -0.59 -4.48 105.19 107.70 2qpq n GLY 164 Ca 0.45 -1.92 -0.02 0.00 0.00 0.00 0.00 46.02 44.53 2qpq n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qpq h GLY 166 N 2.07 -0.96 1.42 0.00 0.00 -1.96 -0.21 103.07 103.42 2qpq h GLY 166 Ca -0.01 0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.71 2qpq h GLY 166 CO 0.09 -0.34 0.37 -2.55 0.00 0.00 0.00 176.54 174.10 2qpq h PRO 167 N -0.89 0.78 -0.00 4.80 0.11 -1.78 -1.70 132.00 133.31 2qpq h PRO 167 Ca -0.07 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.98 2qpq h PRO 167 Cb 0.72 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.66 2qpq h PRO 167 CO 0.09 0.53 0.00 0.00 -0.21 0.00 0.00 178.00 178.41 2qpq h ALA 168 N 1.61 0.00 -0.84 -0.75 0.00 -1.44 -2.53 119.26 115.31 2qpq h ALA 168 Ca 0.21 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.14 2qpq h ALA 168 Cb -0.06 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 2qpq h ALA 168 CO -0.04 -0.47 0.53 -0.07 0.00 0.00 0.00 179.25 179.19 2qpq h LEU 169 N -0.05 0.85 -0.83 0.00 3.38 -0.88 -2.08 115.31 115.70 2qpq h LEU 169 Ca 0.00 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.09 2qpq h LEU 169 Cb 0.05 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 40.55 2qpq h LEU 169 CO -0.00 0.56 0.45 0.78 0.09 0.00 0.00 178.44 180.33 2qpq h ASN 170 N 0.99 0.61 0.63 -0.43 2.35 -1.09 0.30 115.58 118.95 2qpq h ASN 170 Ca 0.35 0.07 -0.17 0.00 -0.55 0.00 0.00 56.30 56.00 2qpq h ASN 170 Cb 0.10 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 2qpq h ASN 170 CO -0.15 0.32 -0.77 0.44 -1.65 0.00 0.00 177.43 175.62 2qpq h ASP 171 N 0.72 0.14 -0.02 5.81 5.19 -0.97 -1.64 116.42 125.64 2qpq h ASP 171 Ca 0.42 -0.10 -0.26 0.00 -0.62 0.00 0.00 57.03 56.47 2qpq h ASP 171 Cb 0.48 -0.04 0.02 0.00 0.18 0.00 0.00 39.33 39.97 2qpq h ASP 171 CO -0.29 0.86 -0.99 1.62 -3.12 0.00 0.00 179.24 177.31 2qpq h VAL 172 N 0.07 1.28 -0.86 -1.35 3.04 -1.12 0.34 116.25 117.64 2qpq h VAL 172 Ca -0.02 -2.20 0.14 0.00 -1.01 0.00 0.00 66.70 63.62 2qpq h VAL 172 Cb 1.36 2.30 -0.07 0.00 -2.01 0.00 0.00 31.29 32.88 2qpq h VAL 172 CO 0.11 0.68 0.56 -0.07 -1.01 0.00 0.00 177.57 177.84 2qpq h LEU 173 N 0.42 0.60 -2.04 3.16 3.38 -0.37 -1.86 115.31 118.59 2qpq h LEU 173 Ca -0.12 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2qpq h LEU 173 Cb 1.64 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.31 2qpq h LEU 173 CO 0.20 0.31 0.00 0.61 0.09 0.00 0.00 178.44 179.64 2qpq n GLY 174 N -1.45 1.50 2.56 0.83 0.00 -0.62 -4.93 105.19 103.08 2qpq n GLY 174 Ca 0.17 -0.64 -0.18 0.00 0.00 0.00 0.00 46.02 45.36 2qpq n GLY 174 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2qpq n SER 175 N 1.18 -5.28 0.24 1.61 7.64 -0.70 -4.85 113.62 113.45 2qpq n SER 175 Ca 0.19 0.45 0.13 0.00 1.01 0.00 0.00 58.87 60.65 2qpq n SER 175 Cb 0.51 -4.54 0.45 0.00 -1.01 0.00 0.00 64.21 59.63 2qpq n SER 175 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2qpq h GLN 176 N 0.00 0.00 -4.69 1.43 1.08 -0.64 -3.42 115.11 108.88 2qpq h GLN 176 Ca -0.37 0.00 -0.33 0.00 -1.45 0.00 0.00 58.65 56.50 2qpq h GLN 176 Cb 1.27 0.00 -0.24 0.00 -0.05 0.00 0.00 27.48 28.46 2qpq h GLN 176 CO 0.54 0.12 -0.75 -1.50 -0.95 0.00 0.00 178.83 176.29 2qpq s ILE 177 N -3.51 0.65 -0.97 2.54 2.07 -0.62 -4.99 121.20 116.36 2qpq s ILE 177 Ca 0.02 -0.87 0.28 0.00 -1.41 0.00 0.00 60.65 58.67 2qpq s ILE 177 Cb 0.08 -0.65 0.18 0.00 0.13 0.00 0.00 42.46 42.21 2qpq s ILE 177 CO 0.62 -0.18 1.78 0.61 -1.91 0.00 0.00 174.94 175.85 2qpq n GLY 178 N 1.90 -1.45 3.59 1.50 0.00 -1.26 -4.21 105.19 105.26 2qpq n GLY 178 Ca -0.19 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 2qpq n GLY 178 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qpq s LEU 179 N -3.13 -0.54 0.06 0.99 2.96 -1.26 -4.29 118.68 113.47 2qpq s LEU 179 Ca 0.13 0.82 -0.11 0.00 -0.22 0.00 0.00 54.13 54.74 2qpq s LEU 179 Cb 0.18 2.16 0.01 0.00 0.50 0.00 0.00 46.19 49.04 2qpq s LEU 179 CO 0.58 -0.34 0.24 0.00 -1.32 0.00 0.00 176.35 175.51 2qpq s ALA 180 N -0.48 -0.45 -0.25 5.97 0.00 -0.48 -0.01 121.76 126.06 2qpq s ALA 180 Ca -0.03 -0.29 -0.04 0.00 0.00 0.00 0.00 51.96 51.60 2qpq s ALA 180 Cb -0.02 0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.48 2qpq s ALA 180 CO 0.02 -0.44 -0.00 0.08 0.00 0.00 0.00 175.76 175.41 2qpq s VAL 181 N -3.06 3.51 0.29 0.00 1.01 0.41 -1.00 120.40 121.56 2qpq s VAL 181 Ca -0.01 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.37 2qpq s VAL 181 Cb 0.01 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 2qpq s VAL 181 CO -0.07 0.28 0.17 0.68 0.00 0.00 0.00 175.10 176.16 2qpq s VAL 182 N 1.47 0.25 0.38 2.92 -7.23 -0.92 -3.66 120.40 113.60 2qpq s VAL 182 Ca 0.04 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 57.95 2qpq s VAL 182 Cb -0.16 -2.51 -0.09 0.00 0.56 0.00 0.00 36.38 34.18 2qpq s VAL 182 CO -0.01 0.00 1.20 0.42 -0.31 0.00 0.00 175.10 176.40 2qpq s THR 183 N -3.67 3.05 0.28 5.32 -4.23 -1.26 -0.38 115.64 114.75 2qpq s THR 183 Ca 0.37 0.94 0.02 0.00 -1.18 0.00 0.00 61.69 61.83 2qpq s THR 183 Cb 0.05 -3.55 0.28 0.00 1.34 0.00 0.00 72.50 70.62 2qpq s THR 183 CO 0.18 0.13 1.69 0.00 -0.54 0.00 0.00 174.62 176.08 2qpq h ALA 184 N 2.90 1.31 -0.52 3.99 0.00 -0.96 -2.60 119.26 123.38 2qpq h ALA 184 Ca -0.49 0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.62 2qpq h ALA 184 Cb 1.23 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 2qpq h ALA 184 CO 0.63 -0.35 0.32 0.66 0.00 0.00 0.00 179.25 180.51 2qpq h SER 185 N 0.35 0.52 -0.82 0.00 4.64 -1.81 0.84 113.55 117.27 2qpq h SER 185 Ca 0.53 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.84 2qpq h SER 185 Cb 0.99 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 62.93 2qpq h SER 185 CO -0.54 0.36 0.46 0.77 -0.87 0.00 0.00 176.83 177.02 2qpq h SER 186 N 0.63 1.02 0.66 4.97 4.64 -1.79 -3.32 113.55 120.35 2qpq h SER 186 Ca 0.21 -0.08 -0.26 0.00 -0.47 0.00 0.00 61.79 61.19 2qpq h SER 186 Cb 0.01 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 61.80 2qpq h SER 186 CO -0.09 0.81 -1.48 0.00 -0.87 0.00 0.00 176.83 175.20 2qpq h ALA 187 N 1.36 0.66 -0.48 5.18 0.00 -1.05 -3.40 119.26 121.53 2qpq h ALA 187 Ca 0.29 -1.26 0.08 0.00 0.00 0.00 0.00 54.91 54.02 2qpq h ALA 187 Cb 0.01 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 2qpq h ALA 187 CO -0.05 1.43 0.12 0.82 0.00 0.00 0.00 179.25 181.57 2qpq h ILE 188 N 0.00 0.76 -0.77 0.00 2.04 -0.95 -0.18 117.51 118.41 2qpq h ILE 188 Ca -0.20 -0.09 0.14 0.00 1.00 0.00 0.00 64.86 65.71 2qpq h ILE 188 Cb 1.90 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 38.40 2qpq h ILE 188 CO 0.09 0.05 0.51 -0.65 0.00 0.00 0.00 178.15 178.15 2qpq h PRO 189 N 0.26 0.47 0.04 2.37 0.11 -1.80 -0.70 132.00 132.76 2qpq h PRO 189 Ca 0.24 -0.03 -0.23 0.00 0.11 0.00 0.00 66.00 66.09 2qpq h PRO 189 Cb 0.30 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.30 2qpq h PRO 189 CO -0.29 0.31 -1.01 0.74 -0.21 0.00 0.00 178.00 177.54 2qpq h PHE 190 N 0.49 0.38 -0.16 0.65 0.04 -1.34 -2.35 116.94 114.64 2qpq h PHE 190 Ca 0.38 -0.23 -0.05 0.00 2.80 0.00 0.00 57.97 60.87 2qpq h PHE 190 Cb 0.77 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.89 2qpq h PHE 190 CO -0.00 1.10 -0.07 0.82 -0.60 0.00 0.00 178.31 179.56 2qpq h ILE 191 N 0.11 1.31 -0.80 -0.55 2.04 -0.58 0.52 117.51 119.55 2qpq h ILE 191 Ca -0.07 -1.11 0.03 0.00 1.00 0.00 0.00 64.86 64.71 2qpq h ILE 191 Cb 1.69 1.69 -0.05 0.00 -0.74 0.00 0.00 36.82 39.42 2qpq h ILE 191 CO 0.16 0.33 0.51 0.11 0.00 0.00 0.00 178.15 179.26 2qpq h LYS 192 N 0.02 0.98 0.00 2.37 1.79 -1.18 -1.01 116.57 119.54 2qpq h LYS 192 Ca 0.04 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2qpq h LYS 192 Cb 0.54 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 2qpq h LYS 192 CO 0.02 0.65 0.00 0.00 -1.08 0.00 0.00 179.45 179.04 2qpq n ALA 193 N -2.33 1.41 -1.42 3.86 0.00 -0.89 -4.88 120.51 116.26 2qpq n ALA 193 Ca 0.09 -0.02 -0.12 0.00 0.00 0.00 0.00 53.44 53.39 2qpq n ALA 193 Cb 0.07 -1.16 -0.05 0.00 0.00 0.00 0.00 19.45 18.32 2qpq n ALA 193 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qpq n GLY 194 N -0.57 1.22 0.15 0.00 0.00 -0.38 -4.90 105.19 100.70 2qpq n GLY 194 Ca 0.02 -0.45 0.05 0.00 0.00 0.00 0.00 46.02 45.65 2qpq n GLY 194 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qpq h LYS 195 N 0.00 0.00 -5.27 1.61 1.57 -1.13 -3.43 116.57 109.92 2qpq h LYS 195 Ca -0.26 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.15 2qpq h LYS 195 Cb 0.84 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.99 2qpq h LYS 195 CO 0.37 0.29 -0.73 -0.51 -0.57 0.00 0.00 179.45 178.29 2qpq s LEU 196 N -6.14 2.48 -0.05 2.94 1.43 -1.05 -1.86 118.68 116.42 2qpq s LEU 196 Ca 0.03 -0.93 0.05 0.00 -1.03 0.00 0.00 54.13 52.25 2qpq s LEU 196 Cb 0.07 -0.47 -0.02 0.00 0.03 0.00 0.00 46.19 45.80 2qpq s LEU 196 CO 0.75 -0.23 -0.20 -1.58 0.23 0.00 0.00 176.35 175.31 2qpq s GLN 197 N -3.29 2.51 -0.25 1.70 0.74 0.05 -4.29 119.66 116.83 2qpq s GLN 197 Ca 0.14 -0.82 -0.11 0.00 0.05 0.00 0.00 55.36 54.62 2qpq s GLN 197 Cb -0.01 -2.25 -0.05 0.00 1.10 0.00 0.00 33.01 31.80 2qpq s GLN 197 CO 0.02 0.49 0.20 0.00 -0.55 0.00 0.00 175.29 175.46 2qpq s ALA 198 N -0.41 3.59 0.01 1.58 0.00 -1.26 -0.67 121.76 124.60 2qpq s ALA 198 Ca 0.04 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 51.10 2qpq s ALA 198 Cb -0.12 -2.41 -0.27 0.00 0.00 0.00 0.00 23.12 20.32 2qpq s ALA 198 CO 0.02 -0.30 0.88 -0.07 0.00 0.00 0.00 175.76 176.29 2qpq h LEU 199 N 7.75 0.35 -7.00 0.00 3.38 -0.68 -3.47 115.31 115.64 2qpq h LEU 199 Ca -0.37 -0.48 0.05 0.00 0.09 0.00 0.00 57.88 57.17 2qpq h LEU 199 Cb 1.17 -0.11 -0.16 0.00 0.09 0.00 0.00 40.66 41.65 2qpq h LEU 199 CO 0.64 1.40 0.39 0.00 0.09 0.00 0.00 178.44 180.96 2qpq s ALA 200 N -2.62 -1.78 0.09 1.53 0.00 -1.24 -4.02 121.76 113.72 2qpq s ALA 200 Ca -0.08 1.02 0.04 0.00 0.00 0.00 0.00 51.96 52.94 2qpq s ALA 200 Cb 0.07 0.29 -0.04 0.00 0.00 0.00 0.00 23.12 23.44 2qpq s ALA 200 CO 0.85 -0.60 0.01 0.14 0.00 0.00 0.00 175.76 176.16 2qpq s VAL 201 N -2.68 4.11 -1.98 0.00 -7.23 -0.38 -1.24 120.40 111.00 2qpq s VAL 201 Ca 0.01 -0.95 0.27 0.00 -1.81 0.00 0.00 61.98 59.49 2qpq s VAL 201 Cb -0.01 -2.96 0.33 0.00 0.56 0.00 0.00 36.38 34.30 2qpq s VAL 201 CO -0.06 0.12 1.58 0.35 -0.31 0.00 0.00 175.10 176.79 2qpq n THR 202 N 0.55 0.00 -1.55 5.32 -2.24 -0.37 -0.99 114.28 114.99 2qpq n THR 202 Ca -0.10 -0.17 -0.29 0.00 -2.27 0.00 0.00 64.05 61.21 2qpq n THR 202 Cb 0.52 0.49 0.13 0.00 -2.10 0.00 0.00 70.33 69.36 2qpq n THR 202 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2qpq s SER 203 N -2.36 3.69 0.24 3.42 1.04 -1.26 0.02 113.70 118.47 2qpq s SER 203 Ca 0.28 1.01 -0.00 0.00 0.48 0.00 0.00 55.95 57.71 2qpq s SER 203 Cb 0.20 -1.61 0.26 0.00 0.10 0.00 0.00 66.02 64.97 2qpq s SER 203 CO 0.47 -2.45 1.62 0.50 0.98 0.00 0.00 173.24 174.36 2qpq h LYS 204 N -1.42 0.53 -5.81 4.02 3.64 -1.91 -3.42 116.57 112.20 2qpq h LYS 204 Ca -0.50 -0.26 -0.50 0.00 -1.27 0.00 0.00 60.65 58.13 2qpq h LYS 204 Cb 1.32 -0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 32.97 2qpq h LYS 204 CO 0.62 0.83 -0.77 -1.21 -2.27 0.00 0.00 179.45 176.65 2qpq s GLU 205 N -4.28 1.26 0.58 1.90 0.41 -1.26 -4.95 118.70 112.36 2qpq s GLU 205 Ca -0.07 -1.43 -0.19 0.00 -0.41 0.00 0.00 54.97 52.88 2qpq s GLU 205 Cb 0.13 -1.25 -0.06 0.00 -1.78 0.00 0.00 34.13 31.17 2qpq s GLU 205 CO 0.82 0.24 0.88 0.54 -0.49 0.00 0.00 175.26 177.25 2qpq n ARG 206 N 0.19 0.84 -2.58 1.61 5.12 -1.26 -4.95 116.66 115.63 2qpq n ARG 206 Ca -0.12 0.33 -0.22 0.00 -1.93 0.00 0.00 57.85 55.90 2qpq n ARG 206 Cb 0.58 -2.07 0.02 0.00 -1.16 0.00 0.00 32.46 29.83 2qpq n ARG 206 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2qpq n SER 207 N -0.44 -3.15 0.00 0.55 2.88 -1.26 -5.04 113.62 107.15 2qpq n SER 207 Ca 0.13 -0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 2qpq n SER 207 Cb 0.47 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 63.00 2qpq n SER 207 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qpq n ALA 208 N -0.32 0.00 1.30 -1.46 0.00 -1.26 -1.36 120.51 117.41 2qpq n ALA 208 Ca -0.07 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.50 2qpq n ALA 208 Cb 0.41 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.28 2qpq n ALA 208 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qpq n LEU 209 N 0.00 1.05 -3.15 0.00 4.77 -1.26 -4.26 117.00 114.15 2qpq n LEU 209 Ca 0.00 -0.28 -0.22 0.00 -0.03 0.00 0.00 56.01 55.48 2qpq n LEU 209 Cb 0.00 -0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 40.94 2qpq n LEU 209 CO 0.00 0.19 -0.12 0.18 -1.33 0.00 0.00 177.39 176.31 2qpq n LEU 210 N -0.55 1.92 0.26 2.23 4.77 -0.47 -4.95 117.00 120.21 2qpq n LEU 210 Ca 0.13 -5.16 0.14 0.00 -0.03 0.00 0.00 56.01 51.08 2qpq n LEU 210 Cb 0.34 0.25 0.66 0.00 -2.33 0.00 0.00 43.42 42.34 2qpq n LEU 210 CO 0.24 2.25 0.93 1.55 -1.33 0.00 0.00 177.39 181.03 2qpq h PRO 211 N 3.29 0.00 -0.01 3.23 0.13 -1.46 -1.26 132.00 135.93 2qpq h PRO 211 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2qpq h PRO 211 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 2qpq h PRO 211 CO 0.61 0.12 -0.04 0.39 -0.23 0.00 0.00 178.00 178.85 2qpq n GLU 212 N -3.39 1.29 -3.49 0.86 4.71 -1.26 -4.79 120.64 114.57 2qpq n GLU 212 Ca -0.01 -0.60 -0.39 0.00 -0.01 0.00 0.00 57.16 56.15 2qpq n GLU 212 Cb 0.31 -1.49 -0.10 0.00 -1.01 0.00 0.00 31.44 29.15 2qpq n GLU 212 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2qpq s VAL 213 N -2.12 5.25 0.73 2.62 0.11 -0.48 -5.08 120.40 121.43 2qpq s VAL 213 Ca 0.37 0.14 -0.13 0.00 -2.93 0.00 0.00 61.98 59.43 2qpq s VAL 213 Cb 0.21 -3.67 0.04 0.00 -1.53 0.00 0.00 36.38 31.42 2qpq s VAL 213 CO 0.38 0.10 1.11 -2.16 -3.33 0.00 0.00 175.10 171.20 2qpq s PRO 214 N 1.87 2.42 0.78 1.54 0.04 -1.26 -4.66 135.00 135.74 2qpq s PRO 214 Ca 0.09 1.31 -0.11 0.00 0.04 0.00 0.00 61.00 62.34 2qpq s PRO 214 Cb -0.16 -1.91 0.06 0.00 0.04 0.00 0.00 34.50 32.53 2qpq s PRO 214 CO 0.11 -1.53 1.08 0.95 0.04 0.00 0.00 177.00 177.65 2qpq s THR 215 N -2.60 3.30 0.18 1.26 -4.23 -1.26 -1.24 115.64 111.05 2qpq s THR 215 Ca 0.65 0.42 -0.13 0.00 -1.18 0.00 0.00 61.69 61.44 2qpq s THR 215 Cb -0.19 -3.08 0.08 0.00 1.34 0.00 0.00 72.50 70.64 2qpq s THR 215 CO 0.49 -0.55 1.84 0.58 -0.54 0.00 0.00 174.62 176.44 2qpq h VAL 216 N -1.07 1.12 -0.64 2.29 2.07 -1.32 -3.14 116.25 115.56 2qpq h VAL 216 Ca -0.46 -0.25 0.08 0.00 0.82 0.00 0.00 66.70 66.89 2qpq h VAL 216 Cb 1.25 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 2qpq h VAL 216 CO 0.56 0.13 0.31 0.00 0.02 0.00 0.00 177.57 178.60 2qpq h ALA 217 N 1.21 0.85 0.00 1.67 0.00 -1.75 -0.89 119.26 120.36 2qpq h ALA 217 Ca 0.21 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2qpq h ALA 217 Cb -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2qpq h ALA 217 CO -0.06 -0.07 0.00 -0.85 0.00 0.00 0.00 179.25 178.27 2qpq n GLU 218 N -4.88 0.75 -1.54 0.00 0.28 -1.19 -2.17 120.64 111.88 2qpq n GLU 218 Ca 0.09 0.00 -0.16 0.00 -0.16 0.00 0.00 57.16 56.93 2qpq n GLU 218 Cb 0.23 -1.17 0.08 0.00 1.43 0.00 0.00 31.44 32.01 2qpq n GLU 218 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2qpq n GLN 219 N -0.67 2.93 -3.61 3.44 6.02 -0.35 -4.90 117.38 120.24 2qpq n GLN 219 Ca 0.06 -3.84 -0.39 0.00 -0.01 0.00 0.00 57.00 52.82 2qpq n GLN 219 Cb 0.03 -2.08 -0.11 0.00 1.02 0.00 0.00 30.24 29.09 2qpq n GLN 219 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2qpq s GLY 220 N -3.33 1.90 -0.67 1.08 0.00 -1.26 -4.69 107.32 100.35 2qpq s GLY 220 Ca 0.48 -1.39 0.05 0.00 0.00 0.00 0.00 44.72 43.86 2qpq s GLY 220 CO 0.01 0.73 0.46 0.14 0.00 0.00 0.00 173.10 174.43 2qpq s VAL 221 N 1.65 2.82 0.38 1.40 1.01 -0.92 -5.02 120.40 121.72 2qpq s VAL 221 Ca 0.05 -4.12 -0.27 0.00 0.00 0.00 0.00 61.98 57.63 2qpq s VAL 221 Cb -0.17 -2.87 -0.11 0.00 0.00 0.00 0.00 36.38 33.23 2qpq s VAL 221 CO 0.08 -0.98 1.39 0.00 0.00 0.00 0.00 175.10 175.59 2qpq n ALA 222 N 2.14 1.88 -0.26 5.51 0.00 -1.26 -2.33 120.51 126.19 2qpq n ALA 222 Ca 0.18 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.94 2qpq n ALA 222 Cb 0.35 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.45 2qpq n ALA 222 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qpq n GLY 223 N 0.61 2.11 3.68 0.00 0.00 -1.26 -5.00 105.19 105.32 2qpq n GLY 223 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2qpq n GLY 223 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2qpq s TYR 224 N -3.14 2.75 -0.12 1.61 6.14 -0.98 -5.01 117.35 118.60 2qpq s TYR 224 Ca 0.00 0.78 -0.21 0.00 0.64 0.00 0.00 57.07 58.28 2qpq s TYR 224 Cb 0.00 -3.67 0.05 0.00 0.42 0.00 0.00 41.96 38.76 2qpq s TYR 224 CO 0.00 -2.49 0.52 -1.83 0.64 0.00 0.00 175.55 172.39 2qpq s GLU 225 N 2.76 0.75 -0.48 4.97 -1.05 -1.26 -4.28 118.70 120.10 2qpq s GLU 225 Ca 0.64 0.40 0.06 0.00 -0.15 0.00 0.00 54.97 55.92 2qpq s GLU 225 Cb -0.30 0.35 0.18 0.00 -0.44 0.00 0.00 34.13 33.93 2qpq s GLU 225 CO 0.25 -0.17 0.61 -0.11 0.95 0.00 0.00 175.26 176.79 2qpq n LEU 226 N 1.95 -2.49 -4.68 1.83 7.94 0.10 -5.01 117.00 116.64 2qpq n LEU 226 Ca -0.17 -3.40 -0.38 0.00 -1.11 0.00 0.00 56.01 50.95 2qpq n LEU 226 Cb 0.56 0.69 -0.07 0.00 0.53 0.00 0.00 43.42 45.14 2qpq n LEU 226 CO 0.16 1.92 0.16 0.21 -1.11 0.00 0.00 177.39 178.73 2qpq s ASN 227 N 0.58 6.55 -0.14 1.96 3.84 -1.26 -4.32 114.94 122.13 2qpq s ASN 227 Ca 0.31 0.65 -0.26 0.00 0.21 0.00 0.00 52.86 53.77 2qpq s ASN 227 Cb 0.02 -2.27 -0.02 0.00 -0.55 0.00 0.00 41.25 38.43 2qpq s ASN 227 CO -0.10 -0.09 0.84 -1.58 -2.79 0.00 0.00 177.10 173.39 2qpq s GLN 228 N 1.21 4.34 0.42 0.43 0.74 -0.99 -4.90 119.66 120.91 2qpq s GLN 228 Ca 0.23 1.06 0.02 0.00 0.05 0.00 0.00 55.36 56.72 2qpq s GLN 228 Cb -0.15 -3.55 -0.00 0.00 1.10 0.00 0.00 33.01 30.41 2qpq s GLN 228 CO 0.09 -0.27 0.61 1.67 -0.55 0.00 0.00 175.29 176.83 2qpq s TRP 229 N 1.94 3.17 -0.13 1.67 1.48 -1.26 -0.78 118.94 125.03 2qpq s TRP 229 Ca 0.40 0.07 -0.05 0.00 -1.06 0.00 0.00 56.10 55.46 2qpq s TRP 229 Cb -0.17 -2.23 0.06 0.00 -1.16 0.00 0.00 33.47 29.98 2qpq s TRP 229 CO 0.14 -0.26 0.27 -1.01 -4.06 0.00 0.00 176.95 172.02 2qpq s HIS 230 N -2.43 -0.42 0.02 1.66 3.76 -0.66 -1.93 115.29 115.28 2qpq s HIS 230 Ca 0.48 0.96 -0.01 0.00 -0.15 0.00 0.00 55.06 56.34 2qpq s HIS 230 Cb -0.10 -0.01 0.00 0.00 1.11 0.00 0.00 32.58 33.59 2qpq s HIS 230 CO 0.36 -0.34 0.05 0.41 -0.85 0.00 0.00 174.74 174.37 2qpq n GLY 231 N 5.13 1.72 3.23 -2.22 0.00 -0.05 -0.83 105.19 112.17 2qpq n GLY 231 Ca -0.10 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.63 2qpq n GLY 231 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qpq s LEU 232 N 0.00 2.03 0.35 0.99 1.43 -0.31 -0.03 118.68 123.13 2qpq s LEU 232 Ca 0.01 -0.47 0.09 0.00 -1.03 0.00 0.00 54.13 52.73 2qpq s LEU 232 Cb -0.00 -1.27 -0.06 0.00 0.03 0.00 0.00 46.19 44.89 2qpq s LEU 232 CO 0.01 0.22 -0.02 -0.76 0.23 0.00 0.00 176.35 176.03 2qpq s LEU 233 N -0.11 2.90 0.28 1.79 1.43 -0.21 -0.98 118.68 123.78 2qpq s LEU 233 Ca -0.04 -1.08 0.02 0.00 -1.03 0.00 0.00 54.13 52.01 2qpq s LEU 233 Cb -0.13 -1.22 -0.05 0.00 0.03 0.00 0.00 46.19 44.82 2qpq s LEU 233 CO 0.03 -0.25 0.11 0.68 0.23 0.00 0.00 176.35 177.15 2qpq s VAL 234 N -2.56 0.59 0.43 -1.59 -7.23 0.38 -0.60 120.40 109.82 2qpq s VAL 234 Ca 0.34 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 58.26 2qpq s VAL 234 Cb 0.01 -2.62 -0.10 0.00 0.56 0.00 0.00 36.38 34.24 2qpq s VAL 234 CO 0.18 0.00 1.20 -2.65 -0.31 0.00 0.00 175.10 173.52 2qpq n PRO 235 N -0.53 1.73 -0.36 4.82 -0.02 -1.26 -0.87 135.00 138.50 2qpq n PRO 235 Ca -0.00 0.62 0.30 0.00 -2.02 0.00 0.00 63.50 62.39 2qpq n PRO 235 Cb 0.66 -2.29 0.61 0.00 -0.02 0.00 0.00 33.50 32.46 2qpq n PRO 235 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2qpq h GLY 236 N 1.86 0.89 -0.17 -1.23 0.00 -1.46 -1.07 103.07 101.88 2qpq h GLY 236 Ca -0.47 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 46.73 2qpq h GLY 236 CO 0.59 -0.16 0.00 0.00 0.00 0.00 0.00 176.54 176.97 2qpq n ALA 237 N -2.57 2.58 -1.89 3.60 0.00 -1.26 -4.59 120.51 116.36 2qpq n ALA 237 Ca 0.29 -0.37 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 2qpq n ALA 237 Cb 1.13 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 19.34 2qpq n ALA 237 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2qpq s THR 238 N -1.92 3.20 0.67 0.00 2.01 -0.41 -4.91 115.64 114.29 2qpq s THR 238 Ca 0.35 0.45 -0.17 0.00 0.31 0.00 0.00 61.69 62.63 2qpq s THR 238 Cb 0.18 -3.29 -0.01 0.00 0.01 0.00 0.00 72.50 69.39 2qpq s THR 238 CO 0.28 -0.02 1.13 -2.65 -0.69 0.00 0.00 174.62 172.67 2qpq n PRO 239 N 6.51 0.83 -0.24 4.92 -0.02 -1.26 -4.74 135.00 141.00 2qpq n PRO 239 Ca 0.17 0.34 0.07 0.00 -2.02 0.00 0.00 63.50 62.06 2qpq n PRO 239 Cb 0.41 -2.36 0.33 0.00 -0.02 0.00 0.00 33.50 31.86 2qpq n PRO 239 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 2qpq h MET 240 N 0.19 0.79 -0.88 -0.52 4.05 -1.99 -1.56 114.93 115.02 2qpq h MET 240 Ca -0.49 -0.05 0.03 0.00 -0.28 0.00 0.00 59.70 58.91 2qpq h MET 240 Cb 1.34 -0.18 -0.05 0.00 -0.80 0.00 0.00 31.60 31.92 2qpq h MET 240 CO 0.50 0.52 0.58 0.00 0.23 0.00 0.00 176.91 178.74 2qpq h ALA 241 N 1.58 1.43 -0.11 0.39 0.00 -1.99 0.16 119.26 120.72 2qpq h ALA 241 Ca 0.37 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 2qpq h ALA 241 Cb 0.36 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2qpq h ALA 241 CO -0.14 0.49 -0.03 0.28 0.00 0.00 0.00 179.25 179.85 2qpq h VAL 242 N 1.12 1.29 -0.99 0.00 2.07 -1.71 -1.33 116.25 116.70 2qpq h VAL 242 Ca 0.34 -0.97 0.11 0.00 0.82 0.00 0.00 66.70 67.00 2qpq h VAL 242 Cb -0.02 1.72 -0.08 0.00 -1.52 0.00 0.00 31.29 31.39 2qpq h VAL 242 CO -0.10 0.28 0.63 0.03 0.02 0.00 0.00 177.57 178.43 2qpq h ARG 243 N -0.11 0.97 -0.19 1.57 3.08 -0.69 -0.96 114.38 118.05 2qpq h ARG 243 Ca 0.03 -0.06 -0.18 0.00 0.07 0.00 0.00 59.98 59.84 2qpq h ARG 243 Cb 0.45 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 2qpq h ARG 243 CO 0.01 0.64 -0.60 1.96 -1.07 0.00 0.00 179.97 180.92 2qpq h GLN 244 N 1.00 0.63 -0.34 0.04 4.20 -0.66 0.17 115.11 120.15 2qpq h GLN 244 Ca 0.47 -0.42 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 2qpq h GLN 244 Cb 0.43 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 2qpq h GLN 244 CO -0.23 1.04 0.17 0.87 -0.67 0.00 0.00 178.83 180.00 2qpq h LYS 245 N 0.47 0.48 -0.04 1.46 1.57 -0.69 0.14 116.57 119.97 2qpq h LYS 245 Ca -0.00 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2qpq h LYS 245 Cb 1.17 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 2qpq h LYS 245 CO 0.12 0.44 0.02 -0.07 -0.57 0.00 0.00 179.45 179.38 2qpq h LEU 246 N 0.41 0.05 -0.57 2.94 3.38 -1.13 -2.62 115.31 117.76 2qpq h LEU 246 Ca 0.12 -0.10 0.12 0.00 0.09 0.00 0.00 57.88 58.10 2qpq h LEU 246 Cb 0.11 -0.01 -0.11 0.00 0.09 0.00 0.00 40.66 40.74 2qpq h LEU 246 CO -0.02 0.14 -0.12 0.22 0.09 0.00 0.00 178.44 178.75 2qpq h TYR 247 N -0.05 -0.27 -0.42 1.13 3.20 -0.49 -0.95 116.97 119.12 2qpq h TYR 247 Ca 0.01 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 2qpq h TYR 247 Cb 0.10 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 2qpq h TYR 247 CO -0.04 -0.23 0.22 -0.44 -1.64 0.00 0.00 178.16 176.02 2qpq h ASP 248 N 0.02 0.54 -0.25 -2.11 3.32 -0.57 0.49 116.42 117.86 2qpq h ASP 248 Ca 0.28 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 2qpq h ASP 248 Cb 0.43 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 2qpq h ASP 248 CO -0.58 0.50 0.07 1.23 -1.72 0.00 0.00 179.24 178.74 2qpq h GLY 249 N 0.55 0.42 1.31 2.75 0.00 -1.10 -1.76 103.07 105.25 2qpq h GLY 249 Ca 0.15 -0.26 -0.14 0.00 0.00 0.00 0.00 47.33 47.08 2qpq h GLY 249 CO -0.02 0.24 -0.36 -2.22 0.00 0.00 0.00 176.54 174.18 2qpq h ILE 250 N 0.23 1.28 -0.51 2.60 2.04 -0.93 -2.60 117.51 119.61 2qpq h ILE 250 Ca 0.08 -1.52 -0.05 0.00 1.00 0.00 0.00 64.86 64.36 2qpq h ILE 250 Cb 0.26 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 2qpq h ILE 250 CO -0.00 0.50 0.10 0.00 0.00 0.00 0.00 178.15 178.75 2qpq h ALA 251 N 0.96 1.21 -0.69 1.87 0.00 -0.76 -0.98 119.26 120.87 2qpq h ALA 251 Ca 0.06 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2qpq h ALA 251 Cb 0.90 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2qpq h ALA 251 CO 0.08 0.54 0.41 0.87 0.00 0.00 0.00 179.25 181.15 2qpq h LYS 252 N 0.77 0.93 -0.21 0.00 1.57 -1.08 -0.50 116.57 118.04 2qpq h LYS 252 Ca 0.17 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2qpq h LYS 252 Cb 0.32 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 2qpq h LYS 252 CO 0.00 0.66 0.06 0.28 -0.57 0.00 0.00 179.45 179.89 2qpq h VAL 253 N 0.94 0.94 0.00 0.50 2.07 -1.04 -2.94 116.25 116.72 2qpq h VAL 253 Ca 0.25 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.67 2qpq h VAL 253 Cb -0.03 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 2qpq h VAL 253 CO -0.05 0.03 -0.20 0.24 0.02 0.00 0.00 177.57 177.62 2qpq h MET 254 N 0.16 0.00 0.00 1.57 2.86 -0.79 -2.27 114.93 116.46 2qpq h MET 254 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2qpq h MET 254 Cb 0.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.73 2qpq h MET 254 CO -0.10 0.20 0.00 1.04 1.06 0.00 0.00 176.91 179.10 2qpq n GLN 255 N -4.27 0.18 -1.70 1.72 6.02 -0.23 -4.27 117.38 114.83 2qpq n GLN 255 Ca -0.02 0.38 -0.43 0.00 -0.01 0.00 0.00 57.00 56.91 2qpq n GLN 255 Cb 0.26 -1.83 -0.02 0.00 1.02 0.00 0.00 30.24 29.67 2qpq n GLN 255 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2qpq n ARG 256 N -2.17 2.27 -0.20 -1.09 1.74 -0.86 -4.88 116.66 111.47 2qpq n ARG 256 Ca 0.03 0.80 -0.01 0.00 -0.77 0.00 0.00 57.85 57.90 2qpq n ARG 256 Cb 0.25 -2.49 0.09 0.00 -1.02 0.00 0.00 32.46 29.29 2qpq n ARG 256 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 2qpq h ASP 257 N 4.12 0.35 -0.50 0.55 3.32 -1.91 -1.44 116.42 120.91 2qpq h ASP 257 Ca -0.46 0.05 -0.08 0.00 0.02 0.00 0.00 57.03 56.57 2qpq h ASP 257 Cb 1.26 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.79 2qpq h ASP 257 CO 0.75 0.22 0.03 -2.24 -1.72 0.00 0.00 179.24 176.28 2qpq h ASP 258 N 0.50 0.89 -0.31 6.45 2.03 -1.96 -1.73 116.42 122.29 2qpq h ASP 258 Ca 0.29 -0.22 -0.03 0.00 -0.73 0.00 0.00 57.03 56.34 2qpq h ASP 258 Cb 0.27 -0.24 -0.01 0.00 -0.83 0.00 0.00 39.33 38.53 2qpq h ASP 258 CO -0.24 0.93 0.07 0.58 -1.03 0.00 0.00 179.24 179.56 2qpq h VAL 259 N 0.86 1.22 -0.68 4.15 2.07 -1.81 -2.36 116.25 119.69 2qpq h VAL 259 Ca 0.17 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 2qpq h VAL 259 Cb 0.47 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 2qpq h VAL 259 CO 0.02 0.24 0.40 1.56 0.02 0.00 0.00 177.57 179.82 2qpq h GLN 260 N 0.34 0.93 0.01 1.57 1.08 -0.97 -2.24 115.11 115.83 2qpq h GLN 260 Ca 0.10 -0.09 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2qpq h GLN 260 Cb 0.30 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 2qpq h GLN 260 CO 0.00 0.67 -0.00 -0.22 -0.95 0.00 0.00 178.83 178.33 2qpq h LYS 261 N 0.93 -0.01 -0.38 1.46 3.64 -1.27 -0.96 116.57 119.98 2qpq h LYS 261 Ca 0.24 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.71 2qpq h LYS 261 Cb -0.01 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 31.73 2qpq h LYS 261 CO -0.04 0.24 -0.17 -0.22 -2.27 0.00 0.00 179.45 176.99 2qpq h LYS 262 N -0.26 -0.09 -0.28 1.90 3.64 -1.34 0.53 116.57 120.66 2qpq h LYS 262 Ca -0.00 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 2qpq h LYS 262 Cb 0.26 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 2qpq h LYS 262 CO 0.00 -0.06 0.03 -0.07 -2.27 0.00 0.00 179.45 177.08 2qpq h LEU 263 N -0.10 0.46 -0.86 5.20 4.07 -1.32 -2.71 115.31 120.06 2qpq h LEU 263 Ca 0.19 -0.27 -0.00 0.00 0.08 0.00 0.00 57.88 57.87 2qpq h LEU 263 Cb 0.39 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 41.96 2qpq h LEU 263 CO -0.44 0.62 0.52 0.00 -1.08 0.00 0.00 178.44 178.05 2qpq h ALA 264 N 0.86 1.09 -0.30 1.53 0.00 -0.79 -1.42 119.26 120.23 2qpq h ALA 264 Ca 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2qpq h ALA 264 Cb 0.36 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2qpq h ALA 264 CO 0.01 0.55 0.14 -0.44 0.00 0.00 0.00 179.25 179.51 2qpq h ASP 265 N 1.17 0.36 1.53 0.00 3.32 -0.80 -1.49 116.42 120.51 2qpq h ASP 265 Ca 0.31 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.33 2qpq h ASP 265 Cb -0.05 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.40 2qpq h ASP 265 CO -0.06 0.31 0.00 -0.07 -1.72 0.00 0.00 179.24 177.70 2qpq h LEU 266 N 0.41 0.00 0.00 1.55 3.38 -1.00 -3.48 115.31 116.18 2qpq h LEU 266 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2qpq h LEU 266 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2qpq h LEU 266 CO -0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.12 2qpq n GLY 267 N 1.20 0.88 3.76 0.83 0.00 -0.56 -4.06 105.19 107.24 2qpq n GLY 267 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 2qpq n GLY 267 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qpq s TYR 268 N -2.03 3.72 -0.32 1.61 2.02 -0.62 -4.67 117.35 117.05 2qpq s TYR 268 Ca 0.00 1.80 -0.12 0.00 -0.37 0.00 0.00 57.07 58.37 2qpq s TYR 268 Cb 0.00 -3.07 -0.03 0.00 -0.40 0.00 0.00 41.96 38.46 2qpq s TYR 268 CO 0.00 -0.01 0.22 0.45 -1.57 0.00 0.00 175.55 174.64 2qpq s SER 269 N -1.24 6.00 0.54 2.29 0.15 -0.07 -3.96 113.70 117.42 2qpq s SER 269 Ca 0.46 -0.32 -0.19 0.00 0.70 0.00 0.00 55.95 56.60 2qpq s SER 269 Cb -0.26 -2.12 -0.06 0.00 -1.71 0.00 0.00 66.02 61.88 2qpq s SER 269 CO 0.32 -0.18 1.12 0.42 1.20 0.00 0.00 173.24 176.12 2qpq s THR 270 N 1.72 3.24 0.16 6.45 -4.23 -1.26 -0.19 115.64 121.54 2qpq s THR 270 Ca 0.06 0.76 -0.05 0.00 -1.18 0.00 0.00 61.69 61.28 2qpq s THR 270 Cb -0.17 -3.30 -0.03 0.00 1.34 0.00 0.00 72.50 70.35 2qpq s THR 270 CO 0.10 -0.18 0.18 0.00 -0.54 0.00 0.00 174.62 174.18 2qpq s ALA 271 N -1.83 0.53 -0.34 3.99 0.00 -0.35 -4.77 121.76 118.98 2qpq s ALA 271 Ca 0.72 -1.26 0.14 0.00 0.00 0.00 0.00 51.96 51.55 2qpq s ALA 271 Cb -0.23 0.97 0.42 0.00 0.00 0.00 0.00 23.12 24.28 2qpq s ALA 271 CO 0.27 -0.59 1.41 -1.13 0.00 0.00 0.00 175.76 175.72 2qpq n SER 272 N -0.19 -1.01 -4.74 0.00 3.41 -0.93 -4.23 113.62 105.92 2qpq n SER 272 Ca -0.05 -2.29 -0.41 0.00 -0.26 0.00 0.00 58.87 55.86 2qpq n SER 272 Cb 0.64 0.55 -0.03 0.00 -0.26 0.00 0.00 64.21 65.11 2qpq n SER 272 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2qpq s ASP 273 N -1.62 6.77 0.68 4.04 1.01 -0.90 -4.83 116.67 121.82 2qpq s ASP 273 Ca 0.16 2.55 -0.02 0.00 0.71 0.00 0.00 52.55 55.95 2qpq s ASP 273 Cb 0.42 -2.62 0.06 0.00 1.01 0.00 0.00 42.92 41.79 2qpq s ASP 273 CO -0.10 -0.61 0.41 0.61 0.21 0.00 0.00 175.17 175.69 2qpq n GLY 274 N 2.14 0.06 0.34 0.21 0.00 -1.26 -1.18 105.19 105.49 2qpq n GLY 274 Ca 0.06 -1.88 -0.06 0.00 0.00 0.00 0.00 46.02 44.13 2qpq n GLY 274 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2qpq h PRO 275 N 0.00 -0.20 0.01 1.61 0.11 -1.65 0.22 132.00 132.11 2qpq h PRO 275 Ca -0.13 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.99 2qpq h PRO 275 Cb 0.45 0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.60 2qpq h PRO 275 CO 0.12 -0.13 -0.01 1.49 -0.21 0.00 0.00 178.00 179.27 2qpq h GLU 276 N -0.20 -0.02 -0.39 1.05 4.81 -1.90 -0.75 114.58 117.19 2qpq h GLU 276 Ca 0.20 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.40 2qpq h GLU 276 Cb 0.54 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 2qpq h GLU 276 CO -0.61 0.26 0.12 0.28 -0.73 0.00 0.00 179.01 178.34 2qpq h VAL 277 N -0.30 1.21 -0.41 0.32 2.07 -1.86 -1.53 116.25 115.76 2qpq h VAL 277 Ca -0.00 -0.70 -0.11 0.00 0.82 0.00 0.00 66.70 66.71 2qpq h VAL 277 Cb 0.29 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2qpq h VAL 277 CO 0.00 0.25 -0.16 0.15 0.02 0.00 0.00 177.57 177.83 2qpq h PHE 278 N 0.48 0.95 -0.62 1.57 3.57 -0.56 -0.61 116.94 121.72 2qpq h PHE 278 Ca 0.12 -0.22 0.07 0.00 3.53 0.00 0.00 57.97 61.47 2qpq h PHE 278 Cb 0.26 -0.22 -0.06 0.00 2.79 0.00 0.00 35.95 38.72 2qpq h PHE 278 CO 0.01 0.98 0.31 0.37 -2.23 0.00 0.00 178.31 177.75 2qpq h GLN 279 N 0.64 0.55 -0.68 1.11 5.75 -1.01 0.49 115.11 121.97 2qpq h GLN 279 Ca 0.10 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.56 2qpq h GLN 279 Cb 0.71 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 29.10 2qpq h GLN 279 CO 0.05 0.36 0.42 -0.22 -2.65 0.00 0.00 178.83 176.80 2qpq h LYS 280 N 0.57 0.91 -0.54 1.69 1.63 -0.85 -1.92 116.57 118.06 2qpq h LYS 280 Ca 0.29 -0.07 -0.00 0.00 -0.85 0.00 0.00 60.65 60.01 2qpq h LYS 280 Cb 0.24 -0.20 -0.03 0.00 -0.60 0.00 0.00 32.23 31.65 2qpq h LYS 280 CO -0.22 0.64 0.32 0.52 -3.45 0.00 0.00 179.45 177.26 2qpq h MET 281 N 0.92 0.73 -0.10 1.90 2.86 -0.26 0.27 114.93 121.26 2qpq h MET 281 Ca 0.25 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.84 2qpq h MET 281 Cb -0.05 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.43 2qpq h MET 281 CO -0.05 0.54 -0.03 0.28 1.06 0.00 0.00 176.91 178.71 2qpq h VAL 282 N 0.72 0.89 -0.43 -2.22 2.07 -0.72 -0.48 116.25 116.10 2qpq h VAL 282 Ca 0.19 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.60 2qpq h VAL 282 Cb -0.01 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 2qpq h VAL 282 CO -0.04 0.00 -0.19 -0.33 0.02 0.00 0.00 177.57 177.03 2qpq h GLU 283 N -0.01 0.88 -0.87 1.57 5.08 -1.10 -0.87 114.58 119.27 2qpq h GLU 283 Ca 0.05 -0.38 -0.00 0.00 -1.00 0.00 0.00 59.36 58.02 2qpq h GLU 283 Cb 0.08 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 2qpq h GLU 283 CO -0.10 1.03 0.53 1.15 -1.00 0.00 0.00 179.01 180.62 2qpq h THR 284 N 0.71 1.24 -0.00 1.13 2.02 -0.84 -2.12 112.91 115.04 2qpq h THR 284 Ca 0.10 -0.51 -0.20 0.00 0.77 0.00 0.00 66.41 66.57 2qpq h THR 284 Cb 0.76 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 2qpq h THR 284 CO 0.06 0.25 -0.87 0.44 0.37 0.00 0.00 175.52 175.76 2qpq h ASP 285 N 1.19 0.33 -0.23 4.18 3.32 -0.87 -1.08 116.42 123.25 2qpq h ASP 285 Ca 0.31 -0.26 0.04 0.00 0.02 0.00 0.00 57.03 57.14 2qpq h ASP 285 Cb -0.06 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 2qpq h ASP 285 CO -0.06 1.05 0.01 0.40 -1.72 0.00 0.00 179.24 178.92 2qpq h ILE 286 N 0.15 0.84 -0.40 0.35 2.04 -0.99 0.13 117.51 119.64 2qpq h ILE 286 Ca -0.05 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 2qpq h ILE 286 Cb 1.49 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.31 2qpq h ILE 286 CO 0.14 0.01 0.17 0.44 0.00 0.00 0.00 178.15 178.91 2qpq h ASP 287 N 0.08 0.54 -0.34 1.72 3.32 -1.14 -0.71 116.42 119.89 2qpq h ASP 287 Ca 0.11 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 56.93 2qpq h ASP 287 Cb 0.13 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2qpq h ASP 287 CO -0.18 0.54 -0.07 -0.09 -1.72 0.00 0.00 179.24 177.72 2qpq h ARG 288 N 0.50 0.65 -0.18 3.56 2.43 -0.97 -2.33 114.38 118.03 2qpq h ARG 288 Ca 0.13 -0.24 -0.15 0.00 -0.81 0.00 0.00 59.98 58.91 2qpq h ARG 288 Cb 0.16 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 2qpq h ARG 288 CO -0.01 0.81 -0.52 0.74 -1.51 0.00 0.00 179.97 179.48 2qpq h PHE 289 N 0.43 0.64 -0.63 2.20 0.04 -0.67 -2.32 116.94 116.64 2qpq h PHE 289 Ca 0.09 -0.22 -0.05 0.00 2.80 0.00 0.00 57.97 60.59 2qpq h PHE 289 Cb 0.57 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.57 2qpq h PHE 289 CO 0.05 0.93 0.18 0.77 -0.60 0.00 0.00 178.31 179.64 2qpq h SER 290 N 0.40 0.90 -0.19 2.17 0.02 -1.02 -0.18 113.55 115.65 2qpq h SER 290 Ca 0.01 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.79 2qpq h SER 290 Cb 1.05 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.35 2qpq h SER 290 CO 0.10 0.85 0.08 0.00 -1.14 0.00 0.00 176.83 176.72 2qpq h ALA 291 N 1.26 0.25 0.08 3.77 0.00 -1.17 -0.54 119.26 122.91 2qpq h ALA 291 Ca 0.21 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2qpq h ALA 291 Cb 0.29 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2qpq h ALA 291 CO -0.01 -0.18 -0.04 1.25 0.00 0.00 0.00 179.25 180.28 2qpq h LEU 292 N 0.16 -0.09 -1.05 0.00 5.85 -1.07 -1.33 115.31 117.78 2qpq h LEU 292 Ca 0.06 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 2qpq h LEU 292 Cb 0.15 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2qpq h LEU 292 CO -0.01 -0.06 -0.26 0.71 -0.34 0.00 0.00 178.44 178.48 2qpq h THR 293 N -0.10 0.63 -0.11 1.05 1.35 -1.02 -2.26 112.91 112.45 2qpq h THR 293 Ca -0.01 -1.22 -0.02 0.00 -0.55 0.00 0.00 66.41 64.61 2qpq h THR 293 Cb 0.08 1.81 -0.00 0.00 -1.73 0.00 0.00 68.15 68.31 2qpq h THR 293 CO 0.02 0.26 0.01 0.50 -0.25 0.00 0.00 175.52 176.05 2qpq h LYS 294 N 0.00 0.20 -0.38 4.72 3.64 -0.98 -0.34 116.57 123.43 2qpq h LYS 294 Ca -0.00 -0.06 0.08 0.00 -1.27 0.00 0.00 60.65 59.40 2qpq h LYS 294 Cb 0.79 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.50 2qpq h LYS 294 CO 0.03 0.42 -0.20 1.96 -2.27 0.00 0.00 179.45 179.39 2qpq h GLN 295 N -0.05 -0.13 -0.00 1.90 4.20 -0.82 -2.52 115.11 117.68 2qpq h GLN 295 Ca 0.03 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2qpq h GLN 295 Cb 0.32 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.13 2qpq h GLN 295 CO 0.00 -0.09 -0.21 0.44 -0.67 0.00 0.00 178.83 178.30 2qpq n ILE 296 N -5.37 0.00 -2.58 2.54 -5.35 -0.89 -4.96 119.36 102.75 2qpq n ILE 296 Ca 0.02 -0.05 -0.10 0.00 -0.27 0.00 0.00 62.75 62.34 2qpq n ILE 296 Cb 0.29 0.02 0.02 0.00 -1.74 0.00 0.00 39.64 38.22 2qpq n ILE 296 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qpq n GLY 297 N 1.37 0.12 3.66 3.28 0.00 -0.27 -5.00 105.19 108.35 2qpq n GLY 297 Ca 0.11 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 2qpq n GLY 297 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qpq s LEU 298 N -3.32 4.15 -0.02 0.99 2.96 -0.40 -5.03 118.68 118.01 2qpq s LEU 298 Ca 0.13 0.75 0.05 0.00 -0.22 0.00 0.00 54.13 54.84 2qpq s LEU 298 Cb -0.06 -2.79 -0.01 0.00 0.50 0.00 0.00 46.19 43.83 2qpq s LEU 298 CO 0.16 -0.22 -0.15 -0.54 -1.32 0.00 0.00 176.35 174.28 2qpq s LYS 299 N 1.73 1.30 0.02 1.98 -0.14 -1.26 -4.47 119.74 118.90 2qpq s LYS 299 Ca 0.26 -0.55 0.22 0.00 -1.36 0.00 0.00 55.97 54.54 2qpq s LYS 299 Cb -0.16 -1.24 -0.11 0.00 -1.68 0.00 0.00 37.83 34.65 2qpq s LYS 299 CO 0.10 0.32 0.87 0.28 -0.76 0.00 0.00 175.35 176.16 2qpq n VAL 300 N 2.77 0.11 -0.51 3.17 0.31 0.17 -5.03 118.33 119.30 2qpq n VAL 300 Ca -0.15 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 2qpq n VAL 300 Cb 0.54 0.32 0.00 0.00 -0.91 0.00 0.00 33.84 33.79 2qpq n VAL 300 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61