#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 1.78 -4.80 3.54 6.94 -1.26 -4.72 115.26 116.75 2qpq n ASN 7 Ca 0.00 0.12 -0.34 0.00 -0.02 0.00 0.00 54.58 54.33 2qpq n ASN 7 Cb 0.00 -0.45 -0.04 0.00 -2.36 0.00 0.00 39.78 36.93 2qpq n ASN 7 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 2qpq s LYS 8 N -2.35 3.83 0.85 -3.83 2.20 -1.26 -4.84 119.74 114.34 2qpq s LYS 8 Ca -0.25 1.37 -0.13 0.00 -0.36 0.00 0.00 55.97 56.60 2qpq s LYS 8 Cb 0.09 -2.13 0.06 0.00 -1.51 0.00 0.00 37.83 34.34 2qpq s LYS 8 CO 0.36 -0.41 0.87 -2.30 -0.36 0.00 0.00 175.35 173.50 2qpq n PRO 9 N -0.90 -0.02 -2.93 4.03 -0.02 -1.26 -4.89 135.00 129.01 2qpq n PRO 9 Ca 0.09 0.06 -0.30 0.00 -2.02 0.00 0.00 63.50 61.33 2qpq n PRO 9 Cb 0.52 -2.17 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 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 -3.64 3.86 -0.25 2.45 1.02 -0.49 -4.92 118.68 116.71 2qpq s LEU 10 Ca 0.67 1.05 0.03 0.00 0.02 0.00 0.00 54.13 55.89 2qpq s LEU 10 Cb -0.27 -3.93 0.06 0.00 0.02 0.00 0.00 46.19 42.07 2qpq s LEU 10 CO 0.58 -0.37 -0.11 -0.62 0.02 0.00 0.00 176.35 175.85 2qpq s ASP 11 N -3.19 4.28 -0.33 2.29 2.15 0.86 0.22 116.67 122.94 2qpq s ASP 11 Ca 0.50 -1.32 -0.10 0.00 0.43 0.00 0.00 52.55 52.05 2qpq s ASP 11 Cb -0.10 -1.49 0.00 0.00 -0.30 0.00 0.00 42.92 41.03 2qpq s ASP 11 CO 0.32 -0.18 0.18 -0.63 -0.17 0.00 0.00 175.17 174.68 2qpq s ILE 12 N 1.15 4.63 -0.31 4.11 1.01 0.17 -0.91 121.20 131.05 2qpq s ILE 12 Ca -0.08 -0.55 -0.19 0.00 0.00 0.00 0.00 60.65 59.83 2qpq s ILE 12 Cb -0.19 -3.44 -0.01 0.00 0.01 0.00 0.00 42.46 38.83 2qpq s ILE 12 CO -0.06 -0.04 0.57 -0.63 0.00 0.00 0.00 174.94 174.79 2qpq s ILE 13 N 1.60 4.99 -0.10 2.92 -1.09 0.26 -0.45 121.20 129.32 2qpq s ILE 13 Ca 0.04 0.73 -0.17 0.00 -2.23 0.00 0.00 60.65 59.02 2qpq s ILE 13 Cb -0.18 -3.95 -0.05 0.00 -1.58 0.00 0.00 42.46 36.71 2qpq s ILE 13 CO 0.07 -0.11 0.44 -0.69 -1.23 0.00 0.00 174.94 173.42 2qpq s VAL 14 N 2.48 5.17 -0.79 2.92 1.01 0.75 -0.16 120.40 131.79 2qpq s VAL 14 Ca 0.23 0.88 0.26 0.00 0.00 0.00 0.00 61.98 63.35 2qpq s VAL 14 Cb -0.15 -3.78 0.27 0.00 0.00 0.00 0.00 36.38 32.72 2qpq s VAL 14 CO 0.12 0.38 1.80 0.35 0.00 0.00 0.00 175.10 177.74 2qpq n THR 15 N 3.35 0.48 -4.32 3.92 -2.24 -1.08 -0.73 114.28 113.66 2qpq n THR 15 Ca -0.09 -0.16 -0.17 0.00 -2.27 0.00 0.00 64.05 61.37 2qpq n THR 15 Cb 0.52 -0.62 -0.10 0.00 -2.10 0.00 0.00 70.33 68.02 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 -3.09 1.57 0.86 4.78 0.40 -1.26 -3.45 117.98 117.79 2qpq s PHE 16 Ca 0.11 -0.71 -0.12 0.00 -0.60 0.00 0.00 56.93 55.61 2qpq s PHE 16 Cb 0.14 -0.80 0.11 0.00 0.51 0.00 0.00 43.02 42.97 2qpq s PHE 16 CO 0.55 0.19 1.10 -2.14 0.70 0.00 0.00 175.22 175.63 2qpq s PRO 17 N -3.72 1.58 0.85 0.24 0.02 -1.26 -4.65 135.00 128.05 2qpq s PRO 17 Ca 0.22 0.64 -0.13 0.00 0.02 0.00 0.00 61.00 61.75 2qpq s PRO 17 Cb 0.02 -1.86 0.08 0.00 0.02 0.00 0.00 34.50 32.76 2qpq s PRO 17 CO 0.06 -1.97 1.05 -2.30 -0.33 0.00 0.00 177.00 173.50 2qpq n PRO 18 N -3.67 -0.02 -0.11 5.54 -0.02 -1.26 -3.44 135.00 132.02 2qpq n PRO 18 Ca 0.07 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 2qpq n PRO 18 Cb 0.56 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 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 0.67 1.11 4.00 -1.23 0.00 -1.26 -5.05 105.19 103.43 2qpq n GLY 19 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.85 1.85 0.19 -0.02 0.00 -1.22 -4.97 107.32 101.30 2qpq s GLY 20 Ca 0.00 -1.60 -0.12 0.00 0.00 0.00 0.00 44.72 43.00 2qpq s GLY 20 CO 0.00 -1.30 1.86 -1.33 0.00 0.00 0.00 173.10 172.33 2qpq h GLY 21 N 0.22 0.92 0.70 0.20 0.00 -1.96 -1.18 103.07 101.96 2qpq h GLY 21 Ca -0.39 -0.35 0.02 0.00 0.00 0.00 0.00 47.33 46.61 2qpq h GLY 21 CO 0.47 0.34 -0.11 -0.84 0.00 0.00 0.00 176.54 176.40 2qpq h THR 22 N 0.88 0.71 -0.28 4.70 2.02 -1.95 -0.23 112.91 118.77 2qpq h THR 22 Ca 0.24 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.45 2qpq h THR 22 Cb -0.09 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 2qpq h THR 22 CO -0.05 0.00 0.09 -0.78 0.37 0.00 0.00 175.52 175.15 2qpq h ASP 23 N -0.18 0.08 -0.87 4.18 3.58 -1.79 -1.44 116.42 119.98 2qpq h ASP 23 Ca 0.05 0.03 0.06 0.00 0.42 0.00 0.00 57.03 57.59 2qpq h ASP 23 Cb 0.24 0.03 -0.06 0.00 1.72 0.00 0.00 39.33 41.26 2qpq h ASP 23 CO -0.13 0.08 0.54 -0.03 -2.88 0.00 0.00 179.24 176.83 2qpq h MET 24 N 0.21 0.95 -0.19 0.28 4.05 -0.88 -1.33 114.93 118.03 2qpq h MET 24 Ca 0.13 -0.06 -0.12 0.00 -0.28 0.00 0.00 59.70 59.37 2qpq h MET 24 Cb 0.10 -0.22 0.00 0.00 -0.80 0.00 0.00 31.60 30.69 2qpq h MET 24 CO -0.14 0.63 -0.34 -0.07 0.23 0.00 0.00 176.91 177.22 2qpq h LEU 25 N 0.98 0.64 -0.36 3.39 3.38 -0.89 -1.66 115.31 120.79 2qpq h LEU 25 Ca 0.38 -0.54 0.03 0.00 0.09 0.00 0.00 57.88 57.85 2qpq h LEU 25 Cb 0.18 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2qpq h LEU 25 CO -0.18 1.05 0.15 0.00 0.09 0.00 0.00 178.44 179.56 2qpq h ALA 26 N 0.60 0.43 -0.26 1.53 0.00 -0.94 -1.01 119.26 119.62 2qpq h ALA 26 Ca 0.01 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 2qpq h ALA 26 Cb 0.93 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2qpq h ALA 26 CO 0.08 -0.23 -0.31 0.00 0.00 0.00 0.00 179.25 178.79 2qpq h ARG 27 N 0.33 0.53 0.17 0.00 3.08 -1.24 0.16 114.38 117.40 2qpq h ARG 27 Ca 0.16 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 2qpq h ARG 27 Cb 0.10 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 2qpq h ARG 27 CO -0.13 0.78 -0.13 1.25 -1.07 0.00 0.00 179.97 180.66 2qpq h LEU 28 N 0.45 -0.33 -0.36 3.04 5.85 -1.08 0.41 115.31 123.30 2qpq h LEU 28 Ca 0.06 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.83 2qpq h LEU 28 Cb 0.76 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.87 2qpq h LEU 28 CO 0.06 -0.20 0.18 0.40 -0.34 0.00 0.00 178.44 178.54 2qpq h ILE 29 N -0.30 0.99 -0.71 4.05 2.04 -0.95 -2.82 117.51 119.81 2qpq h ILE 29 Ca -0.01 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.74 2qpq h ILE 29 Cb 0.27 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 2qpq h ILE 29 CO -0.01 0.07 0.46 1.23 0.00 0.00 0.00 178.15 179.91 2qpq h GLY 30 N 0.38 1.00 0.35 5.37 0.00 -0.53 0.86 103.07 110.50 2qpq h GLY 30 Ca 0.15 -0.36 0.05 0.00 0.00 0.00 0.00 47.33 47.17 2qpq h GLY 30 CO -0.10 0.35 -0.15 3.43 0.00 0.00 0.00 176.54 180.06 2qpq h ASN 31 N 0.94 -0.48 -0.09 0.19 -0.26 -0.68 -0.82 115.58 114.38 2qpq h ASN 31 Ca 0.26 0.10 -0.24 0.00 -0.56 0.00 0.00 56.30 55.87 2qpq h ASN 31 Cb -0.08 0.25 0.01 0.00 -1.06 0.00 0.00 38.32 37.44 2qpq h ASN 31 CO -0.07 -0.19 -0.88 1.88 -1.06 0.00 0.00 177.43 177.12 2qpq h TYR 32 N -0.14 1.07 -0.93 1.19 0.05 -1.25 -3.27 116.97 113.69 2qpq h TYR 32 Ca 0.13 -0.51 0.07 0.00 0.05 0.00 0.00 58.73 58.47 2qpq h TYR 32 Cb 0.33 -0.15 -0.06 0.00 1.01 0.00 0.00 36.73 37.86 2qpq h TYR 32 CO -0.31 1.35 0.60 -0.07 -1.05 0.00 0.00 178.16 178.68 2qpq h LEU 33 N 0.49 0.92 0.21 3.88 3.38 -0.76 -3.00 115.31 120.41 2qpq h LEU 33 Ca -0.08 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2qpq h LEU 33 Cb 1.52 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 2qpq h LEU 33 CO 0.18 0.58 -0.19 0.74 0.09 0.00 0.00 178.44 179.83 2qpq h THR 34 N 1.03 0.59 -3.35 0.22 2.02 -1.20 -3.17 112.91 109.05 2qpq h THR 34 Ca 0.41 0.00 -0.43 0.00 0.77 0.00 0.00 66.41 67.15 2qpq h THR 34 Cb 0.24 0.59 0.20 0.00 -1.74 0.00 0.00 68.15 67.44 2qpq h THR 34 CO -0.16 0.00 0.04 -1.61 0.37 0.00 0.00 175.52 174.16 2qpq s GLU 35 N -6.11 -0.82 0.00 6.66 2.02 -1.13 -3.28 118.70 116.04 2qpq s GLU 35 Ca -0.15 0.69 0.00 0.00 0.02 0.00 0.00 54.97 55.53 2qpq s GLU 35 Cb 0.06 -1.58 0.00 0.00 0.10 0.00 0.00 34.13 32.72 2qpq s GLU 35 CO 0.65 -3.62 0.00 0.45 0.02 0.00 0.00 175.26 172.76 2qpq n SER 36 N -4.82 0.00 -3.92 -0.19 2.88 -1.26 -4.64 113.62 101.67 2qpq n SER 36 Ca 0.03 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.27 2qpq n SER 36 Cb 0.55 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.86 2qpq n SER 36 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2qpq s LEU 37 N 0.00 3.25 0.00 2.46 1.02 -1.20 -5.02 118.68 119.19 2qpq s LEU 37 Ca 0.00 -1.62 -0.00 0.00 0.02 0.00 0.00 54.13 52.52 2qpq s LEU 37 Cb 0.00 -1.27 -0.01 0.00 0.02 0.00 0.00 46.19 44.93 2qpq s LEU 37 CO 0.00 -0.33 1.60 0.61 0.02 0.00 0.00 176.35 178.26 2qpq n GLY 38 N 4.57 2.05 3.67 -3.19 0.00 -1.26 -4.65 105.19 106.37 2qpq n GLY 38 Ca -0.04 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 2qpq n GLY 38 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2qpq s GLN 39 N 0.53 1.87 -0.09 1.61 0.00 -1.21 -5.02 119.66 117.35 2qpq s GLN 39 Ca 0.03 -1.38 -0.29 0.00 -0.00 0.00 0.00 55.36 53.72 2qpq s GLN 39 Cb 0.01 0.53 -0.05 0.00 0.00 0.00 0.00 33.01 33.50 2qpq s GLN 39 CO 0.00 -0.82 1.73 0.99 0.00 0.00 0.00 175.29 177.19 2qpq s THR 40 N -3.30 3.48 -0.71 3.63 2.01 -1.26 -3.99 115.64 115.50 2qpq s THR 40 Ca 0.20 0.57 -0.26 0.00 0.31 0.00 0.00 61.69 62.52 2qpq s THR 40 Cb -0.03 -3.42 0.04 0.00 0.01 0.00 0.00 72.50 69.11 2qpq s THR 40 CO 0.12 -0.10 1.17 0.00 -0.69 0.00 0.00 174.62 175.12 2qpq s ALA 41 N 4.67 2.88 0.04 7.40 0.00 -1.26 -1.40 121.76 134.09 2qpq s ALA 41 Ca 0.77 -1.52 -0.30 0.00 0.00 0.00 0.00 51.96 50.91 2qpq s ALA 41 Cb -0.33 -4.12 -0.05 0.00 0.00 0.00 0.00 23.12 18.62 2qpq s ALA 41 CO 0.32 -3.11 1.13 0.08 0.00 0.00 0.00 175.76 174.18 2qpq s VAL 42 N 5.16 4.28 -0.19 0.00 1.01 0.13 -4.79 120.40 126.01 2qpq s VAL 42 Ca 0.31 1.64 -0.03 0.00 0.00 0.00 0.00 61.98 63.90 2qpq s VAL 42 Cb -0.11 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.21 2qpq s VAL 42 CO 0.14 0.13 -0.07 -0.69 0.00 0.00 0.00 175.10 174.61 2qpq s VAL 43 N 1.02 3.32 0.01 2.92 1.01 -1.26 0.42 120.40 127.84 2qpq s VAL 43 Ca 0.57 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 62.03 2qpq s VAL 43 Cb -0.27 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 2qpq s VAL 43 CO 0.29 0.46 -0.05 -1.83 0.00 0.00 0.00 175.10 173.97 2qpq s GLU 44 N 1.04 0.39 -0.13 2.72 -1.05 0.40 -4.97 118.70 117.10 2qpq s GLU 44 Ca 0.00 -0.31 -0.21 0.00 -0.15 0.00 0.00 54.97 54.30 2qpq s GLU 44 Cb -0.15 -0.31 -0.03 0.00 -0.44 0.00 0.00 34.13 33.20 2qpq s GLU 44 CO -0.01 0.08 0.62 -0.80 0.95 0.00 0.00 175.26 176.10 2qpq s ASN 45 N -0.50 6.79 -0.55 0.83 0.01 -1.26 -0.18 114.94 120.08 2qpq s ASN 45 Ca -0.02 0.95 0.06 0.00 -0.71 0.00 0.00 52.86 53.15 2qpq s ASN 45 Cb -0.04 -2.35 0.24 0.00 0.41 0.00 0.00 41.25 39.50 2qpq s ASN 45 CO -0.00 -0.15 0.62 0.54 -1.51 0.00 0.00 177.10 176.60 2qpq n ARG 46 N 4.27 1.73 -2.04 -0.60 5.12 0.09 -4.89 116.66 120.34 2qpq n ARG 46 Ca -0.03 -4.10 -0.29 0.00 -1.93 0.00 0.00 57.85 51.50 2qpq n ARG 46 Cb 0.51 -1.90 0.17 0.00 -1.16 0.00 0.00 32.46 30.08 2qpq n ARG 46 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2qpq s PRO 47 N -1.80 0.83 0.00 5.56 0.04 -1.26 -2.98 135.00 135.39 2qpq s PRO 47 Ca 0.36 -0.52 0.00 0.00 0.04 0.00 0.00 61.00 60.89 2qpq s PRO 47 Cb 0.13 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.74 2qpq s PRO 47 CO -0.07 -2.25 0.00 0.41 0.04 0.00 0.00 177.00 175.13 2qpq n GLY 48 N -3.61 3.88 3.58 0.56 0.00 -1.26 -4.75 105.19 103.58 2qpq n GLY 48 Ca 0.15 -1.08 -0.22 0.00 0.00 0.00 0.00 46.02 44.88 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 0.00 -1.68 -2.72 4.61 0.00 -1.26 -2.39 120.51 117.07 2qpq n ALA 49 Ca 0.00 0.13 -0.21 0.00 0.00 0.00 0.00 53.44 53.36 2qpq n ALA 49 Cb 0.00 -3.75 0.01 0.00 0.00 0.00 0.00 19.45 15.71 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 -3.05 -5.65 0.00 0.00 7.64 -1.26 -0.63 113.62 110.67 2qpq n SER 50 Ca -0.14 -0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.61 2qpq n SER 50 Cb 0.61 -4.65 0.00 0.00 -1.01 0.00 0.00 64.21 59.17 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 -1.21 0.66 0.16 0.23 0.00 -1.04 -4.72 105.19 99.27 2qpq n GLY 51 Ca -0.17 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.81 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 0.18 0.21 1.61 2.35 -0.50 -0.64 115.58 118.78 2qpq h ASN 52 Ca 0.00 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 2qpq h ASN 52 Cb 0.00 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.32 2qpq h ASN 52 CO 0.00 0.74 -0.10 0.58 -1.65 0.00 0.00 177.43 177.01 2qpq h VAL 53 N 0.11 0.80 -0.10 2.81 2.07 -1.72 0.60 116.25 120.83 2qpq h VAL 53 Ca -0.01 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2qpq h VAL 53 Cb 1.11 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.68 2qpq h VAL 53 CO 0.09 0.00 0.06 1.23 0.02 0.00 0.00 177.57 178.98 2qpq h GLY 54 N -0.28 0.14 0.72 2.17 0.00 -1.51 -1.97 103.07 102.34 2qpq h GLY 54 Ca -0.03 -0.05 0.04 0.00 0.00 0.00 0.00 47.33 47.29 2qpq h GLY 54 CO 0.05 0.05 0.15 0.00 0.00 0.00 0.00 176.54 176.79 2qpq h ALA 55 N 1.02 0.44 -0.55 3.60 0.00 -1.00 -2.10 119.26 120.67 2qpq h ALA 55 Ca 0.04 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2qpq h ALA 55 Cb 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2qpq h ALA 55 CO -0.01 -0.24 0.32 -0.09 0.00 0.00 0.00 179.25 179.23 2qpq h ARG 56 N 0.31 0.61 -0.27 0.00 2.43 -0.69 -0.12 114.38 116.66 2qpq h ARG 56 Ca 0.17 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.36 2qpq h ARG 56 Cb 0.12 -0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 29.47 2qpq h ARG 56 CO -0.15 0.40 -0.12 1.25 -1.51 0.00 0.00 179.97 179.84 2qpq h LEU 57 N 0.63 -0.42 -0.38 3.80 5.85 -0.94 -2.20 115.31 121.66 2qpq h LEU 57 Ca 0.23 0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.94 2qpq h LEU 57 Cb 0.05 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 2qpq h LEU 57 CO -0.11 -0.16 -0.18 0.58 -0.34 0.00 0.00 178.44 178.23 2qpq h VAL 58 N -0.08 1.28 -0.58 1.05 2.07 -1.04 -2.61 116.25 116.35 2qpq h VAL 58 Ca 0.14 -1.31 0.16 0.00 0.82 0.00 0.00 66.70 66.51 2qpq h VAL 58 Cb 0.30 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 2qpq h VAL 58 CO -0.32 0.43 0.41 0.00 0.02 0.00 0.00 177.57 178.11 2qpq h ALA 59 N 0.80 2.50 -0.00 1.67 0.00 -0.82 0.23 119.26 123.65 2qpq h ALA 59 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2qpq h ALA 59 Cb 0.73 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2qpq h ALA 59 CO 0.06 -0.66 -0.21 -0.25 0.00 0.00 0.00 179.25 178.18 2qpq n ASP 60 N -4.38 0.37 -4.87 0.00 9.92 -0.85 -4.93 116.55 111.81 2qpq n ASP 60 Ca 0.11 -0.16 -0.31 0.00 -0.53 0.00 0.00 54.79 53.90 2qpq n ASP 60 Cb 0.63 -0.08 0.02 0.00 -0.64 0.00 0.00 41.12 41.04 2qpq n ASP 60 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2qpq s ARG 61 N -2.80 3.42 0.48 -1.24 1.81 0.07 -5.03 118.95 115.66 2qpq s ARG 61 Ca 0.18 0.68 -0.24 0.00 -1.72 0.00 0.00 55.73 54.63 2qpq s ARG 61 Cb 0.19 -2.07 -0.07 0.00 -0.45 0.00 0.00 34.95 32.55 2qpq s ARG 61 CO 0.57 -0.68 1.36 0.00 -0.68 0.00 0.00 175.30 175.86 2qpq s ALA 62 N -3.22 3.06 -1.45 2.13 0.00 -1.26 -4.86 121.76 116.15 2qpq s ALA 62 Ca 0.56 1.33 -0.07 0.00 0.00 0.00 0.00 51.96 53.77 2qpq s ALA 62 Cb -0.11 -3.55 0.04 0.00 0.00 0.00 0.00 23.12 19.50 2qpq s ALA 62 CO 0.53 -1.15 2.62 -0.35 0.00 0.00 0.00 175.76 177.41 2qpq n PRO 63 N -0.49 4.24 0.00 0.00 -0.04 -1.26 -4.41 135.00 133.04 2qpq n PRO 63 Ca 0.07 -2.96 0.04 0.00 -0.04 0.00 0.00 63.50 60.61 2qpq n PRO 63 Cb 0.44 -2.70 0.03 0.00 -0.04 0.00 0.00 33.50 31.23 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 2.47 1.57 0.00 3.54 5.68 -1.26 -4.14 116.55 124.40 2qpq n ASP 64 Ca 0.69 -1.28 0.00 0.00 -0.50 0.00 0.00 54.79 53.70 2qpq n ASP 64 Cb 0.24 0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 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 0.47 1.19 0.03 6.12 0.00 -1.26 -4.91 105.19 106.83 2qpq n GLY 65 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.18 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 0.29 -4.02 1.61 4.01 -1.26 -4.73 117.16 111.06 2qpq n TYR 66 Ca 0.00 0.08 -0.34 0.00 -0.16 0.00 0.00 57.90 57.48 2qpq n TYR 66 Cb 0.00 -0.48 -0.15 0.00 -0.31 0.00 0.00 39.34 38.41 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 -3.64 3.88 0.12 7.72 0.01 -1.26 -0.10 113.70 120.43 2qpq s SER 67 Ca 0.09 -0.48 0.06 0.00 1.31 0.00 0.00 55.95 56.93 2qpq s SER 67 Cb 0.15 -1.64 -0.04 0.00 0.21 0.00 0.00 66.02 64.70 2qpq s SER 67 CO 0.70 -0.00 -0.15 -0.76 0.41 0.00 0.00 173.24 173.44 2qpq s LEU 68 N 1.36 2.40 -0.18 2.44 1.02 -0.09 -4.38 118.68 121.25 2qpq s LEU 68 Ca 0.05 -0.81 -0.01 0.00 0.02 0.00 0.00 54.13 53.38 2qpq s LEU 68 Cb -0.14 -0.58 0.01 0.00 0.02 0.00 0.00 46.19 45.50 2qpq s LEU 68 CO -0.06 -0.13 -0.14 -0.22 0.02 0.00 0.00 176.35 175.82 2qpq s LEU 69 N -2.45 2.45 -0.24 1.79 2.96 0.43 -0.57 118.68 123.04 2qpq s LEU 69 Ca 0.09 -0.52 -0.21 0.00 -0.22 0.00 0.00 54.13 53.27 2qpq s LEU 69 Cb -0.05 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 45.04 2qpq s LEU 69 CO 0.03 0.02 0.66 -0.32 -1.32 0.00 0.00 176.35 175.42 2qpq s MET 70 N 1.20 4.13 0.27 1.98 -2.45 0.78 -0.97 119.30 124.25 2qpq s MET 70 Ca 0.02 0.61 0.12 0.00 -1.25 0.00 0.00 55.69 55.19 2qpq s MET 70 Cb -0.14 -3.64 -0.05 0.00 1.25 0.00 0.00 34.83 32.25 2qpq s MET 70 CO -0.06 -0.40 -0.20 0.14 1.05 0.00 0.00 175.02 175.54 2qpq s VAL 71 N 2.47 2.44 0.37 10.11 -7.23 0.71 -2.64 120.40 126.63 2qpq s VAL 71 Ca 0.28 -2.39 0.01 0.00 -1.81 0.00 0.00 61.98 58.07 2qpq s VAL 71 Cb -0.15 -2.28 -0.00 0.00 0.56 0.00 0.00 36.38 34.50 2qpq s VAL 71 CO 0.09 -0.40 0.04 -0.46 -0.31 0.00 0.00 175.10 174.05 2qpq n ASN 72 N -0.59 2.43 -0.01 4.85 2.04 -1.26 -1.22 115.26 121.51 2qpq n ASN 72 Ca -0.05 -2.71 0.23 0.00 -0.44 0.00 0.00 54.58 51.61 2qpq n ASN 72 Cb 0.60 0.45 0.65 0.00 -2.53 0.00 0.00 39.78 38.95 2qpq n ASN 72 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 2qpq h SER 73 N 1.05 0.00 -1.03 0.53 0.02 -1.70 -1.27 113.55 111.16 2qpq h SER 73 Ca -0.30 0.00 0.26 0.00 -0.84 0.00 0.00 61.79 60.91 2qpq h SER 73 Cb 0.97 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.40 2qpq h SER 73 CO 0.49 0.00 0.63 0.28 -1.14 0.00 0.00 176.83 177.09 2qpq h SER 74 N 0.00 0.58 -0.99 3.07 0.02 -1.92 0.17 113.55 114.49 2qpq h SER 74 Ca 0.29 0.12 0.20 0.00 -0.84 0.00 0.00 61.79 61.56 2qpq h SER 74 Cb 1.69 0.03 -0.10 0.00 0.14 0.00 0.00 62.40 64.16 2qpq h SER 74 CO -0.00 0.08 0.62 0.15 -1.14 0.00 0.00 176.83 176.53 2qpq h PHE 75 N 0.50 0.93 0.00 3.45 3.57 -1.51 -0.66 116.94 123.21 2qpq h PHE 75 Ca 0.64 0.03 0.00 0.00 3.53 0.00 0.00 57.97 62.17 2qpq h PHE 75 Cb 1.37 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.83 2qpq h PHE 75 CO -0.01 0.21 -0.36 0.00 -2.23 0.00 0.00 178.31 175.93 2qpq h ALA 76 N 1.63 0.79 0.12 2.41 0.00 -0.86 -3.28 119.26 120.08 2qpq h ALA 76 Ca 0.55 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 55.19 2qpq h ALA 76 Cb 0.99 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.79 2qpq h ALA 76 CO -0.33 0.00 -1.22 0.28 0.00 0.00 0.00 179.25 177.99 2qpq h VAL 77 N 0.00 1.47 -0.60 0.00 2.07 -0.83 -3.36 116.25 114.99 2qpq h VAL 77 Ca 0.00 -2.93 0.05 0.00 0.82 0.00 0.00 66.70 64.64 2qpq h VAL 77 Cb 0.87 2.87 -0.05 0.00 -1.52 0.00 0.00 31.29 33.46 2qpq h VAL 77 CO 0.00 0.86 0.33 0.78 0.02 0.00 0.00 177.57 179.56 2qpq h ASN 78 N 0.11 0.48 -0.51 0.57 -0.26 -1.35 -2.64 115.58 111.99 2qpq h ASN 78 Ca -0.14 0.03 0.12 0.00 -0.56 0.00 0.00 56.30 55.76 2qpq h ASN 78 Cb 1.93 -0.07 -0.02 0.00 -1.06 0.00 0.00 38.32 39.10 2qpq h ASN 78 CO 0.20 0.32 0.36 -0.65 -1.06 0.00 0.00 177.43 176.60 2qpq h PRO 79 N 0.62 0.12 0.00 0.81 0.11 -1.76 -1.06 132.00 130.84 2qpq h PRO 79 Ca 0.27 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 66.21 2qpq h PRO 79 Cb 0.16 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.22 2qpq h PRO 79 CO -0.17 0.08 -0.78 0.78 -0.21 0.00 0.00 178.00 177.70 2qpq h GLY 80 N 0.13 0.00 0.00 -0.55 0.00 -1.75 -3.38 103.07 97.52 2qpq h GLY 80 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 2qpq h GLY 80 CO -0.03 0.00 -1.23 3.33 0.00 0.00 0.00 176.54 178.61 2qpq n VAL 81 N -3.26 0.00 -3.73 4.60 0.24 -0.81 -4.78 118.33 110.59 2qpq n VAL 81 Ca 0.00 -0.24 -0.36 0.00 -2.04 0.00 0.00 64.34 61.71 2qpq n VAL 81 Cb 0.83 0.59 -0.07 0.00 -1.47 0.00 0.00 33.84 33.72 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 -2.83 3.47 0.13 6.34 0.40 -0.47 -0.29 117.98 124.72 2qpq s PHE 82 Ca 0.01 0.43 -0.14 0.00 -0.60 0.00 0.00 56.93 56.63 2qpq s PHE 82 Cb 0.12 -2.14 -0.02 0.00 0.51 0.00 0.00 43.02 41.48 2qpq s PHE 82 CO 0.69 0.39 1.54 0.00 0.70 0.00 0.00 175.22 178.53 2qpq h ARG 83 N 6.25 0.78 -2.35 0.44 3.08 -1.90 -3.39 114.38 117.28 2qpq h ARG 83 Ca -0.44 -0.30 -0.59 0.00 0.07 0.00 0.00 59.98 58.72 2qpq h ARG 83 Cb 1.17 -0.05 -0.39 0.00 0.08 0.00 0.00 29.97 30.79 2qpq h ARG 83 CO 0.72 0.91 -0.93 0.09 -1.07 0.00 0.00 179.97 179.69 2qpq n ASN 84 N -4.33 0.47 -4.73 7.04 3.02 -1.26 -5.12 115.26 110.35 2qpq n ASN 84 Ca -0.01 -2.65 -0.42 0.00 -0.03 0.00 0.00 54.58 51.48 2qpq n ASN 84 Cb 0.36 -0.61 -0.03 0.00 -0.61 0.00 0.00 39.78 38.89 2qpq n ASN 84 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2qpq s LEU 85 N -0.66 4.38 -0.07 3.41 2.96 -1.26 -4.90 118.68 122.54 2qpq s LEU 85 Ca 0.33 2.61 0.01 0.00 -0.22 0.00 0.00 54.13 56.87 2qpq s LEU 85 Cb 0.07 -3.61 0.14 0.00 0.50 0.00 0.00 46.19 43.29 2qpq s LEU 85 CO -0.16 -0.73 1.05 -0.81 -1.32 0.00 0.00 176.35 174.39 2qpq n PRO 86 N 2.94 1.38 -3.77 0.98 -0.04 -1.26 -4.78 135.00 130.45 2qpq n PRO 86 Ca 0.09 -0.59 -0.04 0.00 -0.04 0.00 0.00 63.50 62.92 2qpq n PRO 86 Cb 0.40 -1.34 -0.01 0.00 -0.04 0.00 0.00 33.50 32.50 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 -0.83 -0.14 -0.34 0.54 -0.12 -1.26 -4.98 117.98 110.84 2qpq s PHE 87 Ca 0.11 -0.19 -0.14 0.00 -0.05 0.00 0.00 56.93 56.65 2qpq s PHE 87 Cb 0.09 0.65 -0.01 0.00 -0.63 0.00 0.00 43.02 43.12 2qpq s PHE 87 CO 0.02 -0.91 0.32 0.34 -0.05 0.00 0.00 175.22 174.94 2qpq s ASP 88 N -2.93 6.13 0.55 1.98 -1.08 -1.26 -4.97 116.67 115.09 2qpq s ASP 88 Ca 0.12 -0.29 0.33 0.00 -0.52 0.00 0.00 52.55 52.18 2qpq s ASP 88 Cb -0.02 -2.17 1.55 0.00 -1.46 0.00 0.00 42.92 40.82 2qpq s ASP 88 CO 0.03 -0.30 2.07 1.55 0.52 0.00 0.00 175.17 179.05 2qpq h PRO 89 N 8.47 0.00 0.05 4.34 0.13 -1.97 -0.89 132.00 142.13 2qpq h PRO 89 Ca -0.30 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.45 2qpq h PRO 89 Cb 1.15 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.23 2qpq h PRO 89 CO 0.67 0.07 -2.20 1.63 -0.23 0.00 0.00 178.00 177.93 2qpq n LYS 90 N -3.29 0.68 0.02 0.86 5.02 -1.26 -4.48 118.16 115.72 2qpq n LYS 90 Ca -0.01 0.24 0.04 0.00 -2.02 0.00 0.00 58.31 56.56 2qpq n LYS 90 Cb 0.25 -1.61 -0.09 0.00 -0.02 0.00 0.00 35.03 33.56 2qpq n LYS 90 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2qpq n LYS 91 N -3.53 0.63 0.00 1.97 5.02 -1.19 -4.18 118.16 116.88 2qpq n LYS 91 Ca -0.40 0.08 0.13 0.00 -2.02 0.00 0.00 58.31 56.10 2qpq n LYS 91 Cb 0.98 -1.71 0.44 0.00 -0.02 0.00 0.00 35.03 34.72 2qpq n LYS 91 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2qpq n ASP 92 N -2.68 0.64 -4.13 4.39 8.00 -0.34 -4.18 116.55 118.26 2qpq n ASP 92 Ca -0.09 -0.52 -0.18 0.00 0.71 0.00 0.00 54.79 54.71 2qpq n ASP 92 Cb 0.75 0.05 -0.13 0.00 -0.02 0.00 0.00 41.12 41.77 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 -2.65 1.09 -0.04 1.24 0.08 -1.26 -0.35 117.98 116.08 2qpq s PHE 93 Ca 0.22 -0.40 0.03 0.00 0.12 0.00 0.00 56.93 56.89 2qpq s PHE 93 Cb 0.19 -0.64 0.01 0.00 -0.57 0.00 0.00 43.02 42.01 2qpq s PHE 93 CO 0.55 0.02 -0.11 0.00 -0.10 0.00 0.00 175.22 175.58 2qpq s ALA 94 N -1.04 1.06 0.42 5.36 0.00 0.48 -4.43 121.76 123.60 2qpq s ALA 94 Ca -0.02 -0.38 -0.23 0.00 0.00 0.00 0.00 51.96 51.33 2qpq s ALA 94 Cb -0.09 -0.42 -0.09 0.00 0.00 0.00 0.00 23.12 22.52 2qpq s ALA 94 CO 0.01 0.14 1.05 0.00 0.00 0.00 0.00 175.76 176.97 2qpq s ALA 95 N 0.36 3.05 -0.08 0.00 0.00 -1.26 -0.04 121.76 123.80 2qpq s ALA 95 Ca -0.07 0.70 -0.10 0.00 0.00 0.00 0.00 51.96 52.48 2qpq s ALA 95 Cb -0.12 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 2qpq s ALA 95 CO 0.02 -0.25 -0.21 0.28 0.00 0.00 0.00 175.76 175.60 2qpq n VAL 96 N -0.23 1.34 -3.64 0.00 0.31 -0.00 -4.33 118.33 111.77 2qpq n VAL 96 Ca 0.06 0.20 -0.12 0.00 -0.01 0.00 0.00 64.34 64.47 2qpq n VAL 96 Cb 0.50 -2.01 -0.07 0.00 -0.91 0.00 0.00 33.84 31.35 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 -2.51 -0.00 -0.25 2.52 2.07 -1.15 -1.79 121.20 120.08 2qpq s ILE 97 Ca -0.18 0.00 -0.16 0.00 -1.41 0.00 0.00 60.65 58.91 2qpq s ILE 97 Cb 0.03 -0.96 -0.04 0.00 0.13 0.00 0.00 42.46 41.63 2qpq s ILE 97 CO 0.26 0.00 0.40 0.21 -1.91 0.00 0.00 174.94 173.90 2qpq s ASN 98 N 0.72 6.34 -0.04 4.50 3.04 -0.59 -1.27 114.94 127.64 2qpq s ASN 98 Ca -0.03 0.40 0.15 0.00 0.04 0.00 0.00 52.86 53.42 2qpq s ASN 98 Cb -0.05 -2.23 -0.23 0.00 -1.54 0.00 0.00 41.25 37.21 2qpq s ASN 98 CO -0.05 -0.17 0.29 1.33 -3.04 0.00 0.00 177.10 175.47 2qpq n VAL 99 N 4.87 0.13 -3.56 -5.21 0.24 0.20 -2.11 118.33 112.90 2qpq n VAL 99 Ca -0.08 -0.38 -0.13 0.00 -2.04 0.00 0.00 64.34 61.71 2qpq n VAL 99 Cb 0.51 0.05 -0.06 0.00 -1.47 0.00 0.00 33.84 32.87 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 -2.95 -1.87 0.12 2.33 0.00 -1.20 -0.75 121.76 117.45 2qpq s ALA 100 Ca -0.06 1.52 0.07 0.00 0.00 0.00 0.00 51.96 53.49 2qpq s ALA 100 Cb 0.09 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 2qpq s ALA 100 CO 0.62 -0.33 -0.07 0.71 0.00 0.00 0.00 175.76 176.69 2qpq s TYR 101 N -0.99 2.79 -0.07 0.00 2.02 0.92 -1.37 117.35 120.66 2qpq s TYR 101 Ca -0.05 -0.13 -0.01 0.00 -0.37 0.00 0.00 57.07 56.51 2qpq s TYR 101 Cb -0.01 -1.44 0.03 0.00 -0.40 0.00 0.00 41.96 40.14 2qpq s TYR 101 CO 0.04 0.45 -0.01 0.54 -1.57 0.00 0.00 175.55 175.01 2qpq s VAL 102 N -1.33 0.42 0.66 0.71 0.11 -0.02 -0.95 120.40 120.00 2qpq s VAL 102 Ca 0.23 0.07 -0.11 0.00 -2.93 0.00 0.00 61.98 59.23 2qpq s VAL 102 Cb -0.11 -0.55 -0.01 0.00 -1.53 0.00 0.00 36.38 34.18 2qpq s VAL 102 CO 0.15 0.26 1.05 -2.16 -3.33 0.00 0.00 175.10 171.07 2qpq s PRO 103 N 1.77 3.21 0.41 1.54 0.04 -1.26 -1.98 135.00 138.73 2qpq s PRO 103 Ca 0.02 0.90 -0.07 0.00 0.04 0.00 0.00 61.00 61.89 2qpq s PRO 103 Cb -0.13 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 2qpq s PRO 103 CO -0.04 -0.88 0.73 -1.12 0.04 0.00 0.00 177.00 175.73 2qpq s SER 104 N -3.83 6.41 -0.03 6.66 0.01 -1.26 -0.13 113.70 121.53 2qpq s SER 104 Ca 0.57 0.97 0.03 0.00 1.31 0.00 0.00 55.95 58.84 2qpq s SER 104 Cb -0.13 -2.26 -0.00 0.00 0.21 0.00 0.00 66.02 63.84 2qpq s SER 104 CO 0.53 -0.43 -0.12 0.54 0.41 0.00 0.00 173.24 174.17 2qpq s VAL 105 N -2.45 1.03 -0.41 3.43 0.11 0.27 -1.39 120.40 120.98 2qpq s VAL 105 Ca 0.48 -0.50 -0.25 0.00 -2.93 0.00 0.00 61.98 58.78 2qpq s VAL 105 Cb -0.10 -0.89 0.02 0.00 -1.53 0.00 0.00 36.38 33.87 2qpq s VAL 105 CO 0.36 0.31 0.89 -0.36 -3.33 0.00 0.00 175.10 172.96 2qpq s PHE 106 N 0.07 3.01 0.07 1.54 0.40 -0.31 -2.08 117.98 120.67 2qpq s PHE 106 Ca -0.02 0.51 0.09 0.00 -0.60 0.00 0.00 56.93 56.91 2qpq s PHE 106 Cb -0.09 -3.75 -0.03 0.00 0.51 0.00 0.00 43.02 39.66 2qpq s PHE 106 CO 0.01 -0.94 -0.22 0.14 0.70 0.00 0.00 175.22 174.91 2qpq s VAL 107 N 3.51 2.55 0.08 -0.44 -7.23 -0.14 0.62 120.40 119.35 2qpq s VAL 107 Ca 0.36 -1.39 0.04 0.00 -1.81 0.00 0.00 61.98 59.18 2qpq s VAL 107 Cb -0.11 -2.08 -0.03 0.00 0.56 0.00 0.00 36.38 34.71 2qpq s VAL 107 CO 0.22 0.26 -0.11 0.68 -0.31 0.00 0.00 175.10 175.85 2qpq s VAL 108 N -0.96 0.91 0.65 1.32 -7.23 -0.20 -1.27 120.40 113.61 2qpq s VAL 108 Ca 0.14 -1.46 -0.17 0.00 -1.81 0.00 0.00 61.98 58.68 2qpq s VAL 108 Cb -0.10 -1.16 -0.03 0.00 0.56 0.00 0.00 36.38 35.65 2qpq s VAL 108 CO 0.05 -0.45 0.94 -2.65 -0.31 0.00 0.00 175.10 172.68 2qpq n PRO 109 N 0.89 0.73 -1.62 4.82 -0.02 -1.26 -1.26 135.00 137.28 2qpq n PRO 109 Ca -0.18 0.30 -0.49 0.00 -2.02 0.00 0.00 63.50 61.11 2qpq n PRO 109 Cb 0.56 -2.16 -0.04 0.00 -0.02 0.00 0.00 33.50 31.83 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 -2.03 -0.10 -0.95 3.55 0.00 -0.84 -1.17 120.51 118.96 2qpq n ALA 110 Ca 0.14 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.04 2qpq n ALA 110 Cb 0.48 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.79 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 2.46 0.50 3.70 0.00 0.00 -1.26 -5.03 105.19 105.56 2qpq n GLY 111 Ca 0.16 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 2qpq n GLY 111 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2qpq n SER 112 N 0.45 1.60 0.26 1.61 2.88 -0.31 -4.91 113.62 115.20 2qpq n SER 112 Ca 0.00 0.75 0.15 0.00 -1.33 0.00 0.00 58.87 58.44 2qpq n SER 112 Cb 0.00 -1.53 0.61 0.00 -0.75 0.00 0.00 64.21 62.55 2qpq n SER 112 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 2qpq h LYS 113 N 0.05 0.00 -5.75 -1.46 2.10 -1.96 -3.41 116.57 106.15 2qpq h LYS 113 Ca -0.49 0.00 -0.62 0.00 -2.00 0.00 0.00 60.65 57.54 2qpq h LYS 113 Cb 1.33 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 32.54 2qpq h LYS 113 CO 0.50 0.07 0.34 0.71 -2.00 0.00 0.00 179.45 179.07 2qpq s TYR 114 N -3.67 3.08 -0.12 0.07 2.02 -1.26 -4.89 117.35 112.58 2qpq s TYR 114 Ca 0.01 0.40 0.20 0.00 -0.37 0.00 0.00 57.07 57.31 2qpq s TYR 114 Cb 0.09 -3.45 -0.25 0.00 -0.40 0.00 0.00 41.96 37.95 2qpq s TYR 114 CO 0.57 -0.80 0.44 1.63 -1.57 0.00 0.00 175.55 175.82 2qpq n LYS 115 N 6.47 0.66 -4.14 -0.62 4.01 -1.26 -4.98 118.16 118.29 2qpq n LYS 115 Ca 0.02 -0.04 -0.09 0.00 -0.51 0.00 0.00 58.31 57.69 2qpq n LYS 115 Cb 0.48 -1.59 -0.10 0.00 -0.51 0.00 0.00 35.03 33.31 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 -3.05 0.25 0.35 -0.18 -4.23 -1.26 -4.93 115.64 102.59 2qpq s THR 116 Ca -0.07 -1.89 0.12 0.00 -1.18 0.00 0.00 61.69 58.67 2qpq s THR 116 Cb 0.10 -1.85 0.07 0.00 1.34 0.00 0.00 72.50 72.16 2qpq s THR 116 CO 0.86 -0.67 1.79 0.25 -0.54 0.00 0.00 174.62 176.30 2qpq h LEU 117 N 2.95 0.02 -0.61 4.79 5.85 -1.95 -2.54 115.31 123.81 2qpq h LEU 117 Ca -0.35 -0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.47 2qpq h LEU 117 Cb 1.18 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 42.12 2qpq h LEU 117 CO 0.62 0.42 0.19 1.23 -0.34 0.00 0.00 178.44 180.57 2qpq h GLY 118 N 1.22 0.84 1.23 3.75 0.00 -1.93 0.57 103.07 108.75 2qpq h GLY 118 Ca -0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 2qpq h GLY 118 CO 0.05 -0.06 0.17 0.83 0.00 0.00 0.00 176.54 177.53 2qpq h GLU 119 N 0.35 0.97 -0.20 4.80 5.08 -1.87 -1.46 114.58 122.25 2qpq h GLU 119 Ca 0.32 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2qpq h GLU 119 Cb 0.43 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2qpq h GLU 119 CO -0.35 0.85 0.00 1.25 -1.00 0.00 0.00 179.01 179.76 2qpq h LEU 120 N 0.93 0.34 -0.62 1.33 6.46 -1.18 -2.27 115.31 120.30 2qpq h LEU 120 Ca 0.20 -0.31 -0.03 0.00 -0.12 0.00 0.00 57.88 57.63 2qpq h LEU 120 Cb 0.30 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.11 2qpq h LEU 120 CO -0.00 0.57 0.28 0.24 -0.62 0.00 0.00 178.44 178.91 2qpq h MET 121 N 0.11 0.91 -0.68 1.25 2.86 -0.78 -1.22 114.93 117.39 2qpq h MET 121 Ca 0.06 -0.14 0.09 0.00 -2.06 0.00 0.00 59.70 57.65 2qpq h MET 121 Cb 0.39 -0.16 -0.07 0.00 0.06 0.00 0.00 31.60 31.82 2qpq h MET 121 CO 0.01 0.74 0.31 0.00 1.06 0.00 0.00 176.91 179.04 2qpq h ALA 122 N 1.12 0.92 -0.53 6.32 0.00 -1.25 -0.36 119.26 125.47 2qpq h ALA 122 Ca 0.21 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 2qpq h ALA 122 Cb 0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2qpq h ALA 122 CO -0.02 -0.10 0.14 0.00 0.00 0.00 0.00 179.25 179.27 2qpq h ALA 123 N 1.43 1.25 -0.59 0.00 0.00 -0.75 -2.62 119.26 117.97 2qpq h ALA 123 Ca 0.34 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2qpq h ALA 123 Cb 0.38 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2qpq h ALA 123 CO -0.28 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.49 2qpq n ALA 124 N -2.46 2.42 -0.08 0.00 0.00 -0.53 -4.49 120.51 115.36 2qpq n ALA 124 Ca 0.04 -1.04 -0.13 0.00 0.00 0.00 0.00 53.44 52.31 2qpq n ALA 124 Cb 0.21 -0.95 -0.05 0.00 0.00 0.00 0.00 19.45 18.66 2qpq n ALA 124 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2qpq h LYS 125 N 3.44 0.58 -7.13 0.00 1.63 -0.68 0.40 116.57 114.81 2qpq h LYS 125 Ca 0.00 -0.31 -0.46 0.00 -0.85 0.00 0.00 60.65 59.04 2qpq h LYS 125 Cb 0.80 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.44 2qpq h LYS 125 CO 0.00 0.90 0.36 -0.65 -3.45 0.00 0.00 179.45 176.61 2qpq s GLN 126 N -4.34 4.08 0.87 1.90 -0.21 -1.26 -4.54 119.66 116.16 2qpq s GLN 126 Ca -0.13 1.04 -0.11 0.00 0.02 0.00 0.00 55.36 56.18 2qpq s GLN 126 Cb 0.07 -2.16 0.11 0.00 1.00 0.00 0.00 33.01 32.04 2qpq s GLN 126 CO 0.80 -0.16 1.11 0.95 -2.12 0.00 0.00 175.29 175.88 2qpq s THR 127 N -2.40 2.67 -1.38 -0.19 -4.23 -1.26 -3.75 115.64 105.09 2qpq s THR 127 Ca 0.60 0.22 -0.09 0.00 -1.18 0.00 0.00 61.69 61.24 2qpq s THR 127 Cb -0.10 -2.49 0.01 0.00 1.34 0.00 0.00 72.50 71.26 2qpq s THR 127 CO 0.22 -0.28 1.13 0.59 -0.54 0.00 0.00 174.62 175.74 2qpq n ASN 128 N -3.94 -6.32 -4.76 3.99 5.03 -1.26 -5.00 115.26 103.00 2qpq n ASN 128 Ca 0.10 -0.53 -0.23 0.00 0.87 0.00 0.00 54.58 54.79 2qpq n ASN 128 Cb 0.53 -4.99 -0.06 0.00 -1.02 0.00 0.00 39.78 34.24 2qpq n ASN 128 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 2qpq s THR 129 N -3.31 2.81 -0.19 3.41 -4.23 -1.25 -5.08 115.64 107.81 2qpq s THR 129 Ca 0.57 -1.64 0.12 0.00 -1.18 0.00 0.00 61.69 59.56 2qpq s THR 129 Cb -0.25 -2.99 0.41 0.00 1.34 0.00 0.00 72.50 71.01 2qpq s THR 129 CO 0.70 -0.11 1.21 0.00 -0.54 0.00 0.00 174.62 175.88 2qpq n GLN 130 N -1.23 1.46 -2.36 3.99 3.00 -1.26 -4.87 117.38 116.11 2qpq n GLN 130 Ca -0.02 -3.18 -0.43 0.00 -0.01 0.00 0.00 57.00 53.36 2qpq n GLN 130 Cb 0.62 -1.50 -0.02 0.00 0.00 0.00 0.00 30.24 29.34 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 -2.99 3.93 0.03 5.09 1.01 -1.26 -4.95 120.40 121.26 2qpq s VAL 131 Ca 0.37 0.96 0.01 0.00 0.00 0.00 0.00 61.98 63.32 2qpq s VAL 131 Cb 0.37 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 2qpq s VAL 131 CO -0.07 -0.74 0.08 -0.89 0.00 0.00 0.00 175.10 173.48 2qpq s THR 132 N 5.32 4.64 -0.03 3.92 2.01 -1.26 0.34 115.64 130.58 2qpq s THR 132 Ca 0.61 -0.57 -0.01 0.00 0.31 0.00 0.00 61.69 62.03 2qpq s THR 132 Cb -0.14 -3.17 0.03 0.00 0.01 0.00 0.00 72.50 69.23 2qpq s THR 132 CO 0.32 0.25 0.05 -0.72 -0.69 0.00 0.00 174.62 173.83 2qpq s TYR 133 N -1.28 -0.01 0.52 4.92 -0.85 0.74 -4.14 117.35 117.24 2qpq s TYR 133 Ca 0.26 0.18 -0.18 0.00 -0.52 0.00 0.00 57.07 56.80 2qpq s TYR 133 Cb -0.12 -0.17 -0.07 0.00 0.38 0.00 0.00 41.96 41.98 2qpq s TYR 133 CO 0.18 -0.09 1.03 0.20 -1.52 0.00 0.00 175.55 175.34 2qpq s GLY 134 N 0.91 2.31 0.33 5.49 0.00 -0.14 0.39 107.32 116.61 2qpq s GLY 134 Ca -0.07 0.45 0.07 0.00 0.00 0.00 0.00 44.72 45.17 2qpq s GLY 134 CO -0.03 0.76 0.29 -1.35 0.00 0.00 0.00 173.10 172.77 2qpq s SER 135 N -2.43 1.68 0.00 1.64 1.04 -1.13 -0.33 113.70 114.17 2qpq s SER 135 Ca 0.64 -1.76 0.19 0.00 0.48 0.00 0.00 55.95 55.51 2qpq s SER 135 Cb -0.14 0.56 1.05 0.00 0.10 0.00 0.00 66.02 67.59 2qpq s SER 135 CO 0.26 -1.07 1.58 0.00 0.98 0.00 0.00 173.24 174.99 2qpq n GLY 137 N 0.29 4.10 3.68 0.00 0.00 -1.14 -1.69 105.19 110.42 2qpq n GLY 137 Ca 0.11 -1.20 -0.47 0.00 0.00 0.00 0.00 46.02 44.47 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 3.52 0.00 1.61 4.05 -1.26 -1.73 115.26 121.44 2qpq n ASN 138 Ca 0.00 0.99 0.00 0.00 0.45 0.00 0.00 54.58 56.02 2qpq n ASN 138 Cb 0.00 -1.41 0.00 0.00 1.23 0.00 0.00 39.78 39.60 2qpq n ASN 138 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2qpq n GLY 139 N 4.23 0.56 3.82 8.20 0.00 -1.26 -5.04 105.19 115.71 2qpq n GLY 139 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.33 3.85 0.52 2.61 -4.23 -0.71 -4.85 115.64 110.51 2qpq s THR 140 Ca 0.00 0.60 0.22 0.00 -1.18 0.00 0.00 61.69 61.33 2qpq s THR 140 Cb 0.00 -3.36 0.36 0.00 1.34 0.00 0.00 72.50 70.83 2qpq s THR 140 CO 0.00 -0.78 2.04 -0.65 -0.54 0.00 0.00 174.62 174.69 2qpq h PRO 141 N -0.77 0.01 -0.04 3.99 0.11 -1.91 -1.38 132.00 132.00 2qpq h PRO 141 Ca -0.44 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 2qpq h PRO 141 Cb 1.22 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 2qpq h PRO 141 CO 0.58 0.01 -0.02 1.96 -0.21 0.00 0.00 178.00 180.32 2qpq h GLN 142 N 0.01 0.09 -0.45 1.05 7.50 -1.91 -1.57 115.11 119.84 2qpq h GLN 142 Ca 0.17 -0.04 0.09 0.00 0.50 0.00 0.00 58.65 59.37 2qpq h GLN 142 Cb 0.68 -0.00 -0.10 0.00 0.05 0.00 0.00 27.48 28.11 2qpq h GLN 142 CO -0.00 0.48 -0.26 1.25 -1.50 0.00 0.00 178.83 178.79 2qpq h HIS 143 N -0.30 -0.70 0.00 2.96 -0.00 -1.70 -2.57 115.15 112.85 2qpq h HIS 143 Ca 0.01 0.05 -0.03 0.00 -0.00 0.00 0.00 60.37 60.41 2qpq h HIS 143 Cb 0.45 0.37 -0.00 0.00 -0.00 0.00 0.00 27.41 28.23 2qpq h HIS 143 CO 0.07 -0.34 -0.14 -0.07 -0.00 0.00 0.00 177.93 177.45 2qpq h LEU 144 N -0.17 0.00 -0.97 0.26 3.38 -1.17 -1.35 115.31 115.29 2qpq h LEU 144 Ca 0.20 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 2qpq h LEU 144 Cb 0.50 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 2qpq h LEU 144 CO -0.55 0.14 0.29 0.00 0.09 0.00 0.00 178.44 178.41 2qpq h ALA 145 N 1.86 1.18 -0.20 1.53 0.00 -0.88 0.46 119.26 123.22 2qpq h ALA 145 Ca -0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2qpq h ALA 145 Cb 0.26 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2qpq h ALA 145 CO 0.02 0.60 0.04 0.78 0.00 0.00 0.00 179.25 180.68 2qpq h GLY 146 N 1.08 0.35 1.28 0.00 0.00 -1.08 -2.16 103.07 102.54 2qpq h GLY 146 Ca 0.24 -0.23 -0.10 0.00 0.00 0.00 0.00 47.33 47.24 2qpq h GLY 146 CO -0.02 0.21 -0.09 0.83 0.00 0.00 0.00 176.54 177.47 2qpq h GLU 147 N 0.13 0.85 -0.72 4.80 4.39 -0.92 -1.42 114.58 121.68 2qpq h GLU 147 Ca 0.06 -0.28 -0.02 0.00 0.34 0.00 0.00 59.36 59.45 2qpq h GLU 147 Cb 0.30 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 2qpq h GLU 147 CO 0.00 0.91 0.35 1.25 -1.16 0.00 0.00 179.01 180.36 2qpq h LEU 148 N 0.77 0.93 -0.36 1.33 5.85 -0.10 0.32 115.31 124.05 2qpq h LEU 148 Ca 0.13 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 2qpq h LEU 148 Cb 0.59 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 2qpq h LEU 148 CO 0.04 0.78 0.02 0.25 -0.34 0.00 0.00 178.44 179.19 2qpq h LEU 149 N 1.02 0.60 -0.31 2.25 5.85 -0.95 0.32 115.31 124.10 2qpq h LEU 149 Ca 0.25 -0.29 0.06 0.00 0.84 0.00 0.00 57.88 58.73 2qpq h LEU 149 Cb 0.09 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 2qpq h LEU 149 CO -0.03 0.75 -0.01 0.78 -0.34 0.00 0.00 178.44 179.58 2qpq h ASN 150 N 0.44 -0.15 -0.39 1.25 -0.26 -0.81 0.22 115.58 115.88 2qpq h ASN 150 Ca 0.10 0.08 -0.06 0.00 -0.56 0.00 0.00 56.30 55.86 2qpq h ASN 150 Cb 0.43 0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.81 2qpq h ASN 150 CO 0.01 -0.04 0.02 0.58 -1.06 0.00 0.00 177.43 176.94 2qpq h VAL 151 N 0.08 1.25 0.05 2.81 2.07 -0.79 0.30 116.25 122.02 2qpq h VAL 151 Ca 0.15 -0.96 -0.27 0.00 0.82 0.00 0.00 66.70 66.44 2qpq h VAL 151 Cb 0.21 1.12 0.02 0.00 -1.52 0.00 0.00 31.29 31.12 2qpq h VAL 151 CO -0.27 0.32 -1.12 0.28 0.02 0.00 0.00 177.57 176.81 2qpq h SER 152 N 0.50 0.84 0.22 0.57 0.02 -0.65 -3.26 113.55 111.80 2qpq h SER 152 Ca 0.11 -0.71 0.00 0.00 -0.84 0.00 0.00 61.79 60.35 2qpq h SER 152 Cb 0.44 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.72 2qpq h SER 152 CO 0.02 1.52 -0.37 0.00 -1.14 0.00 0.00 176.83 176.86 2qpq n ALA 153 N -2.64 3.31 -3.14 3.77 0.00 0.76 -4.99 120.51 117.58 2qpq n ALA 153 Ca -0.11 -0.45 -0.14 0.00 0.00 0.00 0.00 53.44 52.74 2qpq n ALA 153 Cb 0.92 -1.06 0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.70 -2.63 -4.44 0.00 5.02 -0.42 -5.03 118.16 109.96 2qpq n LYS 154 Ca 0.10 0.80 -0.21 0.00 -2.02 0.00 0.00 58.31 56.98 2qpq n LYS 154 Cb 0.37 -5.51 -0.11 0.00 -0.02 0.00 0.00 35.03 29.76 2qpq n LYS 154 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2qpq s THR 155 N -3.36 1.15 -0.29 -0.18 2.01 -0.04 -4.79 115.64 110.15 2qpq s THR 155 Ca 0.36 -2.00 0.18 0.00 0.31 0.00 0.00 61.69 60.54 2qpq s THR 155 Cb -0.05 -2.77 0.48 0.00 0.01 0.00 0.00 72.50 70.18 2qpq s THR 155 CO 0.68 -0.01 1.09 1.41 -0.69 0.00 0.00 174.62 177.09 2qpq n HIS 156 N -0.66 1.65 -2.01 4.92 8.25 0.14 -4.61 115.22 122.89 2qpq n HIS 156 Ca -0.02 -2.37 -0.38 0.00 -0.26 0.00 0.00 57.72 54.68 2qpq n HIS 156 Cb 0.66 -0.27 0.01 0.00 1.12 0.00 0.00 29.99 31.51 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 -3.60 3.59 -0.24 -0.41 -1.94 -1.26 -4.68 119.30 110.77 2qpq s MET 157 Ca 0.33 2.07 -0.06 0.00 -1.71 0.00 0.00 55.69 56.32 2qpq s MET 157 Cb 0.37 -2.46 -0.02 0.00 2.01 0.00 0.00 34.83 34.73 2qpq s MET 157 CO -0.02 -0.78 0.02 0.08 -0.01 0.00 0.00 175.02 174.32 2qpq s VAL 158 N -1.37 3.94 0.02 -6.03 1.01 0.15 -4.96 120.40 113.16 2qpq s VAL 158 Ca 0.64 -0.30 -0.30 0.00 0.00 0.00 0.00 61.98 62.02 2qpq s VAL 158 Cb -0.36 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 2qpq s VAL 158 CO 0.44 0.37 1.16 -2.28 0.00 0.00 0.00 175.10 174.80 2qpq s HIS 159 N 1.55 3.40 -0.28 5.22 5.04 -1.26 -0.19 115.29 128.77 2qpq s HIS 159 Ca 0.06 1.34 0.00 0.00 -1.54 0.00 0.00 55.06 54.93 2qpq s HIS 159 Cb -0.15 -3.37 0.05 0.00 0.04 0.00 0.00 32.58 29.15 2qpq s HIS 159 CO 0.01 -1.08 -0.05 0.08 -2.34 0.00 0.00 174.74 171.36 2qpq s VAL 160 N 1.40 2.62 0.39 0.89 1.01 0.16 -4.88 120.40 121.98 2qpq s VAL 160 Ca 0.57 -1.46 -0.23 0.00 0.00 0.00 0.00 61.98 60.85 2qpq s VAL 160 Cb -0.27 -2.50 -0.10 0.00 0.00 0.00 0.00 36.38 33.51 2qpq s VAL 160 CO 0.27 -0.04 0.98 -2.16 0.00 0.00 0.00 175.10 174.14 2qpq s PRO 161 N 1.19 4.31 0.32 2.72 0.04 -1.26 -2.84 135.00 139.48 2qpq s PRO 161 Ca -0.06 1.30 0.08 0.00 0.04 0.00 0.00 61.00 62.36 2qpq s PRO 161 Cb -0.20 -2.48 -0.06 0.00 0.04 0.00 0.00 34.50 31.80 2qpq s PRO 161 CO -0.03 0.03 -0.08 0.71 0.04 0.00 0.00 177.00 177.67 2qpq s TYR 162 N -1.85 2.23 -1.23 0.56 2.02 -0.98 -4.89 117.35 113.21 2qpq s TYR 162 Ca 0.57 -0.58 -0.11 0.00 -0.37 0.00 0.00 57.07 56.57 2qpq s TYR 162 Cb -0.16 -1.29 0.18 0.00 -0.40 0.00 0.00 41.96 40.29 2qpq s TYR 162 CO 0.21 0.46 1.61 1.17 -1.57 0.00 0.00 175.55 177.42 2qpq n LYS 163 N -0.72 3.51 0.00 -0.62 4.81 -1.26 -2.88 118.16 121.01 2qpq n LYS 163 Ca -0.05 -3.76 0.00 0.00 -0.87 0.00 0.00 58.31 53.63 2qpq n LYS 163 Cb 0.64 -2.96 0.00 0.00 0.02 0.00 0.00 35.03 32.72 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 3.43 1.39 0.16 3.14 0.00 -0.68 -4.47 105.19 108.16 2qpq n GLY 164 Ca 0.37 -2.01 0.03 0.00 0.00 0.00 0.00 46.02 44.42 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 2.38 -1.06 0.73 0.00 0.00 -1.97 0.70 103.07 103.85 2qpq h GLY 166 Ca -0.00 0.49 0.09 0.00 0.00 0.00 0.00 47.33 47.91 2qpq h GLY 166 CO 0.06 -0.33 0.59 -2.55 0.00 0.00 0.00 176.54 174.31 2qpq h PRO 167 N -0.55 0.90 -0.06 4.80 0.11 -1.78 0.11 132.00 135.53 2qpq h PRO 167 Ca -0.03 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.03 2qpq h PRO 167 Cb 0.49 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.39 2qpq h PRO 167 CO -0.06 0.60 0.04 0.00 -0.21 0.00 0.00 178.00 178.37 2qpq h ALA 168 N 1.54 0.08 -0.73 -0.75 0.00 -1.44 -2.59 119.26 115.37 2qpq h ALA 168 Ca 0.42 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 2qpq h ALA 168 Cb 0.37 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2qpq h ALA 168 CO -0.18 -0.42 0.43 -0.07 0.00 0.00 0.00 179.25 179.01 2qpq h LEU 169 N 0.07 0.89 -0.56 0.00 3.38 -0.25 -1.44 115.31 117.41 2qpq h LEU 169 Ca 0.02 -0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.03 2qpq h LEU 169 Cb 0.00 -0.22 -0.10 0.00 0.09 0.00 0.00 40.66 40.43 2qpq h LEU 169 CO -0.00 0.70 -0.04 0.78 0.09 0.00 0.00 178.44 179.96 2qpq h ASN 170 N 1.00 -0.33 -0.03 -0.43 -0.26 -0.68 0.55 115.58 115.40 2qpq h ASN 170 Ca 0.26 0.15 -0.17 0.00 -0.56 0.00 0.00 56.30 55.97 2qpq h ASN 170 Cb -0.01 0.27 -0.00 0.00 -1.06 0.00 0.00 38.32 37.52 2qpq h ASN 170 CO -0.05 -0.12 -0.58 0.44 -1.06 0.00 0.00 177.43 176.06 2qpq h ASP 171 N 0.08 0.71 -0.19 5.81 5.19 -1.06 -0.97 116.42 125.99 2qpq h ASP 171 Ca 0.28 -0.39 -0.19 0.00 -0.62 0.00 0.00 57.03 56.12 2qpq h ASP 171 Cb 0.44 -0.20 0.01 0.00 0.18 0.00 0.00 39.33 39.76 2qpq h ASP 171 CO -0.51 1.13 -0.61 1.62 -3.12 0.00 0.00 179.24 177.75 2qpq h VAL 172 N 0.48 1.30 -0.94 -1.35 3.04 -0.79 0.38 116.25 118.36 2qpq h VAL 172 Ca 0.00 -1.83 0.06 0.00 -1.01 0.00 0.00 66.70 63.92 2qpq h VAL 172 Cb 1.14 1.91 -0.06 0.00 -2.01 0.00 0.00 31.29 32.28 2qpq h VAL 172 CO 0.11 0.58 0.61 -0.07 -1.01 0.00 0.00 177.57 177.79 2qpq h LEU 173 N 0.46 0.97 -1.83 3.16 3.38 0.23 -1.79 115.31 119.89 2qpq h LEU 173 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2qpq h LEU 173 Cb 1.24 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2qpq h LEU 173 CO 0.13 0.63 0.00 0.61 0.09 0.00 0.00 178.44 179.90 2qpq n GLY 174 N -1.39 1.34 2.51 0.83 0.00 -0.38 -4.94 105.19 103.16 2qpq n GLY 174 Ca 0.14 -0.52 -0.18 0.00 0.00 0.00 0.00 46.02 45.47 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 0.81 -5.12 0.17 1.61 7.64 -0.67 -4.87 113.62 113.20 2qpq n SER 175 Ca 0.16 0.43 0.04 0.00 1.01 0.00 0.00 58.87 60.51 2qpq n SER 175 Cb 0.45 -4.17 0.28 0.00 -1.01 0.00 0.00 64.21 59.76 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 -4.76 1.43 1.08 -0.54 -3.43 115.11 108.90 2qpq h GLN 176 Ca -0.36 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 56.52 2qpq h GLN 176 Cb 1.15 0.00 -0.22 0.00 -0.05 0.00 0.00 27.48 28.36 2qpq h GLN 176 CO 0.53 0.43 -0.75 -1.50 -0.95 0.00 0.00 178.83 176.58 2qpq s ILE 177 N -3.53 0.69 -2.43 2.54 2.07 -1.02 -5.00 121.20 114.52 2qpq s ILE 177 Ca 0.00 -1.03 0.27 0.00 -1.41 0.00 0.00 60.65 58.48 2qpq s ILE 177 Cb 0.11 -0.71 0.44 0.00 0.13 0.00 0.00 42.46 42.43 2qpq s ILE 177 CO 0.70 -0.27 1.63 0.61 -1.91 0.00 0.00 174.94 175.70 2qpq n GLY 178 N 1.61 0.04 3.61 1.50 0.00 -1.26 -4.14 105.19 106.55 2qpq n GLY 178 Ca -0.21 -0.48 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.10 -0.65 0.05 0.99 2.96 -1.26 -4.32 118.68 114.36 2qpq s LEU 179 Ca 0.34 1.14 -0.04 0.00 -0.22 0.00 0.00 54.13 55.35 2qpq s LEU 179 Cb 0.20 2.32 -0.02 0.00 0.50 0.00 0.00 46.19 49.20 2qpq s LEU 179 CO 0.37 -0.29 0.06 0.00 -1.32 0.00 0.00 176.35 175.17 2qpq s ALA 180 N -0.00 0.12 -0.24 5.97 0.00 -0.40 -0.97 121.76 126.24 2qpq s ALA 180 Ca -0.01 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.16 2qpq s ALA 180 Cb -0.04 0.30 0.04 0.00 0.00 0.00 0.00 23.12 23.42 2qpq s ALA 180 CO 0.01 -0.37 -0.12 0.08 0.00 0.00 0.00 175.76 175.36 2qpq s VAL 181 N -3.29 2.33 0.23 0.00 1.01 0.55 -0.97 120.40 120.26 2qpq s VAL 181 Ca 0.01 -1.29 0.01 0.00 0.00 0.00 0.00 61.98 60.70 2qpq s VAL 181 Cb 0.03 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 2qpq s VAL 181 CO -0.08 0.18 0.10 0.68 0.00 0.00 0.00 175.10 175.98 2qpq s VAL 182 N 1.21 0.40 0.47 2.92 -7.23 -0.88 -3.65 120.40 113.63 2qpq s VAL 182 Ca -0.03 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 57.90 2qpq s VAL 182 Cb -0.17 -2.53 -0.08 0.00 0.56 0.00 0.00 36.38 34.16 2qpq s VAL 182 CO -0.07 -0.06 1.40 0.42 -0.31 0.00 0.00 175.10 176.48 2qpq s THR 183 N -3.87 2.14 0.33 5.32 -4.23 -1.26 -0.56 115.64 113.50 2qpq s THR 183 Ca 0.36 0.12 0.04 0.00 -1.18 0.00 0.00 61.69 61.03 2qpq s THR 183 Cb 0.07 -3.07 0.29 0.00 1.34 0.00 0.00 72.50 71.14 2qpq s THR 183 CO 0.12 0.01 1.91 0.00 -0.54 0.00 0.00 174.62 176.12 2qpq h ALA 184 N 2.18 1.63 -0.78 3.99 0.00 -0.82 -2.40 119.26 123.06 2qpq h ALA 184 Ca -0.51 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 2qpq h ALA 184 Cb 1.27 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 2qpq h ALA 184 CO 0.60 0.21 0.33 0.66 0.00 0.00 0.00 179.25 181.05 2qpq h SER 185 N 0.89 1.06 -0.19 0.00 4.64 -1.82 0.01 113.55 118.13 2qpq h SER 185 Ca 0.39 -0.16 -0.12 0.00 -0.47 0.00 0.00 61.79 61.43 2qpq h SER 185 Cb 0.35 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 2qpq h SER 185 CO -0.16 0.93 -0.30 0.77 -0.87 0.00 0.00 176.83 177.20 2qpq h SER 186 N 1.12 0.71 0.90 4.97 4.64 -1.76 -3.29 113.55 120.84 2qpq h SER 186 Ca 0.26 -0.28 -0.23 0.00 -0.47 0.00 0.00 61.79 61.08 2qpq h SER 186 Cb 0.19 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.05 2qpq h SER 186 CO -0.02 0.97 -1.13 0.00 -0.87 0.00 0.00 176.83 175.77 2qpq h ALA 187 N 1.08 0.43 -0.47 5.18 0.00 -1.12 -3.39 119.26 120.97 2qpq h ALA 187 Ca 0.07 -1.01 0.09 0.00 0.00 0.00 0.00 54.91 54.05 2qpq h ALA 187 Cb 0.81 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.48 2qpq h ALA 187 CO 0.07 1.31 -0.01 0.82 0.00 0.00 0.00 179.25 181.44 2qpq h ILE 188 N 0.00 0.63 -0.73 0.00 2.04 -1.07 -0.52 117.51 117.86 2qpq h ILE 188 Ca -0.06 -0.04 0.16 0.00 1.00 0.00 0.00 64.86 65.92 2qpq h ILE 188 Cb 1.82 0.52 -0.11 0.00 -0.74 0.00 0.00 36.82 38.30 2qpq h ILE 188 CO 0.12 0.02 0.16 -0.65 0.00 0.00 0.00 178.15 177.80 2qpq h PRO 189 N 0.10 0.24 -0.03 2.37 0.11 -1.78 0.82 132.00 133.84 2qpq h PRO 189 Ca 0.23 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 66.14 2qpq h PRO 189 Cb 0.35 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 2qpq h PRO 189 CO -0.39 0.16 -0.80 0.74 -0.21 0.00 0.00 178.00 177.50 2qpq h PHE 190 N 0.25 0.40 -0.44 0.65 0.04 -1.40 -0.18 116.94 116.26 2qpq h PHE 190 Ca 0.41 -0.20 -0.06 0.00 2.80 0.00 0.00 57.97 60.92 2qpq h PHE 190 Cb 0.69 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.77 2qpq h PHE 190 CO -0.27 0.97 0.05 0.82 -0.60 0.00 0.00 178.31 179.27 2qpq h ILE 191 N 0.18 1.25 -0.48 -0.55 2.04 -0.79 0.34 117.51 119.50 2qpq h ILE 191 Ca -0.04 -0.95 -0.08 0.00 1.00 0.00 0.00 64.86 64.79 2qpq h ILE 191 Cb 1.39 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 38.46 2qpq h ILE 191 CO 0.13 0.33 -0.04 0.11 0.00 0.00 0.00 178.15 178.68 2qpq h LYS 192 N 0.60 0.83 0.00 2.37 1.79 -0.66 -2.08 116.57 119.42 2qpq h LYS 192 Ca 0.13 -0.25 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 2qpq h LYS 192 Cb 0.42 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 2qpq h LYS 192 CO 0.01 0.85 0.00 0.00 -1.08 0.00 0.00 179.45 179.24 2qpq n ALA 193 N -2.48 2.11 -1.36 3.86 0.00 -0.10 -4.88 120.51 117.67 2qpq n ALA 193 Ca 0.02 -0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.24 2qpq n ALA 193 Cb 0.33 -1.31 -0.05 0.00 0.00 0.00 0.00 19.45 18.43 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 0.23 1.21 0.15 0.00 0.00 -0.78 -4.92 105.19 101.07 2qpq n GLY 194 Ca 0.12 -0.50 0.11 0.00 0.00 0.00 0.00 46.02 45.75 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 -4.78 1.61 1.57 -0.55 -3.44 116.57 110.97 2qpq h LYS 195 Ca -0.23 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.25 2qpq h LYS 195 Cb 0.76 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.87 2qpq h LYS 195 CO 0.34 0.01 -0.73 -0.51 -0.57 0.00 0.00 179.45 177.99 2qpq s LEU 196 N -5.64 2.33 0.01 2.94 1.43 -1.14 -1.98 118.68 116.63 2qpq s LEU 196 Ca 0.02 -0.69 0.04 0.00 -1.03 0.00 0.00 54.13 52.47 2qpq s LEU 196 Cb 0.08 -0.23 -0.03 0.00 0.03 0.00 0.00 46.19 46.04 2qpq s LEU 196 CO 0.75 -0.24 -0.11 -1.10 0.23 0.00 0.00 176.35 175.88 2qpq s GLN 197 N -2.22 2.41 -0.16 1.70 -1.52 -0.39 -4.34 119.66 115.14 2qpq s GLN 197 Ca -0.02 -0.79 -0.06 0.00 -1.95 0.00 0.00 55.36 52.54 2qpq s GLN 197 Cb -0.06 -2.39 -0.04 0.00 -0.22 0.00 0.00 33.01 30.30 2qpq s GLN 197 CO -0.00 0.59 0.05 0.00 -0.25 0.00 0.00 175.29 175.67 2qpq s ALA 198 N -0.93 3.38 -0.13 6.09 0.00 -1.26 -1.03 121.76 127.87 2qpq s ALA 198 Ca 0.15 -0.75 0.18 0.00 0.00 0.00 0.00 51.96 51.54 2qpq s ALA 198 Cb -0.11 -1.82 -0.17 0.00 0.00 0.00 0.00 23.12 21.02 2qpq s ALA 198 CO 0.06 0.27 0.68 1.28 0.00 0.00 0.00 175.76 178.05 2qpq n LEU 199 N 3.23 0.61 -3.59 0.00 4.77 0.20 -4.90 117.00 117.33 2qpq n LEU 199 Ca -0.17 0.26 -0.08 0.00 -0.03 0.00 0.00 56.01 55.99 2qpq n LEU 199 Cb 0.53 0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.69 2qpq n LEU 199 CO 0.34 0.15 0.86 0.00 -1.33 0.00 0.00 177.39 177.41 2qpq s ALA 200 N -2.98 -1.97 0.21 -1.18 0.00 -1.25 -4.00 121.76 110.58 2qpq s ALA 200 Ca -0.05 1.62 0.09 0.00 0.00 0.00 0.00 51.96 53.62 2qpq s ALA 200 Cb 0.09 -0.78 -0.04 0.00 0.00 0.00 0.00 23.12 22.39 2qpq s ALA 200 CO 0.83 -0.33 -0.04 0.14 0.00 0.00 0.00 175.76 176.35 2qpq s VAL 201 N -1.28 3.41 -2.49 0.00 -7.23 -0.18 -1.16 120.40 111.46 2qpq s VAL 201 Ca 0.01 -1.69 0.25 0.00 -1.81 0.00 0.00 61.98 58.74 2qpq s VAL 201 Cb -0.01 -2.74 0.22 0.00 0.56 0.00 0.00 36.38 34.41 2qpq s VAL 201 CO -0.01 -0.20 1.35 0.41 -0.31 0.00 0.00 175.10 176.33 2qpq n THR 202 N -0.32 0.00 -1.81 5.32 -1.04 -0.49 -0.28 114.28 115.66 2qpq n THR 202 Ca -0.09 -0.34 -0.30 0.00 -2.04 0.00 0.00 64.05 61.28 2qpq n THR 202 Cb 0.57 1.11 0.06 0.00 -1.82 0.00 0.00 70.33 70.24 2qpq n THR 202 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2qpq s SER 203 N -2.19 5.18 0.42 8.00 1.04 -1.26 -0.55 113.70 124.34 2qpq s SER 203 Ca 0.27 1.15 0.25 0.00 0.48 0.00 0.00 55.95 58.10 2qpq s SER 203 Cb 0.20 -1.91 0.56 0.00 0.10 0.00 0.00 66.02 64.96 2qpq s SER 203 CO 0.41 -1.51 1.69 0.07 0.98 0.00 0.00 173.24 174.87 2qpq h LYS 204 N -0.77 0.00 -6.48 4.02 2.10 -1.91 -3.42 116.57 110.11 2qpq h LYS 204 Ca -0.45 0.00 -0.64 0.00 -2.00 0.00 0.00 60.65 57.56 2qpq h LYS 204 Cb 1.26 0.00 -0.17 0.00 -0.90 0.00 0.00 32.23 32.42 2qpq h LYS 204 CO 0.63 0.00 -0.81 -1.21 -2.00 0.00 0.00 179.45 176.06 2qpq s GLU 205 N -3.26 1.54 0.57 0.07 8.01 -1.26 -4.98 118.70 119.39 2qpq s GLU 205 Ca 0.07 -1.58 -0.20 0.00 0.01 0.00 0.00 54.97 53.27 2qpq s GLU 205 Cb 0.07 -1.80 -0.06 0.00 -4.31 0.00 0.00 34.13 28.03 2qpq s GLU 205 CO 0.64 0.38 1.04 0.54 0.01 0.00 0.00 175.26 177.87 2qpq n ARG 206 N 0.05 1.10 -2.82 1.61 1.74 -1.26 -4.90 116.66 112.19 2qpq n ARG 206 Ca -0.11 0.42 -0.41 0.00 -0.77 0.00 0.00 57.85 56.98 2qpq n ARG 206 Cb 0.57 -2.23 -0.04 0.00 -1.02 0.00 0.00 32.46 29.74 2qpq n ARG 206 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2qpq s SER 207 N -1.12 7.35 0.47 0.55 0.15 -1.26 -4.97 113.70 114.87 2qpq s SER 207 Ca 0.73 1.62 0.14 0.00 0.70 0.00 0.00 55.95 59.14 2qpq s SER 207 Cb -0.44 -2.54 1.11 0.00 -1.71 0.00 0.00 66.02 62.45 2qpq s SER 207 CO 0.49 -0.09 2.07 0.00 1.20 0.00 0.00 173.24 176.91 2qpq h ALA 208 N 5.97 1.97 -0.01 5.45 0.00 -1.93 0.79 119.26 131.51 2qpq h ALA 208 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2qpq h ALA 208 Cb 1.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2qpq h ALA 208 CO 0.73 -0.03 -0.39 1.28 0.00 0.00 0.00 179.25 180.84 2qpq n LEU 209 N -4.49 0.89 -2.70 0.00 4.77 -1.26 -3.93 117.00 110.27 2qpq n LEU 209 Ca 0.03 -0.20 -0.25 0.00 -0.03 0.00 0.00 56.01 55.56 2qpq n LEU 209 Cb 0.20 -0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.12 2qpq n LEU 209 CO 0.35 0.18 0.12 0.18 -1.33 0.00 0.00 177.39 176.89 2qpq n LEU 210 N -0.96 4.11 0.32 2.23 4.77 0.26 -4.93 117.00 122.80 2qpq n LEU 210 Ca 0.09 -5.24 0.20 0.00 -0.03 0.00 0.00 56.01 51.03 2qpq n LEU 210 Cb 0.35 -0.35 1.09 0.00 -2.33 0.00 0.00 43.42 42.18 2qpq n LEU 210 CO 0.30 2.23 1.15 1.55 -1.33 0.00 0.00 177.39 181.29 2qpq h PRO 211 N 2.78 0.00 0.00 3.23 0.13 -1.64 -1.24 132.00 135.27 2qpq h PRO 211 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2qpq h PRO 211 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2qpq h PRO 211 CO 0.79 0.01 -0.64 0.39 -0.23 0.00 0.00 178.00 178.32 2qpq n GLU 212 N -3.30 0.11 -2.92 0.86 4.71 -1.26 -4.84 120.64 114.01 2qpq n GLU 212 Ca -0.03 0.02 -0.42 0.00 -0.01 0.00 0.00 57.16 56.72 2qpq n GLU 212 Cb 0.10 -1.56 -0.05 0.00 -1.01 0.00 0.00 31.44 28.93 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 -3.07 4.82 0.66 2.62 0.11 -0.47 -5.03 120.40 120.04 2qpq s VAL 213 Ca 0.09 1.38 -0.15 0.00 -2.93 0.00 0.00 61.98 60.37 2qpq s VAL 213 Cb 0.16 -4.12 -0.00 0.00 -1.53 0.00 0.00 36.38 30.88 2qpq s VAL 213 CO 0.73 -0.15 1.11 -2.84 -3.33 0.00 0.00 175.10 170.62 2qpq s PRO 214 N 2.89 2.81 0.64 1.54 0.02 -1.26 -4.61 135.00 137.03 2qpq s PRO 214 Ca 0.33 1.39 -0.17 0.00 0.02 0.00 0.00 61.00 62.57 2qpq s PRO 214 Cb -0.15 -1.95 -0.01 0.00 0.02 0.00 0.00 34.50 32.41 2qpq s PRO 214 CO 0.10 -1.25 1.19 0.99 -0.33 0.00 0.00 177.00 177.71 2qpq s THR 215 N -2.34 2.62 0.23 0.99 2.01 -1.26 -1.01 115.64 116.88 2qpq s THR 215 Ca 0.67 0.35 -0.07 0.00 0.31 0.00 0.00 61.69 62.94 2qpq s THR 215 Cb -0.20 -3.02 0.19 0.00 0.01 0.00 0.00 72.50 69.48 2qpq s THR 215 CO 0.41 -0.12 1.85 0.58 -0.69 0.00 0.00 174.62 176.66 2qpq h VAL 216 N 0.42 1.08 -0.88 3.82 2.07 -0.88 -3.09 116.25 118.78 2qpq h VAL 216 Ca -0.49 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.71 2qpq h VAL 216 Cb 1.29 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 2qpq h VAL 216 CO 0.53 0.17 0.56 0.00 0.02 0.00 0.00 177.57 178.86 2qpq h ALA 217 N 1.36 1.12 0.00 1.67 0.00 -1.76 -0.57 119.26 121.09 2qpq h ALA 217 Ca 0.34 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2qpq h ALA 217 Cb 0.09 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.52 2qpq h ALA 217 CO -0.14 0.54 0.00 -0.85 0.00 0.00 0.00 179.25 178.80 2qpq n GLU 218 N -4.45 0.44 -1.29 0.00 0.28 -1.17 -2.25 120.64 112.20 2qpq n GLU 218 Ca 0.09 0.05 -0.30 0.00 -0.16 0.00 0.00 57.16 56.84 2qpq n GLU 218 Cb 0.03 -1.50 0.12 0.00 1.43 0.00 0.00 31.44 31.52 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 -1.22 2.51 -3.31 3.44 6.02 -0.23 -4.88 117.38 119.70 2qpq n GLN 219 Ca 0.13 -3.18 -0.43 0.00 -0.01 0.00 0.00 57.00 53.51 2qpq n GLN 219 Cb 0.17 -2.24 -0.08 0.00 1.02 0.00 0.00 30.24 29.11 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 -1.63 1.91 -0.84 1.08 0.00 -1.25 -4.71 107.32 101.87 2qpq s GLY 220 Ca 0.61 -1.68 0.01 0.00 0.00 0.00 0.00 44.72 43.66 2qpq s GLY 220 CO 0.04 1.18 0.77 -0.62 0.00 0.00 0.00 173.10 174.47 2qpq n VAL 221 N 5.41 2.81 -1.59 1.40 0.31 -0.96 -5.03 118.33 120.68 2qpq n VAL 221 Ca -0.08 -5.13 -0.49 0.00 -0.01 0.00 0.00 64.34 58.62 2qpq n VAL 221 Cb 0.46 -2.29 -0.05 0.00 -0.91 0.00 0.00 33.84 31.06 2qpq n VAL 221 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qpq n ALA 222 N 1.99 -0.68 0.00 3.52 0.00 -1.25 -2.07 120.51 122.02 2qpq n ALA 222 Ca 0.23 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.14 2qpq n ALA 222 Cb 0.37 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.76 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 2.20 2.42 3.69 0.00 0.00 -1.26 -5.01 105.19 107.23 2qpq n GLY 223 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.38 2.65 -0.06 1.61 6.14 -0.88 -5.00 117.35 119.42 2qpq s TYR 224 Ca 0.00 0.57 -0.18 0.00 0.64 0.00 0.00 57.07 58.10 2qpq s TYR 224 Cb 0.00 -3.82 0.04 0.00 0.42 0.00 0.00 41.96 38.60 2qpq s TYR 224 CO 0.00 -3.18 0.41 -1.83 0.64 0.00 0.00 175.55 171.59 2qpq s GLU 225 N 2.47 0.69 -0.51 4.97 -1.05 -1.26 -4.35 118.70 119.66 2qpq s GLU 225 Ca 0.69 0.10 0.07 0.00 -0.15 0.00 0.00 54.97 55.68 2qpq s GLU 225 Cb -0.36 0.32 0.19 0.00 -0.44 0.00 0.00 34.13 33.84 2qpq s GLU 225 CO 0.30 -0.17 0.70 -0.11 0.95 0.00 0.00 175.26 176.92 2qpq n LEU 226 N 1.65 -3.11 -4.77 1.83 7.94 0.28 -5.03 117.00 115.80 2qpq n LEU 226 Ca -0.19 -3.10 -0.38 0.00 -1.11 0.00 0.00 56.01 51.23 2qpq n LEU 226 Cb 0.56 0.74 -0.06 0.00 0.53 0.00 0.00 43.42 45.20 2qpq n LEU 226 CO 0.20 1.94 0.10 0.21 -1.11 0.00 0.00 177.39 178.72 2qpq s ASN 227 N 0.60 6.67 -0.33 1.96 3.84 -1.25 -4.35 114.94 122.08 2qpq s ASN 227 Ca 0.30 0.79 -0.25 0.00 0.21 0.00 0.00 52.86 53.92 2qpq s ASN 227 Cb 0.02 -2.25 0.01 0.00 -0.55 0.00 0.00 41.25 38.48 2qpq s ASN 227 CO -0.08 0.15 0.85 -1.58 -2.79 0.00 0.00 177.10 173.65 2qpq s GLN 228 N -0.04 3.92 0.57 0.43 0.74 -0.84 -4.91 119.66 119.53 2qpq s GLN 228 Ca 0.23 0.60 -0.05 0.00 0.05 0.00 0.00 55.36 56.19 2qpq s GLN 228 Cb -0.15 -3.76 0.01 0.00 1.10 0.00 0.00 33.01 30.21 2qpq s GLN 228 CO 0.10 -0.78 0.87 1.67 -0.55 0.00 0.00 175.29 176.59 2qpq s TRP 229 N 3.16 3.23 -0.08 1.67 1.48 -1.26 -0.84 118.94 126.30 2qpq s TRP 229 Ca 0.35 0.58 -0.04 0.00 -1.06 0.00 0.00 56.10 55.93 2qpq s TRP 229 Cb -0.13 -2.70 0.04 0.00 -1.16 0.00 0.00 33.47 29.52 2qpq s TRP 229 CO 0.15 -0.78 0.18 -1.01 -4.06 0.00 0.00 176.95 171.43 2qpq s HIS 230 N -2.94 -0.23 0.06 1.66 3.76 -0.47 -1.82 115.29 115.31 2qpq s HIS 230 Ca 0.53 0.60 -0.03 0.00 -0.15 0.00 0.00 55.06 56.01 2qpq s HIS 230 Cb -0.10 -0.05 0.01 0.00 1.11 0.00 0.00 32.58 33.55 2qpq s HIS 230 CO 0.44 -0.20 0.17 0.41 -0.85 0.00 0.00 174.74 174.71 2qpq n GLY 231 N 4.28 1.55 3.25 -2.22 0.00 -0.36 -0.63 105.19 111.07 2qpq n GLY 231 Ca -0.25 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.43 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 2.08 0.22 0.99 1.43 -0.40 -0.21 118.68 122.78 2qpq s LEU 232 Ca 0.04 -0.53 0.11 0.00 -1.03 0.00 0.00 54.13 52.71 2qpq s LEU 232 Cb -0.01 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 2qpq s LEU 232 CO 0.02 0.22 -0.16 -0.76 0.23 0.00 0.00 176.35 175.90 2qpq s LEU 233 N -0.01 2.72 0.39 1.79 1.43 -0.14 -0.82 118.68 124.03 2qpq s LEU 233 Ca -0.08 -0.79 0.08 0.00 -1.03 0.00 0.00 54.13 52.31 2qpq s LEU 233 Cb -0.15 -1.37 -0.08 0.00 0.03 0.00 0.00 46.19 44.63 2qpq s LEU 233 CO 0.05 0.09 -0.02 0.68 0.23 0.00 0.00 176.35 177.38 2qpq s VAL 234 N -1.93 2.06 0.33 -1.59 -7.23 0.95 -0.43 120.40 112.55 2qpq s VAL 234 Ca 0.25 -2.06 -0.26 0.00 -1.81 0.00 0.00 61.98 58.09 2qpq s VAL 234 Cb -0.07 -2.89 -0.13 0.00 0.56 0.00 0.00 36.38 33.84 2qpq s VAL 234 CO 0.14 -0.06 0.89 -2.65 -0.31 0.00 0.00 175.10 173.10 2qpq n PRO 235 N -0.91 1.10 -0.24 4.82 -0.02 -1.26 -0.39 135.00 138.10 2qpq n PRO 235 Ca -0.05 0.39 0.21 0.00 -2.02 0.00 0.00 63.50 62.03 2qpq n PRO 235 Cb 0.66 -1.75 0.54 0.00 -0.02 0.00 0.00 33.50 32.93 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 1.62 0.79 1.28 -1.23 0.00 -0.86 -1.29 103.07 103.38 2qpq h GLY 236 Ca -0.39 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.77 2qpq h GLY 236 CO 0.58 -0.02 -0.02 0.00 0.00 0.00 0.00 176.54 177.08 2qpq n ALA 237 N -2.54 2.59 -2.14 3.60 0.00 -1.26 -4.57 120.51 116.19 2qpq n ALA 237 Ca 0.20 -0.18 -0.42 0.00 0.00 0.00 0.00 53.44 53.03 2qpq n ALA 237 Cb 0.75 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 2qpq n ALA 237 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2qpq s THR 238 N -2.41 3.24 0.28 0.00 -1.32 -0.49 -4.88 115.64 110.05 2qpq s THR 238 Ca 0.33 0.89 -0.29 0.00 -1.21 0.00 0.00 61.69 61.42 2qpq s THR 238 Cb 0.21 -3.57 -0.14 0.00 -1.51 0.00 0.00 72.50 67.49 2qpq s THR 238 CO 0.44 0.07 1.14 -2.65 -2.21 0.00 0.00 174.62 171.42 2qpq n PRO 239 N 3.87 1.58 -0.32 7.08 -0.02 -1.26 -4.78 135.00 141.15 2qpq n PRO 239 Ca 0.11 0.56 0.18 0.00 -2.02 0.00 0.00 63.50 62.33 2qpq n PRO 239 Cb 0.42 -2.03 0.42 0.00 -0.02 0.00 0.00 33.50 32.29 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 2.59 0.55 -0.56 -0.52 1.85 -1.97 -1.14 114.93 115.73 2qpq h MET 240 Ca -0.42 -0.03 0.05 0.00 -0.61 0.00 0.00 59.70 58.68 2qpq h MET 240 Cb 1.32 -0.12 -0.03 0.00 0.43 0.00 0.00 31.60 33.19 2qpq h MET 240 CO 0.64 0.36 0.37 0.00 -0.40 0.00 0.00 176.91 177.89 2qpq h ALA 241 N 1.64 1.78 -0.11 0.39 0.00 -1.99 0.16 119.26 121.13 2qpq h ALA 241 Ca 0.57 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.35 2qpq h ALA 241 Cb 1.17 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2qpq h ALA 241 CO -0.33 0.14 -0.38 0.28 0.00 0.00 0.00 179.25 178.96 2qpq h VAL 242 N 0.59 1.38 -0.69 0.00 2.07 -1.57 -2.43 116.25 115.60 2qpq h VAL 242 Ca 0.23 -1.70 0.05 0.00 0.82 0.00 0.00 66.70 66.10 2qpq h VAL 242 Cb 0.18 2.16 -0.05 0.00 -1.52 0.00 0.00 31.29 32.06 2qpq h VAL 242 CO -0.06 0.51 0.40 0.03 0.02 0.00 0.00 177.57 178.47 2qpq h ARG 243 N 0.03 0.74 -0.88 1.57 3.08 -0.99 -0.84 114.38 117.08 2qpq h ARG 243 Ca -0.02 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2qpq h ARG 243 Cb 1.01 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.85 2qpq h ARG 243 CO 0.08 0.49 0.56 1.96 -1.07 0.00 0.00 179.97 181.98 2qpq h GLN 244 N 0.76 1.19 -0.16 0.04 1.08 -0.73 -0.21 115.11 117.07 2qpq h GLN 244 Ca 0.30 -0.09 -0.08 0.00 -1.45 0.00 0.00 58.65 57.32 2qpq h GLN 244 Cb 0.14 -0.26 -0.00 0.00 -0.05 0.00 0.00 27.48 27.31 2qpq h GLN 244 CO -0.16 0.81 -0.23 -0.22 -0.95 0.00 0.00 178.83 178.08 2qpq h LYS 245 N 1.21 0.45 -0.22 1.46 3.11 -1.05 0.76 116.57 122.28 2qpq h LYS 245 Ca 0.32 -0.26 0.06 0.00 -2.81 0.00 0.00 60.65 57.96 2qpq h LYS 245 Cb -0.09 0.02 -0.07 0.00 -1.00 0.00 0.00 32.23 31.10 2qpq h LYS 245 CO -0.06 0.85 -0.22 -0.07 -2.81 0.00 0.00 179.45 177.13 2qpq h LEU 246 N 0.08 -0.69 -0.33 5.20 3.38 -1.15 -2.06 115.31 119.74 2qpq h LEU 246 Ca 0.02 0.13 0.07 0.00 0.09 0.00 0.00 57.88 58.19 2qpq h LEU 246 Cb 0.79 0.33 -0.07 0.00 0.09 0.00 0.00 40.66 41.80 2qpq h LEU 246 CO 0.05 -0.26 -0.14 0.22 0.09 0.00 0.00 178.44 178.41 2qpq h TYR 247 N -0.23 -0.33 -0.39 1.13 3.20 -0.88 -1.13 116.97 118.34 2qpq h TYR 247 Ca 0.13 0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.09 2qpq h TYR 247 Cb 0.43 0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.84 2qpq h TYR 247 CO -0.37 -0.21 0.08 -0.44 -1.64 0.00 0.00 178.16 175.59 2qpq h ASP 248 N -0.08 0.02 -0.44 -2.11 3.32 -0.60 0.33 116.42 116.87 2qpq h ASP 248 Ca 0.17 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.23 2qpq h ASP 248 Cb 0.33 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 2qpq h ASP 248 CO -0.39 0.05 0.09 1.23 -1.72 0.00 0.00 179.24 178.50 2qpq h GLY 249 N 0.21 0.76 1.44 2.75 0.00 -1.12 -2.09 103.07 105.03 2qpq h GLY 249 Ca 0.19 -0.49 -0.21 0.00 0.00 0.00 0.00 47.33 46.81 2qpq h GLY 249 CO -0.24 0.46 -0.81 -2.22 0.00 0.00 0.00 176.54 173.73 2qpq h ILE 250 N 0.58 1.35 -0.29 2.60 2.04 -0.83 -2.94 117.51 120.01 2qpq h ILE 250 Ca 0.13 -2.16 -0.00 0.00 1.00 0.00 0.00 64.86 63.83 2qpq h ILE 250 Cb 0.35 2.15 -0.01 0.00 -0.74 0.00 0.00 36.82 38.57 2qpq h ILE 250 CO 0.00 0.66 0.18 0.00 0.00 0.00 0.00 178.15 179.00 2qpq h ALA 251 N 0.75 1.77 -0.46 1.87 0.00 -0.25 -0.57 119.26 122.37 2qpq h ALA 251 Ca -0.05 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 2qpq h ALA 251 Cb 1.42 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 2qpq h ALA 251 CO 0.15 0.21 -0.15 -0.22 0.00 0.00 0.00 179.25 179.24 2qpq h LYS 252 N 0.40 0.88 -0.60 0.00 3.64 -1.27 -1.67 116.57 117.95 2qpq h LYS 252 Ca 0.11 -0.33 -0.01 0.00 -1.27 0.00 0.00 60.65 59.14 2qpq h LYS 252 Cb -0.02 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 2qpq h LYS 252 CO -0.02 0.97 0.32 0.28 -2.27 0.00 0.00 179.45 178.73 2qpq h VAL 253 N 0.78 1.20 0.00 2.00 2.07 -0.99 -2.86 116.25 118.45 2qpq h VAL 253 Ca 0.12 -0.52 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 2qpq h VAL 253 Cb 0.68 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2qpq h VAL 253 CO 0.05 0.22 -0.21 0.24 0.02 0.00 0.00 177.57 177.89 2qpq h MET 254 N 0.82 0.00 0.00 1.57 2.86 -0.94 -2.51 114.93 116.73 2qpq h MET 254 Ca 0.21 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.85 2qpq h MET 254 Cb 0.07 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 2qpq h MET 254 CO -0.03 0.21 -0.02 1.96 1.06 0.00 0.00 176.91 180.09 2qpq h GLN 255 N 0.00 0.00 -6.89 1.72 4.20 -1.07 -3.40 115.11 109.66 2qpq h GLN 255 Ca -0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.17 2qpq h GLN 255 Cb 0.72 0.00 0.10 0.00 0.30 0.00 0.00 27.48 28.60 2qpq h GLN 255 CO 0.03 0.02 0.80 1.03 -0.67 0.00 0.00 178.83 180.04 2qpq s ARG 256 N -3.67 4.13 0.21 1.46 0.52 -0.95 -4.90 118.95 115.76 2qpq s ARG 256 Ca 0.01 2.54 -0.05 0.00 -0.52 0.00 0.00 55.73 57.71 2qpq s ARG 256 Cb 0.09 -3.00 0.17 0.00 0.52 0.00 0.00 34.95 32.74 2qpq s ARG 256 CO 0.55 -0.54 1.64 -0.44 0.02 0.00 0.00 175.30 176.54 2qpq h ASP 257 N 3.62 0.85 -0.24 0.23 3.32 -1.90 -0.53 116.42 121.78 2qpq h ASP 257 Ca -0.49 -0.28 -0.14 0.00 0.02 0.00 0.00 57.03 56.13 2qpq h ASP 257 Cb 1.23 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 2qpq h ASP 257 CO 0.69 1.00 -0.37 -2.24 -1.72 0.00 0.00 179.24 176.60 2qpq h ASP 258 N 0.75 0.82 -0.28 6.45 3.04 -1.96 -0.29 116.42 124.96 2qpq h ASP 258 Ca 0.12 -0.36 -0.04 0.00 -3.24 0.00 0.00 57.03 53.50 2qpq h ASP 258 Cb 0.67 -0.23 -0.01 0.00 -1.04 0.00 0.00 39.33 38.72 2qpq h ASP 258 CO 0.05 1.11 0.00 0.58 -2.04 0.00 0.00 179.24 178.94 2qpq h VAL 259 N 0.64 1.26 -0.51 4.15 2.07 -1.81 -0.63 116.25 121.42 2qpq h VAL 259 Ca 0.06 -0.92 0.03 0.00 0.82 0.00 0.00 66.70 66.69 2qpq h VAL 259 Cb 0.93 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 2qpq h VAL 259 CO 0.08 0.29 0.29 1.56 0.02 0.00 0.00 177.57 179.81 2qpq h GLN 260 N 0.29 0.54 -0.27 1.57 1.08 -0.98 -0.98 115.11 116.36 2qpq h GLN 260 Ca 0.08 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.22 2qpq h GLN 260 Cb 0.42 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 2qpq h GLN 260 CO 0.01 0.36 0.06 -0.22 -0.95 0.00 0.00 178.83 178.09 2qpq h LYS 261 N 0.56 0.43 -0.52 1.46 3.64 -0.97 -0.64 116.57 120.54 2qpq h LYS 261 Ca 0.22 -0.11 0.03 0.00 -1.27 0.00 0.00 60.65 59.51 2qpq h LYS 261 Cb 0.08 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 2qpq h LYS 261 CO -0.12 0.53 0.31 -0.22 -2.27 0.00 0.00 179.45 177.68 2qpq h LYS 262 N 0.26 0.59 -0.22 1.90 3.64 -0.73 -1.29 116.57 120.73 2qpq h LYS 262 Ca 0.08 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.33 2qpq h LYS 262 Cb 0.30 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2qpq h LYS 262 CO 0.00 0.39 -0.26 -0.07 -2.27 0.00 0.00 179.45 177.25 2qpq h LEU 263 N 0.61 0.61 -0.70 5.20 4.07 -1.13 -2.87 115.31 121.10 2qpq h LEU 263 Ca 0.21 -0.49 0.10 0.00 0.08 0.00 0.00 57.88 57.78 2qpq h LEU 263 Cb 0.03 -0.17 -0.08 0.00 1.08 0.00 0.00 40.66 41.52 2qpq h LEU 263 CO -0.10 0.98 0.32 0.00 -1.08 0.00 0.00 178.44 178.56 2qpq h ALA 264 N 0.65 0.95 0.00 1.53 0.00 -0.95 -1.46 119.26 119.97 2qpq h ALA 264 Ca 0.03 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2qpq h ALA 264 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2qpq h ALA 264 CO 0.06 -0.11 0.00 -0.25 0.00 0.00 0.00 179.25 178.95 2qpq n ASP 265 N -4.92 0.64 -0.10 0.00 8.00 -0.50 -1.92 116.55 117.76 2qpq n ASP 265 Ca 0.11 0.65 0.09 0.00 0.71 0.00 0.00 54.79 56.35 2qpq n ASP 265 Cb 0.30 -0.79 -0.09 0.00 -0.02 0.00 0.00 41.12 40.53 2qpq n ASP 265 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2qpq n LEU 266 N -2.20 1.10 0.00 0.64 4.77 -0.86 -4.99 117.00 115.47 2qpq n LEU 266 Ca 0.03 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 2qpq n LEU 266 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2qpq n LEU 266 CO 0.21 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2qpq n GLY 267 N 1.42 0.92 3.91 -0.72 0.00 -0.81 -4.26 105.19 105.65 2qpq n GLY 267 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.00 3.49 -0.15 1.61 2.02 -0.61 -4.64 117.35 117.08 2qpq s TYR 268 Ca 0.00 0.67 -0.04 0.00 -0.37 0.00 0.00 57.07 57.33 2qpq s TYR 268 Cb 0.00 -2.14 -0.03 0.00 -0.40 0.00 0.00 41.96 39.39 2qpq s TYR 268 CO 0.00 0.05 -0.02 -1.12 -1.57 0.00 0.00 175.55 172.89 2qpq s SER 269 N -3.49 4.99 0.41 2.29 0.01 -0.12 -3.96 113.70 113.84 2qpq s SER 269 Ca 0.45 -0.05 -0.23 0.00 1.31 0.00 0.00 55.95 57.42 2qpq s SER 269 Cb -0.10 -1.75 -0.09 0.00 0.21 0.00 0.00 66.02 64.29 2qpq s SER 269 CO 0.34 0.20 1.04 -0.89 0.41 0.00 0.00 173.24 174.34 2qpq s THR 270 N 0.16 3.78 0.28 1.44 2.01 -1.26 -0.05 115.64 121.99 2qpq s THR 270 Ca -0.00 1.30 0.02 0.00 0.31 0.00 0.00 61.69 63.33 2qpq s THR 270 Cb -0.13 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 2qpq s THR 270 CO 0.02 -0.05 0.15 0.00 -0.69 0.00 0.00 174.62 174.06 2qpq s ALA 271 N -1.74 1.75 -0.42 7.40 0.00 0.07 -4.82 121.76 123.99 2qpq s ALA 271 Ca 0.60 -1.79 0.08 0.00 0.00 0.00 0.00 51.96 50.84 2qpq s ALA 271 Cb -0.20 1.21 0.36 0.00 0.00 0.00 0.00 23.12 24.49 2qpq s ALA 271 CO 0.25 -0.53 1.27 0.45 0.00 0.00 0.00 175.76 177.20 2qpq n SER 272 N -0.77 -2.06 -4.69 0.00 2.88 -0.90 -4.32 113.62 103.77 2qpq n SER 272 Ca 0.02 -2.90 -0.42 0.00 -1.33 0.00 0.00 58.87 54.24 2qpq n SER 272 Cb 0.65 1.35 -0.03 0.00 -0.75 0.00 0.00 64.21 65.43 2qpq n SER 272 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2qpq s ASP 273 N -1.21 7.13 1.14 -3.46 1.01 -0.93 -4.90 116.67 115.46 2qpq s ASP 273 Ca 0.22 1.39 -0.17 0.00 0.71 0.00 0.00 52.55 54.70 2qpq s ASP 273 Cb 0.36 -2.51 0.26 0.00 1.01 0.00 0.00 42.92 42.04 2qpq s ASP 273 CO -0.08 -0.37 1.10 -0.83 0.21 0.00 0.00 175.17 175.20 2qpq s GLY 274 N 1.07 1.57 0.27 0.21 0.00 -1.26 -1.55 107.32 107.63 2qpq s GLY 274 Ca 0.44 -0.74 -0.05 0.00 0.00 0.00 0.00 44.72 44.37 2qpq s GLY 274 CO 0.17 0.05 1.60 -2.55 0.00 0.00 0.00 173.10 172.38 2qpq h PRO 275 N -2.38 0.05 -0.02 2.90 0.11 -1.55 0.51 132.00 131.63 2qpq h PRO 275 Ca -0.49 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 2qpq h PRO 275 Cb 1.31 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2qpq h PRO 275 CO 0.42 0.03 -0.19 0.93 -0.21 0.00 0.00 178.00 178.99 2qpq h GLU 276 N 0.05 0.17 -0.21 1.05 5.08 -1.88 -1.21 114.58 117.63 2qpq h GLU 276 Ca 0.47 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.66 2qpq h GLU 276 Cb 0.85 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 2qpq h GLU 276 CO -0.80 0.84 0.05 0.28 -1.00 0.00 0.00 179.01 178.38 2qpq h VAL 277 N -0.45 1.20 -0.64 3.13 2.07 -1.84 -0.98 116.25 118.73 2qpq h VAL 277 Ca -0.02 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 2qpq h VAL 277 Cb 0.89 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 2qpq h VAL 277 CO 0.04 0.20 0.29 0.15 0.02 0.00 0.00 177.57 178.27 2qpq h PHE 278 N 0.15 0.94 -0.96 1.57 3.57 -1.00 -0.97 116.94 120.24 2qpq h PHE 278 Ca 0.07 -0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.53 2qpq h PHE 278 Cb 0.26 -0.29 -0.05 0.00 2.79 0.00 0.00 35.95 38.66 2qpq h PHE 278 CO 0.01 0.72 0.64 0.37 -2.23 0.00 0.00 178.31 177.81 2qpq h GLN 279 N 0.89 1.25 -0.51 1.11 5.75 -0.97 0.02 115.11 122.65 2qpq h GLN 279 Ca 0.22 -0.07 -0.06 0.00 -0.15 0.00 0.00 58.65 58.58 2qpq h GLN 279 Cb 0.15 -0.28 -0.02 0.00 1.07 0.00 0.00 27.48 28.40 2qpq h GLN 279 CO -0.02 0.82 0.07 -0.22 -2.65 0.00 0.00 178.83 176.83 2qpq h LYS 280 N 1.28 0.85 -0.17 1.69 3.64 -0.88 -2.29 116.57 120.69 2qpq h LYS 280 Ca 0.36 -0.24 0.03 0.00 -1.27 0.00 0.00 60.65 59.53 2qpq h LYS 280 Cb -0.12 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.58 2qpq h LYS 280 CO -0.09 0.85 -0.01 0.52 -2.27 0.00 0.00 179.45 178.45 2qpq h MET 281 N 0.73 0.04 -0.53 1.90 2.86 -0.41 -0.30 114.93 119.22 2qpq h MET 281 Ca 0.15 -0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.83 2qpq h MET 281 Cb 0.42 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.03 2qpq h MET 281 CO 0.01 0.03 0.28 0.28 1.06 0.00 0.00 176.91 178.57 2qpq h VAL 282 N 0.04 0.98 -0.23 -2.22 2.07 -0.91 -0.14 116.25 115.84 2qpq h VAL 282 Ca 0.08 -0.19 -0.19 0.00 0.82 0.00 0.00 66.70 67.22 2qpq h VAL 282 Cb 0.10 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2qpq h VAL 282 CO -0.14 0.10 -0.61 -0.33 0.02 0.00 0.00 177.57 176.61 2qpq h GLU 283 N 0.55 0.77 -0.36 1.57 5.08 -1.14 -0.15 114.58 120.89 2qpq h GLU 283 Ca 0.23 -0.52 -0.10 0.00 -1.00 0.00 0.00 59.36 57.96 2qpq h GLU 283 Cb 0.11 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2qpq h GLU 283 CO -0.14 1.15 -0.19 1.79 -1.00 0.00 0.00 179.01 180.61 2qpq h THR 284 N 0.57 1.26 -0.22 1.13 1.35 -0.85 -2.29 112.91 113.87 2qpq h THR 284 Ca -0.00 -1.26 -0.17 0.00 -0.55 0.00 0.00 66.41 64.43 2qpq h THR 284 Cb 1.21 1.19 -0.00 0.00 -1.73 0.00 0.00 68.15 68.82 2qpq h THR 284 CO 0.13 0.42 -0.56 0.44 -0.25 0.00 0.00 175.52 175.69 2qpq h ASP 285 N 0.61 0.76 -0.60 5.36 3.32 -0.86 -1.33 116.42 123.67 2qpq h ASP 285 Ca 0.09 -0.41 0.09 0.00 0.02 0.00 0.00 57.03 56.83 2qpq h ASP 285 Cb 0.66 -0.22 -0.07 0.00 0.22 0.00 0.00 39.33 39.92 2qpq h ASP 285 CO 0.05 1.16 0.22 0.40 -1.72 0.00 0.00 179.24 179.34 2qpq h ILE 286 N 0.52 0.77 -0.39 0.35 2.04 -0.90 0.65 117.51 120.55 2qpq h ILE 286 Ca 0.01 -0.14 -0.07 0.00 1.00 0.00 0.00 64.86 65.66 2qpq h ILE 286 Cb 1.13 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 2qpq h ILE 286 CO 0.11 0.07 -0.03 0.44 0.00 0.00 0.00 178.15 178.74 2qpq h ASP 287 N 0.40 0.71 0.15 1.72 3.32 -1.17 -0.53 116.42 121.02 2qpq h ASP 287 Ca 0.30 -0.33 -0.23 0.00 0.02 0.00 0.00 57.03 56.80 2qpq h ASP 287 Cb 0.37 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 39.74 2qpq h ASP 287 CO -0.31 0.87 -0.89 0.08 -1.72 0.00 0.00 179.24 177.26 2qpq h ARG 288 N 0.53 0.55 -0.32 3.56 0.11 -1.02 -1.72 114.38 116.07 2qpq h ARG 288 Ca 0.11 -0.53 -0.10 0.00 0.10 0.00 0.00 59.98 59.55 2qpq h ARG 288 Cb 0.52 0.14 -0.01 0.00 1.11 0.00 0.00 29.97 31.73 2qpq h ARG 288 CO 0.03 1.16 -0.20 0.74 0.10 0.00 0.00 179.97 181.80 2qpq h PHE 289 N 0.34 0.82 -0.85 4.08 0.04 -0.85 -1.96 116.94 118.55 2qpq h PHE 289 Ca -0.08 -0.22 0.03 0.00 2.80 0.00 0.00 57.97 60.50 2qpq h PHE 289 Cb 1.52 -0.18 -0.05 0.00 2.20 0.00 0.00 35.95 39.44 2qpq h PHE 289 CO 0.07 0.94 0.55 0.77 -0.60 0.00 0.00 178.31 180.04 2qpq h SER 290 N 0.47 0.93 -0.44 2.17 0.02 -1.05 -0.19 113.55 115.47 2qpq h SER 290 Ca 0.07 -0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.03 2qpq h SER 290 Cb 0.74 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.03 2qpq h SER 290 CO 0.06 0.65 0.24 0.00 -1.14 0.00 0.00 176.83 176.63 2qpq h ALA 291 N 1.34 0.55 -0.18 3.77 0.00 -1.22 0.26 119.26 123.79 2qpq h ALA 291 Ca 0.33 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 2qpq h ALA 291 Cb -0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2qpq h ALA 291 CO -0.10 -0.10 -0.01 1.25 0.00 0.00 0.00 179.25 180.29 2qpq h LEU 292 N 0.48 0.33 -0.50 0.00 5.85 -0.91 -1.31 115.31 119.25 2qpq h LEU 292 Ca 0.18 -0.33 -0.16 0.00 0.84 0.00 0.00 57.88 58.41 2qpq h LEU 292 Cb 0.05 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 2qpq h LEU 292 CO -0.11 0.58 -0.74 0.74 -0.34 0.00 0.00 178.44 178.57 2qpq h THR 293 N 0.07 1.48 -0.41 1.05 2.02 -0.93 -1.04 112.91 115.14 2qpq h THR 293 Ca 0.05 -2.39 -0.03 0.00 0.77 0.00 0.00 66.41 64.81 2qpq h THR 293 Cb 0.42 2.29 -0.02 0.00 -1.74 0.00 0.00 68.15 69.10 2qpq h THR 293 CO 0.01 0.69 0.14 0.50 0.37 0.00 0.00 175.52 177.24 2qpq h LYS 294 N 0.08 0.63 -0.59 6.66 3.64 -0.40 -1.19 116.57 125.39 2qpq h LYS 294 Ca -0.02 -0.13 0.06 0.00 -1.27 0.00 0.00 60.65 59.29 2qpq h LYS 294 Cb 1.30 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.97 2qpq h LYS 294 CO 0.11 0.61 0.30 0.37 -2.27 0.00 0.00 179.45 178.56 2qpq h GLN 295 N 0.52 0.55 -0.01 1.90 5.75 -0.41 -2.37 115.11 121.04 2qpq h GLN 295 Ca 0.13 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.60 2qpq h GLN 295 Cb 0.23 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.65 2qpq h GLN 295 CO -0.01 0.36 -0.22 0.44 -2.65 0.00 0.00 178.83 176.75 2qpq n ILE 296 N -4.86 0.00 -2.11 2.39 -5.35 -0.47 -4.94 119.36 104.01 2qpq n ILE 296 Ca 0.07 -0.10 -0.07 0.00 -0.27 0.00 0.00 62.75 62.38 2qpq n ILE 296 Cb 0.17 0.23 -0.00 0.00 -1.74 0.00 0.00 39.64 38.30 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 1.33 0.10 3.67 3.28 0.00 -0.59 -5.00 105.19 107.98 2qpq n GLY 297 Ca 0.12 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.96 4.17 0.08 0.99 2.96 -0.55 -5.03 118.68 119.33 2qpq s LEU 298 Ca 0.00 0.92 0.05 0.00 -0.22 0.00 0.00 54.13 54.88 2qpq s LEU 298 Cb 0.00 -2.95 -0.03 0.00 0.50 0.00 0.00 46.19 43.71 2qpq s LEU 298 CO 0.00 -0.27 -0.14 -0.54 -1.32 0.00 0.00 176.35 174.09 2qpq s LYS 299 N 1.79 0.84 -0.00 1.98 -0.14 -1.26 -4.46 119.74 118.48 2qpq s LYS 299 Ca 0.31 -0.99 0.07 0.00 -1.36 0.00 0.00 55.97 54.00 2qpq s LYS 299 Cb -0.16 -0.81 -0.08 0.00 -1.68 0.00 0.00 37.83 35.10 2qpq s LYS 299 CO 0.11 0.18 0.28 0.28 -0.76 0.00 0.00 175.35 175.44 2qpq n VAL 300 N 1.17 0.00 -0.82 3.17 0.31 0.60 -5.04 118.33 117.73 2qpq n VAL 300 Ca -0.20 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 2qpq n VAL 300 Cb 0.55 0.94 0.00 0.00 -0.91 0.00 0.00 33.84 34.42 2qpq n VAL 300 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61